data_5GLS # _entry.id 5GLS # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.295 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 5GLS WWPDB D_1300001023 # _pdbx_database_PDB_obs_spr.id SPRSDE _pdbx_database_PDB_obs_spr.date 2016-07-27 _pdbx_database_PDB_obs_spr.pdb_id 5GLS _pdbx_database_PDB_obs_spr.replace_pdb_id 4S0Y _pdbx_database_PDB_obs_spr.details ? # _pdbx_database_status.status_code REL _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.entry_id 5GLS _pdbx_database_status.recvd_initial_deposition_date 2016-07-12 _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 'Tiwari, P.' 1 'Singh, P.K.' 2 'Sirohi, H.V.' 3 'Kaur, P.' 4 'Sharma, S.' 5 'Singh, T.P.' 6 # _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.angle_alpha 90.00 _cell.angle_alpha_esd ? _cell.angle_beta 102.30 _cell.angle_beta_esd ? _cell.angle_gamma 90.00 _cell.angle_gamma_esd ? _cell.entry_id 5GLS _cell.details ? _cell.formula_units_Z ? _cell.length_a 54.005 _cell.length_a_esd ? _cell.length_b 79.834 _cell.length_b_esd ? _cell.length_c 76.126 _cell.length_c_esd ? _cell.volume ? _cell.volume_esd ? _cell.Z_PDB 2 _cell.reciprocal_angle_alpha ? _cell.reciprocal_angle_beta ? _cell.reciprocal_angle_gamma ? _cell.reciprocal_angle_alpha_esd ? _cell.reciprocal_angle_beta_esd ? _cell.reciprocal_angle_gamma_esd ? _cell.reciprocal_length_a ? _cell.reciprocal_length_b ? _cell.reciprocal_length_c ? _cell.reciprocal_length_a_esd ? _cell.reciprocal_length_b_esd ? _cell.reciprocal_length_c_esd ? _cell.pdbx_unique_axis ? # _symmetry.entry_id 5GLS _symmetry.cell_setting ? _symmetry.Int_Tables_number 4 _symmetry.space_group_name_Hall ? _symmetry.space_group_name_H-M 'P 1 21 1' _symmetry.pdbx_full_space_group_name_H-M ? # 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 nat Lactoperoxidase 67839.344 1 1.11.1.7 ? ? ? 2 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 5 ? ? ? ? 3 non-polymer syn 'CALCIUM ION' 40.078 1 ? ? ? ? 4 non-polymer syn 'PROTOPORPHYRIN IX CONTAINING FE' 616.487 1 ? ? ? ? 5 non-polymer syn 'THIOCYANATE ION' 58.082 1 ? ? ? ? 6 non-polymer syn 'IODIDE ION' 126.904 18 ? ? ? ? 7 non-polymer syn '1-(OXIDOSULFANYL)METHANAMINE' 79.122 2 ? ? ? ? 8 non-polymer syn GLYCEROL 92.094 1 ? ? ? ? 9 water nat water 18.015 346 ? ? ? ? # _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)LASRLRNLSSPLGLMAVNQEAWDHGLAYLPFNNKKPSP CEFINTTARVPCFLAGDSRASEQILLATAHTLLLREHNRLARELKKLNPHWNGEKLYQEARKILGAFIQIITFRDYLPIV LGSEMQKWIPPYQGYNNSVDPRISNVFTFAFRFGHMEVPSTVSRLDENYQPWGPEAELPLHTLFFNTWRIIKDGGIDPLV RGLLAKKSKLMNQKKMVTSELRNKLFQPTHKIHGFDLAAINLQRCRDHGMPGYNSWRGFCGLSQPKTLKGLQTVLKNKIL AKKLMDLYKTPDNIDIWIGGNAEPMVERGRVGPLLACLLGRQFQQIRDGDRFWWENPGVFTEKQRDSLQKMSFSRLICDN THITKVPLHAFQANNYPHDFVDCSTVDKLDLSPWASREN ; _entity_poly.pdbx_seq_one_letter_code_can ;SWEVGCGAPVPLVKCDENSPYRTITGDCNNRRSPALGAANRALARWLPAEYEDGLALPFGWTQRKTRNGFRVPLAREVSN KIVGYLDEEGVLDQNRSLLFMQWGQIVDHDLDFAPETELGSNEHSKTQCEEYCIQGDNCFPIMFPKNDPKLKTQGKCMPF FRAGFVCPTPPYQSLAREQINAVTSFLDASLVYGSEPSLASRLRNLSSPLGLMAVNQEAWDHGLAYLPFNNKKPSPCEFI 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 TRP 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_nat.entity_id 1 _entity_src_nat.pdbx_src_id 1 _entity_src_nat.pdbx_alt_source_flag sample _entity_src_nat.pdbx_beg_seq_num 1 _entity_src_nat.pdbx_end_seq_num 595 _entity_src_nat.common_name Bovine _entity_src_nat.pdbx_organism_scientific 'Bos taurus' _entity_src_nat.pdbx_ncbi_taxonomy_id 9913 _entity_src_nat.genus ? _entity_src_nat.species ? _entity_src_nat.strain ? _entity_src_nat.tissue ? _entity_src_nat.tissue_fraction ? _entity_src_nat.pdbx_secretion ? _entity_src_nat.pdbx_fragment ? _entity_src_nat.pdbx_variant ? _entity_src_nat.pdbx_cell_line ? _entity_src_nat.pdbx_atcc ? _entity_src_nat.pdbx_cellular_location ? _entity_src_nat.pdbx_organ ? _entity_src_nat.pdbx_organelle ? _entity_src_nat.pdbx_cell ? _entity_src_nat.pdbx_plasmid_name ? _entity_src_nat.pdbx_plasmid_details ? _entity_src_nat.details ? # _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 5GLS _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 5GLS SER A 254 ? UNP P80025 PHE 371 conflict 254 1 1 5GLS LYS A 410 ? UNP P80025 ASP 527 conflict 410 2 1 5GLS MET A 547 ? UNP P80025 VAL 664 conflict 547 3 # 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 GOL non-polymer . GLYCEROL 'GLYCERIN; PROPANE-1,2,3-TRIOL' 'C3 H8 O3' 92.094 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 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SCN non-polymer . 'THIOCYANATE ION' ? 'C N S -1' 58.082 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 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 5GLS _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 2.32 _exptl_crystal.density_method ? _exptl_crystal.density_percent_sol 47 _exptl_crystal.description rectangular _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 298.0 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.temp_esd ? _exptl_crystal_grow.time ? _exptl_crystal_grow.pdbx_details 'Ammonium Iodide, PEG, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K' _exptl_crystal_grow.pdbx_pH_range 5-8 # _diffrn.ambient_environment ? _diffrn.ambient_temp 100 _diffrn.ambient_temp_details ? _diffrn.ambient_temp_esd ? _diffrn.crystal_id 1 _diffrn.crystal_support ? _diffrn.crystal_treatment ? _diffrn.details ? _diffrn.id 1 _diffrn.ambient_pressure ? _diffrn.ambient_pressure_esd ? _diffrn.ambient_pressure_gt ? _diffrn.ambient_pressure_lt ? _diffrn.ambient_temp_gt ? _diffrn.ambient_temp_lt ? # _diffrn_detector.details 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 2014-11-15 # _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 0.97 _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 0.97 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_synchrotron_beamline BM14 _diffrn_source.pdbx_synchrotron_site ESRF # _reflns.B_iso_Wilson_estimate 26.4 _reflns.entry_id 5GLS _reflns.data_reduction_details ? _reflns.data_reduction_method ? _reflns.d_resolution_high 1.93 _reflns.d_resolution_low 50.00 _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 47548 _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 100 _reflns.R_free_details ? _reflns.Rmerge_F_all ? _reflns.Rmerge_F_obs ? _reflns.Friedel_coverage ? _reflns.number_gt ? _reflns.threshold_expression ? _reflns.pdbx_redundancy 4.6 _reflns.pdbx_Rmerge_I_obs ? _reflns.pdbx_Rmerge_I_all ? _reflns.pdbx_Rsym_value 0.08 _reflns.pdbx_netI_over_av_sigmaI ? _reflns.pdbx_netI_over_sigmaI 24.2 _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 1.93 _reflns_shell.d_res_low 1.96 _reflns_shell.meanI_over_sigI_all ? _reflns_shell.meanI_over_sigI_obs 2.2 _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 100 _reflns_shell.percent_possible_obs ? _reflns_shell.Rmerge_F_all ? _reflns_shell.Rmerge_F_obs ? _reflns_shell.Rmerge_I_all ? _reflns_shell.Rmerge_I_obs ? _reflns_shell.meanI_over_sigI_gt ? _reflns_shell.meanI_over_uI_all ? _reflns_shell.meanI_over_uI_gt ? _reflns_shell.number_measured_gt ? _reflns_shell.number_unique_gt ? _reflns_shell.percent_possible_gt ? _reflns_shell.Rmerge_F_gt ? _reflns_shell.Rmerge_I_gt ? _reflns_shell.pdbx_redundancy 4.4 _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.aniso_B[1][1] -0.13 _refine.aniso_B[1][2] -0.00 _refine.aniso_B[1][3] -0.47 _refine.aniso_B[2][2] -2.38 _refine.aniso_B[2][3] -0.00 _refine.aniso_B[3][3] 2.48 _refine.B_iso_max ? _refine.B_iso_mean 40.953 _refine.B_iso_min ? _refine.correlation_coeff_Fo_to_Fc 0.958 _refine.correlation_coeff_Fo_to_Fc_free 0.935 _refine.details 'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS' _refine.diff_density_max ? _refine.diff_density_max_esd ? _refine.diff_density_min ? _refine.diff_density_min_esd ? _refine.diff_density_rms ? _refine.diff_density_rms_esd ? _refine.entry_id 5GLS _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.ls_abs_structure_details ? _refine.ls_abs_structure_Flack ? _refine.ls_abs_structure_Flack_esd ? _refine.ls_abs_structure_Rogers ? _refine.ls_abs_structure_Rogers_esd ? _refine.ls_d_res_high 1.93 _refine.ls_d_res_low 50.00 _refine.ls_extinction_coef ? _refine.ls_extinction_coef_esd ? _refine.ls_extinction_expression ? _refine.ls_extinction_method ? _refine.ls_goodness_of_fit_all ? _refine.ls_goodness_of_fit_all_esd ? _refine.ls_goodness_of_fit_obs ? _refine.ls_goodness_of_fit_obs_esd ? _refine.ls_hydrogen_treatment ? _refine.ls_matrix_type ? _refine.ls_number_constraints ? _refine.ls_number_parameters ? _refine.ls_number_reflns_all ? _refine.ls_number_reflns_obs 45122 _refine.ls_number_reflns_R_free 2406 _refine.ls_number_reflns_R_work ? _refine.ls_number_restraints ? _refine.ls_percent_reflns_obs 99.96 _refine.ls_percent_reflns_R_free 5.1 _refine.ls_R_factor_all ? _refine.ls_R_factor_obs 0.19459 _refine.ls_R_factor_R_free 0.24548 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_R_factor_R_work 0.19181 _refine.ls_R_Fsqd_factor_obs ? _refine.ls_R_I_factor_obs ? _refine.ls_redundancy_reflns_all ? _refine.ls_redundancy_reflns_obs ? _refine.ls_restrained_S_all ? _refine.ls_restrained_S_obs ? _refine.ls_shift_over_esd_max ? _refine.ls_shift_over_esd_mean ? _refine.ls_structure_factor_coef ? _refine.ls_weighting_details ? _refine.ls_weighting_scheme ? _refine.ls_wR_factor_all ? _refine.ls_wR_factor_obs ? _refine.ls_wR_factor_R_free ? _refine.ls_wR_factor_R_work ? _refine.occupancy_max ? _refine.occupancy_min ? _refine.solvent_model_details ? _refine.solvent_model_param_bsol ? _refine.solvent_model_param_ksol ? _refine.ls_R_factor_gt ? _refine.ls_goodness_of_fit_gt ? _refine.ls_goodness_of_fit_ref ? _refine.ls_shift_over_su_max ? _refine.ls_shift_over_su_max_lt ? _refine.ls_shift_over_su_mean ? _refine.ls_shift_over_su_mean_lt ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F ? _refine.pdbx_ls_sigma_Fsqd ? _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_starting_model 4S0Y _refine.pdbx_stereochemistry_target_values ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_overall_ESU_R 0.177 _refine.pdbx_overall_ESU_R_Free 0.165 _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_real_space_R ? _refine.pdbx_density_correlation ? _refine.pdbx_pd_number_of_powder_patterns ? _refine.pdbx_pd_number_of_points ? _refine.pdbx_pd_meas_number_of_points ? _refine.pdbx_pd_proc_ls_prof_R_factor ? _refine.pdbx_pd_proc_ls_prof_wR_factor ? _refine.pdbx_pd_Marquardt_correlation_coeff ? _refine.pdbx_pd_Fsqrd_R_factor ? _refine.pdbx_pd_ls_matrix_band_width ? _refine.pdbx_overall_phase_error ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_TLS_residual_ADP_flag ? _refine.pdbx_diffrn_id 1 _refine.overall_SU_B 4.743 _refine.overall_SU_ML 0.135 _refine.overall_SU_R_Cruickshank_DPI ? _refine.overall_SU_R_free ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set ? _refine.pdbx_average_fsc_overall ? _refine.pdbx_average_fsc_work ? _refine.pdbx_average_fsc_free ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id 1 _refine_hist.pdbx_number_atoms_protein 4771 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 149 _refine_hist.number_atoms_solvent 346 _refine_hist.number_atoms_total 5266 _refine_hist.d_res_high 1.93 _refine_hist.d_res_low 50.00 # loop_ _refine_ls_restr.pdbx_refine_id _refine_ls_restr.criterion _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.number _refine_ls_restr.rejects _refine_ls_restr.type _refine_ls_restr.weight _refine_ls_restr.pdbx_restraint_function 'X-RAY DIFFRACTION' ? 0.019 0.019 5073 ? r_bond_refined_d ? ? 'X-RAY DIFFRACTION' ? 0.003 0.020 4752 ? r_bond_other_d ? ? 'X-RAY DIFFRACTION' ? 2.092 1.986 6883 ? r_angle_refined_deg ? ? 'X-RAY DIFFRACTION' ? 1.158 3.000 10933 ? r_angle_other_deg ? ? 'X-RAY DIFFRACTION' ? 7.966 5.000 596 ? r_dihedral_angle_1_deg ? ? 'X-RAY DIFFRACTION' ? 37.819 23.750 240 ? r_dihedral_angle_2_deg ? ? 'X-RAY DIFFRACTION' ? 15.933 15.000 826 ? r_dihedral_angle_3_deg ? ? 'X-RAY DIFFRACTION' ? 16.672 15.000 38 ? r_dihedral_angle_4_deg ? ? 'X-RAY DIFFRACTION' ? 0.129 0.200 728 ? r_chiral_restr ? ? 'X-RAY DIFFRACTION' ? 0.011 0.021 5693 ? r_gen_planes_refined ? ? 'X-RAY DIFFRACTION' ? 0.006 0.020 1211 ? r_gen_planes_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_nbd_refined ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_nbd_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_nbtor_refined ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_nbtor_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_xyhbond_nbd_refined ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_xyhbond_nbd_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_metal_ion_refined ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_metal_ion_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_symmetry_vdw_refined ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_symmetry_vdw_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_symmetry_hbond_refined ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_symmetry_hbond_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_symmetry_metal_ion_refined ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_symmetry_metal_ion_other ? ? 'X-RAY DIFFRACTION' ? 4.075 3.955 2387 ? r_mcbond_it ? ? 'X-RAY DIFFRACTION' ? 4.057 3.953 2383 ? r_mcbond_other ? ? 'X-RAY DIFFRACTION' ? 6.091 5.914 2977 ? r_mcangle_it ? ? 'X-RAY DIFFRACTION' ? 6.085 5.921 2976 ? r_mcangle_other ? ? 'X-RAY DIFFRACTION' ? 3.945 4.271 2686 ? r_scbond_it ? ? 'X-RAY DIFFRACTION' ? 3.945 4.271 2686 ? r_scbond_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_scangle_it ? ? 'X-RAY DIFFRACTION' ? 5.996 6.317 3906 ? r_scangle_other ? ? 'X-RAY DIFFRACTION' ? 8.944 32.181 6288 ? r_long_range_B_refined ? ? 'X-RAY DIFFRACTION' ? 8.944 32.180 6289 ? r_long_range_B_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_rigid_bond_restr ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_sphericity_free ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_sphericity_bonded ? ? # _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_ls_shell.d_res_high 1.930 _refine_ls_shell.d_res_low 1.980 _refine_ls_shell.number_reflns_all ? _refine_ls_shell.number_reflns_obs ? _refine_ls_shell.number_reflns_R_free 187 _refine_ls_shell.number_reflns_R_work 3270 _refine_ls_shell.percent_reflns_obs 99.80 _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.R_factor_all ? _refine_ls_shell.R_factor_obs ? _refine_ls_shell.R_factor_R_free 0.310 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.R_factor_R_work 0.280 _refine_ls_shell.redundancy_reflns_all ? _refine_ls_shell.redundancy_reflns_obs ? _refine_ls_shell.wR_factor_all ? _refine_ls_shell.wR_factor_obs ? _refine_ls_shell.wR_factor_R_free ? _refine_ls_shell.wR_factor_R_work ? _refine_ls_shell.pdbx_total_number_of_bins_used 20 _refine_ls_shell.pdbx_phase_error ? _refine_ls_shell.pdbx_fsc_work ? _refine_ls_shell.pdbx_fsc_free ? # _struct.entry_id 5GLS _struct.title 'Structure of bovine Lactoperoxidase with a partially modified covalent bond with heme moiety' _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 5GLS _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 2 ? D N N 2 ? E N N 2 ? F N N 2 ? G N N 3 ? H N N 4 ? I N N 5 ? J N N 6 ? K N N 6 ? L N N 6 ? M N N 6 ? N N N 6 ? O N N 6 ? P N N 6 ? Q N N 6 ? R N N 6 ? S N N 6 ? T N N 6 ? U N N 6 ? V N N 6 ? W N N 6 ? X N N 6 ? Y N N 6 ? Z N N 6 ? AA N N 6 ? BA N N 7 ? CA N N 7 ? DA N N 8 ? EA 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 ? GLY A 155 ? ASP A 148 GLY A 155 1 ? 8 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 ? LEU A 203 ? GLU A 196 LEU A 203 1 ? 8 HELX_P HELX_P7 AA7 SER A 235 ? ILE A 240 ? SER A 235 ILE A 240 1 ? 6 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 ? ? ? ? ? ? ? 2.007 ? disulf2 disulf ? ? A CYS 15 SG ? ? ? 1_555 A CYS 28 SG ? ? A CYS 15 A CYS 28 1_555 ? ? ? ? ? ? ? 2.026 ? disulf3 disulf ? ? A CYS 129 SG ? ? ? 1_555 A CYS 139 SG ? ? A CYS 129 A CYS 139 1_555 ? ? ? ? ? ? ? 2.029 ? disulf4 disulf ? ? A CYS 133 SG ? ? ? 1_555 A CYS 157 SG ? ? A CYS 133 A CYS 157 1_555 ? ? ? ? ? ? ? 2.073 ? disulf5 disulf ? ? A CYS 237 SG ? ? ? 1_555 A CYS 248 SG ? ? A CYS 237 A CYS 248 1_555 ? ? ? ? ? ? ? 2.052 ? disulf6 disulf ? ? A CYS 456 SG ? ? ? 1_555 A CYS 513 SG ? ? A CYS 456 A CYS 513 1_555 ? ? ? ? ? ? ? 2.054 ? disulf7 disulf ? ? A CYS 554 SG ? ? ? 1_555 A CYS 579 SG ? ? A CYS 554 A CYS 579 1_555 ? ? ? ? ? ? ? 2.021 ? covale1 covale one ? A ASN 95 ND2 ? ? ? 1_555 B NAG . C1 ? ? A ASN 95 A NAG 701 1_555 ? ? ? ? ? ? ? 1.418 ? metalc1 metalc ? ? A ASP 110 O ? ? ? 1_555 G CA . CA ? ? A ASP 110 A CA 706 1_555 ? ? ? ? ? ? ? 2.313 ? metalc2 metalc ? ? A ASP 110 OD1 ? ? ? 1_555 G CA . CA ? ? A ASP 110 A CA 706 1_555 ? ? ? ? ? ? ? 2.300 ? metalc3 metalc ? ? A THR 184 O ? ? ? 1_555 G CA . CA ? ? A THR 184 A CA 706 1_555 ? ? ? ? ? ? ? 2.384 ? metalc4 metalc ? ? A THR 184 OG1 ? ? ? 1_555 G CA . CA ? ? A THR 184 A CA 706 1_555 ? ? ? ? ? ? ? 2.367 ? metalc5 metalc ? ? A PHE 186 O ? ? ? 1_555 G CA . CA ? ? A PHE 186 A CA 706 1_555 ? ? ? ? ? ? ? 2.273 ? metalc6 metalc ? ? A ASP 188 OD1 ? ? ? 1_555 G CA . CA ? ? A ASP 188 A CA 706 1_555 ? ? ? ? ? ? ? 2.348 ? metalc7 metalc ? ? A SER 190 OG ? ? ? 1_555 G CA . CA ? ? A SER 190 A CA 706 1_555 ? ? ? ? ? ? ? 2.329 ? covale2 covale both ? A PRO 197 C ? ? ? 1_555 A SEP 198 N ? ? A PRO 197 A SEP 198 1_555 ? ? ? ? ? ? ? 1.311 ? covale3 covale both ? A SEP 198 C ? ? ? 1_555 A LEU 199 N ? ? A SEP 198 A LEU 199 1_555 ? ? ? ? ? ? ? 1.332 ? covale4 covale one ? A ASN 205 ND2 ? ? ? 1_555 C NAG . C1 ? ? A ASN 205 A NAG 702 1_555 ? ? ? ? ? ? ? 1.450 ? covale5 covale one ? A ASN 241 ND2 ? ? ? 1_555 D NAG . C1 ? ? A ASN 241 A NAG 703 1_555 ? ? ? ? ? ? ? 1.407 ? covale6 covale one ? A ASN 332 ND2 ? ? ? 1_555 F NAG . C1 ? ? A ASN 332 A NAG 705 1_555 ? ? ? ? ? ? ? 1.444 ? metalc8 metalc ? ? A HIS 351 NE2 ? ? ? 1_555 H HEM . FE ? ? A HIS 351 A HEM 707 1_555 ? ? ? ? ? ? ? 1.979 ? covale7 covale both ? D NAG . O4 ? ? ? 1_555 E NAG . C1 ? ? A NAG 703 A NAG 704 1_555 ? ? ? ? ? ? ? 1.417 ? # 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 5.06 2 PRO 9 A . ? PRO 9 A VAL 10 A ? VAL 10 A 1 -10.73 3 TYR 172 A . ? TYR 172 A GLN 173 A ? GLN 173 A 1 -13.33 4 LYS 233 A . ? LYS 233 A PRO 234 A ? PRO 234 A 1 17.64 5 TYR 572 A . ? TYR 572 A PRO 573 A ? PRO 573 A 1 -6.91 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details AA1 ? 2 ? AA2 ? 2 ? AA3 ? 2 ? AA4 ? 2 ? AA5 ? 2 ? AA6 ? 2 ? AA7 ? 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 AA6 1 2 ? anti-parallel AA7 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 ARG A 204 ? ASN A 205 ? ARG A 204 ASN A 205 AA4 2 LEU A 212 ? MET A 213 ? LEU A 212 MET A 213 AA5 1 THR A 357 ? SER A 359 ? THR A 357 SER A 359 AA5 2 GLU A 373 ? PRO A 375 ? GLU A 373 PRO A 375 AA6 1 LEU A 421 ? PHE A 422 ? LEU A 421 PHE A 422 AA6 2 HIS A 429 ? PHE A 431 ? HIS A 429 PHE A 431 AA7 1 LYS A 561 ? VAL A 562 ? LYS A 561 VAL A 562 AA7 2 VAL A 577 ? ASP A 578 ? VAL A 577 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 ASN A 205 ? N ASN A 205 O LEU A 212 ? O LEU A 212 AA5 1 2 N VAL A 358 ? N VAL A 358 O LEU A 374 ? O LEU A 374 AA6 1 2 N LEU A 421 ? N LEU A 421 O PHE A 431 ? O PHE A 431 AA7 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 CA 706 ? 5 'binding site for residue CA A 706' AC2 Software A HEM 707 ? 23 'binding site for residue HEM A 707' AC3 Software A SCN 708 ? 3 'binding site for residue SCN A 708' AC4 Software A IOD 709 ? 5 'binding site for residue IOD A 709' AC5 Software A IOD 710 ? 2 'binding site for residue IOD A 710' AC6 Software A IOD 711 ? 1 'binding site for residue IOD A 711' AC7 Software A IOD 712 ? 2 'binding site for residue IOD A 712' AC8 Software A IOD 713 ? 3 'binding site for residue IOD A 713' AC9 Software A IOD 714 ? 3 'binding site for residue IOD A 714' AD1 Software A IOD 715 ? 2 'binding site for residue IOD A 715' AD2 Software A IOD 716 ? 3 'binding site for residue IOD A 716' AD3 Software A IOD 717 ? 1 'binding site for residue IOD A 717' AD4 Software A IOD 718 ? 1 'binding site for residue IOD A 718' AD5 Software A IOD 719 ? 2 'binding site for residue IOD A 719' AD6 Software A IOD 720 ? 3 'binding site for residue IOD A 720' AD7 Software A IOD 721 ? 3 'binding site for residue IOD A 721' AD8 Software A IOD 722 ? 2 'binding site for residue IOD A 722' AD9 Software A IOD 723 ? 1 'binding site for residue IOD A 723' AE1 Software A IOD 724 ? 2 'binding site for residue IOD A 724' AE2 Software A IOD 725 ? 2 'binding site for residue IOD A 725' AE3 Software A IOD 726 ? 1 'binding site for residue IOD A 726' AE4 Software A OSM 727 ? 7 'binding site for residue OSM A 727' AE5 Software A OSM 728 ? 4 'binding site for residue OSM A 728' AE6 Software A GOL 729 ? 4 'binding site for residue GOL A 729' AE7 Software A NAG 701 ? 3 'binding site for Mono-Saccharide NAG A 701 bound to ASN A 95' AE8 Software A NAG 702 ? 7 'binding site for Mono-Saccharide NAG A 702 bound to ASN A 205' AE9 Software A ASN 241 ? 6 'binding site for Poly-Saccharide residues NAG A 703 through NAG A 704 bound to ASN A 241' AF1 Software A NAG 705 ? 3 'binding site for Mono-Saccharide NAG A 705 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 ASP A 110 ? ASP A 110 . ? 1_555 ? 2 AC1 5 THR A 184 ? THR A 184 . ? 1_555 ? 3 AC1 5 PHE A 186 ? PHE A 186 . ? 1_555 ? 4 AC1 5 ASP A 188 ? ASP A 188 . ? 1_555 ? 5 AC1 5 SER A 190 ? SER A 190 . ? 1_555 ? 6 AC2 23 MET A 101 ? MET A 101 . ? 1_555 ? 7 AC2 23 GLY A 104 ? GLY A 104 . ? 1_555 ? 8 AC2 23 GLN A 105 ? GLN A 105 . ? 1_555 ? 9 AC2 23 ASP A 108 ? ASP A 108 . ? 1_555 ? 10 AC2 23 ASP A 112 ? ASP A 112 . ? 1_555 ? 11 AC2 23 PHE A 113 ? PHE A 113 . ? 1_555 ? 12 AC2 23 ALA A 114 ? ALA A 114 . ? 1_555 ? 13 AC2 23 ARG A 255 ? ARG A 255 . ? 1_555 ? 14 AC2 23 GLU A 258 ? GLU A 258 . ? 1_555 ? 15 AC2 23 GLN A 259 ? GLN A 259 . ? 1_555 ? 16 AC2 23 THR A 344 ? THR A 344 . ? 1_555 ? 17 AC2 23 PHE A 347 ? PHE A 347 . ? 1_555 ? 18 AC2 23 ARG A 348 ? ARG A 348 . ? 1_555 ? 19 AC2 23 GLY A 350 ? GLY A 350 . ? 1_555 ? 20 AC2 23 HIS A 351 ? HIS A 351 . ? 1_555 ? 21 AC2 23 LEU A 417 ? LEU A 417 . ? 1_555 ? 22 AC2 23 LEU A 433 ? LEU A 433 . ? 1_555 ? 23 AC2 23 ILE A 436 ? ILE A 436 . ? 1_555 ? 24 AC2 23 ARG A 440 ? ARG A 440 . ? 1_555 ? 25 AC2 23 IOD J . ? IOD A 709 . ? 1_555 ? 26 AC2 23 HOH EA . ? HOH A 811 . ? 1_555 ? 27 AC2 23 HOH EA . ? HOH A 814 . ? 1_555 ? 28 AC2 23 HOH EA . ? HOH A 892 . ? 1_555 ? 29 AC3 3 ARG A 96 ? ARG A 96 . ? 1_555 ? 30 AC3 3 NAG B . ? NAG A 701 . ? 1_555 ? 31 AC3 3 HOH EA . ? HOH A 881 . ? 1_555 ? 32 AC4 5 GLN A 105 ? GLN A 105 . ? 1_555 ? 33 AC4 5 HIS A 109 ? HIS A 109 . ? 1_555 ? 34 AC4 5 GLU A 258 ? GLU A 258 . ? 1_555 ? 35 AC4 5 HEM H . ? HEM A 707 . ? 1_555 ? 36 AC4 5 HOH EA . ? HOH A 801 . ? 1_555 ? 37 AC5 2 TRP A 530 ? TRP A 530 . ? 1_555 ? 38 AC5 2 IOD L . ? IOD A 711 . ? 1_555 ? 39 AC6 1 IOD K . ? IOD A 710 . ? 1_555 ? 40 AC7 2 TRP A 46 ? TRP A 46 . ? 1_555 ? 41 AC7 2 VAL A 342 ? VAL A 342 . ? 1_555 ? 42 AC8 3 IOD O . ? IOD A 714 . ? 1_555 ? 43 AC8 3 HOH EA . ? HOH A 860 . ? 1_555 ? 44 AC8 3 HOH EA . ? HOH A 1138 . ? 1_555 ? 45 AC9 3 ASN A 80 ? ASN A 80 . ? 1_555 ? 46 AC9 3 PRO A 145 ? PRO A 145 . ? 1_555 ? 47 AC9 3 IOD N . ? IOD A 713 . ? 1_555 ? 48 AD1 2 TRP A 46 ? TRP A 46 . ? 1_555 ? 49 AD1 2 VAL A 342 ? VAL A 342 . ? 1_555 ? 50 AD2 3 ARG A 31 ? ARG A 31 . ? 1_555 ? 51 AD2 3 IOD U . ? IOD A 720 . ? 1_555 ? 52 AD2 3 HOH EA . ? HOH A 926 . ? 1_555 ? 53 AD3 1 THR A 66 ? THR A 66 . ? 1_555 ? 54 AD4 1 PRO A 197 ? PRO A 197 . ? 1_555 ? 55 AD5 2 SER A 359 ? SER A 359 . ? 1_555 ? 56 AD5 2 HOH EA . ? HOH A 937 . ? 1_555 ? 57 AD6 3 TYR A 331 ? TYR A 331 . ? 1_555 ? 58 AD6 3 IOD Q . ? IOD A 716 . ? 1_555 ? 59 AD6 3 HOH EA . ? HOH A 1120 . ? 1_555 ? 60 AD7 3 LYS A 462 ? LYS A 462 . ? 1_555 ? 61 AD7 3 THR A 463 ? THR A 463 . ? 1_555 ? 62 AD7 3 IOD W . ? IOD A 722 . ? 1_555 ? 63 AD8 2 IOD V . ? IOD A 721 . ? 1_555 ? 64 AD8 2 HOH EA . ? HOH A 1123 . ? 1_555 ? 65 AD9 1 HIS A 377 ? HIS A 377 . ? 1_555 ? 66 AE1 2 PRO A 236 ? PRO A 236 . ? 1_555 ? 67 AE1 2 IOD Z . ? IOD A 725 . ? 1_555 ? 68 AE2 2 THR A 425 ? THR A 425 . ? 1_555 ? 69 AE2 2 IOD Y . ? IOD A 724 . ? 1_555 ? 70 AE3 1 ASN A 419 ? ASN A 419 . ? 1_555 ? 71 AE4 7 GLU A 363 ? GLU A 363 . ? 1_555 ? 72 AE4 7 TYR A 365 ? TYR A 365 . ? 1_555 ? 73 AE4 7 ARG A 397 ? ARG A 397 . ? 1_555 ? 74 AE4 7 HIS A 558 ? HIS A 558 . ? 1_555 ? 75 AE4 7 ILE A 559 ? ILE A 559 . ? 1_555 ? 76 AE4 7 THR A 560 ? THR A 560 . ? 1_555 ? 77 AE4 7 LYS A 561 ? LYS A 561 . ? 1_555 ? 78 AE5 4 ASN A 216 ? ASN A 216 . ? 1_555 ? 79 AE5 4 GLN A 217 ? GLN A 217 . ? 1_555 ? 80 AE5 4 GLU A 218 ? GLU A 218 . ? 1_555 ? 81 AE5 4 PHE A 229 ? PHE A 229 . ? 1_555 ? 82 AE6 4 SEP A 198 ? SEP A 198 . ? 1_555 ? 83 AE6 4 LEU A 199 ? LEU A 199 . ? 1_555 ? 84 AE6 4 ARG A 202 ? ARG A 202 . ? 1_555 ? 85 AE6 4 LYS A 474 ? LYS A 474 . ? 1_455 ? 86 AE7 3 ASN A 95 ? ASN A 95 . ? 1_555 ? 87 AE7 3 ILE A 315 ? ILE A 315 . ? 1_555 ? 88 AE7 3 SCN I . ? SCN A 708 . ? 1_555 ? 89 AE8 7 ASN A 205 ? ASN A 205 . ? 1_555 ? 90 AE8 7 SER A 208 ? SER A 208 . ? 1_555 ? 91 AE8 7 ALA A 214 ? ALA A 214 . ? 1_555 ? 92 AE8 7 VAL A 215 ? VAL A 215 . ? 1_555 ? 93 AE8 7 GLN A 217 ? GLN A 217 . ? 1_555 ? 94 AE8 7 HOH EA . ? HOH A 857 . ? 1_555 ? 95 AE8 7 HOH EA . ? HOH A 885 . ? 1_555 ? 96 AE9 6 ASN A 241 ? ASN A 241 . ? 1_555 ? 97 AE9 6 ALA A 244 ? ALA A 244 . ? 1_555 ? 98 AE9 6 TRP A 384 ? TRP A 384 . ? 1_555 ? 99 AE9 6 HOH EA . ? HOH A 824 . ? 1_555 ? 100 AE9 6 HOH EA . ? HOH A 945 . ? 1_555 ? 101 AE9 6 HOH EA . ? HOH A 1059 . ? 1_555 ? 102 AF1 3 ASN A 332 ? ASN A 332 . ? 1_555 ? 103 AF1 3 HOH EA . ? HOH A 804 . ? 1_555 ? 104 AF1 3 HOH EA . ? HOH A 806 . ? 1_555 ? # _atom_sites.entry_id 5GLS _atom_sites.fract_transf_matrix[1][1] 0.018517 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.004036 _atom_sites.fract_transf_matrix[2][1] -0.000000 _atom_sites.fract_transf_matrix[2][2] 0.012526 _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] 0.013445 _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 ? -24.563 -33.980 33.360 1.00 147.79 ? 1 SER A N 1 ATOM 2 C CA . SER A 1 1 ? -25.753 -33.150 32.996 1.00 149.31 ? 1 SER A CA 1 ATOM 3 C C . SER A 1 1 ? -25.474 -31.651 33.168 1.00 158.76 ? 1 SER A C 1 ATOM 4 O O . SER A 1 1 ? -25.273 -31.178 34.292 1.00 159.05 ? 1 SER A O 1 ATOM 5 C CB . SER A 1 1 ? -26.960 -33.548 33.850 1.00 144.40 ? 1 SER A CB 1 ATOM 6 O OG . SER A 1 1 ? -27.186 -34.944 33.800 1.00 142.89 ? 1 SER A OG 1 ATOM 7 N N . TRP A 1 2 ? -25.486 -30.827 32.137 1.00 168.11 ? 2 TRP A N 1 ATOM 8 C CA . TRP A 1 2 ? -25.187 -29.434 32.469 1.00 165.90 ? 2 TRP A CA 1 ATOM 9 C C . TRP A 1 2 ? -26.171 -29.032 33.554 1.00 155.24 ? 2 TRP A C 1 ATOM 10 O O . TRP A 1 2 ? -27.386 -29.220 33.388 1.00 149.04 ? 2 TRP A O 1 ATOM 11 C CB . TRP A 1 2 ? -25.406 -28.505 31.260 1.00 169.00 ? 2 TRP A CB 1 ATOM 12 C CG . TRP A 1 2 ? -24.377 -27.413 31.093 1.00 170.26 ? 2 TRP A CG 1 ATOM 13 C CD1 . TRP A 1 2 ? -23.429 -27.061 31.982 1.00 166.20 ? 2 TRP A CD1 1 ATOM 14 C CD2 . TRP A 1 2 ? -24.217 -26.523 29.963 1.00 170.05 ? 2 TRP A CD2 1 ATOM 15 N NE1 . TRP A 1 2 ? -22.675 -26.032 31.496 1.00 167.80 ? 2 TRP A NE1 1 ATOM 16 C CE2 . TRP A 1 2 ? -23.143 -25.671 30.260 1.00 166.21 ? 2 TRP A CE2 1 ATOM 17 C CE3 . TRP A 1 2 ? -24.881 -26.371 28.733 1.00 162.70 ? 2 TRP A CE3 1 ATOM 18 C CZ2 . TRP A 1 2 ? -22.686 -24.689 29.362 1.00 155.74 ? 2 TRP A CZ2 1 ATOM 19 C CZ3 . TRP A 1 2 ? -24.451 -25.393 27.861 1.00 153.32 ? 2 TRP A CZ3 1 ATOM 20 C CH2 . TRP A 1 2 ? -23.353 -24.558 28.179 1.00 149.97 ? 2 TRP A CH2 1 ATOM 21 N N . GLU A 1 3 ? -25.690 -28.355 34.600 1.00 143.68 ? 3 GLU A N 1 ATOM 22 C CA . GLU A 1 3 ? -26.626 -27.666 35.479 1.00 132.42 ? 3 GLU A CA 1 ATOM 23 C C . GLU A 1 3 ? -26.898 -26.473 34.632 1.00 135.08 ? 3 GLU A C 1 ATOM 24 O O . GLU A 1 3 ? -26.415 -25.376 34.850 1.00 140.22 ? 3 GLU A O 1 ATOM 25 C CB . GLU A 1 3 ? -26.018 -27.211 36.790 1.00 120.68 ? 3 GLU A CB 1 ATOM 26 C CG . GLU A 1 3 ? -24.683 -27.836 37.095 1.00 115.42 ? 3 GLU A CG 1 ATOM 27 C CD . GLU A 1 3 ? -23.513 -26.922 36.779 1.00 110.99 ? 3 GLU A CD 1 ATOM 28 O OE1 . GLU A 1 3 ? -23.507 -26.289 35.720 1.00 88.45 ? 3 GLU A OE1 1 ATOM 29 O OE2 . GLU A 1 3 ? -22.598 -26.863 37.626 1.00 118.19 ? 3 GLU A OE2 1 ATOM 30 N N . VAL A 1 4 ? -27.579 -26.846 33.553 1.00 130.36 ? 4 VAL A N 1 ATOM 31 C CA . VAL A 1 4 ? -28.244 -26.018 32.583 1.00 121.63 ? 4 VAL A CA 1 ATOM 32 C C . VAL A 1 4 ? -29.675 -26.481 32.770 1.00 120.49 ? 4 VAL A C 1 ATOM 33 O O . VAL A 1 4 ? -29.945 -27.659 33.003 1.00 111.68 ? 4 VAL A O 1 ATOM 34 C CB . VAL A 1 4 ? -27.779 -26.325 31.152 1.00 113.98 ? 4 VAL A CB 1 ATOM 35 C CG1 . VAL A 1 4 ? -27.794 -27.825 30.899 1.00 108.75 ? 4 VAL A CG1 1 ATOM 36 C CG2 . VAL A 1 4 ? -28.656 -25.599 30.143 1.00 120.06 ? 4 VAL A CG2 1 ATOM 37 N N . GLY A 1 5 ? -30.581 -25.530 32.673 1.00 121.94 ? 5 GLY A N 1 ATOM 38 C CA . GLY A 1 5 ? -31.811 -25.473 33.404 1.00 119.00 ? 5 GLY A CA 1 ATOM 39 C C . GLY A 1 5 ? -31.560 -24.465 34.508 1.00 123.55 ? 5 GLY A C 1 ATOM 40 O O . GLY A 1 5 ? -31.977 -24.644 35.673 1.00 113.07 ? 5 GLY A O 1 ATOM 41 N N . CYS A 1 6 ? -30.784 -23.448 34.104 1.00 129.81 ? 6 CYS A N 1 ATOM 42 C CA . CYS A 1 6 ? -30.871 -22.093 34.610 1.00 120.03 ? 6 CYS A CA 1 ATOM 43 C C . CYS A 1 6 ? -31.027 -21.248 33.344 1.00 118.39 ? 6 CYS A C 1 ATOM 44 O O . CYS A 1 6 ? -30.501 -21.621 32.296 1.00 103.29 ? 6 CYS A O 1 ATOM 45 C CB . CYS A 1 6 ? -29.598 -21.709 35.360 1.00 114.75 ? 6 CYS A CB 1 ATOM 46 S SG . CYS A 1 6 ? -29.536 -19.981 35.888 1.00 117.12 ? 6 CYS A SG 1 ATOM 47 N N . GLY A 1 7 ? -31.757 -20.137 33.409 1.00 30.00 ? 7 GLY A N 1 ATOM 48 C CA . GLY A 1 7 ? -32.328 -19.624 34.641 1.00 30.00 ? 7 GLY A CA 1 ATOM 49 C C . GLY A 1 7 ? -33.823 -19.387 34.533 1.00 30.00 ? 7 GLY A C 1 ATOM 50 O O . GLY A 1 7 ? -34.439 -19.811 33.578 1.00 30.00 ? 7 GLY A O 1 ATOM 51 N N . ALA A 1 8 ? -34.412 -18.733 35.524 1.00 134.65 ? 8 ALA A N 1 ATOM 52 C CA . ALA A 1 8 ? -35.864 -18.573 35.583 1.00 128.14 ? 8 ALA A CA 1 ATOM 53 C C . ALA A 1 8 ? -36.371 -17.785 34.374 1.00 124.74 ? 8 ALA A C 1 ATOM 54 O O . ALA A 1 8 ? -37.448 -18.106 33.843 1.00 137.26 ? 8 ALA A O 1 ATOM 55 C CB . ALA A 1 8 ? -36.321 -17.978 36.899 1.00 122.91 ? 8 ALA A CB 1 ATOM 56 N N . PRO A 1 9 ? -35.527 -16.758 33.900 1.00 110.33 ? 9 PRO A N 1 ATOM 57 C CA . PRO A 1 9 ? -35.983 -16.209 32.602 1.00 105.12 ? 9 PRO A CA 1 ATOM 58 C C . PRO A 1 9 ? -35.669 -17.258 31.510 1.00 102.87 ? 9 PRO A C 1 ATOM 59 O O . PRO A 1 9 ? -35.675 -18.424 31.839 1.00 91.37 ? 9 PRO A O 1 ATOM 60 C CB . PRO A 1 9 ? -35.129 -14.923 32.416 1.00 104.24 ? 9 PRO A CB 1 ATOM 61 C CG . PRO A 1 9 ? -34.666 -14.543 33.785 1.00 104.04 ? 9 PRO A CG 1 ATOM 62 C CD . PRO A 1 9 ? -34.362 -15.865 34.384 1.00 109.83 ? 9 PRO A CD 1 ATOM 63 N N . VAL A 1 10 ? -35.496 -16.906 30.245 1.00 108.77 ? 10 VAL A N 1 ATOM 64 C CA . VAL A 1 10 ? -35.792 -15.606 29.731 1.00 105.30 ? 10 VAL A CA 1 ATOM 65 C C . VAL A 1 10 ? -37.125 -15.898 29.123 1.00 106.48 ? 10 VAL A C 1 ATOM 66 O O . VAL A 1 10 ? -37.407 -17.048 28.779 1.00 104.50 ? 10 VAL A O 1 ATOM 67 C CB . VAL A 1 10 ? -34.815 -15.228 28.627 1.00 99.56 ? 10 VAL A CB 1 ATOM 68 C CG1 . VAL A 1 10 ? -35.323 -13.986 27.901 1.00 90.01 ? 10 VAL A CG1 1 ATOM 69 C CG2 . VAL A 1 10 ? -33.446 -15.016 29.227 1.00 98.33 ? 10 VAL A CG2 1 ATOM 70 N N . PRO A 1 11 ? -37.991 -14.919 29.007 1.00 105.97 ? 11 PRO A N 1 ATOM 71 C CA . PRO A 1 11 ? -39.354 -15.402 28.769 1.00 101.43 ? 11 PRO A CA 1 ATOM 72 C C . PRO A 1 11 ? -39.260 -16.136 27.479 1.00 100.03 ? 11 PRO A C 1 ATOM 73 O O . PRO A 1 11 ? -39.098 -15.572 26.422 1.00 100.84 ? 11 PRO A O 1 ATOM 74 C CB . PRO A 1 11 ? -40.148 -14.124 28.579 1.00 99.83 ? 11 PRO A CB 1 ATOM 75 C CG . PRO A 1 11 ? -39.200 -13.234 27.887 1.00 99.61 ? 11 PRO A CG 1 ATOM 76 C CD . PRO A 1 11 ? -37.994 -13.408 28.698 1.00 104.43 ? 11 PRO A CD 1 ATOM 77 N N . LEU A 1 12 ? -39.336 -17.445 27.586 1.00 98.61 ? 12 LEU A N 1 ATOM 78 C CA . LEU A 1 12 ? -38.985 -18.272 26.477 1.00 93.03 ? 12 LEU A CA 1 ATOM 79 C C . LEU A 1 12 ? -39.950 -17.959 25.397 1.00 90.57 ? 12 LEU A C 1 ATOM 80 O O . LEU A 1 12 ? -41.084 -17.654 25.669 1.00 85.77 ? 12 LEU A O 1 ATOM 81 C CB . LEU A 1 12 ? -39.033 -19.736 26.844 1.00 89.06 ? 12 LEU A CB 1 ATOM 82 C CG . LEU A 1 12 ? -38.184 -20.485 25.831 1.00 88.83 ? 12 LEU A CG 1 ATOM 83 C CD1 . LEU A 1 12 ? -36.956 -21.094 26.465 1.00 87.07 ? 12 LEU A CD1 1 ATOM 84 C CD2 . LEU A 1 12 ? -38.987 -21.530 25.075 1.00 87.85 ? 12 LEU A CD2 1 ATOM 85 N N . VAL A 1 13 ? -39.479 -17.971 24.165 1.00 91.75 ? 13 VAL A N 1 ATOM 86 C CA . VAL A 1 13 ? -40.378 -17.651 23.039 1.00 88.42 ? 13 VAL A CA 1 ATOM 87 C C . VAL A 1 13 ? -40.526 -18.849 22.098 1.00 83.74 ? 13 VAL A C 1 ATOM 88 O O . VAL A 1 13 ? -39.917 -19.903 22.322 1.00 89.80 ? 13 VAL A O 1 ATOM 89 C CB . VAL A 1 13 ? -39.893 -16.408 22.245 1.00 85.09 ? 13 VAL A CB 1 ATOM 90 C CG1 . VAL A 1 13 ? -39.409 -15.325 23.196 1.00 81.88 ? 13 VAL A CG1 1 ATOM 91 C CG2 . VAL A 1 13 ? -38.794 -16.760 21.249 1.00 83.79 ? 13 VAL A CG2 1 ATOM 92 N N . LYS A 1 14 ? -41.329 -18.687 21.016 1.00 77.73 ? 14 LYS A N 1 ATOM 93 C CA . LYS A 1 14 ? -41.475 -19.748 20.038 1.00 77.08 ? 14 LYS A CA 1 ATOM 94 C C . LYS A 1 14 ? -41.259 -19.177 18.655 1.00 66.52 ? 14 LYS A C 1 ATOM 95 O O . LYS A 1 14 ? -41.593 -18.027 18.389 1.00 65.01 ? 14 LYS A O 1 ATOM 96 C CB . LYS A 1 14 ? -42.838 -20.411 20.146 1.00 82.46 ? 14 LYS A CB 1 ATOM 97 C CG . LYS A 1 14 ? -44.023 -19.501 19.828 1.00 88.87 ? 14 LYS A CG 1 ATOM 98 C CD . LYS A 1 14 ? -44.879 -20.098 18.713 1.00 89.34 ? 14 LYS A CD 1 ATOM 99 C CE . LYS A 1 14 ? -46.187 -19.344 18.556 1.00 90.97 ? 14 LYS A CE 1 ATOM 100 N NZ . LYS A 1 14 ? -47.269 -20.261 18.123 1.00 92.36 ? 14 LYS A NZ 1 ATOM 101 N N . CYS A 1 15 ? -40.726 -20.016 17.781 1.00 59.26 ? 15 CYS A N 1 ATOM 102 C CA . CYS A 1 15 ? -40.103 -19.582 16.564 1.00 58.71 ? 15 CYS A CA 1 ATOM 103 C C . CYS A 1 15 ? -41.021 -19.831 15.378 1.00 70.28 ? 15 CYS A C 1 ATOM 104 O O . CYS A 1 15 ? -41.802 -20.790 15.385 1.00 77.66 ? 15 CYS A O 1 ATOM 105 C CB . CYS A 1 15 ? -38.755 -20.311 16.434 1.00 55.19 ? 15 CYS A CB 1 ATOM 106 S SG . CYS A 1 15 ? -37.570 -19.864 17.773 1.00 57.24 ? 15 CYS A SG 1 ATOM 107 N N . ASP A 1 16 ? -40.979 -18.932 14.392 1.00 69.35 ? 16 ASP A N 1 ATOM 108 C CA . ASP A 1 16 ? -41.595 -19.193 13.097 1.00 72.76 ? 16 ASP A CA 1 ATOM 109 C C . ASP A 1 16 ? -40.437 -19.633 12.241 1.00 73.06 ? 16 ASP A C 1 ATOM 110 O O . ASP A 1 16 ? -39.658 -18.799 11.779 1.00 68.98 ? 16 ASP A O 1 ATOM 111 C CB . ASP A 1 16 ? -42.277 -17.949 12.509 1.00 78.06 ? 16 ASP A CB 1 ATOM 112 C CG . ASP A 1 16 ? -42.561 -18.068 10.998 1.00 74.84 ? 16 ASP A CG 1 ATOM 113 O OD1 . ASP A 1 16 ? -42.349 -19.135 10.384 1.00 75.05 ? 16 ASP A OD1 1 ATOM 114 O OD2 . ASP A 1 16 ? -42.976 -17.062 10.403 1.00 74.71 ? 16 ASP A OD2 1 ATOM 115 N N . GLU A 1 17 ? -40.347 -20.944 12.017 1.00 73.88 ? 17 GLU A N 1 ATOM 116 C CA . GLU A 1 17 ? -39.233 -21.554 11.275 1.00 76.13 ? 17 GLU A CA 1 ATOM 117 C C . GLU A 1 17 ? -39.017 -21.048 9.859 1.00 68.68 ? 17 GLU A C 1 ATOM 118 O O . GLU A 1 17 ? -37.930 -21.252 9.314 1.00 76.11 ? 17 GLU A O 1 ATOM 119 C CB . GLU A 1 17 ? -39.356 -23.096 11.218 1.00 78.66 ? 17 GLU A CB 1 ATOM 120 C CG . GLU A 1 17 ? -39.170 -23.815 12.546 1.00 85.03 ? 17 GLU A CG 1 ATOM 121 C CD . GLU A 1 17 ? -38.054 -23.221 13.379 1.00 87.07 ? 17 GLU A CD 1 ATOM 122 O OE1 . GLU A 1 17 ? -36.877 -23.328 12.971 1.00 83.14 ? 17 GLU A OE1 1 ATOM 123 O OE2 . GLU A 1 17 ? -38.366 -22.621 14.431 1.00 99.52 ? 17 GLU A OE2 1 ATOM 124 N N . ASN A 1 18 ? -40.023 -20.441 9.238 1.00 68.32 ? 18 ASN A N 1 ATOM 125 C CA . ASN A 1 18 ? -39.819 -19.867 7.903 1.00 67.81 ? 18 ASN A CA 1 ATOM 126 C C . ASN A 1 18 ? -39.866 -18.347 7.867 1.00 59.63 ? 18 ASN A C 1 ATOM 127 O O . ASN A 1 18 ? -39.730 -17.779 6.793 1.00 58.38 ? 18 ASN A O 1 ATOM 128 C CB . ASN A 1 18 ? -40.748 -20.537 6.860 1.00 74.86 ? 18 ASN A CB 1 ATOM 129 C CG . ASN A 1 18 ? -40.191 -21.884 6.355 1.00 79.07 ? 18 ASN A CG 1 ATOM 130 O OD1 . ASN A 1 18 ? -38.964 -22.097 6.277 1.00 72.53 ? 18 ASN A OD1 1 ATOM 131 N ND2 . ASN A 1 18 ? -41.091 -22.805 6.033 1.00 82.60 ? 18 ASN A ND2 1 ATOM 132 N N . SER A 1 19 ? -39.954 -17.683 9.026 1.00 54.15 ? 19 SER A N 1 ATOM 133 C CA . SER A 1 19 ? -39.752 -16.228 9.071 1.00 57.65 ? 19 SER A CA 1 ATOM 134 C C . SER A 1 19 ? -38.469 -15.813 8.353 1.00 52.77 ? 19 SER A C 1 ATOM 135 O O . SER A 1 19 ? -37.408 -16.390 8.589 1.00 60.88 ? 19 SER A O 1 ATOM 136 C CB . SER A 1 19 ? -39.669 -15.684 10.488 1.00 60.79 ? 19 SER A CB 1 ATOM 137 O OG . SER A 1 19 ? -39.505 -14.269 10.445 1.00 61.33 ? 19 SER A OG 1 ATOM 138 N N . PRO A 1 20 ? -38.565 -14.830 7.451 1.00 51.39 ? 20 PRO A N 1 ATOM 139 C CA . PRO A 1 20 ? -37.381 -14.331 6.748 1.00 49.54 ? 20 PRO A CA 1 ATOM 140 C C . PRO A 1 20 ? -36.635 -13.203 7.516 1.00 49.50 ? 20 PRO A C 1 ATOM 141 O O . PRO A 1 20 ? -35.578 -12.722 7.042 1.00 48.00 ? 20 PRO A O 1 ATOM 142 C CB . PRO A 1 20 ? -37.979 -13.792 5.457 1.00 49.11 ? 20 PRO A CB 1 ATOM 143 C CG . PRO A 1 20 ? -39.324 -13.305 5.848 1.00 48.87 ? 20 PRO A CG 1 ATOM 144 C CD . PRO A 1 20 ? -39.796 -14.167 6.981 1.00 50.00 ? 20 PRO A CD 1 ATOM 145 N N . TYR A 1 21 ? -37.188 -12.781 8.662 1.00 47.62 ? 21 TYR A N 1 ATOM 146 C CA . TYR A 1 21 ? -36.603 -11.688 9.458 1.00 50.87 ? 21 TYR A CA 1 ATOM 147 C C . TYR A 1 21 ? -36.114 -12.185 10.833 1.00 48.35 ? 21 TYR A C 1 ATOM 148 O O . TYR A 1 21 ? -36.606 -13.181 11.363 1.00 43.58 ? 21 TYR A O 1 ATOM 149 C CB . TYR A 1 21 ? -37.608 -10.529 9.590 1.00 49.49 ? 21 TYR A CB 1 ATOM 150 C CG . TYR A 1 21 ? -38.068 -10.014 8.229 1.00 52.68 ? 21 TYR A CG 1 ATOM 151 C CD1 . TYR A 1 21 ? -37.119 -9.613 7.267 1.00 56.61 ? 21 TYR A CD1 1 ATOM 152 C CD2 . TYR A 1 21 ? -39.434 -9.985 7.868 1.00 54.02 ? 21 TYR A CD2 1 ATOM 153 C CE1 . TYR A 1 21 ? -37.504 -9.166 6.014 1.00 57.80 ? 21 TYR A CE1 1 ATOM 154 C CE2 . TYR A 1 21 ? -39.839 -9.533 6.608 1.00 50.97 ? 21 TYR A CE2 1 ATOM 155 C CZ . TYR A 1 21 ? -38.868 -9.123 5.671 1.00 57.29 ? 21 TYR A CZ 1 ATOM 156 O OH . TYR A 1 21 ? -39.195 -8.662 4.377 1.00 47.50 ? 21 TYR A OH 1 ATOM 157 N N . ARG A 1 22 ? -35.136 -11.478 11.392 1.00 43.02 ? 22 ARG A N 1 ATOM 158 C CA . ARG A 1 22 ? -34.615 -11.785 12.725 1.00 37.48 ? 22 ARG A CA 1 ATOM 159 C C . ARG A 1 22 ? -35.681 -11.503 13.739 1.00 34.46 ? 22 ARG A C 1 ATOM 160 O O . ARG A 1 22 ? -36.560 -10.680 13.528 1.00 39.52 ? 22 ARG A O 1 ATOM 161 C CB . ARG A 1 22 ? -33.404 -10.885 13.057 1.00 32.35 ? 22 ARG A CB 1 ATOM 162 C CG . ARG A 1 22 ? -32.223 -10.973 12.158 1.00 31.05 ? 22 ARG A CG 1 ATOM 163 C CD . ARG A 1 22 ? -31.109 -10.073 12.775 1.00 31.00 ? 22 ARG A CD 1 ATOM 164 N NE . ARG A 1 22 ? -29.907 -10.024 11.975 1.00 26.31 ? 22 ARG A NE 1 ATOM 165 C CZ . ARG A 1 22 ? -28.912 -10.895 12.057 1.00 27.07 ? 22 ARG A CZ 1 ATOM 166 N NH1 . ARG A 1 22 ? -28.976 -11.926 12.902 1.00 31.62 ? 22 ARG A NH1 1 ATOM 167 N NH2 . ARG A 1 22 ? -27.846 -10.742 11.288 1.00 27.66 ? 22 ARG A NH2 1 ATOM 168 N N . THR A 1 23 ? -35.665 -12.187 14.860 1.00 37.79 ? 23 THR A N 1 ATOM 169 C CA . THR A 1 23 ? -36.427 -11.687 15.970 1.00 36.15 ? 23 THR A CA 1 ATOM 170 C C . THR A 1 23 ? -35.667 -10.432 16.457 1.00 40.19 ? 23 THR A C 1 ATOM 171 O O . THR A 1 23 ? -34.505 -10.113 16.018 1.00 33.13 ? 23 THR A O 1 ATOM 172 C CB . THR A 1 23 ? -36.547 -12.679 17.128 1.00 40.35 ? 23 THR A CB 1 ATOM 173 O OG1 . THR A 1 23 ? -35.240 -13.154 17.464 1.00 41.80 ? 23 THR A OG1 1 ATOM 174 C CG2 . THR A 1 23 ? -37.448 -13.861 16.757 1.00 39.92 ? 23 THR A CG2 1 ATOM 175 N N . ILE A 1 24 ? -36.373 -9.711 17.302 1.00 36.91 ? 24 ILE A N 1 ATOM 176 C CA . ILE A 1 24 ? -35.823 -8.612 18.059 1.00 38.28 ? 24 ILE A CA 1 ATOM 177 C C . ILE A 1 24 ? -34.897 -9.170 19.148 1.00 36.28 ? 24 ILE A C 1 ATOM 178 O O . ILE A 1 24 ? -33.809 -8.648 19.318 1.00 38.37 ? 24 ILE A O 1 ATOM 179 C CB . ILE A 1 24 ? -36.966 -7.732 18.609 1.00 38.39 ? 24 ILE A CB 1 ATOM 180 C CG1 . ILE A 1 24 ? -37.418 -6.750 17.506 1.00 37.79 ? 24 ILE A CG1 1 ATOM 181 C CG2 . ILE A 1 24 ? -36.592 -7.028 19.892 1.00 39.70 ? 24 ILE A CG2 1 ATOM 182 C CD1 . ILE A 1 24 ? -36.395 -5.699 17.095 1.00 41.03 ? 24 ILE A CD1 1 ATOM 183 N N . THR A 1 25 ? -35.318 -10.225 19.845 1.00 32.47 ? 25 THR A N 1 ATOM 184 C CA . THR A 1 25 ? -34.512 -10.780 20.920 1.00 35.48 ? 25 THR A CA 1 ATOM 185 C C . THR A 1 25 ? -33.298 -11.574 20.460 1.00 30.95 ? 25 THR A C 1 ATOM 186 O O . THR A 1 25 ? -32.445 -11.880 21.259 1.00 33.26 ? 25 THR A O 1 ATOM 187 C CB . THR A 1 25 ? -35.351 -11.655 21.866 1.00 37.94 ? 25 THR A CB 1 ATOM 188 O OG1 . THR A 1 25 ? -35.937 -12.727 21.118 1.00 35.09 ? 25 THR A OG1 1 ATOM 189 C CG2 . THR A 1 25 ? -36.420 -10.826 22.561 1.00 38.95 ? 25 THR A CG2 1 ATOM 190 N N . GLY A 1 26 ? -33.239 -11.916 19.187 1.00 30.35 ? 26 GLY A N 1 ATOM 191 C CA . GLY A 1 26 ? -32.312 -12.873 18.657 1.00 28.88 ? 26 GLY A CA 1 ATOM 192 C C . GLY A 1 26 ? -32.587 -14.334 18.910 1.00 30.71 ? 26 GLY A C 1 ATOM 193 O O . GLY A 1 26 ? -31.859 -15.191 18.376 1.00 28.43 ? 26 GLY A O 1 ATOM 194 N N . ASP A 1 27 ? -33.632 -14.653 19.701 1.00 34.60 ? 27 ASP A N 1 ATOM 195 C CA . ASP A 1 27 ? -34.183 -16.016 19.682 1.00 33.42 ? 27 ASP A CA 1 ATOM 196 C C . ASP A 1 27 ? -34.437 -16.479 18.236 1.00 32.93 ? 27 ASP A C 1 ATOM 197 O O . ASP A 1 27 ? -34.557 -15.662 17.287 1.00 33.93 ? 27 ASP A O 1 ATOM 198 C CB . ASP A 1 27 ? -35.429 -16.127 20.548 1.00 34.41 ? 27 ASP A CB 1 ATOM 199 C CG . ASP A 1 27 ? -35.125 -15.936 22.000 1.00 34.79 ? 27 ASP A CG 1 ATOM 200 O OD1 . ASP A 1 27 ? -34.487 -16.817 22.609 1.00 34.00 ? 27 ASP A OD1 1 ATOM 201 O OD2 . ASP A 1 27 ? -35.514 -14.880 22.547 1.00 39.31 ? 27 ASP A OD2 1 ATOM 202 N N . CYS A 1 28 ? -34.414 -17.793 18.072 1.00 34.41 ? 28 CYS A N 1 ATOM 203 C CA . CYS A 1 28 ? -34.681 -18.466 16.801 1.00 38.48 ? 28 CYS A CA 1 ATOM 204 C C . CYS A 1 28 ? -33.640 -18.374 15.756 1.00 35.43 ? 28 CYS A C 1 ATOM 205 O O . CYS A 1 28 ? -33.886 -18.819 14.646 1.00 39.81 ? 28 CYS A O 1 ATOM 206 C CB . CYS A 1 28 ? -35.999 -17.998 16.186 1.00 40.41 ? 28 CYS A CB 1 ATOM 207 S SG . CYS A 1 28 ? -37.227 -17.895 17.443 1.00 44.13 ? 28 CYS A SG 1 ATOM 208 N N . ASN A 1 29 ? -32.489 -17.752 16.023 1.00 30.63 ? 29 ASN A N 1 ATOM 209 C CA . ASN A 1 29 ? -31.474 -17.662 14.991 1.00 33.39 ? 29 ASN A CA 1 ATOM 210 C C . ASN A 1 29 ? -30.945 -19.057 14.720 1.00 35.53 ? 29 ASN A C 1 ATOM 211 O O . ASN A 1 29 ? -30.866 -19.484 13.550 1.00 38.35 ? 29 ASN A O 1 ATOM 212 C CB . ASN A 1 29 ? -30.321 -16.698 15.394 1.00 32.25 ? 29 ASN A CB 1 ATOM 213 C CG . ASN A 1 29 ? -29.337 -16.427 14.281 1.00 28.78 ? 29 ASN A CG 1 ATOM 214 O OD1 . ASN A 1 29 ? -28.655 -17.320 13.810 1.00 29.70 ? 29 ASN A OD1 1 ATOM 215 N ND2 . ASN A 1 29 ? -29.208 -15.149 13.885 1.00 33.40 ? 29 ASN A ND2 1 ATOM 216 N N . ASN A 1 30 ? -30.521 -19.731 15.800 1.00 36.23 ? 30 ASN A N 1 ATOM 217 C CA . ASN A 1 30 ? -30.017 -21.083 15.725 1.00 33.74 ? 30 ASN A CA 1 ATOM 218 C C . ASN A 1 30 ? -31.213 -21.992 15.912 1.00 31.00 ? 30 ASN A C 1 ATOM 219 O O . ASN A 1 30 ? -31.896 -21.889 16.922 1.00 30.02 ? 30 ASN A O 1 ATOM 220 C CB . ASN A 1 30 ? -28.970 -21.351 16.809 1.00 32.97 ? 30 ASN A CB 1 ATOM 221 C CG . ASN A 1 30 ? -28.180 -22.606 16.511 1.00 35.81 ? 30 ASN A CG 1 ATOM 222 O OD1 . ASN A 1 30 ? -28.693 -23.710 16.698 1.00 36.16 ? 30 ASN A OD1 1 ATOM 223 N ND2 . ASN A 1 30 ? -26.945 -22.457 15.998 1.00 33.08 ? 30 ASN A ND2 1 ATOM 224 N N . ARG A 1 31 ? -31.441 -22.892 14.962 1.00 36.22 ? 31 ARG A N 1 ATOM 225 C CA . ARG A 1 31 ? -32.689 -23.716 14.934 1.00 35.93 ? 31 ARG A CA 1 ATOM 226 C C . ARG A 1 31 ? -32.689 -24.755 16.016 1.00 33.99 ? 31 ARG A C 1 ATOM 227 O O . ARG A 1 31 ? -33.698 -24.966 16.693 1.00 42.95 ? 31 ARG A O 1 ATOM 228 C CB . ARG A 1 31 ? -32.890 -24.393 13.549 1.00 38.83 ? 31 ARG A CB 1 ATOM 229 C CG . ARG A 1 31 ? -33.190 -23.422 12.401 1.00 39.72 ? 31 ARG A CG 1 ATOM 230 C CD . ARG A 1 31 ? -33.645 -24.199 11.141 1.00 45.97 ? 31 ARG A CD 1 ATOM 231 N NE . ARG A 1 31 ? -33.859 -23.388 9.936 1.00 42.99 ? 31 ARG A NE 1 ATOM 232 C CZ . ARG A 1 31 ? -34.939 -22.648 9.729 1.00 42.19 ? 31 ARG A CZ 1 ATOM 233 N NH1 . ARG A 1 31 ? -35.929 -22.588 10.626 1.00 42.90 ? 31 ARG A NH1 1 ATOM 234 N NH2 . ARG A 1 31 ? -35.052 -21.959 8.616 1.00 44.67 ? 31 ARG A NH2 1 ATOM 235 N N . ARG A 1 32 ? -31.539 -25.372 16.235 1.00 41.31 ? 32 ARG A N 1 ATOM 236 C CA . ARG A 1 32 ? -31.469 -26.466 17.196 1.00 42.93 ? 32 ARG A CA 1 ATOM 237 C C . ARG A 1 32 ? -31.294 -25.995 18.612 1.00 42.65 ? 32 ARG A C 1 ATOM 238 O O . ARG A 1 32 ? -31.796 -26.647 19.508 1.00 38.26 ? 32 ARG A O 1 ATOM 239 C CB . ARG A 1 32 ? -30.474 -27.572 16.836 1.00 48.95 ? 32 ARG A CB 1 ATOM 240 C CG . ARG A 1 32 ? -29.485 -27.285 15.732 1.00 60.89 ? 32 ARG A CG 1 ATOM 241 C CD . ARG A 1 32 ? -28.827 -28.556 15.221 1.00 70.44 ? 32 ARG A CD 1 ATOM 242 N NE . ARG A 1 32 ? -27.392 -28.319 15.012 1.00 76.80 ? 32 ARG A NE 1 ATOM 243 C CZ . ARG A 1 32 ? -26.390 -28.970 15.608 1.00 81.98 ? 32 ARG A CZ 1 ATOM 244 N NH1 . ARG A 1 32 ? -25.131 -28.623 15.317 1.00 85.80 ? 32 ARG A NH1 1 ATOM 245 N NH2 . ARG A 1 32 ? -26.610 -29.969 16.476 1.00 84.41 ? 32 ARG A NH2 1 ATOM 246 N N . SER A 1 33 ? -30.585 -24.871 18.823 1.00 40.66 ? 33 SER A N 1 ATOM 247 C CA . SER A 1 33 ? -30.547 -24.209 20.146 1.00 38.11 ? 33 SER A CA 1 ATOM 248 C C . SER A 1 33 ? -31.100 -22.771 19.985 1.00 36.75 ? 33 SER A C 1 ATOM 249 O O . SER A 1 33 ? -30.353 -21.840 19.779 1.00 32.89 ? 33 SER A O 1 ATOM 250 C CB . SER A 1 33 ? -29.117 -24.204 20.712 1.00 39.84 ? 33 SER A CB 1 ATOM 251 O OG . SER A 1 33 ? -28.515 -25.463 20.531 1.00 40.81 ? 33 SER A OG 1 ATOM 252 N N . PRO A 1 34 ? -32.426 -22.605 20.048 1.00 37.86 ? 34 PRO A N 1 ATOM 253 C CA . PRO A 1 34 ? -32.998 -21.271 19.715 1.00 39.17 ? 34 PRO A CA 1 ATOM 254 C C . PRO A 1 34 ? -32.598 -20.062 20.617 1.00 33.65 ? 34 PRO A C 1 ATOM 255 O O . PRO A 1 34 ? -32.644 -18.949 20.136 1.00 33.03 ? 34 PRO A O 1 ATOM 256 C CB . PRO A 1 34 ? -34.543 -21.513 19.731 1.00 38.16 ? 34 PRO A CB 1 ATOM 257 C CG . PRO A 1 34 ? -34.750 -22.911 20.237 1.00 37.32 ? 34 PRO A CG 1 ATOM 258 C CD . PRO A 1 34 ? -33.461 -23.666 20.161 1.00 36.91 ? 34 PRO A CD 1 ATOM 259 N N . ALA A 1 35 ? -32.274 -20.291 21.889 1.00 29.26 ? 35 ALA A N 1 ATOM 260 C CA . ALA A 1 35 ? -31.808 -19.240 22.783 1.00 27.07 ? 35 ALA A CA 1 ATOM 261 C C . ALA A 1 35 ? -30.358 -18.755 22.505 1.00 28.59 ? 35 ALA A C 1 ATOM 262 O O . ALA A 1 35 ? -29.958 -17.729 23.070 1.00 23.14 ? 35 ALA A O 1 ATOM 263 C CB . ALA A 1 35 ? -31.914 -19.692 24.221 1.00 30.08 ? 35 ALA A CB 1 ATOM 264 N N . LEU A 1 36 ? -29.602 -19.416 21.633 1.00 27.79 ? 36 LEU A N 1 ATOM 265 C CA . LEU A 1 36 ? -28.210 -18.983 21.340 1.00 30.57 ? 36 LEU A CA 1 ATOM 266 C C . LEU A 1 36 ? -28.061 -17.645 20.668 1.00 30.52 ? 36 LEU A C 1 ATOM 267 O O . LEU A 1 36 ? -28.533 -17.416 19.504 1.00 24.90 ? 36 LEU A O 1 ATOM 268 C CB . LEU A 1 36 ? -27.449 -19.975 20.497 1.00 29.39 ? 36 LEU A CB 1 ATOM 269 C CG . LEU A 1 36 ? -26.987 -21.262 21.156 1.00 36.84 ? 36 LEU A CG 1 ATOM 270 C CD1 . LEU A 1 36 ? -26.277 -22.068 20.048 1.00 39.29 ? 36 LEU A CD1 1 ATOM 271 C CD2 . LEU A 1 36 ? -26.090 -21.061 22.381 1.00 32.95 ? 36 LEU A CD2 1 ATOM 272 N N . GLY A 1 37 ? -27.373 -16.744 21.386 1.00 27.52 ? 37 GLY A N 1 ATOM 273 C CA . GLY A 1 37 ? -27.144 -15.372 20.899 1.00 24.56 ? 37 GLY A CA 1 ATOM 274 C C . GLY A 1 37 ? -28.301 -14.415 21.167 1.00 24.02 ? 37 GLY A C 1 ATOM 275 O O . GLY A 1 37 ? -28.189 -13.214 20.950 1.00 23.58 ? 37 GLY A O 1 ATOM 276 N N . ALA A 1 38 ? -29.428 -14.917 21.656 1.00 25.43 ? 38 ALA A N 1 ATOM 277 C CA . ALA A 1 38 ? -30.461 -14.083 22.250 1.00 24.28 ? 38 ALA A CA 1 ATOM 278 C C . ALA A 1 38 ? -29.943 -13.258 23.398 1.00 26.76 ? 38 ALA A C 1 ATOM 279 O O . ALA A 1 38 ? -29.023 -13.633 24.136 1.00 25.11 ? 38 ALA A O 1 ATOM 280 C CB . ALA A 1 38 ? -31.635 -14.936 22.778 1.00 26.75 ? 38 ALA A CB 1 ATOM 281 N N . ALA A 1 39 ? -30.621 -12.139 23.547 1.00 27.16 ? 39 ALA A N 1 ATOM 282 C CA . ALA A 1 39 ? -30.430 -11.211 24.634 1.00 25.81 ? 39 ALA A CA 1 ATOM 283 C C . ALA A 1 39 ? -30.946 -11.743 25.912 1.00 27.70 ? 39 ALA A C 1 ATOM 284 O O . ALA A 1 39 ? -31.849 -12.639 25.943 1.00 29.63 ? 39 ALA A O 1 ATOM 285 C CB . ALA A 1 39 ? -31.163 -9.921 24.321 1.00 26.95 ? 39 ALA A CB 1 ATOM 286 N N . ASN A 1 40 ? -30.439 -11.110 26.968 1.00 27.82 ? 40 ASN A N 1 ATOM 287 C CA . ASN A 1 40 ? -30.751 -11.406 28.327 1.00 31.12 ? 40 ASN A CA 1 ATOM 288 C C . ASN A 1 40 ? -30.505 -12.817 28.745 1.00 31.49 ? 40 ASN A C 1 ATOM 289 O O . ASN A 1 40 ? -31.253 -13.313 29.563 1.00 32.09 ? 40 ASN A O 1 ATOM 290 C CB . ASN A 1 40 ? -32.213 -10.935 28.686 1.00 36.14 ? 40 ASN A CB 1 ATOM 291 C CG . ASN A 1 40 ? -32.332 -9.421 28.630 1.00 40.83 ? 40 ASN A CG 1 ATOM 292 O OD1 . ASN A 1 40 ? -32.988 -8.849 27.720 1.00 50.32 ? 40 ASN A OD1 1 ATOM 293 N ND2 . ASN A 1 40 ? -31.611 -8.741 29.543 1.00 39.37 ? 40 ASN A ND2 1 ATOM 294 N N . ARG A 1 41 ? -29.439 -13.437 28.202 1.00 27.54 ? 41 ARG A N 1 ATOM 295 C CA . ARG A 1 41 ? -28.920 -14.743 28.587 1.00 24.98 ? 41 ARG A CA 1 ATOM 296 C C . ARG A 1 41 ? -27.466 -14.476 29.050 1.00 25.77 ? 41 ARG A C 1 ATOM 297 O O . ARG A 1 41 ? -26.972 -13.346 28.849 1.00 22.10 ? 41 ARG A O 1 ATOM 298 C CB . ARG A 1 41 ? -28.864 -15.646 27.395 1.00 31.66 ? 41 ARG A CB 1 ATOM 299 C CG . ARG A 1 41 ? -30.191 -15.767 26.649 1.00 38.63 ? 41 ARG A CG 1 ATOM 300 C CD . ARG A 1 41 ? -31.097 -16.805 27.229 1.00 41.00 ? 41 ARG A CD 1 ATOM 301 N NE . ARG A 1 41 ? -32.375 -16.732 26.503 1.00 54.92 ? 41 ARG A NE 1 ATOM 302 C CZ . ARG A 1 41 ? -33.396 -17.579 26.632 1.00 58.54 ? 41 ARG A CZ 1 ATOM 303 N NH1 . ARG A 1 41 ? -33.325 -18.591 27.493 1.00 63.00 ? 41 ARG A NH1 1 ATOM 304 N NH2 . ARG A 1 41 ? -34.502 -17.396 25.901 1.00 56.73 ? 41 ARG A NH2 1 ATOM 305 N N . ALA A 1 42 ? -26.838 -15.481 29.671 1.00 19.29 ? 42 ALA A N 1 ATOM 306 C CA . ALA A 1 42 ? -25.496 -15.335 30.182 1.00 23.43 ? 42 ALA A CA 1 ATOM 307 C C . ALA A 1 42 ? -24.536 -15.134 29.051 1.00 18.85 ? 42 ALA A C 1 ATOM 308 O O . ALA A 1 42 ? -24.616 -15.816 28.022 1.00 18.68 ? 42 ALA A O 1 ATOM 309 C CB . ALA A 1 42 ? -25.044 -16.525 30.980 1.00 23.34 ? 42 ALA A CB 1 ATOM 310 N N . LEU A 1 43 ? -23.598 -14.262 29.290 1.00 20.62 ? 43 LEU A N 1 ATOM 311 C CA . LEU A 1 43 ? -22.414 -14.152 28.384 1.00 19.26 ? 43 LEU A CA 1 ATOM 312 C C . LEU A 1 43 ? -21.747 -15.500 28.402 1.00 19.78 ? 43 LEU A C 1 ATOM 313 O O . LEU A 1 43 ? -21.697 -16.183 29.425 1.00 20.07 ? 43 LEU A O 1 ATOM 314 C CB . LEU A 1 43 ? -21.445 -13.118 28.920 1.00 19.34 ? 43 LEU A CB 1 ATOM 315 C CG . LEU A 1 43 ? -21.787 -11.681 28.829 1.00 17.98 ? 43 LEU A CG 1 ATOM 316 C CD1 . LEU A 1 43 ? -21.207 -10.830 29.915 1.00 17.85 ? 43 LEU A CD1 1 ATOM 317 C CD2 . LEU A 1 43 ? -21.435 -11.091 27.438 1.00 17.85 ? 43 LEU A CD2 1 ATOM 318 N N . ALA A 1 44 ? -21.230 -15.928 27.275 1.00 20.08 ? 44 ALA A N 1 ATOM 319 C CA . ALA A 1 44 ? -20.537 -17.178 27.248 1.00 18.77 ? 44 ALA A CA 1 ATOM 320 C C . ALA A 1 44 ? -19.196 -17.137 27.983 1.00 20.31 ? 44 ALA A C 1 ATOM 321 O O . ALA A 1 44 ? -18.560 -16.104 27.989 1.00 20.77 ? 44 ALA A O 1 ATOM 322 C CB . ALA A 1 44 ? -20.287 -17.565 25.845 1.00 19.37 ? 44 ALA A CB 1 ATOM 323 N N . ARG A 1 45 ? -18.778 -18.294 28.467 1.00 18.28 ? 45 ARG A N 1 ATOM 324 C CA . ARG A 1 45 ? -17.486 -18.492 29.123 1.00 20.31 ? 45 ARG A CA 1 ATOM 325 C C . ARG A 1 45 ? -16.630 -19.309 28.263 1.00 22.39 ? 45 ARG A C 1 ATOM 326 O O . ARG A 1 45 ? -16.910 -20.493 28.086 1.00 22.35 ? 45 ARG A O 1 ATOM 327 C CB . ARG A 1 45 ? -17.640 -19.245 30.471 1.00 20.30 ? 45 ARG A CB 1 ATOM 328 C CG . ARG A 1 45 ? -18.238 -18.370 31.542 1.00 21.05 ? 45 ARG A CG 1 ATOM 329 C CD . ARG A 1 45 ? -17.234 -17.519 32.301 1.00 20.31 ? 45 ARG A CD 1 ATOM 330 N NE . ARG A 1 45 ? -17.967 -16.687 33.249 1.00 21.24 ? 45 ARG A NE 1 ATOM 331 C CZ . ARG A 1 45 ? -17.430 -15.657 33.916 1.00 22.68 ? 45 ARG A CZ 1 ATOM 332 N NH1 . ARG A 1 45 ? -16.130 -15.293 33.718 1.00 19.70 ? 45 ARG A NH1 1 ATOM 333 N NH2 . ARG A 1 45 ? -18.146 -14.991 34.800 1.00 20.17 ? 45 ARG A NH2 1 ATOM 334 N N . TRP A 1 46 ? -15.582 -18.691 27.693 1.00 19.41 ? 46 TRP A N 1 ATOM 335 C CA . TRP A 1 46 ? -14.559 -19.390 26.977 1.00 18.95 ? 46 TRP A CA 1 ATOM 336 C C . TRP A 1 46 ? -13.619 -20.112 27.910 1.00 20.09 ? 46 TRP A C 1 ATOM 337 O O . TRP A 1 46 ? -13.040 -21.108 27.479 1.00 18.92 ? 46 TRP A O 1 ATOM 338 C CB . TRP A 1 46 ? -13.750 -18.417 26.072 1.00 19.30 ? 46 TRP A CB 1 ATOM 339 C CG . TRP A 1 46 ? -14.521 -17.991 24.850 1.00 19.95 ? 46 TRP A CG 1 ATOM 340 C CD1 . TRP A 1 46 ? -15.733 -18.437 24.428 1.00 24.41 ? 46 TRP A CD1 1 ATOM 341 C CD2 . TRP A 1 46 ? -14.111 -17.026 23.937 1.00 22.84 ? 46 TRP A CD2 1 ATOM 342 N NE1 . TRP A 1 46 ? -16.129 -17.782 23.282 1.00 24.78 ? 46 TRP A NE1 1 ATOM 343 C CE2 . TRP A 1 46 ? -15.112 -16.934 22.933 1.00 22.98 ? 46 TRP A CE2 1 ATOM 344 C CE3 . TRP A 1 46 ? -12.945 -16.270 23.806 1.00 21.87 ? 46 TRP A CE3 1 ATOM 345 C CZ2 . TRP A 1 46 ? -14.998 -16.094 21.839 1.00 25.39 ? 46 TRP A CZ2 1 ATOM 346 C CZ3 . TRP A 1 46 ? -12.860 -15.396 22.728 1.00 24.10 ? 46 TRP A CZ3 1 ATOM 347 C CH2 . TRP A 1 46 ? -13.877 -15.327 21.758 1.00 25.12 ? 46 TRP A CH2 1 ATOM 348 N N . LEU A 1 47 ? -13.426 -19.575 29.106 1.00 16.84 ? 47 LEU A N 1 ATOM 349 C CA . LEU A 1 47 ? -12.692 -20.278 30.178 1.00 19.79 ? 47 LEU A CA 1 ATOM 350 C C . LEU A 1 47 ? -13.498 -20.142 31.443 1.00 20.50 ? 47 LEU A C 1 ATOM 351 O O . LEU A 1 47 ? -14.222 -19.144 31.595 1.00 18.05 ? 47 LEU A O 1 ATOM 352 C CB . LEU A 1 47 ? -11.390 -19.582 30.407 1.00 18.99 ? 47 LEU A CB 1 ATOM 353 C CG . LEU A 1 47 ? -10.301 -19.707 29.358 1.00 21.71 ? 47 LEU A CG 1 ATOM 354 C CD1 . LEU A 1 47 ? -9.146 -18.849 29.829 1.00 23.29 ? 47 LEU A CD1 1 ATOM 355 C CD2 . LEU A 1 47 ? -9.930 -21.176 29.215 1.00 21.36 ? 47 LEU A CD2 1 ATOM 356 N N . PRO A 1 48 ? -13.332 -21.078 32.376 1.00 23.36 ? 48 PRO A N 1 ATOM 357 C CA . PRO A 1 48 ? -14.057 -20.954 33.619 1.00 24.01 ? 48 PRO A CA 1 ATOM 358 C C . PRO A 1 48 ? -13.800 -19.641 34.335 1.00 23.41 ? 48 PRO A C 1 ATOM 359 O O . PRO A 1 48 ? -12.674 -19.096 34.303 1.00 22.06 ? 48 PRO A O 1 ATOM 360 C CB . PRO A 1 48 ? -13.532 -22.117 34.470 1.00 27.40 ? 48 PRO A CB 1 ATOM 361 C CG . PRO A 1 48 ? -13.014 -23.112 33.486 1.00 25.99 ? 48 PRO A CG 1 ATOM 362 C CD . PRO A 1 48 ? -12.545 -22.332 32.303 1.00 25.64 ? 48 PRO A CD 1 ATOM 363 N N . ALA A 1 49 ? -14.850 -19.148 34.971 1.00 19.63 ? 49 ALA A N 1 ATOM 364 C CA . ALA A 1 49 ? -14.793 -17.912 35.718 1.00 19.27 ? 49 ALA A CA 1 ATOM 365 C C . ALA A 1 49 ? -13.822 -18.083 36.898 1.00 20.50 ? 49 ALA A C 1 ATOM 366 O O . ALA A 1 49 ? -13.711 -19.182 37.416 1.00 18.37 ? 49 ALA A O 1 ATOM 367 C CB . ALA A 1 49 ? -16.197 -17.605 36.228 1.00 21.56 ? 49 ALA A CB 1 ATOM 368 N N . GLU A 1 50 ? -13.119 -17.022 37.294 1.00 18.42 ? 50 GLU A N 1 ATOM 369 C CA . GLU A 1 50 ? -12.142 -17.059 38.362 1.00 21.24 ? 50 GLU A CA 1 ATOM 370 C C . GLU A 1 50 ? -12.577 -16.059 39.376 1.00 22.34 ? 50 GLU A C 1 ATOM 371 O O . GLU A 1 50 ? -12.483 -14.878 39.143 1.00 24.58 ? 50 GLU A O 1 ATOM 372 C CB . GLU A 1 50 ? -10.713 -16.771 37.877 1.00 20.43 ? 50 GLU A CB 1 ATOM 373 C CG . GLU A 1 50 ? -10.274 -17.913 36.999 1.00 23.86 ? 50 GLU A CG 1 ATOM 374 C CD . GLU A 1 50 ? -8.799 -17.879 36.613 1.00 25.30 ? 50 GLU A CD 1 ATOM 375 O OE1 . GLU A 1 50 ? -8.079 -17.108 37.215 1.00 20.70 ? 50 GLU A OE1 1 ATOM 376 O OE2 . GLU A 1 50 ? -8.416 -18.668 35.725 1.00 26.95 ? 50 GLU A OE2 1 ATOM 377 N N . TYR A 1 51 ? -13.154 -16.568 40.455 1.00 23.00 ? 51 TYR A N 1 ATOM 378 C CA . TYR A 1 51 ? -13.604 -15.747 41.576 1.00 23.30 ? 51 TYR A CA 1 ATOM 379 C C . TYR A 1 51 ? -12.783 -16.110 42.780 1.00 22.54 ? 51 TYR A C 1 ATOM 380 O O . TYR A 1 51 ? -12.302 -17.224 42.883 1.00 24.84 ? 51 TYR A O 1 ATOM 381 C CB . TYR A 1 51 ? -15.082 -16.010 41.822 1.00 22.99 ? 51 TYR A CB 1 ATOM 382 C CG . TYR A 1 51 ? -15.986 -15.416 40.775 1.00 23.08 ? 51 TYR A CG 1 ATOM 383 C CD1 . TYR A 1 51 ? -16.176 -14.062 40.666 1.00 22.73 ? 51 TYR A CD1 1 ATOM 384 C CD2 . TYR A 1 51 ? -16.728 -16.221 39.959 1.00 22.37 ? 51 TYR A CD2 1 ATOM 385 C CE1 . TYR A 1 51 ? -17.039 -13.538 39.699 1.00 22.26 ? 51 TYR A CE1 1 ATOM 386 C CE2 . TYR A 1 51 ? -17.577 -15.710 39.020 1.00 21.07 ? 51 TYR A CE2 1 ATOM 387 C CZ . TYR A 1 51 ? -17.708 -14.373 38.891 1.00 20.64 ? 51 TYR A CZ 1 ATOM 388 O OH . TYR A 1 51 ? -18.554 -13.949 37.944 1.00 22.30 ? 51 TYR A OH 1 ATOM 389 N N . GLU A 1 52 ? -12.643 -15.156 43.697 1.00 27.42 ? 52 GLU A N 1 ATOM 390 C CA . GLU A 1 52 ? -11.943 -15.314 44.976 1.00 30.23 ? 52 GLU A CA 1 ATOM 391 C C . GLU A 1 52 ? -12.406 -16.572 45.754 1.00 27.90 ? 52 GLU A C 1 ATOM 392 O O . GLU A 1 52 ? -11.611 -17.279 46.302 1.00 25.52 ? 52 GLU A O 1 ATOM 393 C CB . GLU A 1 52 ? -12.241 -14.089 45.843 1.00 29.80 ? 52 GLU A CB 1 ATOM 394 C CG . GLU A 1 52 ? -11.483 -13.988 47.136 1.00 36.42 ? 52 GLU A CG 1 ATOM 395 C CD . GLU A 1 52 ? -11.932 -12.782 47.941 1.00 34.19 ? 52 GLU A CD 1 ATOM 396 O OE1 . GLU A 1 52 ? -12.976 -12.856 48.624 1.00 37.99 ? 52 GLU A OE1 1 ATOM 397 O OE2 . GLU A 1 52 ? -11.281 -11.739 47.853 1.00 32.52 ? 52 GLU A OE2 1 ATOM 398 N N . ASP A 1 53 ? -13.709 -16.787 45.811 1.00 27.15 ? 53 ASP A N 1 ATOM 399 C CA . ASP A 1 53 ? -14.286 -17.887 46.561 1.00 30.08 ? 53 ASP A CA 1 ATOM 400 C C . ASP A 1 53 ? -14.735 -19.013 45.598 1.00 32.78 ? 53 ASP A C 1 ATOM 401 O O . ASP A 1 53 ? -15.580 -19.835 45.939 1.00 28.84 ? 53 ASP A O 1 ATOM 402 C CB . ASP A 1 53 ? -15.470 -17.354 47.394 1.00 32.03 ? 53 ASP A CB 1 ATOM 403 C CG . ASP A 1 53 ? -16.666 -16.923 46.530 1.00 33.78 ? 53 ASP A CG 1 ATOM 404 O OD1 . ASP A 1 53 ? -16.504 -16.737 45.291 1.00 29.11 ? 53 ASP A OD1 1 ATOM 405 O OD2 . ASP A 1 53 ? -17.783 -16.773 47.068 1.00 35.28 ? 53 ASP A OD2 1 ATOM 406 N N . GLY A 1 54 ? -14.162 -19.056 44.393 1.00 29.94 ? 54 GLY A N 1 ATOM 407 C CA . GLY A 1 54 ? -14.647 -19.961 43.349 1.00 27.72 ? 54 GLY A CA 1 ATOM 408 C C . GLY A 1 54 ? -16.045 -19.765 42.758 1.00 27.20 ? 54 GLY A C 1 ATOM 409 O O . GLY A 1 54 ? -16.313 -20.296 41.684 1.00 29.70 ? 54 GLY A O 1 ATOM 410 N N . LEU A 1 55 ? -16.928 -19.012 43.394 1.00 28.03 ? 55 LEU A N 1 ATOM 411 C CA . LEU A 1 55 ? -18.302 -18.935 42.944 1.00 31.51 ? 55 LEU A CA 1 ATOM 412 C C . LEU A 1 55 ? -18.708 -17.562 42.446 1.00 30.61 ? 55 LEU A C 1 ATOM 413 O O . LEU A 1 55 ? -19.352 -17.463 41.400 1.00 29.80 ? 55 LEU A O 1 ATOM 414 C CB . LEU A 1 55 ? -19.242 -19.302 44.096 1.00 37.81 ? 55 LEU A CB 1 ATOM 415 C CG . LEU A 1 55 ? -19.186 -20.748 44.636 1.00 38.86 ? 55 LEU A CG 1 ATOM 416 C CD1 . LEU A 1 55 ? -19.971 -20.908 45.925 1.00 41.42 ? 55 LEU A CD1 1 ATOM 417 C CD2 . LEU A 1 55 ? -19.701 -21.715 43.604 1.00 37.41 ? 55 LEU A CD2 1 ATOM 418 N N . ALA A 1 56 ? -18.401 -16.522 43.223 1.00 31.04 ? 56 ALA A N 1 ATOM 419 C CA . ALA A 1 56 ? -18.971 -15.211 42.956 1.00 30.54 ? 56 ALA A CA 1 ATOM 420 C C . ALA A 1 56 ? -18.191 -13.962 43.395 1.00 27.21 ? 56 ALA A C 1 ATOM 421 O O . ALA A 1 56 ? -18.418 -12.928 42.836 1.00 26.27 ? 56 ALA A O 1 ATOM 422 C CB . ALA A 1 56 ? -20.406 -15.165 43.479 1.00 33.12 ? 56 ALA A CB 1 ATOM 423 N N . LEU A 1 57 ? -17.338 -14.043 44.400 1.00 24.39 ? 57 LEU A N 1 ATOM 424 C CA . LEU A 1 57 ? -16.726 -12.883 44.989 1.00 24.28 ? 57 LEU A CA 1 ATOM 425 C C . LEU A 1 57 ? -15.520 -12.527 44.150 1.00 22.05 ? 57 LEU A C 1 ATOM 426 O O . LEU A 1 57 ? -14.756 -13.371 43.753 1.00 24.27 ? 57 LEU A O 1 ATOM 427 C CB . LEU A 1 57 ? -16.240 -13.141 46.426 1.00 27.00 ? 57 LEU A CB 1 ATOM 428 C CG . LEU A 1 57 ? -17.357 -13.247 47.453 1.00 29.36 ? 57 LEU A CG 1 ATOM 429 C CD1 . LEU A 1 57 ? -16.708 -13.588 48.785 1.00 31.47 ? 57 LEU A CD1 1 ATOM 430 C CD2 . LEU A 1 57 ? -18.172 -11.987 47.571 1.00 28.24 ? 57 LEU A CD2 1 ATOM 431 N N . PRO A 1 58 ? -15.347 -11.260 43.862 1.00 23.15 ? 58 PRO A N 1 ATOM 432 C CA . PRO A 1 58 ? -14.207 -10.915 42.960 1.00 21.26 ? 58 PRO A CA 1 ATOM 433 C C . PRO A 1 58 ? -12.891 -10.988 43.660 1.00 25.04 ? 58 PRO A C 1 ATOM 434 O O . PRO A 1 58 ? -12.817 -10.656 44.848 1.00 22.32 ? 58 PRO A O 1 ATOM 435 C CB . PRO A 1 58 ? -14.477 -9.469 42.592 1.00 21.72 ? 58 PRO A CB 1 ATOM 436 C CG . PRO A 1 58 ? -15.498 -8.955 43.615 1.00 22.59 ? 58 PRO A CG 1 ATOM 437 C CD . PRO A 1 58 ? -16.268 -10.154 44.086 1.00 20.90 ? 58 PRO A CD 1 ATOM 438 N N . PHE A 1 59 ? -11.829 -11.293 42.900 1.00 25.76 ? 59 PHE A N 1 ATOM 439 C CA . PHE A 1 59 ? -10.512 -11.006 43.392 1.00 25.52 ? 59 PHE A CA 1 ATOM 440 C C . PHE A 1 59 ? -10.416 -9.546 43.751 1.00 27.88 ? 59 PHE A C 1 ATOM 441 O O . PHE A 1 59 ? -10.982 -8.660 43.061 1.00 25.57 ? 59 PHE A O 1 ATOM 442 C CB . PHE A 1 59 ? -9.443 -11.440 42.441 1.00 24.62 ? 59 PHE A CB 1 ATOM 443 C CG . PHE A 1 59 ? -9.236 -12.910 42.427 1.00 27.01 ? 59 PHE A CG 1 ATOM 444 C CD1 . PHE A 1 59 ? -8.675 -13.550 43.546 1.00 26.07 ? 59 PHE A CD1 1 ATOM 445 C CD2 . PHE A 1 59 ? -9.622 -13.680 41.351 1.00 26.37 ? 59 PHE A CD2 1 ATOM 446 C CE1 . PHE A 1 59 ? -8.441 -14.918 43.553 1.00 28.26 ? 59 PHE A CE1 1 ATOM 447 C CE2 . PHE A 1 59 ? -9.420 -15.071 41.387 1.00 27.93 ? 59 PHE A CE2 1 ATOM 448 C CZ . PHE A 1 59 ? -8.842 -15.679 42.481 1.00 26.40 ? 59 PHE A CZ 1 ATOM 449 N N . GLY A 1 60 ? -9.769 -9.338 44.898 1.00 25.72 ? 60 GLY A N 1 ATOM 450 C CA . GLY A 1 60 ? -9.705 -8.074 45.575 1.00 27.30 ? 60 GLY A CA 1 ATOM 451 C C . GLY A 1 60 ? -10.795 -7.821 46.599 1.00 32.57 ? 60 GLY A C 1 ATOM 452 O O . GLY A 1 60 ? -10.707 -6.810 47.308 1.00 34.66 ? 60 GLY A O 1 ATOM 453 N N . TRP A 1 61 ? -11.783 -8.712 46.723 1.00 29.19 ? 61 TRP A N 1 ATOM 454 C CA . TRP A 1 61 ? -12.950 -8.443 47.592 1.00 28.67 ? 61 TRP A CA 1 ATOM 455 C C . TRP A 1 61 ? -12.530 -8.492 49.088 1.00 29.59 ? 61 TRP A C 1 ATOM 456 O O . TRP A 1 61 ? -12.862 -7.607 49.841 1.00 29.63 ? 61 TRP A O 1 ATOM 457 C CB . TRP A 1 61 ? -14.039 -9.439 47.335 1.00 26.36 ? 61 TRP A CB 1 ATOM 458 C CG . TRP A 1 61 ? -15.244 -9.332 48.193 1.00 29.48 ? 61 TRP A CG 1 ATOM 459 C CD1 . TRP A 1 61 ? -15.485 -10.007 49.375 1.00 28.92 ? 61 TRP A CD1 1 ATOM 460 C CD2 . TRP A 1 61 ? -16.408 -8.539 47.946 1.00 29.80 ? 61 TRP A CD2 1 ATOM 461 N NE1 . TRP A 1 61 ? -16.708 -9.674 49.855 1.00 30.11 ? 61 TRP A NE1 1 ATOM 462 C CE2 . TRP A 1 61 ? -17.314 -8.792 48.999 1.00 29.44 ? 61 TRP A CE2 1 ATOM 463 C CE3 . TRP A 1 61 ? -16.793 -7.661 46.904 1.00 30.51 ? 61 TRP A CE3 1 ATOM 464 C CZ2 . TRP A 1 61 ? -18.571 -8.188 49.066 1.00 28.65 ? 61 TRP A CZ2 1 ATOM 465 C CZ3 . TRP A 1 61 ? -18.014 -7.066 46.962 1.00 28.89 ? 61 TRP A CZ3 1 ATOM 466 C CH2 . TRP A 1 61 ? -18.905 -7.327 48.060 1.00 27.19 ? 61 TRP A CH2 1 ATOM 467 N N . THR A 1 62 ? -11.789 -9.518 49.453 1.00 29.76 ? 62 THR A N 1 ATOM 468 C CA . THR A 1 62 ? -11.433 -9.811 50.823 1.00 35.52 ? 62 THR A CA 1 ATOM 469 C C . THR A 1 62 ? -9.976 -9.495 50.878 1.00 37.25 ? 62 THR A C 1 ATOM 470 O O . THR A 1 62 ? -9.196 -10.137 50.186 1.00 33.00 ? 62 THR A O 1 ATOM 471 C CB . THR A 1 62 ? -11.656 -11.311 51.116 1.00 34.34 ? 62 THR A CB 1 ATOM 472 O OG1 . THR A 1 62 ? -13.032 -11.634 50.851 1.00 31.39 ? 62 THR A OG1 1 ATOM 473 C CG2 . THR A 1 62 ? -11.232 -11.675 52.553 1.00 33.13 ? 62 THR A CG2 1 ATOM 474 N N . GLN A 1 63 ? -9.601 -8.538 51.716 1.00 39.76 ? 63 GLN A N 1 ATOM 475 C CA . GLN A 1 63 ? -8.236 -7.987 51.679 1.00 46.27 ? 63 GLN A CA 1 ATOM 476 C C . GLN A 1 63 ? -7.107 -9.054 51.839 1.00 44.27 ? 63 GLN A C 1 ATOM 477 O O . GLN A 1 63 ? -6.057 -9.019 51.141 1.00 46.77 ? 63 GLN A O 1 ATOM 478 C CB . GLN A 1 63 ? -8.153 -6.868 52.738 1.00 53.99 ? 63 GLN A CB 1 ATOM 479 C CG . GLN A 1 63 ? -6.775 -6.254 52.943 1.00 55.93 ? 63 GLN A CG 1 ATOM 480 C CD . GLN A 1 63 ? -6.755 -5.083 53.929 1.00 66.22 ? 63 GLN A CD 1 ATOM 481 O OE1 . GLN A 1 63 ? -5.844 -4.975 54.763 1.00 66.71 ? 63 GLN A OE1 1 ATOM 482 N NE2 . GLN A 1 63 ? -7.746 -4.196 53.833 1.00 67.09 ? 63 GLN A NE2 1 ATOM 483 N N . ARG A 1 64 ? -7.325 -10.004 52.741 1.00 46.39 ? 64 ARG A N 1 ATOM 484 C CA . ARG A 1 64 ? -6.313 -11.039 53.045 1.00 53.03 ? 64 ARG A CA 1 ATOM 485 C C . ARG A 1 64 ? -6.336 -12.249 52.088 1.00 50.17 ? 64 ARG A C 1 ATOM 486 O O . ARG A 1 64 ? -5.499 -13.153 52.214 1.00 57.40 ? 64 ARG A O 1 ATOM 487 C CB . ARG A 1 64 ? -6.440 -11.519 54.503 1.00 59.56 ? 64 ARG A CB 1 ATOM 488 C CG . ARG A 1 64 ? -7.521 -12.561 54.700 1.00 72.25 ? 64 ARG A CG 1 ATOM 489 C CD . ARG A 1 64 ? -8.032 -12.719 56.126 1.00 80.05 ? 64 ARG A CD 1 ATOM 490 N NE . ARG A 1 64 ? -9.475 -12.991 56.094 1.00 85.62 ? 64 ARG A NE 1 ATOM 491 C CZ . ARG A 1 64 ? -10.049 -14.104 55.625 1.00 83.92 ? 64 ARG A CZ 1 ATOM 492 N NH1 . ARG A 1 64 ? -9.324 -15.112 55.137 1.00 88.51 ? 64 ARG A NH1 1 ATOM 493 N NH2 . ARG A 1 64 ? -11.377 -14.213 55.640 1.00 88.03 ? 64 ARG A NH2 1 ATOM 494 N N . LYS A 1 65 ? -7.294 -12.287 51.168 1.00 41.82 ? 65 LYS A N 1 ATOM 495 C CA . LYS A 1 65 ? -7.302 -13.327 50.141 1.00 40.07 ? 65 LYS A CA 1 ATOM 496 C C . LYS A 1 65 ? -6.418 -12.882 48.958 1.00 34.11 ? 65 LYS A C 1 ATOM 497 O O . LYS A 1 65 ? -6.798 -12.008 48.192 1.00 38.23 ? 65 LYS A O 1 ATOM 498 C CB . LYS A 1 65 ? -8.736 -13.680 49.707 1.00 42.63 ? 65 LYS A CB 1 ATOM 499 C CG . LYS A 1 65 ? -9.100 -15.161 49.906 1.00 55.76 ? 65 LYS A CG 1 ATOM 500 C CD . LYS A 1 65 ? -9.857 -15.420 51.206 1.00 59.49 ? 65 LYS A CD 1 ATOM 501 C CE . LYS A 1 65 ? -9.762 -16.857 51.755 1.00 65.66 ? 65 LYS A CE 1 ATOM 502 N NZ . LYS A 1 65 ? -9.517 -17.966 50.778 1.00 71.41 ? 65 LYS A NZ 1 ATOM 503 N N . THR A 1 66 ? -5.264 -13.492 48.816 1.00 27.74 ? 66 THR A N 1 ATOM 504 C CA . THR A 1 66 ? -4.420 -13.258 47.683 1.00 28.53 ? 66 THR A CA 1 ATOM 505 C C . THR A 1 66 ? -4.937 -13.918 46.384 1.00 31.00 ? 66 THR A C 1 ATOM 506 O O . THR A 1 66 ? -5.829 -14.773 46.402 1.00 26.29 ? 66 THR A O 1 ATOM 507 C CB . THR A 1 66 ? -3.026 -13.815 47.926 1.00 27.09 ? 66 THR A CB 1 ATOM 508 O OG1 . THR A 1 66 ? -3.020 -15.257 47.787 1.00 25.62 ? 66 THR A OG1 1 ATOM 509 C CG2 . THR A 1 66 ? -2.526 -13.393 49.287 1.00 31.33 ? 66 THR A CG2 1 ATOM 510 N N . ARG A 1 67 ? -4.304 -13.535 45.281 1.00 26.81 ? 67 ARG A N 1 ATOM 511 C CA . ARG A 1 67 ? -4.392 -14.196 44.027 1.00 21.47 ? 67 ARG A CA 1 ATOM 512 C C . ARG A 1 67 ? -3.061 -14.759 43.733 1.00 23.12 ? 67 ARG A C 1 ATOM 513 O O . ARG A 1 67 ? -2.102 -14.031 43.650 1.00 22.25 ? 67 ARG A O 1 ATOM 514 C CB . ARG A 1 67 ? -4.816 -13.258 42.907 1.00 20.26 ? 67 ARG A CB 1 ATOM 515 C CG . ARG A 1 67 ? -5.169 -14.014 41.595 1.00 22.06 ? 67 ARG A CG 1 ATOM 516 C CD . ARG A 1 67 ? -5.701 -13.057 40.506 1.00 22.41 ? 67 ARG A CD 1 ATOM 517 N NE . ARG A 1 67 ? -6.367 -13.764 39.441 1.00 24.36 ? 67 ARG A NE 1 ATOM 518 C CZ . ARG A 1 67 ? -7.391 -13.307 38.718 1.00 22.20 ? 67 ARG A CZ 1 ATOM 519 N NH1 . ARG A 1 67 ? -7.818 -12.034 38.810 1.00 25.05 ? 67 ARG A NH1 1 ATOM 520 N NH2 . ARG A 1 67 ? -7.941 -14.106 37.830 1.00 19.58 ? 67 ARG A NH2 1 ATOM 521 N N . ASN A 1 68 ? -2.965 -16.096 43.625 1.00 20.44 ? 68 ASN A N 1 ATOM 522 C CA . ASN A 1 68 ? -1.642 -16.692 43.483 1.00 22.43 ? 68 ASN A CA 1 ATOM 523 C C . ASN A 1 68 ? -0.571 -16.229 44.492 1.00 23.12 ? 68 ASN A C 1 ATOM 524 O O . ASN A 1 68 ? 0.615 -16.241 44.191 1.00 22.25 ? 68 ASN A O 1 ATOM 525 C CB . ASN A 1 68 ? -1.149 -16.523 42.059 1.00 20.73 ? 68 ASN A CB 1 ATOM 526 C CG . ASN A 1 68 ? -2.114 -17.121 41.086 1.00 24.70 ? 68 ASN A CG 1 ATOM 527 O OD1 . ASN A 1 68 ? -2.420 -18.321 41.196 1.00 22.50 ? 68 ASN A OD1 1 ATOM 528 N ND2 . ASN A 1 68 ? -2.661 -16.282 40.156 1.00 23.14 ? 68 ASN A ND2 1 ATOM 529 N N . GLY A 1 69 ? -1.003 -15.898 45.687 1.00 24.02 ? 69 GLY A N 1 ATOM 530 C CA . GLY A 1 69 ? -0.080 -15.572 46.761 1.00 30.58 ? 69 GLY A CA 1 ATOM 531 C C . GLY A 1 69 ? 0.279 -14.099 46.857 1.00 31.07 ? 69 GLY A C 1 ATOM 532 O O . GLY A 1 69 ? 1.130 -13.746 47.659 1.00 32.26 ? 69 GLY A O 1 ATOM 533 N N . PHE A 1 70 ? -0.343 -13.258 46.015 1.00 26.80 ? 70 PHE A N 1 ATOM 534 C CA . PHE A 1 70 ? -0.119 -11.813 46.031 1.00 27.12 ? 70 PHE A CA 1 ATOM 535 C C . PHE A 1 70 ? -1.441 -11.094 46.087 1.00 27.07 ? 70 PHE A C 1 ATOM 536 O O . PHE A 1 70 ? -2.427 -11.577 45.524 1.00 27.56 ? 70 PHE A O 1 ATOM 537 C CB . PHE A 1 70 ? 0.668 -11.366 44.812 1.00 28.15 ? 70 PHE A CB 1 ATOM 538 C CG . PHE A 1 70 ? 2.014 -11.980 44.713 1.00 28.69 ? 70 PHE A CG 1 ATOM 539 C CD1 . PHE A 1 70 ? 3.030 -11.529 45.525 1.00 31.79 ? 70 PHE A CD1 1 ATOM 540 C CD2 . PHE A 1 70 ? 2.302 -12.934 43.747 1.00 29.98 ? 70 PHE A CD2 1 ATOM 541 C CE1 . PHE A 1 70 ? 4.303 -12.073 45.424 1.00 32.19 ? 70 PHE A CE1 1 ATOM 542 C CE2 . PHE A 1 70 ? 3.561 -13.496 43.646 1.00 34.09 ? 70 PHE A CE2 1 ATOM 543 C CZ . PHE A 1 70 ? 4.568 -13.037 44.473 1.00 32.78 ? 70 PHE A CZ 1 ATOM 544 N N . ARG A 1 71 ? -1.480 -9.963 46.795 1.00 27.41 ? 71 ARG A N 1 ATOM 545 C CA . ARG A 1 71 ? -2.637 -9.104 46.804 1.00 30.09 ? 71 ARG A CA 1 ATOM 546 C C . ARG A 1 71 ? -2.788 -8.489 45.393 1.00 26.56 ? 71 ARG A C 1 ATOM 547 O O . ARG A 1 71 ? -1.808 -8.246 44.695 1.00 26.86 ? 71 ARG A O 1 ATOM 548 C CB . ARG A 1 71 ? -2.603 -8.040 47.885 1.00 33.53 ? 71 ARG A CB 1 ATOM 549 C CG . ARG A 1 71 ? -3.217 -8.511 49.210 1.00 45.32 ? 71 ARG A CG 1 ATOM 550 C CD . ARG A 1 71 ? -2.562 -7.813 50.398 1.00 49.34 ? 71 ARG A CD 1 ATOM 551 N NE . ARG A 1 71 ? -2.967 -8.489 51.618 1.00 60.56 ? 71 ARG A NE 1 ATOM 552 C CZ . ARG A 1 71 ? -3.536 -7.921 52.678 1.00 65.80 ? 71 ARG A CZ 1 ATOM 553 N NH1 . ARG A 1 71 ? -3.757 -6.606 52.738 1.00 72.52 ? 71 ARG A NH1 1 ATOM 554 N NH2 . ARG A 1 71 ? -3.870 -8.684 53.709 1.00 69.31 ? 71 ARG A NH2 1 ATOM 555 N N . VAL A 1 72 ? -4.016 -8.369 44.965 1.00 25.43 ? 72 VAL A N 1 ATOM 556 C CA . VAL A 1 72 ? -4.306 -7.686 43.700 1.00 27.82 ? 72 VAL A CA 1 ATOM 557 C C . VAL A 1 72 ? -4.315 -6.192 43.970 1.00 25.70 ? 72 VAL A C 1 ATOM 558 O O . VAL A 1 72 ? -4.847 -5.755 44.974 1.00 26.16 ? 72 VAL A O 1 ATOM 559 C CB . VAL A 1 72 ? -5.610 -8.152 42.986 1.00 25.50 ? 72 VAL A CB 1 ATOM 560 C CG1 . VAL A 1 72 ? -5.458 -9.625 42.571 1.00 29.90 ? 72 VAL A CG1 1 ATOM 561 C CG2 . VAL A 1 72 ? -6.876 -7.945 43.780 1.00 28.58 ? 72 VAL A CG2 1 ATOM 562 N N . PRO A 1 73 ? -3.698 -5.402 43.063 1.00 24.52 ? 73 PRO A N 1 ATOM 563 C CA . PRO A 1 73 ? -3.570 -3.977 43.378 1.00 25.40 ? 73 PRO A CA 1 ATOM 564 C C . PRO A 1 73 ? -4.873 -3.272 43.187 1.00 25.30 ? 73 PRO A C 1 ATOM 565 O O . PRO A 1 73 ? -5.702 -3.788 42.437 1.00 25.18 ? 73 PRO A O 1 ATOM 566 C CB . PRO A 1 73 ? -2.528 -3.491 42.368 1.00 24.91 ? 73 PRO A CB 1 ATOM 567 C CG . PRO A 1 73 ? -2.577 -4.491 41.238 1.00 24.87 ? 73 PRO A CG 1 ATOM 568 C CD . PRO A 1 73 ? -2.876 -5.805 41.905 1.00 24.77 ? 73 PRO A CD 1 ATOM 569 N N . LEU A 1 74 ? -5.059 -2.126 43.841 1.00 22.84 ? 74 LEU A N 1 ATOM 570 C CA . LEU A 1 74 ? -6.262 -1.324 43.692 1.00 22.89 ? 74 LEU A CA 1 ATOM 571 C C . LEU A 1 74 ? -6.363 -0.892 42.234 1.00 23.77 ? 74 LEU A C 1 ATOM 572 O O . LEU A 1 74 ? -5.347 -0.526 41.602 1.00 22.36 ? 74 LEU A O 1 ATOM 573 C CB . LEU A 1 74 ? -6.222 -0.062 44.560 1.00 24.86 ? 74 LEU A CB 1 ATOM 574 C CG . LEU A 1 74 ? -6.421 -0.270 46.065 1.00 24.74 ? 74 LEU A CG 1 ATOM 575 C CD1 . LEU A 1 74 ? -5.961 0.943 46.884 1.00 27.02 ? 74 LEU A CD1 1 ATOM 576 C CD2 . LEU A 1 74 ? -7.820 -0.648 46.408 1.00 24.68 ? 74 LEU A CD2 1 ATOM 577 N N . ALA A 1 75 ? -7.577 -0.900 41.735 1.00 19.72 ? 75 ALA A N 1 ATOM 578 C CA . ALA A 1 75 ? -7.792 -0.561 40.340 1.00 22.44 ? 75 ALA A CA 1 ATOM 579 C C . ALA A 1 75 ? -7.364 0.860 40.024 1.00 22.72 ? 75 ALA A C 1 ATOM 580 O O . ALA A 1 75 ? -6.737 1.122 39.000 1.00 21.55 ? 75 ALA A O 1 ATOM 581 C CB . ALA A 1 75 ? -9.219 -0.775 39.977 1.00 19.17 ? 75 ALA A CB 1 ATOM 582 N N . ARG A 1 76 ? -7.760 1.772 40.893 1.00 21.25 ? 76 ARG A N 1 ATOM 583 C CA . ARG A 1 76 ? -7.416 3.169 40.748 1.00 24.01 ? 76 ARG A CA 1 ATOM 584 C C . ARG A 1 76 ? -5.907 3.422 40.831 1.00 25.94 ? 76 ARG A C 1 ATOM 585 O O . ARG A 1 76 ? -5.388 4.393 40.193 1.00 22.45 ? 76 ARG A O 1 ATOM 586 C CB . ARG A 1 76 ? -8.170 3.989 41.782 1.00 24.62 ? 76 ARG A CB 1 ATOM 587 C CG . ARG A 1 76 ? -7.866 5.453 41.789 1.00 26.56 ? 76 ARG A CG 1 ATOM 588 C CD . ARG A 1 76 ? -8.414 6.222 40.548 1.00 25.29 ? 76 ARG A CD 1 ATOM 589 N NE . ARG A 1 76 ? -7.946 7.591 40.733 1.00 25.45 ? 76 ARG A NE 1 ATOM 590 C CZ . ARG A 1 76 ? -7.984 8.585 39.852 1.00 25.04 ? 76 ARG A CZ 1 ATOM 591 N NH1 . ARG A 1 76 ? -8.507 8.456 38.641 1.00 21.86 ? 76 ARG A NH1 1 ATOM 592 N NH2 . ARG A 1 76 ? -7.528 9.773 40.233 1.00 26.03 ? 76 ARG A NH2 1 ATOM 593 N N . GLU A 1 77 ? -5.204 2.571 41.585 1.00 23.01 ? 77 GLU A N 1 ATOM 594 C CA . GLU A 1 77 ? -3.765 2.725 41.680 1.00 24.39 ? 77 GLU A CA 1 ATOM 595 C C . GLU A 1 77 ? -3.080 2.299 40.379 1.00 22.39 ? 77 GLU A C 1 ATOM 596 O O . GLU A 1 77 ? -2.157 2.976 39.889 1.00 25.12 ? 77 GLU A O 1 ATOM 597 C CB . GLU A 1 77 ? -3.210 1.940 42.866 1.00 27.97 ? 77 GLU A CB 1 ATOM 598 C CG . GLU A 1 77 ? -1.742 2.273 43.135 1.00 30.23 ? 77 GLU A CG 1 ATOM 599 C CD . GLU A 1 77 ? -1.232 1.684 44.442 1.00 35.93 ? 77 GLU A CD 1 ATOM 600 O OE1 . GLU A 1 77 ? -2.060 1.378 45.335 1.00 31.82 ? 77 GLU A OE1 1 ATOM 601 O OE2 . GLU A 1 77 ? 0.003 1.539 44.551 1.00 34.90 ? 77 GLU A OE2 1 ATOM 602 N N . VAL A 1 78 ? -3.562 1.213 39.785 1.00 21.68 ? 78 VAL A N 1 ATOM 603 C CA . VAL A 1 78 ? -3.071 0.756 38.487 1.00 22.46 ? 78 VAL A CA 1 ATOM 604 C C . VAL A 1 78 ? -3.328 1.889 37.469 1.00 21.36 ? 78 VAL A C 1 ATOM 605 O O . VAL A 1 78 ? -2.442 2.278 36.667 1.00 21.00 ? 78 VAL A O 1 ATOM 606 C CB . VAL A 1 78 ? -3.717 -0.585 38.030 1.00 23.86 ? 78 VAL A CB 1 ATOM 607 C CG1 . VAL A 1 78 ? -3.316 -0.939 36.611 1.00 23.58 ? 78 VAL A CG1 1 ATOM 608 C CG2 . VAL A 1 78 ? -3.413 -1.745 39.005 1.00 24.18 ? 78 VAL A CG2 1 ATOM 609 N N . SER A 1 79 ? -4.520 2.455 37.552 1.00 20.88 ? 79 SER A N 1 ATOM 610 C CA . SER A 1 79 ? -4.918 3.518 36.685 1.00 21.26 ? 79 SER A CA 1 ATOM 611 C C . SER A 1 79 ? -3.977 4.768 36.774 1.00 23.64 ? 79 SER A C 1 ATOM 612 O O . SER A 1 79 ? -3.468 5.224 35.739 1.00 23.09 ? 79 SER A O 1 ATOM 613 C CB . SER A 1 79 ? -6.326 3.931 36.998 1.00 19.22 ? 79 SER A CB 1 ATOM 614 O OG . SER A 1 79 ? -6.667 5.054 36.246 1.00 19.18 ? 79 SER A OG 1 ATOM 615 N N . ASN A 1 80 ? -3.738 5.241 38.009 1.00 21.27 ? 80 ASN A N 1 ATOM 616 C CA . ASN A 1 80 ? -2.890 6.359 38.293 1.00 22.41 ? 80 ASN A CA 1 ATOM 617 C C . ASN A 1 80 ? -1.467 6.091 37.870 1.00 21.42 ? 80 ASN A C 1 ATOM 618 O O . ASN A 1 80 ? -0.853 6.972 37.376 1.00 22.46 ? 80 ASN A O 1 ATOM 619 C CB . ASN A 1 80 ? -2.863 6.688 39.776 1.00 23.68 ? 80 ASN A CB 1 ATOM 620 C CG . ASN A 1 80 ? -4.168 7.252 40.260 1.00 25.96 ? 80 ASN A CG 1 ATOM 621 O OD1 . ASN A 1 80 ? -5.026 7.620 39.451 1.00 20.65 ? 80 ASN A OD1 1 ATOM 622 N ND2 . ASN A 1 80 ? -4.324 7.349 41.598 1.00 29.35 ? 80 ASN A ND2 1 ATOM 623 N N . LYS A 1 81 ? -0.949 4.913 38.089 1.00 22.22 ? 81 LYS A N 1 ATOM 624 C CA . LYS A 1 81 ? 0.465 4.672 37.867 1.00 23.94 ? 81 LYS A CA 1 ATOM 625 C C . LYS A 1 81 ? 0.756 4.287 36.439 1.00 24.61 ? 81 LYS A C 1 ATOM 626 O O . LYS A 1 81 ? 1.891 4.396 35.987 1.00 21.11 ? 81 LYS A O 1 ATOM 627 C CB . LYS A 1 81 ? 1.034 3.646 38.854 1.00 26.24 ? 81 LYS A CB 1 ATOM 628 C CG . LYS A 1 81 ? 1.290 4.208 40.251 1.00 30.17 ? 81 LYS A CG 1 ATOM 629 C CD . LYS A 1 81 ? 1.918 3.182 41.207 1.00 31.69 ? 81 LYS A CD 1 ATOM 630 C CE . LYS A 1 81 ? 1.869 3.621 42.709 1.00 33.34 ? 81 LYS A CE 1 ATOM 631 N NZ . LYS A 1 81 ? 2.019 2.471 43.663 1.00 31.26 ? 81 LYS A NZ 1 ATOM 632 N N . ILE A 1 82 ? -0.221 3.734 35.735 1.00 20.27 ? 82 ILE A N 1 ATOM 633 C CA . ILE A 1 82 ? 0.114 3.166 34.435 1.00 23.12 ? 82 ILE A CA 1 ATOM 634 C C . ILE A 1 82 ? -0.655 3.772 33.301 1.00 23.08 ? 82 ILE A C 1 ATOM 635 O O . ILE A 1 82 ? -0.097 3.927 32.177 1.00 19.97 ? 82 ILE A O 1 ATOM 636 C CB . ILE A 1 82 ? -0.110 1.624 34.440 1.00 24.35 ? 82 ILE A CB 1 ATOM 637 C CG1 . ILE A 1 82 ? 1.033 0.939 35.226 1.00 28.24 ? 82 ILE A CG1 1 ATOM 638 C CG2 . ILE A 1 82 ? -0.197 1.053 33.037 1.00 24.02 ? 82 ILE A CG2 1 ATOM 639 C CD1 . ILE A 1 82 ? 0.792 -0.499 35.585 1.00 30.27 ? 82 ILE A CD1 1 ATOM 640 N N . VAL A 1 83 ? -1.934 4.068 33.552 1.00 20.59 ? 83 VAL A N 1 ATOM 641 C CA . VAL A 1 83 ? -2.873 4.380 32.483 1.00 19.66 ? 83 VAL A CA 1 ATOM 642 C C . VAL A 1 83 ? -2.892 5.885 32.171 1.00 21.42 ? 83 VAL A C 1 ATOM 643 O O . VAL A 1 83 ? -3.215 6.300 31.060 1.00 18.01 ? 83 VAL A O 1 ATOM 644 C CB . VAL A 1 83 ? -4.292 3.800 32.813 1.00 19.40 ? 83 VAL A CB 1 ATOM 645 C CG1 . VAL A 1 83 ? -5.311 4.100 31.716 1.00 21.87 ? 83 VAL A CG1 1 ATOM 646 C CG2 . VAL A 1 83 ? -4.208 2.298 33.079 1.00 19.03 ? 83 VAL A CG2 1 ATOM 647 N N . GLY A 1 84 ? -2.506 6.714 33.133 1.00 22.34 ? 84 GLY A N 1 ATOM 648 C CA . GLY A 1 84 ? -2.684 8.142 33.021 1.00 22.46 ? 84 GLY A CA 1 ATOM 649 C C . GLY A 1 84 ? -1.480 8.858 32.433 1.00 20.63 ? 84 GLY A C 1 ATOM 650 O O . GLY A 1 84 ? -0.365 8.278 32.288 1.00 20.82 ? 84 GLY A O 1 ATOM 651 N N . TYR A 1 85 ? -1.762 10.068 31.973 1.00 21.89 ? 85 TYR A N 1 ATOM 652 C CA . TYR A 1 85 ? -0.736 10.927 31.350 1.00 24.08 ? 85 TYR A CA 1 ATOM 653 C C . TYR A 1 85 ? -1.259 12.332 31.324 1.00 25.96 ? 85 TYR A C 1 ATOM 654 O O . TYR A 1 85 ? -2.490 12.543 31.358 1.00 23.05 ? 85 TYR A O 1 ATOM 655 C CB . TYR A 1 85 ? -0.380 10.454 29.913 1.00 22.79 ? 85 TYR A CB 1 ATOM 656 C CG . TYR A 1 85 ? -1.486 10.609 28.881 1.00 20.89 ? 85 TYR A CG 1 ATOM 657 C CD1 . TYR A 1 85 ? -2.488 9.628 28.738 1.00 20.72 ? 85 TYR A CD1 1 ATOM 658 C CD2 . TYR A 1 85 ? -1.542 11.712 28.041 1.00 21.13 ? 85 TYR A CD2 1 ATOM 659 C CE1 . TYR A 1 85 ? -3.507 9.761 27.840 1.00 19.98 ? 85 TYR A CE1 1 ATOM 660 C CE2 . TYR A 1 85 ? -2.547 11.838 27.122 1.00 21.48 ? 85 TYR A CE2 1 ATOM 661 C CZ . TYR A 1 85 ? -3.532 10.864 27.032 1.00 19.77 ? 85 TYR A CZ 1 ATOM 662 O OH . TYR A 1 85 ? -4.560 11.008 26.145 1.00 22.44 ? 85 TYR A OH 1 ATOM 663 N N . LEU A 1 86 ? -0.327 13.278 31.166 1.00 24.53 ? 86 LEU A N 1 ATOM 664 C CA . LEU A 1 86 ? -0.652 14.681 31.182 1.00 28.37 ? 86 LEU A CA 1 ATOM 665 C C . LEU A 1 86 ? -0.702 15.321 29.811 1.00 25.29 ? 86 LEU A C 1 ATOM 666 O O . LEU A 1 86 ? -1.571 16.069 29.560 1.00 25.50 ? 86 LEU A O 1 ATOM 667 C CB . LEU A 1 86 ? 0.323 15.433 32.064 1.00 31.08 ? 86 LEU A CB 1 ATOM 668 C CG . LEU A 1 86 ? 0.245 15.023 33.532 1.00 37.32 ? 86 LEU A CG 1 ATOM 669 C CD1 . LEU A 1 86 ? 1.322 15.742 34.311 1.00 39.80 ? 86 LEU A CD1 1 ATOM 670 C CD2 . LEU A 1 86 ? -1.144 15.327 34.134 1.00 39.42 ? 86 LEU A CD2 1 ATOM 671 N N . ASP A 1 87 ? 0.260 15.030 28.951 1.00 25.99 ? 87 ASP A N 1 ATOM 672 C CA . ASP A 1 87 ? 0.471 15.803 27.745 1.00 27.50 ? 87 ASP A CA 1 ATOM 673 C C . ASP A 1 87 ? -0.264 15.147 26.583 1.00 23.77 ? 87 ASP A C 1 ATOM 674 O O . ASP A 1 87 ? 0.116 14.091 26.096 1.00 25.32 ? 87 ASP A O 1 ATOM 675 C CB . ASP A 1 87 ? 1.977 15.828 27.463 1.00 29.62 ? 87 ASP A CB 1 ATOM 676 C CG . ASP A 1 87 ? 2.334 16.669 26.260 1.00 33.07 ? 87 ASP A CG 1 ATOM 677 O OD1 . ASP A 1 87 ? 1.446 17.336 25.698 1.00 27.25 ? 87 ASP A OD1 1 ATOM 678 O OD2 . ASP A 1 87 ? 3.552 16.655 25.907 1.00 33.91 ? 87 ASP A OD2 1 ATOM 679 N N . GLU A 1 88 ? -1.280 15.827 26.111 1.00 24.97 ? 88 GLU A N 1 ATOM 680 C CA . GLU A 1 88 ? -2.047 15.400 24.949 1.00 23.69 ? 88 GLU A CA 1 ATOM 681 C C . GLU A 1 88 ? -1.348 15.737 23.610 1.00 26.33 ? 88 GLU A C 1 ATOM 682 O O . GLU A 1 88 ? -1.813 15.327 22.525 1.00 21.73 ? 88 GLU A O 1 ATOM 683 C CB . GLU A 1 88 ? -3.390 16.072 24.962 1.00 24.93 ? 88 GLU A CB 1 ATOM 684 C CG . GLU A 1 88 ? -4.291 15.714 26.159 1.00 24.77 ? 88 GLU A CG 1 ATOM 685 C CD . GLU A 1 88 ? -4.881 14.316 26.138 1.00 21.97 ? 88 GLU A CD 1 ATOM 686 O OE1 . GLU A 1 88 ? -4.683 13.580 25.156 1.00 21.64 ? 88 GLU A OE1 1 ATOM 687 O OE2 . GLU A 1 88 ? -5.585 13.940 27.113 1.00 24.45 ? 88 GLU A OE2 1 ATOM 688 N N . GLU A 1 89 ? -0.250 16.496 23.654 1.00 28.23 ? 89 GLU A N 1 ATOM 689 C CA . GLU A 1 89 ? 0.452 16.783 22.412 1.00 29.83 ? 89 GLU A CA 1 ATOM 690 C C . GLU A 1 89 ? 0.986 15.483 21.888 1.00 28.70 ? 89 GLU A C 1 ATOM 691 O O . GLU A 1 89 ? 1.556 14.664 22.623 1.00 29.73 ? 89 GLU A O 1 ATOM 692 C CB . GLU A 1 89 ? 1.549 17.830 22.608 1.00 36.20 ? 89 GLU A CB 1 ATOM 693 C CG . GLU A 1 89 ? 2.152 18.348 21.279 1.00 41.91 ? 89 GLU A CG 1 ATOM 694 C CD . GLU A 1 89 ? 3.356 17.544 20.829 1.00 51.23 ? 89 GLU A CD 1 ATOM 695 O OE1 . GLU A 1 89 ? 3.490 17.278 19.607 1.00 69.88 ? 89 GLU A OE1 1 ATOM 696 O OE2 . GLU A 1 89 ? 4.180 17.164 21.691 1.00 61.77 ? 89 GLU A OE2 1 ATOM 697 N N . GLY A 1 90 ? 0.754 15.231 20.607 1.00 26.59 ? 90 GLY A N 1 ATOM 698 C CA . GLY A 1 90 ? 1.463 14.136 19.951 1.00 28.38 ? 90 GLY A CA 1 ATOM 699 C C . GLY A 1 90 ? 0.756 12.810 20.106 1.00 29.02 ? 90 GLY A C 1 ATOM 700 O O . GLY A 1 90 ? 1.247 11.798 19.680 1.00 23.74 ? 90 GLY A O 1 ATOM 701 N N . VAL A 1 91 ? -0.467 12.819 20.641 1.00 28.12 ? 91 VAL A N 1 ATOM 702 C CA . VAL A 1 91 ? -1.090 11.558 20.946 1.00 25.11 ? 91 VAL A CA 1 ATOM 703 C C . VAL A 1 91 ? -1.990 11.026 19.845 1.00 22.53 ? 91 VAL A C 1 ATOM 704 O O . VAL A 1 91 ? -2.547 9.933 19.966 1.00 22.33 ? 91 VAL A O 1 ATOM 705 C CB . VAL A 1 91 ? -1.857 11.715 22.289 1.00 25.31 ? 91 VAL A CB 1 ATOM 706 C CG1 . VAL A 1 91 ? -3.235 12.313 22.027 1.00 23.31 ? 91 VAL A CG1 1 ATOM 707 C CG2 . VAL A 1 91 ? -1.888 10.400 23.034 1.00 27.54 ? 91 VAL A CG2 1 ATOM 708 N N . LEU A 1 92 ? -2.226 11.808 18.792 1.00 23.12 ? 92 LEU A N 1 ATOM 709 C CA . LEU A 1 92 ? -3.220 11.444 17.795 1.00 23.61 ? 92 LEU A CA 1 ATOM 710 C C . LEU A 1 92 ? -2.722 10.436 16.799 1.00 23.81 ? 92 LEU A C 1 ATOM 711 O O . LEU A 1 92 ? -1.523 10.355 16.517 1.00 24.42 ? 92 LEU A O 1 ATOM 712 C CB . LEU A 1 92 ? -3.779 12.675 17.110 1.00 26.85 ? 92 LEU A CB 1 ATOM 713 C CG . LEU A 1 92 ? -4.465 13.683 18.042 1.00 28.38 ? 92 LEU A CG 1 ATOM 714 C CD1 . LEU A 1 92 ? -4.951 14.933 17.275 1.00 30.02 ? 92 LEU A CD1 1 ATOM 715 C CD2 . LEU A 1 92 ? -5.637 13.067 18.799 1.00 32.21 ? 92 LEU A CD2 1 ATOM 716 N N . ASP A 1 93 ? -3.647 9.635 16.343 1.00 21.13 ? 93 ASP A N 1 ATOM 717 C CA . ASP A 1 93 ? -3.448 8.588 15.368 1.00 24.20 ? 93 ASP A CA 1 ATOM 718 C C . ASP A 1 93 ? -3.359 9.240 13.964 1.00 26.12 ? 93 ASP A C 1 ATOM 719 O O . ASP A 1 93 ? -4.375 9.644 13.391 1.00 23.08 ? 93 ASP A O 1 ATOM 720 C CB . ASP A 1 93 ? -4.622 7.559 15.439 1.00 22.52 ? 93 ASP A CB 1 ATOM 721 C CG . ASP A 1 93 ? -4.332 6.300 14.663 1.00 26.33 ? 93 ASP A CG 1 ATOM 722 O OD1 . ASP A 1 93 ? -3.525 6.378 13.678 1.00 23.28 ? 93 ASP A OD1 1 ATOM 723 O OD2 . ASP A 1 93 ? -4.809 5.195 15.053 1.00 21.30 ? 93 ASP A OD2 1 ATOM 724 N N . GLN A 1 94 ? -2.145 9.252 13.406 1.00 28.05 ? 94 GLN A N 1 ATOM 725 C CA . GLN A 1 94 ? -1.938 9.830 12.065 1.00 31.37 ? 94 GLN A CA 1 ATOM 726 C C . GLN A 1 94 ? -2.651 9.069 10.975 1.00 30.65 ? 94 GLN A C 1 ATOM 727 O O . GLN A 1 94 ? -2.865 9.597 9.893 1.00 30.02 ? 94 GLN A O 1 ATOM 728 C CB . GLN A 1 94 ? -0.459 9.946 11.704 1.00 31.07 ? 94 GLN A CB 1 ATOM 729 C CG . GLN A 1 94 ? 0.346 10.799 12.620 1.00 37.38 ? 94 GLN A CG 1 ATOM 730 C CD . GLN A 1 94 ? -0.309 12.159 12.883 1.00 40.84 ? 94 GLN A CD 1 ATOM 731 O OE1 . GLN A 1 94 ? -0.390 13.021 11.998 1.00 42.95 ? 94 GLN A OE1 1 ATOM 732 N NE2 . GLN A 1 94 ? -0.763 12.355 14.115 1.00 39.02 ? 94 GLN A NE2 1 ATOM 733 N N . ASN A 1 95 ? -3.069 7.839 11.212 1.00 27.84 ? 95 ASN A N 1 ATOM 734 C CA . ASN A 1 95 ? -3.841 7.209 10.159 1.00 28.57 ? 95 ASN A CA 1 ATOM 735 C C . ASN A 1 95 ? -5.217 6.608 10.491 1.00 29.63 ? 95 ASN A C 1 ATOM 736 O O . ASN A 1 95 ? -5.720 5.730 9.765 1.00 30.10 ? 95 ASN A O 1 ATOM 737 C CB . ASN A 1 95 ? -2.903 6.323 9.340 1.00 34.93 ? 95 ASN A CB 1 ATOM 738 C CG . ASN A 1 95 ? -3.404 6.135 7.929 1.00 43.80 ? 95 ASN A CG 1 ATOM 739 O OD1 . ASN A 1 95 ? -4.023 7.042 7.289 1.00 37.38 ? 95 ASN A OD1 1 ATOM 740 N ND2 . ASN A 1 95 ? -3.177 4.948 7.435 1.00 56.22 ? 95 ASN A ND2 1 ATOM 741 N N . ARG A 1 96 ? -5.894 7.162 11.506 1.00 24.16 ? 96 ARG A N 1 ATOM 742 C CA . ARG A 1 96 ? -7.253 6.808 11.740 1.00 21.55 ? 96 ARG A CA 1 ATOM 743 C C . ARG A 1 96 ? -8.117 8.026 12.089 1.00 24.55 ? 96 ARG A C 1 ATOM 744 O O . ARG A 1 96 ? -7.843 8.743 13.041 1.00 25.29 ? 96 ARG A O 1 ATOM 745 C CB . ARG A 1 96 ? -7.359 5.775 12.879 1.00 20.93 ? 96 ARG A CB 1 ATOM 746 C CG . ARG A 1 96 ? -6.738 4.431 12.666 1.00 20.58 ? 96 ARG A CG 1 ATOM 747 C CD . ARG A 1 96 ? -7.481 3.509 11.683 1.00 24.13 ? 96 ARG A CD 1 ATOM 748 N NE . ARG A 1 96 ? -6.773 2.213 11.683 1.00 25.18 ? 96 ARG A NE 1 ATOM 749 C CZ . ARG A 1 96 ? -5.630 1.952 11.013 1.00 29.29 ? 96 ARG A CZ 1 ATOM 750 N NH1 . ARG A 1 96 ? -5.040 2.866 10.210 1.00 27.61 ? 96 ARG A NH1 1 ATOM 751 N NH2 . ARG A 1 96 ? -5.051 0.765 11.141 1.00 28.37 ? 96 ARG A NH2 1 ATOM 752 N N . SER A 1 97 ? -9.217 8.190 11.385 1.00 26.12 ? 97 SER A N 1 ATOM 753 C CA . SER A 1 97 ? -10.154 9.240 11.756 1.00 25.33 ? 97 SER A CA 1 ATOM 754 C C . SER A 1 97 ? -10.818 8.970 13.113 1.00 23.66 ? 97 SER A C 1 ATOM 755 O O . SER A 1 97 ? -10.768 7.872 13.657 1.00 19.90 ? 97 SER A O 1 ATOM 756 C CB . SER A 1 97 ? -11.249 9.377 10.735 1.00 24.00 ? 97 SER A CB 1 ATOM 757 O OG . SER A 1 97 ? -12.142 8.288 10.731 1.00 25.49 ? 97 SER A OG 1 ATOM 758 N N . LEU A 1 98 ? -11.473 10.000 13.617 1.00 22.87 ? 98 LEU A N 1 ATOM 759 C CA . LEU A 1 98 ? -12.260 9.872 14.883 1.00 24.75 ? 98 LEU A CA 1 ATOM 760 C C . LEU A 1 98 ? -13.421 8.915 14.705 1.00 24.98 ? 98 LEU A C 1 ATOM 761 O O . LEU A 1 98 ? -13.902 8.279 15.656 1.00 23.39 ? 98 LEU A O 1 ATOM 762 C CB . LEU A 1 98 ? -12.731 11.246 15.344 1.00 20.52 ? 98 LEU A CB 1 ATOM 763 C CG . LEU A 1 98 ? -13.385 11.329 16.734 1.00 20.61 ? 98 LEU A CG 1 ATOM 764 C CD1 . LEU A 1 98 ? -12.428 10.832 17.813 1.00 20.62 ? 98 LEU A CD1 1 ATOM 765 C CD2 . LEU A 1 98 ? -13.696 12.778 16.984 1.00 22.53 ? 98 LEU A CD2 1 ATOM 766 N N . LEU A 1 99 ? -13.918 8.847 13.464 1.00 27.62 ? 99 LEU A N 1 ATOM 767 C CA . LEU A 1 99 ? -14.952 7.878 13.157 1.00 26.80 ? 99 LEU A CA 1 ATOM 768 C C . LEU A 1 99 ? -14.510 6.434 13.456 1.00 24.16 ? 99 LEU A C 1 ATOM 769 O O . LEU A 1 99 ? -15.353 5.622 13.807 1.00 24.51 ? 99 LEU A O 1 ATOM 770 C CB . LEU A 1 99 ? -15.429 8.015 11.714 1.00 27.02 ? 99 LEU A CB 1 ATOM 771 C CG . LEU A 1 99 ? -16.544 7.079 11.249 1.00 28.58 ? 99 LEU A CG 1 ATOM 772 C CD1 . LEU A 1 99 ? -17.927 7.398 11.852 1.00 29.59 ? 99 LEU A CD1 1 ATOM 773 C CD2 . LEU A 1 99 ? -16.589 7.086 9.732 1.00 31.17 ? 99 LEU A CD2 1 ATOM 774 N N . PHE A 1 100 ? -13.215 6.132 13.356 1.00 22.59 ? 100 PHE A N 1 ATOM 775 C CA . PHE A 1 100 ? -12.688 4.814 13.680 1.00 21.53 ? 100 PHE A CA 1 ATOM 776 C C . PHE A 1 100 ? -12.971 4.436 15.114 1.00 22.99 ? 100 PHE A C 1 ATOM 777 O O . PHE A 1 100 ? -13.513 3.368 15.350 1.00 23.93 ? 100 PHE A O 1 ATOM 778 C CB . PHE A 1 100 ? -11.212 4.761 13.388 1.00 21.47 ? 100 PHE A CB 1 ATOM 779 C CG . PHE A 1 100 ? -10.505 3.519 13.849 1.00 23.37 ? 100 PHE A CG 1 ATOM 780 C CD1 . PHE A 1 100 ? -10.746 2.281 13.235 1.00 27.27 ? 100 PHE A CD1 1 ATOM 781 C CD2 . PHE A 1 100 ? -9.513 3.584 14.829 1.00 21.57 ? 100 PHE A CD2 1 ATOM 782 C CE1 . PHE A 1 100 ? -10.005 1.161 13.620 1.00 26.03 ? 100 PHE A CE1 1 ATOM 783 C CE2 . PHE A 1 100 ? -8.808 2.467 15.242 1.00 21.97 ? 100 PHE A CE2 1 ATOM 784 C CZ . PHE A 1 100 ? -9.064 1.242 14.615 1.00 23.89 ? 100 PHE A CZ 1 ATOM 785 N N . MET A 1 101 ? -12.685 5.355 16.035 1.00 20.04 ? 101 MET A N 1 ATOM 786 C CA . MET A 1 101 ? -13.111 5.244 17.439 1.00 20.01 ? 101 MET A CA 1 ATOM 787 C C . MET A 1 101 ? -14.585 5.053 17.501 1.00 21.32 ? 101 MET A C 1 ATOM 788 O O . MET A 1 101 ? -15.128 4.071 18.097 1.00 20.49 ? 101 MET A O 1 ATOM 789 C CB . MET A 1 101 ? -12.645 6.460 18.256 1.00 17.44 ? 101 MET A CB 1 ATOM 790 C CG . MET A 1 101 ? -12.943 6.411 19.708 1.00 17.85 ? 101 MET A CG 1 ATOM 791 S SD . MET A 1 101 ? -14.668 6.831 20.067 1.00 20.07 ? 101 MET A SD 1 ATOM 792 C CE . MET A 1 101 ? -14.820 8.542 19.611 1.00 20.34 ? 101 MET A CE 1 ATOM 793 N N . GLN A 1 102 ? -15.290 5.957 16.856 1.00 22.96 ? 102 GLN A N 1 ATOM 794 C CA . GLN A 1 102 ? -16.732 5.954 17.048 1.00 20.28 ? 102 GLN A CA 1 ATOM 795 C C . GLN A 1 102 ? -17.447 4.710 16.514 1.00 19.13 ? 102 GLN A C 1 ATOM 796 O O . GLN A 1 102 ? -18.420 4.210 17.130 1.00 19.60 ? 102 GLN A O 1 ATOM 797 C CB . GLN A 1 102 ? -17.366 7.247 16.508 1.00 22.11 ? 102 GLN A CB 1 ATOM 798 C CG . GLN A 1 102 ? -18.799 7.480 16.971 1.00 22.43 ? 102 GLN A CG 1 ATOM 799 C CD . GLN A 1 102 ? -18.870 7.470 18.469 1.00 23.14 ? 102 GLN A CD 1 ATOM 800 O OE1 . GLN A 1 102 ? -18.326 8.361 19.093 1.00 23.46 ? 102 GLN A OE1 1 ATOM 801 N NE2 . GLN A 1 102 ? -19.478 6.436 19.055 1.00 23.18 ? 102 GLN A NE2 1 ATOM 802 N N . TRP A 1 103 ? -17.012 4.174 15.426 1.00 19.87 ? 103 TRP A N 1 ATOM 803 C CA . TRP A 1 103 ? -17.666 2.980 14.879 1.00 23.68 ? 103 TRP A CA 1 ATOM 804 C C . TRP A 1 103 ? -17.380 1.779 15.773 1.00 24.23 ? 103 TRP A C 1 ATOM 805 O O . TRP A 1 103 ? -18.285 0.939 16.010 1.00 24.27 ? 103 TRP A O 1 ATOM 806 C CB . TRP A 1 103 ? -17.158 2.676 13.450 1.00 24.26 ? 103 TRP A CB 1 ATOM 807 C CG . TRP A 1 103 ? -17.906 1.567 12.829 1.00 24.96 ? 103 TRP A CG 1 ATOM 808 C CD1 . TRP A 1 103 ? -17.454 0.321 12.587 1.00 25.74 ? 103 TRP A CD1 1 ATOM 809 C CD2 . TRP A 1 103 ? -19.247 1.600 12.405 1.00 27.19 ? 103 TRP A CD2 1 ATOM 810 N NE1 . TRP A 1 103 ? -18.439 -0.438 12.065 1.00 27.58 ? 103 TRP A NE1 1 ATOM 811 C CE2 . TRP A 1 103 ? -19.547 0.336 11.890 1.00 29.02 ? 103 TRP A CE2 1 ATOM 812 C CE3 . TRP A 1 103 ? -20.231 2.589 12.376 1.00 29.19 ? 103 TRP A CE3 1 ATOM 813 C CZ2 . TRP A 1 103 ? -20.801 0.013 11.381 1.00 30.66 ? 103 TRP A CZ2 1 ATOM 814 C CZ3 . TRP A 1 103 ? -21.501 2.267 11.861 1.00 32.54 ? 103 TRP A CZ3 1 ATOM 815 C CH2 . TRP A 1 103 ? -21.757 0.993 11.350 1.00 31.44 ? 103 TRP A CH2 1 ATOM 816 N N . GLY A 1 104 ? -16.154 1.722 16.306 1.00 22.44 ? 104 GLY A N 1 ATOM 817 C CA . GLY A 1 104 ? -15.848 0.722 17.342 1.00 21.47 ? 104 GLY A CA 1 ATOM 818 C C . GLY A 1 104 ? -16.907 0.690 18.454 1.00 19.03 ? 104 GLY A C 1 ATOM 819 O O . GLY A 1 104 ? -17.359 -0.407 18.879 1.00 17.12 ? 104 GLY A O 1 ATOM 820 N N . GLN A 1 105 ? -17.264 1.847 18.973 1.00 20.19 ? 105 GLN A N 1 ATOM 821 C CA . GLN A 1 105 ? -18.250 1.932 20.068 1.00 20.89 ? 105 GLN A CA 1 ATOM 822 C C . GLN A 1 105 ? -19.613 1.475 19.615 1.00 20.35 ? 105 GLN A C 1 ATOM 823 O O . GLN A 1 105 ? -20.374 0.807 20.376 1.00 20.35 ? 105 GLN A O 1 ATOM 824 C CB . GLN A 1 105 ? -18.268 3.318 20.740 1.00 21.55 ? 105 GLN A CB 1 ATOM 825 C CG . GLN A 1 105 ? -19.130 3.360 22.003 1.00 22.94 ? 105 GLN A CG 1 ATOM 826 C CD . GLN A 1 105 ? -19.236 4.749 22.607 1.00 21.77 ? 105 GLN A CD 1 ATOM 827 O OE1 . GLN A 1 105 ? -19.299 5.772 21.925 1.00 20.08 ? 105 GLN A OE1 1 ATOM 828 N NE2 . GLN A 1 105 ? -19.238 4.781 23.899 1.00 19.65 ? 105 GLN A NE2 1 ATOM 829 N N . ILE A 1 106 ? -19.967 1.835 18.383 1.00 21.45 ? 106 ILE A N 1 ATOM 830 C CA . ILE A 1 106 ? -21.259 1.441 17.814 1.00 21.73 ? 106 ILE A CA 1 ATOM 831 C C . ILE A 1 106 ? -21.349 -0.056 17.720 1.00 21.37 ? 106 ILE A C 1 ATOM 832 O O . ILE A 1 106 ? -22.296 -0.683 18.225 1.00 21.27 ? 106 ILE A O 1 ATOM 833 C CB . ILE A 1 106 ? -21.416 2.103 16.429 1.00 23.04 ? 106 ILE A CB 1 ATOM 834 C CG1 . ILE A 1 106 ? -21.780 3.565 16.632 1.00 24.73 ? 106 ILE A CG1 1 ATOM 835 C CG2 . ILE A 1 106 ? -22.398 1.372 15.521 1.00 24.69 ? 106 ILE A CG2 1 ATOM 836 C CD1 . ILE A 1 106 ? -23.213 3.829 17.061 1.00 26.80 ? 106 ILE A CD1 1 ATOM 837 N N . VAL A 1 107 ? -20.307 -0.658 17.154 1.00 20.55 ? 107 VAL A N 1 ATOM 838 C CA . VAL A 1 107 ? -20.265 -2.124 17.077 1.00 19.90 ? 107 VAL A CA 1 ATOM 839 C C . VAL A 1 107 ? -20.333 -2.807 18.425 1.00 18.45 ? 107 VAL A C 1 ATOM 840 O O . VAL A 1 107 ? -21.134 -3.714 18.626 1.00 21.09 ? 107 VAL A O 1 ATOM 841 C CB . VAL A 1 107 ? -19.056 -2.609 16.273 1.00 21.05 ? 107 VAL A CB 1 ATOM 842 C CG1 . VAL A 1 107 ? -18.968 -4.122 16.252 1.00 21.83 ? 107 VAL A CG1 1 ATOM 843 C CG2 . VAL A 1 107 ? -19.184 -2.155 14.817 1.00 24.99 ? 107 VAL A CG2 1 ATOM 844 N N . ASP A 1 108 ? -19.584 -2.270 19.394 1.00 17.70 ? 108 ASP A N 1 ATOM 845 C CA . ASP A 1 108 ? -19.564 -2.833 20.747 1.00 18.53 ? 108 ASP A CA 1 ATOM 846 C C . ASP A 1 108 ? -21.010 -2.789 21.279 1.00 17.52 ? 108 ASP A C 1 ATOM 847 O O . ASP A 1 108 ? -21.495 -3.771 21.901 1.00 19.13 ? 108 ASP A O 1 ATOM 848 C CB . ASP A 1 108 ? -18.723 -1.955 21.641 1.00 16.15 ? 108 ASP A CB 1 ATOM 849 C CG . ASP A 1 108 ? -18.600 -2.463 22.945 1.00 17.54 ? 108 ASP A CG 1 ATOM 850 O OD1 . ASP A 1 108 ? -19.562 -2.356 23.748 1.00 18.51 ? 108 ASP A OD1 1 ATOM 851 O OD2 . ASP A 1 108 ? -17.468 -2.979 23.323 1.00 17.73 ? 108 ASP A OD2 1 ATOM 852 N N . HIS A 1 109 ? -21.696 -1.681 21.018 1.00 18.49 ? 109 HIS A N 1 ATOM 853 C CA . HIS A 1 109 ? -23.043 -1.522 21.591 1.00 20.23 ? 109 HIS A CA 1 ATOM 854 C C . HIS A 1 109 ? -24.087 -2.400 20.888 1.00 19.64 ? 109 HIS A C 1 ATOM 855 O O . HIS A 1 109 ? -25.090 -2.837 21.503 1.00 20.01 ? 109 HIS A O 1 ATOM 856 C CB . HIS A 1 109 ? -23.424 -0.072 21.643 1.00 19.03 ? 109 HIS A CB 1 ATOM 857 C CG . HIS A 1 109 ? -22.722 0.691 22.711 1.00 18.88 ? 109 HIS A CG 1 ATOM 858 N ND1 . HIS A 1 109 ? -23.057 1.983 23.042 1.00 21.50 ? 109 HIS A ND1 1 ATOM 859 C CD2 . HIS A 1 109 ? -21.735 0.334 23.549 1.00 21.10 ? 109 HIS A CD2 1 ATOM 860 C CE1 . HIS A 1 109 ? -22.295 2.394 24.026 1.00 21.89 ? 109 HIS A CE1 1 ATOM 861 N NE2 . HIS A 1 109 ? -21.449 1.426 24.321 1.00 23.98 ? 109 HIS A NE2 1 ATOM 862 N N . ASP A 1 110 ? -23.814 -2.737 19.661 1.00 21.73 ? 110 ASP A N 1 ATOM 863 C CA . ASP A 1 110 ? -24.632 -3.772 18.985 1.00 21.34 ? 110 ASP A CA 1 ATOM 864 C C . ASP A 1 110 ? -24.490 -5.134 19.691 1.00 23.63 ? 110 ASP A C 1 ATOM 865 O O . ASP A 1 110 ? -25.484 -5.862 19.833 1.00 20.41 ? 110 ASP A O 1 ATOM 866 C CB . ASP A 1 110 ? -24.238 -3.839 17.532 1.00 21.64 ? 110 ASP A CB 1 ATOM 867 C CG . ASP A 1 110 ? -25.332 -4.468 16.666 1.00 23.93 ? 110 ASP A CG 1 ATOM 868 O OD1 . ASP A 1 110 ? -25.831 -5.556 16.993 1.00 24.05 ? 110 ASP A OD1 1 ATOM 869 O OD2 . ASP A 1 110 ? -25.623 -3.912 15.645 1.00 25.74 ? 110 ASP A OD2 1 ATOM 870 N N . LEU A 1 111 ? -23.295 -5.412 20.286 1.00 21.23 ? 111 LEU A N 1 ATOM 871 C CA . LEU A 1 111 ? -22.971 -6.757 20.705 1.00 20.36 ? 111 LEU A CA 1 ATOM 872 C C . LEU A 1 111 ? -23.151 -7.086 22.117 1.00 19.59 ? 111 LEU A C 1 ATOM 873 O O . LEU A 1 111 ? -23.491 -8.195 22.395 1.00 18.03 ? 111 LEU A O 1 ATOM 874 C CB . LEU A 1 111 ? -21.536 -7.172 20.285 1.00 19.19 ? 111 LEU A CB 1 ATOM 875 C CG . LEU A 1 111 ? -21.247 -6.987 18.803 1.00 20.39 ? 111 LEU A CG 1 ATOM 876 C CD1 . LEU A 1 111 ? -19.779 -7.250 18.504 1.00 19.86 ? 111 LEU A CD1 1 ATOM 877 C CD2 . LEU A 1 111 ? -22.072 -7.872 17.918 1.00 20.85 ? 111 LEU A CD2 1 ATOM 878 N N . ASP A 1 112 ? -22.842 -6.186 23.043 1.00 22.54 ? 112 ASP A N 1 ATOM 879 C CA . ASP A 1 112 ? -22.853 -6.559 24.443 1.00 21.61 ? 112 ASP A CA 1 ATOM 880 C C . ASP A 1 112 ? -23.187 -5.417 25.352 1.00 23.20 ? 112 ASP A C 1 ATOM 881 O O . ASP A 1 112 ? -22.786 -4.284 25.124 1.00 22.53 ? 112 ASP A O 1 ATOM 882 C CB . ASP A 1 112 ? -21.542 -7.235 24.909 1.00 21.21 ? 112 ASP A CB 1 ATOM 883 C CG . ASP A 1 112 ? -20.259 -6.490 24.473 1.00 22.13 ? 112 ASP A CG 1 ATOM 884 O OD1 . ASP A 1 112 ? -19.852 -6.704 23.338 1.00 23.11 ? 112 ASP A OD1 1 ATOM 885 O OD2 . ASP A 1 112 ? -19.656 -5.712 25.273 1.00 25.21 ? 112 ASP A OD2 1 ATOM 886 N N . PHE A 1 113 ? -23.870 -5.751 26.418 1.00 19.38 ? 113 PHE A N 1 ATOM 887 C CA . PHE A 1 113 ? -24.148 -4.809 27.484 1.00 23.77 ? 113 PHE A CA 1 ATOM 888 C C . PHE A 1 113 ? -24.445 -5.611 28.725 1.00 23.37 ? 113 PHE A C 1 ATOM 889 O O . PHE A 1 113 ? -25.373 -6.400 28.714 1.00 21.99 ? 113 PHE A O 1 ATOM 890 C CB . PHE A 1 113 ? -25.362 -4.005 27.090 1.00 26.45 ? 113 PHE A CB 1 ATOM 891 C CG . PHE A 1 113 ? -25.780 -2.950 28.070 1.00 30.81 ? 113 PHE A CG 1 ATOM 892 C CD1 . PHE A 1 113 ? -24.874 -2.252 28.825 1.00 35.43 ? 113 PHE A CD1 1 ATOM 893 C CD2 . PHE A 1 113 ? -27.153 -2.640 28.192 1.00 38.78 ? 113 PHE A CD2 1 ATOM 894 C CE1 . PHE A 1 113 ? -25.295 -1.270 29.715 1.00 42.91 ? 113 PHE A CE1 1 ATOM 895 C CE2 . PHE A 1 113 ? -27.582 -1.654 29.075 1.00 43.95 ? 113 PHE A CE2 1 ATOM 896 C CZ . PHE A 1 113 ? -26.642 -0.958 29.829 1.00 40.88 ? 113 PHE A CZ 1 ATOM 897 N N . ALA A 1 114 ? -23.623 -5.457 29.741 1.00 21.24 ? 114 ALA A N 1 ATOM 898 C CA . ALA A 1 114 ? -23.760 -6.121 30.995 1.00 24.00 ? 114 ALA A CA 1 ATOM 899 C C . ALA A 1 114 ? -24.167 -5.047 31.979 1.00 31.19 ? 114 ALA A C 1 ATOM 900 O O . ALA A 1 114 ? -23.353 -4.573 32.766 1.00 29.86 ? 114 ALA A O 1 ATOM 901 C CB . ALA A 1 114 ? -22.485 -6.787 31.440 1.00 28.32 ? 114 ALA A CB 1 ATOM 902 N N . PRO A 1 115 ? -25.448 -4.683 31.967 1.00 30.54 ? 115 PRO A N 1 ATOM 903 C CA . PRO A 1 115 ? -25.864 -3.632 32.920 1.00 37.37 ? 115 PRO A CA 1 ATOM 904 C C . PRO A 1 115 ? -25.697 -3.965 34.442 1.00 35.15 ? 115 PRO A C 1 ATOM 905 O O . PRO A 1 115 ? -25.751 -5.135 34.834 1.00 33.71 ? 115 PRO A O 1 ATOM 906 C CB . PRO A 1 115 ? -27.331 -3.400 32.544 1.00 37.52 ? 115 PRO A CB 1 ATOM 907 C CG . PRO A 1 115 ? -27.795 -4.688 32.013 1.00 36.23 ? 115 PRO A CG 1 ATOM 908 C CD . PRO A 1 115 ? -26.602 -5.341 31.346 1.00 35.93 ? 115 PRO A CD 1 ATOM 909 N N . GLU A 1 116 ? -25.437 -2.938 35.258 1.00 41.21 ? 116 GLU A N 1 ATOM 910 C CA . GLU A 1 116 ? -25.414 -3.058 36.743 1.00 48.97 ? 116 GLU A CA 1 ATOM 911 C C . GLU A 1 116 ? -26.652 -3.738 37.280 1.00 47.84 ? 116 GLU A C 1 ATOM 912 O O . GLU A 1 116 ? -27.716 -3.600 36.706 1.00 50.21 ? 116 GLU A O 1 ATOM 913 C CB . GLU A 1 116 ? -25.411 -1.706 37.430 1.00 50.62 ? 116 GLU A CB 1 ATOM 914 C CG . GLU A 1 116 ? -24.139 -0.891 37.355 1.00 51.22 ? 116 GLU A CG 1 ATOM 915 C CD . GLU A 1 116 ? -24.374 0.511 37.913 1.00 53.81 ? 116 GLU A CD 1 ATOM 916 O OE1 . GLU A 1 116 ? -25.459 0.788 38.489 1.00 50.89 ? 116 GLU A OE1 1 ATOM 917 O OE2 . GLU A 1 116 ? -23.473 1.342 37.789 1.00 62.63 ? 116 GLU A OE2 1 ATOM 918 N N . THR A 1 117 ? -26.494 -4.443 38.395 1.00 55.37 ? 117 THR A N 1 ATOM 919 C CA . THR A 1 117 ? -27.609 -5.026 39.133 1.00 57.99 ? 117 THR A CA 1 ATOM 920 C C . THR A 1 117 ? -28.566 -3.910 39.533 1.00 64.06 ? 117 THR A C 1 ATOM 921 O O . THR A 1 117 ? -28.140 -2.851 39.994 1.00 63.88 ? 117 THR A O 1 ATOM 922 C CB . THR A 1 117 ? -27.129 -5.717 40.431 1.00 59.19 ? 117 THR A CB 1 ATOM 923 O OG1 . THR A 1 117 ? -26.168 -4.881 41.111 1.00 57.74 ? 117 THR A OG1 1 ATOM 924 C CG2 . THR A 1 117 ? -26.521 -7.083 40.132 1.00 55.22 ? 117 THR A CG2 1 ATOM 925 N N . GLU A 1 118 ? -29.856 -4.158 39.372 1.00 72.76 ? 118 GLU A N 1 ATOM 926 C CA . GLU A 1 118 ? -30.843 -3.091 39.455 1.00 91.32 ? 118 GLU A CA 1 ATOM 927 C C . GLU A 1 118 ? -31.339 -2.748 40.876 1.00 105.80 ? 118 GLU A C 1 ATOM 928 O O . GLU A 1 118 ? -32.377 -2.088 40.999 1.00 118.55 ? 118 GLU A O 1 ATOM 929 C CB . GLU A 1 118 ? -32.042 -3.454 38.576 1.00 95.45 ? 118 GLU A CB 1 ATOM 930 C CG . GLU A 1 118 ? -31.745 -3.445 37.084 1.00 97.28 ? 118 GLU A CG 1 ATOM 931 C CD . GLU A 1 118 ? -32.767 -4.247 36.299 1.00 96.78 ? 118 GLU A CD 1 ATOM 932 O OE1 . GLU A 1 118 ? -32.364 -5.071 35.454 1.00 89.42 ? 118 GLU A OE1 1 ATOM 933 O OE2 . GLU A 1 118 ? -33.976 -4.073 36.551 1.00 106.37 ? 118 GLU A OE2 1 ATOM 934 N N . LEU A 1 119 ? -30.620 -3.142 41.938 1.00 108.78 ? 119 LEU A N 1 ATOM 935 C CA . LEU A 1 119 ? -31.146 -3.017 43.324 1.00 118.16 ? 119 LEU A CA 1 ATOM 936 C C . LEU A 1 119 ? -31.176 -1.636 44.011 1.00 129.47 ? 119 LEU A C 1 ATOM 937 O O . LEU A 1 119 ? -31.836 -1.478 45.052 1.00 128.17 ? 119 LEU A O 1 ATOM 938 C CB . LEU A 1 119 ? -30.399 -3.975 44.252 1.00 113.25 ? 119 LEU A CB 1 ATOM 939 C CG . LEU A 1 119 ? -30.472 -5.465 43.926 1.00 111.04 ? 119 LEU A CG 1 ATOM 940 C CD1 . LEU A 1 119 ? -30.274 -6.239 45.221 1.00 109.74 ? 119 LEU A CD1 1 ATOM 941 C CD2 . LEU A 1 119 ? -31.774 -5.887 43.254 1.00 107.76 ? 119 LEU A CD2 1 ATOM 942 N N . GLY A 1 120 ? -30.462 -0.654 43.458 1.00 142.89 ? 120 GLY A N 1 ATOM 943 C CA . GLY A 1 120 ? -30.368 0.679 44.064 1.00 144.21 ? 120 GLY A CA 1 ATOM 944 C C . GLY A 1 120 ? -31.577 1.606 44.088 1.00 141.26 ? 120 GLY A C 1 ATOM 945 O O . GLY A 1 120 ? -31.630 2.502 44.933 1.00 125.85 ? 120 GLY A O 1 ATOM 946 N N . SER A 1 121 ? -32.512 1.426 43.145 1.00 145.22 ? 121 SER A N 1 ATOM 947 C CA . SER A 1 121 ? -33.818 2.120 43.169 1.00 140.69 ? 121 SER A CA 1 ATOM 948 C C . SER A 1 121 ? -34.682 1.532 44.282 1.00 151.86 ? 121 SER A C 1 ATOM 949 O O . SER A 1 121 ? -34.443 0.410 44.754 1.00 162.44 ? 121 SER A O 1 ATOM 950 C CB . SER A 1 121 ? -34.591 2.006 41.839 1.00 127.50 ? 121 SER A CB 1 ATOM 951 O OG . SER A 1 121 ? -33.744 2.003 40.706 1.00 121.82 ? 121 SER A OG 1 ATOM 952 N N . ASN A 1 122 ? -35.692 2.300 44.689 1.00 154.42 ? 122 ASN A N 1 ATOM 953 C CA . ASN A 1 122 ? -36.585 1.942 45.805 1.00 149.07 ? 122 ASN A CA 1 ATOM 954 C C . ASN A 1 122 ? -35.821 1.797 47.150 1.00 142.89 ? 122 ASN A C 1 ATOM 955 O O . ASN A 1 122 ? -36.328 1.187 48.101 1.00 130.78 ? 122 ASN A O 1 ATOM 956 C CB . ASN A 1 122 ? -37.371 0.656 45.448 1.00 145.30 ? 122 ASN A CB 1 ATOM 957 C CG . ASN A 1 122 ? -38.813 0.681 45.940 1.00 140.37 ? 122 ASN A CG 1 ATOM 958 O OD1 . ASN A 1 122 ? -39.544 1.641 45.706 1.00 142.31 ? 122 ASN A OD1 1 ATOM 959 N ND2 . ASN A 1 122 ? -39.238 -0.393 46.592 1.00 135.89 ? 122 ASN A ND2 1 ATOM 960 N N . GLU A 1 123 ? -34.624 2.400 47.221 1.00 139.67 ? 123 GLU A N 1 ATOM 961 C CA . GLU A 1 123 ? -33.666 2.187 48.313 1.00 131.98 ? 123 GLU A CA 1 ATOM 962 C C . GLU A 1 123 ? -32.465 3.165 48.249 1.00 128.74 ? 123 GLU A C 1 ATOM 963 O O . GLU A 1 123 ? -32.113 3.683 47.186 1.00 121.61 ? 123 GLU A O 1 ATOM 964 C CB . GLU A 1 123 ? -33.167 0.731 48.317 1.00 123.79 ? 123 GLU A CB 1 ATOM 965 C CG . GLU A 1 123 ? -32.444 0.341 49.600 1.00 115.61 ? 123 GLU A CG 1 ATOM 966 C CD . GLU A 1 123 ? -32.775 -1.042 50.124 1.00 110.58 ? 123 GLU A CD 1 ATOM 967 O OE1 . GLU A 1 123 ? -33.964 -1.434 50.118 1.00 102.19 ? 123 GLU A OE1 1 ATOM 968 O OE2 . GLU A 1 123 ? -31.837 -1.725 50.587 1.00 108.89 ? 123 GLU A OE2 1 ATOM 969 N N . HIS A 1 124 ? -31.801 3.405 49.367 1.00 127.97 ? 124 HIS A N 1 ATOM 970 C CA . HIS A 1 124 ? -30.656 4.316 49.341 1.00 122.36 ? 124 HIS A CA 1 ATOM 971 C C . HIS A 1 124 ? -29.347 3.569 49.242 1.00 114.13 ? 124 HIS A C 1 ATOM 972 O O . HIS A 1 124 ? -28.339 4.136 48.938 1.00 105.26 ? 124 HIS A O 1 ATOM 973 C CB . HIS A 1 124 ? -30.642 5.231 50.566 1.00 122.56 ? 124 HIS A CB 1 ATOM 974 C CG . HIS A 1 124 ? -30.616 4.493 51.864 1.00 124.23 ? 124 HIS A CG 1 ATOM 975 N ND1 . HIS A 1 124 ? -29.610 3.621 52.202 1.00 126.92 ? 124 HIS A ND1 1 ATOM 976 C CD2 . HIS A 1 124 ? -31.469 4.503 52.906 1.00 122.42 ? 124 HIS A CD2 1 ATOM 977 C CE1 . HIS A 1 124 ? -29.851 3.113 53.393 1.00 121.33 ? 124 HIS A CE1 1 ATOM 978 N NE2 . HIS A 1 124 ? -30.971 3.640 53.846 1.00 123.48 ? 124 HIS A NE2 1 ATOM 979 N N . SER A 1 125 ? -29.391 2.283 49.506 1.00 118.46 ? 125 SER A N 1 ATOM 980 C CA . SER A 1 125 ? -28.216 1.425 49.467 1.00 118.76 ? 125 SER A CA 1 ATOM 981 C C . SER A 1 125 ? -27.284 1.748 48.318 1.00 112.70 ? 125 SER A C 1 ATOM 982 O O . SER A 1 125 ? -26.090 1.448 48.350 1.00 98.21 ? 125 SER A O 1 ATOM 983 C CB . SER A 1 125 ? -28.676 -0.019 49.313 1.00 116.96 ? 125 SER A CB 1 ATOM 984 O OG . SER A 1 125 ? -29.432 -0.142 48.127 1.00 117.13 ? 125 SER A OG 1 ATOM 985 N N . LYS A 1 126 ? -27.872 2.355 47.299 1.00 107.78 ? 126 LYS A N 1 ATOM 986 C CA . LYS A 1 126 ? -27.160 2.718 46.103 1.00 104.72 ? 126 LYS A CA 1 ATOM 987 C C . LYS A 1 126 ? -26.486 4.010 46.429 1.00 95.81 ? 126 LYS A C 1 ATOM 988 O O . LYS A 1 126 ? -25.324 4.231 46.156 1.00 90.54 ? 126 LYS A O 1 ATOM 989 C CB . LYS A 1 126 ? -28.142 2.810 44.939 1.00 107.57 ? 126 LYS A CB 1 ATOM 990 C CG . LYS A 1 126 ? -28.619 4.196 44.549 1.00 114.57 ? 126 LYS A CG 1 ATOM 991 C CD . LYS A 1 126 ? -29.957 4.575 45.151 1.00 114.94 ? 126 LYS A CD 1 ATOM 992 C CE . LYS A 1 126 ? -30.378 5.980 44.725 1.00 110.00 ? 126 LYS A CE 1 ATOM 993 N NZ . LYS A 1 126 ? -29.807 6.362 43.400 1.00 103.30 ? 126 LYS A NZ 1 ATOM 994 N N . THR A 1 127 ? -27.238 4.867 47.070 1.00 91.21 ? 127 THR A N 1 ATOM 995 C CA . THR A 1 127 ? -26.688 6.172 47.473 1.00 83.83 ? 127 THR A CA 1 ATOM 996 C C . THR A 1 127 ? -25.770 6.045 48.703 1.00 72.17 ? 127 THR A C 1 ATOM 997 O O . THR A 1 127 ? -24.809 6.785 48.817 1.00 76.68 ? 127 THR A O 1 ATOM 998 C CB . THR A 1 127 ? -27.796 7.204 47.750 1.00 89.50 ? 127 THR A CB 1 ATOM 999 O OG1 . THR A 1 127 ? -28.840 7.051 46.782 1.00 94.22 ? 127 THR A OG1 1 ATOM 1000 C CG2 . THR A 1 127 ? -27.241 8.623 47.674 1.00 87.95 ? 127 THR A CG2 1 ATOM 1001 N N . GLN A 1 128 ? -26.071 5.108 49.598 1.00 67.02 ? 128 GLN A N 1 ATOM 1002 C CA . GLN A 1 128 ? -25.175 4.720 50.699 1.00 70.34 ? 128 GLN A CA 1 ATOM 1003 C C . GLN A 1 128 ? -23.801 4.146 50.267 1.00 75.19 ? 128 GLN A C 1 ATOM 1004 O O . GLN A 1 128 ? -22.792 4.387 50.953 1.00 80.95 ? 128 GLN A O 1 ATOM 1005 C CB . GLN A 1 128 ? -25.896 3.736 51.635 1.00 73.49 ? 128 GLN A CB 1 ATOM 1006 C CG . GLN A 1 128 ? -24.993 2.797 52.442 1.00 79.63 ? 128 GLN A CG 1 ATOM 1007 C CD . GLN A 1 128 ? -25.604 2.305 53.741 1.00 82.92 ? 128 GLN A CD 1 ATOM 1008 O OE1 . GLN A 1 128 ? -26.715 2.685 54.109 1.00 80.37 ? 128 GLN A OE1 1 ATOM 1009 N NE2 . GLN A 1 128 ? -24.857 1.459 54.458 1.00 83.94 ? 128 GLN A NE2 1 ATOM 1010 N N . CYS A 1 129 ? -23.755 3.367 49.179 1.00 66.88 ? 129 CYS A N 1 ATOM 1011 C CA . CYS A 1 129 ? -22.465 2.896 48.596 1.00 64.18 ? 129 CYS A CA 1 ATOM 1012 C C . CYS A 1 129 ? -21.543 4.084 48.315 1.00 59.53 ? 129 CYS A C 1 ATOM 1013 O O . CYS A 1 129 ? -20.410 4.150 48.783 1.00 61.10 ? 129 CYS A O 1 ATOM 1014 C CB . CYS A 1 129 ? -22.702 2.121 47.277 1.00 60.10 ? 129 CYS A CB 1 ATOM 1015 S SG . CYS A 1 129 ? -21.266 1.304 46.485 1.00 51.64 ? 129 CYS A SG 1 ATOM 1016 N N . GLU A 1 130 ? -22.080 5.015 47.540 1.00 62.80 ? 130 GLU A N 1 ATOM 1017 C CA . GLU A 1 130 ? -21.431 6.269 47.187 1.00 63.16 ? 130 GLU A CA 1 ATOM 1018 C C . GLU A 1 130 ? -21.058 7.039 48.448 1.00 59.33 ? 130 GLU A C 1 ATOM 1019 O O . GLU A 1 130 ? -19.909 7.452 48.628 1.00 51.63 ? 130 GLU A O 1 ATOM 1020 C CB . GLU A 1 130 ? -22.413 7.088 46.324 1.00 64.78 ? 130 GLU A CB 1 ATOM 1021 C CG . GLU A 1 130 ? -21.947 8.443 45.820 1.00 66.08 ? 130 GLU A CG 1 ATOM 1022 C CD . GLU A 1 130 ? -23.103 9.237 45.244 1.00 72.18 ? 130 GLU A CD 1 ATOM 1023 O OE1 . GLU A 1 130 ? -23.261 10.416 45.629 1.00 77.89 ? 130 GLU A OE1 1 ATOM 1024 O OE2 . GLU A 1 130 ? -23.871 8.676 44.428 1.00 72.92 ? 130 GLU A OE2 1 ATOM 1025 N N . GLU A 1 131 ? -22.043 7.182 49.329 1.00 57.14 ? 131 GLU A N 1 ATOM 1026 C CA . GLU A 1 131 ? -21.930 8.067 50.488 1.00 58.44 ? 131 GLU A CA 1 ATOM 1027 C C . GLU A 1 131 ? -20.923 7.503 51.496 1.00 48.38 ? 131 GLU A C 1 ATOM 1028 O O . GLU A 1 131 ? -20.009 8.202 51.926 1.00 45.35 ? 131 GLU A O 1 ATOM 1029 C CB . GLU A 1 131 ? -23.332 8.291 51.117 1.00 65.77 ? 131 GLU A CB 1 ATOM 1030 C CG . GLU A 1 131 ? -23.576 9.614 51.848 1.00 71.16 ? 131 GLU A CG 1 ATOM 1031 C CD . GLU A 1 131 ? -25.069 9.909 51.993 1.00 77.87 ? 131 GLU A CD 1 ATOM 1032 O OE1 . GLU A 1 131 ? -25.590 9.817 53.132 1.00 76.50 ? 131 GLU A OE1 1 ATOM 1033 O OE2 . GLU A 1 131 ? -25.726 10.204 50.960 1.00 76.87 ? 131 GLU A OE2 1 ATOM 1034 N N . TYR A 1 132 ? -21.054 6.235 51.849 1.00 43.66 ? 132 TYR A N 1 ATOM 1035 C CA . TYR A 1 132 ? -20.173 5.644 52.873 1.00 43.33 ? 132 TYR A CA 1 ATOM 1036 C C . TYR A 1 132 ? -19.051 4.755 52.342 1.00 38.97 ? 132 TYR A C 1 ATOM 1037 O O . TYR A 1 132 ? -18.147 4.353 53.097 1.00 34.37 ? 132 TYR A O 1 ATOM 1038 C CB . TYR A 1 132 ? -21.059 4.933 53.896 1.00 51.95 ? 132 TYR A CB 1 ATOM 1039 C CG . TYR A 1 132 ? -22.029 5.930 54.511 1.00 57.89 ? 132 TYR A CG 1 ATOM 1040 C CD1 . TYR A 1 132 ? -21.606 6.819 55.497 1.00 59.77 ? 132 TYR A CD1 1 ATOM 1041 C CD2 . TYR A 1 132 ? -23.355 6.039 54.048 1.00 61.70 ? 132 TYR A CD2 1 ATOM 1042 C CE1 . TYR A 1 132 ? -22.479 7.757 56.034 1.00 60.96 ? 132 TYR A CE1 1 ATOM 1043 C CE2 . TYR A 1 132 ? -24.229 6.982 54.579 1.00 61.71 ? 132 TYR A CE2 1 ATOM 1044 C CZ . TYR A 1 132 ? -23.784 7.828 55.573 1.00 60.13 ? 132 TYR A CZ 1 ATOM 1045 O OH . TYR A 1 132 ? -24.638 8.754 56.099 1.00 65.36 ? 132 TYR A OH 1 ATOM 1046 N N . CYS A 1 133 ? -19.036 4.455 51.042 1.00 39.96 ? 133 CYS A N 1 ATOM 1047 C CA . CYS A 1 133 ? -17.930 3.613 50.511 1.00 39.18 ? 133 CYS A CA 1 ATOM 1048 C C . CYS A 1 133 ? -17.835 2.243 51.221 1.00 38.03 ? 133 CYS A C 1 ATOM 1049 O O . CYS A 1 133 ? -16.755 1.708 51.456 1.00 40.31 ? 133 CYS A O 1 ATOM 1050 C CB . CYS A 1 133 ? -16.573 4.357 50.562 1.00 40.23 ? 133 CYS A CB 1 ATOM 1051 S SG . CYS A 1 133 ? -16.597 5.825 49.501 1.00 40.15 ? 133 CYS A SG 1 ATOM 1052 N N . ILE A 1 134 ? -18.993 1.662 51.503 1.00 42.21 ? 134 ILE A N 1 ATOM 1053 C CA . ILE A 1 134 ? -19.053 0.440 52.310 1.00 43.34 ? 134 ILE A CA 1 ATOM 1054 C C . ILE A 1 134 ? -19.280 -0.738 51.381 1.00 37.64 ? 134 ILE A C 1 ATOM 1055 O O . ILE A 1 134 ? -20.338 -0.858 50.774 1.00 41.58 ? 134 ILE A O 1 ATOM 1056 C CB . ILE A 1 134 ? -20.117 0.585 53.425 1.00 47.77 ? 134 ILE A CB 1 ATOM 1057 C CG1 . ILE A 1 134 ? -19.418 1.260 54.620 1.00 52.65 ? 134 ILE A CG1 1 ATOM 1058 C CG2 . ILE A 1 134 ? -20.712 -0.763 53.800 1.00 47.77 ? 134 ILE A CG2 1 ATOM 1059 C CD1 . ILE A 1 134 ? -20.317 1.772 55.719 1.00 59.77 ? 134 ILE A CD1 1 ATOM 1060 N N . GLN A 1 135 ? -18.259 -1.566 51.238 1.00 33.04 ? 135 GLN A N 1 ATOM 1061 C CA . GLN A 1 135 ? -18.377 -2.771 50.406 1.00 35.83 ? 135 GLN A CA 1 ATOM 1062 C C . GLN A 1 135 ? -19.428 -3.769 50.925 1.00 32.72 ? 135 GLN A C 1 ATOM 1063 O O . GLN A 1 135 ? -19.398 -4.165 52.072 1.00 32.12 ? 135 GLN A O 1 ATOM 1064 C CB . GLN A 1 135 ? -17.032 -3.446 50.330 1.00 32.61 ? 135 GLN A CB 1 ATOM 1065 C CG . GLN A 1 135 ? -17.056 -4.703 49.581 1.00 32.24 ? 135 GLN A CG 1 ATOM 1066 C CD . GLN A 1 135 ? -15.670 -5.188 49.319 1.00 30.38 ? 135 GLN A CD 1 ATOM 1067 O OE1 . GLN A 1 135 ? -14.969 -4.639 48.461 1.00 26.49 ? 135 GLN A OE1 1 ATOM 1068 N NE2 . GLN A 1 135 ? -15.235 -6.186 50.078 1.00 32.02 ? 135 GLN A NE2 1 ATOM 1069 N N . GLY A 1 136 ? -20.362 -4.153 50.074 1.00 30.26 ? 136 GLY A N 1 ATOM 1070 C CA . GLY A 1 136 ? -21.223 -5.239 50.406 1.00 30.82 ? 136 GLY A CA 1 ATOM 1071 C C . GLY A 1 136 ? -22.259 -5.532 49.364 1.00 33.79 ? 136 GLY A C 1 ATOM 1072 O O . GLY A 1 136 ? -22.750 -4.617 48.666 1.00 34.58 ? 136 GLY A O 1 ATOM 1073 N N . ASP A 1 137 ? -22.606 -6.822 49.262 1.00 34.61 ? 137 ASP A N 1 ATOM 1074 C CA . ASP A 1 137 ? -23.591 -7.262 48.295 1.00 39.51 ? 137 ASP A CA 1 ATOM 1075 C C . ASP A 1 137 ? -23.149 -6.697 46.964 1.00 37.57 ? 137 ASP A C 1 ATOM 1076 O O . ASP A 1 137 ? -22.027 -6.957 46.581 1.00 41.08 ? 137 ASP A O 1 ATOM 1077 C CB . ASP A 1 137 ? -25.000 -6.817 48.714 1.00 42.35 ? 137 ASP A CB 1 ATOM 1078 C CG . ASP A 1 137 ? -25.529 -7.635 49.866 1.00 46.44 ? 137 ASP A CG 1 ATOM 1079 O OD1 . ASP A 1 137 ? -24.915 -8.667 50.187 1.00 46.38 ? 137 ASP A OD1 1 ATOM 1080 O OD2 . ASP A 1 137 ? -26.567 -7.261 50.435 1.00 54.98 ? 137 ASP A OD2 1 ATOM 1081 N N . ASN A 1 138 ? -23.942 -5.853 46.333 1.00 35.73 ? 138 ASN A N 1 ATOM 1082 C CA . ASN A 1 138 ? -23.630 -5.426 45.007 1.00 38.69 ? 138 ASN A CA 1 ATOM 1083 C C . ASN A 1 138 ? -22.859 -4.130 44.933 1.00 36.26 ? 138 ASN A C 1 ATOM 1084 O O . ASN A 1 138 ? -22.544 -3.699 43.847 1.00 35.55 ? 138 ASN A O 1 ATOM 1085 C CB . ASN A 1 138 ? -24.887 -5.391 44.148 1.00 43.62 ? 138 ASN A CB 1 ATOM 1086 C CG . ASN A 1 138 ? -25.327 -6.789 43.697 1.00 50.93 ? 138 ASN A CG 1 ATOM 1087 O OD1 . ASN A 1 138 ? -24.501 -7.736 43.476 1.00 50.78 ? 138 ASN A OD1 1 ATOM 1088 N ND2 . ASN A 1 138 ? -26.648 -6.938 43.543 1.00 55.25 ? 138 ASN A ND2 1 ATOM 1089 N N . CYS A 1 139 ? -22.560 -3.536 46.082 1.00 34.80 ? 139 CYS A N 1 ATOM 1090 C CA . CYS A 1 139 ? -21.730 -2.345 46.176 1.00 38.35 ? 139 CYS A CA 1 ATOM 1091 C C . CYS A 1 139 ? -20.304 -2.839 46.301 1.00 33.24 ? 139 CYS A C 1 ATOM 1092 O O . CYS A 1 139 ? -19.960 -3.550 47.253 1.00 33.36 ? 139 CYS A O 1 ATOM 1093 C CB . CYS A 1 139 ? -22.156 -1.481 47.381 1.00 40.85 ? 139 CYS A CB 1 ATOM 1094 S SG . CYS A 1 139 ? -20.944 -0.205 47.802 1.00 45.12 ? 139 CYS A SG 1 ATOM 1095 N N . PHE A 1 140 ? -19.463 -2.501 45.310 1.00 28.87 ? 140 PHE A N 1 ATOM 1096 C CA . PHE A 1 140 ? -18.062 -2.949 45.266 1.00 24.46 ? 140 PHE A CA 1 ATOM 1097 C C . PHE A 1 140 ? -17.205 -1.725 44.906 1.00 30.25 ? 140 PHE A C 1 ATOM 1098 O O . PHE A 1 140 ? -16.555 -1.678 43.857 1.00 24.91 ? 140 PHE A O 1 ATOM 1099 C CB . PHE A 1 140 ? -17.899 -4.123 44.262 1.00 24.41 ? 140 PHE A CB 1 ATOM 1100 C CG . PHE A 1 140 ? -16.457 -4.641 44.048 1.00 25.25 ? 140 PHE A CG 1 ATOM 1101 C CD1 . PHE A 1 140 ? -15.561 -4.787 45.107 1.00 27.49 ? 140 PHE A CD1 1 ATOM 1102 C CD2 . PHE A 1 140 ? -16.064 -5.106 42.782 1.00 26.49 ? 140 PHE A CD2 1 ATOM 1103 C CE1 . PHE A 1 140 ? -14.315 -5.324 44.923 1.00 29.46 ? 140 PHE A CE1 1 ATOM 1104 C CE2 . PHE A 1 140 ? -14.768 -5.647 42.577 1.00 26.03 ? 140 PHE A CE2 1 ATOM 1105 C CZ . PHE A 1 140 ? -13.900 -5.758 43.643 1.00 27.56 ? 140 PHE A CZ 1 ATOM 1106 N N . PRO A 1 141 ? -17.141 -0.758 45.831 1.00 32.14 ? 141 PRO A N 1 ATOM 1107 C CA . PRO A 1 141 ? -16.501 0.528 45.539 1.00 28.87 ? 141 PRO A CA 1 ATOM 1108 C C . PRO A 1 141 ? -14.996 0.459 45.220 1.00 22.91 ? 141 PRO A C 1 ATOM 1109 O O . PRO A 1 141 ? -14.238 -0.436 45.661 1.00 22.83 ? 141 PRO A O 1 ATOM 1110 C CB . PRO A 1 141 ? -16.763 1.348 46.805 1.00 30.99 ? 141 PRO A CB 1 ATOM 1111 C CG . PRO A 1 141 ? -17.006 0.347 47.876 1.00 31.62 ? 141 PRO A CG 1 ATOM 1112 C CD . PRO A 1 141 ? -17.268 -1.006 47.274 1.00 31.00 ? 141 PRO A CD 1 ATOM 1113 N N . ILE A 1 142 ? -14.593 1.407 44.382 1.00 24.59 ? 142 ILE A N 1 ATOM 1114 C CA . ILE A 1 142 ? -13.213 1.558 43.889 1.00 24.09 ? 142 ILE A CA 1 ATOM 1115 C C . ILE A 1 142 ? -12.646 2.533 44.893 1.00 27.47 ? 142 ILE A C 1 ATOM 1116 O O . ILE A 1 142 ? -13.054 3.716 44.927 1.00 26.87 ? 142 ILE A O 1 ATOM 1117 C CB . ILE A 1 142 ? -13.244 2.142 42.455 1.00 27.38 ? 142 ILE A CB 1 ATOM 1118 C CG1 . ILE A 1 142 ? -13.829 1.118 41.501 1.00 26.98 ? 142 ILE A CG1 1 ATOM 1119 C CG2 . ILE A 1 142 ? -11.894 2.540 41.964 1.00 26.77 ? 142 ILE A CG2 1 ATOM 1120 C CD1 . ILE A 1 142 ? -14.221 1.625 40.109 1.00 31.02 ? 142 ILE A CD1 1 ATOM 1121 N N . MET A 1 143 ? -11.805 2.009 45.770 1.00 26.07 ? 143 MET A N 1 ATOM 1122 C CA . MET A 1 143 ? -11.263 2.788 46.849 1.00 31.29 ? 143 MET A CA 1 ATOM 1123 C C . MET A 1 143 ? -10.038 3.517 46.314 1.00 33.40 ? 143 MET A C 1 ATOM 1124 O O . MET A 1 143 ? -9.259 2.881 45.592 1.00 25.76 ? 143 MET A O 1 ATOM 1125 C CB . MET A 1 143 ? -10.767 1.894 47.968 1.00 33.01 ? 143 MET A CB 1 ATOM 1126 C CG . MET A 1 143 ? -11.848 1.040 48.659 1.00 32.32 ? 143 MET A CG 1 ATOM 1127 S SD . MET A 1 143 ? -13.300 1.928 49.226 1.00 35.59 ? 143 MET A SD 1 ATOM 1128 C CE . MET A 1 143 ? -12.508 2.814 50.596 1.00 39.96 ? 143 MET A CE 1 ATOM 1129 N N . PHE A 1 144 ? -9.819 4.773 46.748 1.00 32.12 ? 144 PHE A N 1 ATOM 1130 C CA . PHE A 1 144 ? -8.597 5.512 46.347 1.00 30.48 ? 144 PHE A CA 1 ATOM 1131 C C . PHE A 1 144 ? -7.329 5.139 47.056 1.00 32.02 ? 144 PHE A C 1 ATOM 1132 O O . PHE A 1 144 ? -7.332 4.993 48.249 1.00 34.87 ? 144 PHE A O 1 ATOM 1133 C CB . PHE A 1 144 ? -8.800 7.016 46.547 1.00 32.73 ? 144 PHE A CB 1 ATOM 1134 C CG . PHE A 1 144 ? -9.932 7.583 45.775 1.00 28.86 ? 144 PHE A CG 1 ATOM 1135 C CD1 . PHE A 1 144 ? -10.077 7.328 44.431 1.00 33.81 ? 144 PHE A CD1 1 ATOM 1136 C CD2 . PHE A 1 144 ? -10.878 8.353 46.392 1.00 28.63 ? 144 PHE A CD2 1 ATOM 1137 C CE1 . PHE A 1 144 ? -11.148 7.825 43.718 1.00 32.88 ? 144 PHE A CE1 1 ATOM 1138 C CE2 . PHE A 1 144 ? -11.953 8.871 45.684 1.00 33.51 ? 144 PHE A CE2 1 ATOM 1139 C CZ . PHE A 1 144 ? -12.102 8.592 44.344 1.00 32.55 ? 144 PHE A CZ 1 ATOM 1140 N N . PRO A 1 145 ? -6.179 5.062 46.337 1.00 31.14 ? 145 PRO A N 1 ATOM 1141 C CA . PRO A 1 145 ? -4.945 4.766 47.028 1.00 31.22 ? 145 PRO A CA 1 ATOM 1142 C C . PRO A 1 145 ? -4.529 6.033 47.783 1.00 33.06 ? 145 PRO A C 1 ATOM 1143 O O . PRO A 1 145 ? -4.988 7.106 47.432 1.00 31.04 ? 145 PRO A O 1 ATOM 1144 C CB . PRO A 1 145 ? -3.972 4.424 45.901 1.00 30.03 ? 145 PRO A CB 1 ATOM 1145 C CG . PRO A 1 145 ? -4.490 5.162 44.730 1.00 28.75 ? 145 PRO A CG 1 ATOM 1146 C CD . PRO A 1 145 ? -5.972 5.233 44.899 1.00 30.48 ? 145 PRO A CD 1 ATOM 1147 N N . LYS A 1 146 ? -3.757 5.929 48.862 1.00 42.13 ? 146 LYS A N 1 ATOM 1148 C CA . LYS A 1 146 ? -3.299 7.181 49.548 1.00 46.82 ? 146 LYS A CA 1 ATOM 1149 C C . LYS A 1 146 ? -2.408 7.860 48.507 1.00 48.54 ? 146 LYS A C 1 ATOM 1150 O O . LYS A 1 146 ? -1.887 7.198 47.611 1.00 57.58 ? 146 LYS A O 1 ATOM 1151 C CB . LYS A 1 146 ? -2.548 6.940 50.857 1.00 49.83 ? 146 LYS A CB 1 ATOM 1152 C CG . LYS A 1 146 ? -1.281 6.086 50.711 1.00 59.92 ? 146 LYS A CG 1 ATOM 1153 C CD . LYS A 1 146 ? -0.111 6.571 51.570 1.00 68.00 ? 146 LYS A CD 1 ATOM 1154 C CE . LYS A 1 146 ? 1.153 5.758 51.267 1.00 73.11 ? 146 LYS A CE 1 ATOM 1155 N NZ . LYS A 1 146 ? 2.201 5.853 52.326 1.00 77.33 ? 146 LYS A NZ 1 ATOM 1156 N N . ASN A 1 147 ? -2.261 9.160 48.591 1.00 48.32 ? 147 ASN A N 1 ATOM 1157 C CA . ASN A 1 147 ? -1.634 9.935 47.511 1.00 45.35 ? 147 ASN A CA 1 ATOM 1158 C C . ASN A 1 147 ? -2.575 10.273 46.355 1.00 40.56 ? 147 ASN A C 1 ATOM 1159 O O . ASN A 1 147 ? -2.180 11.089 45.534 1.00 38.87 ? 147 ASN A O 1 ATOM 1160 C CB . ASN A 1 147 ? -0.360 9.306 46.887 1.00 50.52 ? 147 ASN A CB 1 ATOM 1161 C CG . ASN A 1 147 ? 0.713 8.938 47.912 1.00 56.11 ? 147 ASN A CG 1 ATOM 1162 O OD1 . ASN A 1 147 ? 0.769 9.493 49.017 1.00 61.66 ? 147 ASN A OD1 1 ATOM 1163 N ND2 . ASN A 1 147 ? 1.584 8.009 47.535 1.00 52.85 ? 147 ASN A ND2 1 ATOM 1164 N N . ASP A 1 148 ? -3.791 9.708 46.258 1.00 34.86 ? 148 ASP A N 1 ATOM 1165 C CA . ASP A 1 148 ? -4.648 10.085 45.143 1.00 31.07 ? 148 ASP A CA 1 ATOM 1166 C C . ASP A 1 148 ? -5.181 11.453 45.393 1.00 34.09 ? 148 ASP A C 1 ATOM 1167 O O . ASP A 1 148 ? -5.786 11.684 46.447 1.00 28.84 ? 148 ASP A O 1 ATOM 1168 C CB . ASP A 1 148 ? -5.832 9.130 45.004 1.00 31.53 ? 148 ASP A CB 1 ATOM 1169 C CG . ASP A 1 148 ? -6.465 9.178 43.640 1.00 27.87 ? 148 ASP A CG 1 ATOM 1170 O OD1 . ASP A 1 148 ? -6.903 10.251 43.131 1.00 27.71 ? 148 ASP A OD1 1 ATOM 1171 O OD2 . ASP A 1 148 ? -6.551 8.100 43.039 1.00 31.57 ? 148 ASP A OD2 1 ATOM 1172 N N . PRO A 1 149 ? -5.005 12.383 44.433 1.00 31.14 ? 149 PRO A N 1 ATOM 1173 C CA . PRO A 1 149 ? -5.628 13.713 44.560 1.00 30.90 ? 149 PRO A CA 1 ATOM 1174 C C . PRO A 1 149 ? -7.111 13.638 44.762 1.00 29.52 ? 149 PRO A C 1 ATOM 1175 O O . PRO A 1 149 ? -7.723 14.519 45.422 1.00 29.02 ? 149 PRO A O 1 ATOM 1176 C CB . PRO A 1 149 ? -5.369 14.355 43.209 1.00 35.84 ? 149 PRO A CB 1 ATOM 1177 C CG . PRO A 1 149 ? -4.142 13.708 42.700 1.00 34.87 ? 149 PRO A CG 1 ATOM 1178 C CD . PRO A 1 149 ? -4.146 12.291 43.238 1.00 36.88 ? 149 PRO A CD 1 ATOM 1179 N N . LYS A 1 150 ? -7.756 12.607 44.210 1.00 28.90 ? 150 LYS A N 1 ATOM 1180 C CA . LYS A 1 150 ? -9.209 12.557 44.374 1.00 27.93 ? 150 LYS A CA 1 ATOM 1181 C C . LYS A 1 150 ? -9.675 12.367 45.811 1.00 27.17 ? 150 LYS A C 1 ATOM 1182 O O . LYS A 1 150 ? -10.816 12.670 46.122 1.00 25.90 ? 150 LYS A O 1 ATOM 1183 C CB . LYS A 1 150 ? -9.869 11.498 43.479 1.00 26.65 ? 150 LYS A CB 1 ATOM 1184 C CG . LYS A 1 150 ? -9.948 11.928 42.047 1.00 25.32 ? 150 LYS A CG 1 ATOM 1185 C CD . LYS A 1 150 ? -10.736 10.910 41.278 1.00 27.54 ? 150 LYS A CD 1 ATOM 1186 C CE . LYS A 1 150 ? -10.693 11.279 39.806 1.00 28.40 ? 150 LYS A CE 1 ATOM 1187 N NZ . LYS A 1 150 ? -11.395 12.528 39.516 1.00 26.51 ? 150 LYS A NZ 1 ATOM 1188 N N . LEU A 1 151 ? -8.792 11.812 46.625 1.00 27.11 ? 151 LEU A N 1 ATOM 1189 C CA . LEU A 1 151 ? -9.002 11.611 48.027 1.00 31.69 ? 151 LEU A CA 1 ATOM 1190 C C . LEU A 1 151 ? -9.234 12.940 48.727 1.00 32.29 ? 151 LEU A C 1 ATOM 1191 O O . LEU A 1 151 ? -10.038 13.017 49.635 1.00 28.42 ? 151 LEU A O 1 ATOM 1192 C CB . LEU A 1 151 ? -7.768 10.945 48.619 1.00 34.17 ? 151 LEU A CB 1 ATOM 1193 C CG . LEU A 1 151 ? -7.850 10.175 49.929 1.00 41.15 ? 151 LEU A CG 1 ATOM 1194 C CD1 . LEU A 1 151 ? -9.142 9.381 50.109 1.00 40.98 ? 151 LEU A CD1 1 ATOM 1195 C CD2 . LEU A 1 151 ? -6.614 9.277 50.032 1.00 37.05 ? 151 LEU A CD2 1 ATOM 1196 N N . LYS A 1 152 ? -8.530 13.969 48.249 1.00 28.70 ? 152 LYS A N 1 ATOM 1197 C CA . LYS A 1 152 ? -8.558 15.298 48.784 1.00 30.25 ? 152 LYS A CA 1 ATOM 1198 C C . LYS A 1 152 ? -9.788 16.044 48.387 1.00 28.52 ? 152 LYS A C 1 ATOM 1199 O O . LYS A 1 152 ? -10.218 16.872 49.149 1.00 30.40 ? 152 LYS A O 1 ATOM 1200 C CB . LYS A 1 152 ? -7.318 16.105 48.354 1.00 30.83 ? 152 LYS A CB 1 ATOM 1201 C CG . LYS A 1 152 ? -6.044 15.543 48.903 1.00 35.10 ? 152 LYS A CG 1 ATOM 1202 C CD . LYS A 1 152 ? -4.844 16.043 48.154 1.00 38.36 ? 152 LYS A CD 1 ATOM 1203 C CE . LYS A 1 152 ? -3.598 15.643 48.932 1.00 42.63 ? 152 LYS A CE 1 ATOM 1204 N NZ . LYS A 1 152 ? -2.357 16.236 48.365 1.00 48.32 ? 152 LYS A NZ 1 ATOM 1205 N N . THR A 1 153 ? -10.362 15.787 47.207 1.00 27.22 ? 153 THR A N 1 ATOM 1206 C CA . THR A 1 153 ? -11.530 16.528 46.730 1.00 25.73 ? 153 THR A CA 1 ATOM 1207 C C . THR A 1 153 ? -12.872 15.817 46.590 1.00 29.68 ? 153 THR A C 1 ATOM 1208 O O . THR A 1 153 ? -13.899 16.493 46.352 1.00 32.91 ? 153 THR A O 1 ATOM 1209 C CB . THR A 1 153 ? -11.211 17.105 45.381 1.00 23.89 ? 153 THR A CB 1 ATOM 1210 O OG1 . THR A 1 153 ? -10.982 16.039 44.426 1.00 25.97 ? 153 THR A OG1 1 ATOM 1211 C CG2 . THR A 1 153 ? -9.980 17.962 45.498 1.00 25.08 ? 153 THR A CG2 1 ATOM 1212 N N . GLN A 1 154 ? -12.834 14.496 46.740 1.00 33.12 ? 154 GLN A N 1 ATOM 1213 C CA . GLN A 1 154 ? -13.884 13.599 46.263 1.00 35.91 ? 154 GLN A CA 1 ATOM 1214 C C . GLN A 1 154 ? -14.304 12.520 47.219 1.00 33.96 ? 154 GLN A C 1 ATOM 1215 O O . GLN A 1 154 ? -15.194 11.769 46.887 1.00 46.83 ? 154 GLN A O 1 ATOM 1216 C CB . GLN A 1 154 ? -13.446 12.920 44.920 1.00 34.35 ? 154 GLN A CB 1 ATOM 1217 C CG . GLN A 1 154 ? -14.354 13.212 43.781 1.00 35.61 ? 154 GLN A CG 1 ATOM 1218 C CD . GLN A 1 154 ? -13.920 12.581 42.470 1.00 33.42 ? 154 GLN A CD 1 ATOM 1219 O OE1 . GLN A 1 154 ? -13.213 13.209 41.674 1.00 28.76 ? 154 GLN A OE1 1 ATOM 1220 N NE2 . GLN A 1 154 ? -14.367 11.364 42.230 1.00 29.32 ? 154 GLN A NE2 1 ATOM 1221 N N . GLY A 1 155 ? -13.639 12.352 48.350 1.00 39.32 ? 155 GLY A N 1 ATOM 1222 C CA . GLY A 1 155 ? -14.054 11.341 49.318 1.00 40.90 ? 155 GLY A CA 1 ATOM 1223 C C . GLY A 1 155 ? -13.183 10.123 49.162 1.00 43.50 ? 155 GLY A C 1 ATOM 1224 O O . GLY A 1 155 ? -12.084 10.226 48.631 1.00 38.88 ? 155 GLY A O 1 ATOM 1225 N N . LYS A 1 156 ? -13.650 8.964 49.639 1.00 38.17 ? 156 LYS A N 1 ATOM 1226 C CA . LYS A 1 156 ? -12.746 7.819 49.837 1.00 39.95 ? 156 LYS A CA 1 ATOM 1227 C C . LYS A 1 156 ? -12.732 6.859 48.622 1.00 27.68 ? 156 LYS A C 1 ATOM 1228 O O . LYS A 1 156 ? -11.804 6.079 48.455 1.00 28.77 ? 156 LYS A O 1 ATOM 1229 C CB . LYS A 1 156 ? -13.159 7.018 51.098 1.00 44.05 ? 156 LYS A CB 1 ATOM 1230 C CG . LYS A 1 156 ? -13.126 7.795 52.399 1.00 51.59 ? 156 LYS A CG 1 ATOM 1231 C CD . LYS A 1 156 ? -11.798 7.644 53.127 1.00 55.97 ? 156 LYS A CD 1 ATOM 1232 C CE . LYS A 1 156 ? -11.875 8.280 54.509 1.00 64.49 ? 156 LYS A CE 1 ATOM 1233 N NZ . LYS A 1 156 ? -10.648 8.017 55.323 1.00 68.57 ? 156 LYS A NZ 1 ATOM 1234 N N . CYS A 1 157 ? -13.764 6.939 47.806 1.00 30.37 ? 157 CYS A N 1 ATOM 1235 C CA . CYS A 1 157 ? -13.995 5.929 46.811 1.00 29.85 ? 157 CYS A CA 1 ATOM 1236 C C . CYS A 1 157 ? -14.769 6.492 45.699 1.00 32.54 ? 157 CYS A C 1 ATOM 1237 O O . CYS A 1 157 ? -15.351 7.568 45.806 1.00 36.38 ? 157 CYS A O 1 ATOM 1238 C CB . CYS A 1 157 ? -14.785 4.782 47.424 1.00 29.35 ? 157 CYS A CB 1 ATOM 1239 S SG . CYS A 1 157 ? -16.536 5.047 47.580 1.00 33.26 ? 157 CYS A SG 1 ATOM 1240 N N . MET A 1 158 ? -14.803 5.744 44.613 1.00 26.93 ? 158 MET A N 1 ATOM 1241 C CA . MET A 1 158 ? -15.738 5.960 43.566 1.00 28.75 ? 158 MET A CA 1 ATOM 1242 C C . MET A 1 158 ? -16.761 4.842 43.679 1.00 28.50 ? 158 MET A C 1 ATOM 1243 O O . MET A 1 158 ? -16.396 3.691 43.781 1.00 27.61 ? 158 MET A O 1 ATOM 1244 C CB . MET A 1 158 ? -15.050 5.863 42.207 1.00 31.47 ? 158 MET A CB 1 ATOM 1245 C CG . MET A 1 158 ? -14.470 7.175 41.742 1.00 37.99 ? 158 MET A CG 1 ATOM 1246 S SD . MET A 1 158 ? -13.134 7.013 40.535 1.00 40.87 ? 158 MET A SD 1 ATOM 1247 C CE . MET A 1 158 ? -13.893 5.740 39.530 1.00 33.08 ? 158 MET A CE 1 ATOM 1248 N N . PRO A 1 159 ? -18.046 5.155 43.551 1.00 34.04 ? 159 PRO A N 1 ATOM 1249 C CA . PRO A 1 159 ? -18.983 4.043 43.649 1.00 34.12 ? 159 PRO A CA 1 ATOM 1250 C C . PRO A 1 159 ? -18.939 3.137 42.418 1.00 32.06 ? 159 PRO A C 1 ATOM 1251 O O . PRO A 1 159 ? -18.597 3.579 41.339 1.00 35.26 ? 159 PRO A O 1 ATOM 1252 C CB . PRO A 1 159 ? -20.337 4.734 43.817 1.00 35.67 ? 159 PRO A CB 1 ATOM 1253 C CG . PRO A 1 159 ? -20.165 6.069 43.252 1.00 36.60 ? 159 PRO A CG 1 ATOM 1254 C CD . PRO A 1 159 ? -18.729 6.453 43.486 1.00 36.34 ? 159 PRO A CD 1 ATOM 1255 N N . PHE A 1 160 ? -19.250 1.868 42.629 1.00 29.98 ? 160 PHE A N 1 ATOM 1256 C CA . PHE A 1 160 ? -19.219 0.832 41.587 1.00 25.00 ? 160 PHE A CA 1 ATOM 1257 C C . PHE A 1 160 ? -20.114 -0.289 42.052 1.00 24.81 ? 160 PHE A C 1 ATOM 1258 O O . PHE A 1 160 ? -19.917 -0.785 43.171 1.00 23.19 ? 160 PHE A O 1 ATOM 1259 C CB . PHE A 1 160 ? -17.803 0.305 41.441 1.00 24.59 ? 160 PHE A CB 1 ATOM 1260 C CG . PHE A 1 160 ? -17.653 -0.828 40.446 1.00 23.91 ? 160 PHE A CG 1 ATOM 1261 C CD1 . PHE A 1 160 ? -18.017 -2.117 40.784 1.00 21.86 ? 160 PHE A CD1 1 ATOM 1262 C CD2 . PHE A 1 160 ? -17.055 -0.617 39.194 1.00 21.58 ? 160 PHE A CD2 1 ATOM 1263 C CE1 . PHE A 1 160 ? -17.830 -3.158 39.905 1.00 22.06 ? 160 PHE A CE1 1 ATOM 1264 C CE2 . PHE A 1 160 ? -16.889 -1.671 38.283 1.00 19.02 ? 160 PHE A CE2 1 ATOM 1265 C CZ . PHE A 1 160 ? -17.277 -2.930 38.639 1.00 20.88 ? 160 PHE A CZ 1 ATOM 1266 N N . PHE A 1 161 ? -21.082 -0.632 41.207 1.00 24.98 ? 161 PHE A N 1 ATOM 1267 C CA . PHE A 1 161 ? -22.034 -1.672 41.438 1.00 30.05 ? 161 PHE A CA 1 ATOM 1268 C C . PHE A 1 161 ? -21.817 -2.835 40.515 1.00 28.78 ? 161 PHE A C 1 ATOM 1269 O O . PHE A 1 161 ? -21.717 -2.672 39.276 1.00 27.43 ? 161 PHE A O 1 ATOM 1270 C CB . PHE A 1 161 ? -23.456 -1.094 41.260 1.00 32.65 ? 161 PHE A CB 1 ATOM 1271 C CG . PHE A 1 161 ? -23.668 0.058 42.167 1.00 39.68 ? 161 PHE A CG 1 ATOM 1272 C CD1 . PHE A 1 161 ? -23.865 -0.158 43.534 1.00 44.47 ? 161 PHE A CD1 1 ATOM 1273 C CD2 . PHE A 1 161 ? -23.457 1.370 41.708 1.00 46.01 ? 161 PHE A CD2 1 ATOM 1274 C CE1 . PHE A 1 161 ? -23.970 0.929 44.405 1.00 49.76 ? 161 PHE A CE1 1 ATOM 1275 C CE2 . PHE A 1 161 ? -23.540 2.456 42.574 1.00 46.41 ? 161 PHE A CE2 1 ATOM 1276 C CZ . PHE A 1 161 ? -23.807 2.237 43.917 1.00 50.48 ? 161 PHE A CZ 1 ATOM 1277 N N . ARG A 1 162 ? -21.849 -4.007 41.123 1.00 25.31 ? 162 ARG A N 1 ATOM 1278 C CA . ARG A 1 162 ? -21.603 -5.275 40.415 1.00 25.07 ? 162 ARG A CA 1 ATOM 1279 C C . ARG A 1 162 ? -22.610 -5.506 39.326 1.00 24.79 ? 162 ARG A C 1 ATOM 1280 O O . ARG A 1 162 ? -23.796 -5.113 39.448 1.00 23.28 ? 162 ARG A O 1 ATOM 1281 C CB . ARG A 1 162 ? -21.590 -6.404 41.396 1.00 25.01 ? 162 ARG A CB 1 ATOM 1282 C CG . ARG A 1 162 ? -20.475 -6.302 42.395 1.00 24.59 ? 162 ARG A CG 1 ATOM 1283 C CD . ARG A 1 162 ? -20.251 -7.647 43.002 1.00 28.33 ? 162 ARG A CD 1 ATOM 1284 N NE . ARG A 1 162 ? -19.658 -8.584 42.034 1.00 30.17 ? 162 ARG A NE 1 ATOM 1285 C CZ . ARG A 1 162 ? -19.485 -9.879 42.223 1.00 31.17 ? 162 ARG A CZ 1 ATOM 1286 N NH1 . ARG A 1 162 ? -19.881 -10.439 43.365 1.00 29.50 ? 162 ARG A NH1 1 ATOM 1287 N NH2 . ARG A 1 162 ? -18.936 -10.651 41.244 1.00 26.20 ? 162 ARG A NH2 1 ATOM 1288 N N . ALA A 1 163 ? -22.141 -6.112 38.234 1.00 24.68 ? 163 ALA A N 1 ATOM 1289 C CA . ALA A 1 163 ? -22.991 -6.366 37.038 1.00 25.57 ? 163 ALA A CA 1 ATOM 1290 C C . ALA A 1 163 ? -24.037 -7.424 37.328 1.00 26.22 ? 163 ALA A C 1 ATOM 1291 O O . ALA A 1 163 ? -23.801 -8.324 38.160 1.00 26.67 ? 163 ALA A O 1 ATOM 1292 C CB . ALA A 1 163 ? -22.161 -6.763 35.832 1.00 25.57 ? 163 ALA A CB 1 ATOM 1293 N N . GLY A 1 164 ? -25.180 -7.303 36.640 1.00 30.61 ? 164 GLY A N 1 ATOM 1294 C CA . GLY A 1 164 ? -26.277 -8.293 36.698 1.00 34.01 ? 164 GLY A CA 1 ATOM 1295 C C . GLY A 1 164 ? -25.810 -9.689 36.327 1.00 35.28 ? 164 GLY A C 1 ATOM 1296 O O . GLY A 1 164 ? -24.825 -9.837 35.581 1.00 32.78 ? 164 GLY A O 1 ATOM 1297 N N . PHE A 1 165 ? -26.487 -10.707 36.883 1.00 31.40 ? 165 PHE A N 1 ATOM 1298 C CA . PHE A 1 165 ? -26.129 -12.113 36.671 1.00 30.47 ? 165 PHE A CA 1 ATOM 1299 C C . PHE A 1 165 ? -27.373 -12.950 36.588 1.00 36.31 ? 165 PHE A C 1 ATOM 1300 O O . PHE A 1 165 ? -28.428 -12.565 37.190 1.00 28.94 ? 165 PHE A O 1 ATOM 1301 C CB . PHE A 1 165 ? -25.195 -12.603 37.776 1.00 36.43 ? 165 PHE A CB 1 ATOM 1302 C CG . PHE A 1 165 ? -25.816 -12.562 39.127 1.00 37.96 ? 165 PHE A CG 1 ATOM 1303 C CD1 . PHE A 1 165 ? -25.844 -11.375 39.843 1.00 38.66 ? 165 PHE A CD1 1 ATOM 1304 C CD2 . PHE A 1 165 ? -26.445 -13.684 39.638 1.00 38.98 ? 165 PHE A CD2 1 ATOM 1305 C CE1 . PHE A 1 165 ? -26.469 -11.302 41.069 1.00 40.71 ? 165 PHE A CE1 1 ATOM 1306 C CE2 . PHE A 1 165 ? -27.054 -13.641 40.860 1.00 42.33 ? 165 PHE A CE2 1 ATOM 1307 C CZ . PHE A 1 165 ? -27.073 -12.449 41.581 1.00 45.94 ? 165 PHE A CZ 1 ATOM 1308 N N . VAL A 1 166 ? -27.284 -14.022 35.793 1.00 36.68 ? 166 VAL A N 1 ATOM 1309 C CA . VAL A 1 166 ? -28.451 -14.894 35.448 1.00 45.10 ? 166 VAL A CA 1 ATOM 1310 C C . VAL A 1 166 ? -28.892 -15.719 36.656 1.00 50.65 ? 166 VAL A C 1 ATOM 1311 O O . VAL A 1 166 ? -28.091 -15.873 37.563 1.00 46.30 ? 166 VAL A O 1 ATOM 1312 C CB . VAL A 1 166 ? -28.148 -15.866 34.271 1.00 47.69 ? 166 VAL A CB 1 ATOM 1313 C CG1 . VAL A 1 166 ? -27.945 -15.120 32.965 1.00 49.50 ? 166 VAL A CG1 1 ATOM 1314 C CG2 . VAL A 1 166 ? -26.918 -16.732 34.543 1.00 49.70 ? 166 VAL A CG2 1 ATOM 1315 N N . CYS A 1 167 ? -30.193 -16.093 36.462 1.00 62.38 ? 167 CYS A N 1 ATOM 1316 C CA . CYS A 1 167 ? -30.838 -16.861 37.516 1.00 68.83 ? 167 CYS A CA 1 ATOM 1317 C C . CYS A 1 167 ? -31.612 -15.901 38.399 1.00 67.14 ? 167 CYS A C 1 ATOM 1318 O O . CYS A 1 167 ? -32.140 -16.271 39.444 1.00 52.44 ? 167 CYS A O 1 ATOM 1319 C CB . CYS A 1 167 ? -29.800 -17.622 38.341 1.00 76.94 ? 167 CYS A CB 1 ATOM 1320 S SG . CYS A 1 167 ? -29.496 -19.314 37.781 1.00 91.71 ? 167 CYS A SG 1 ATOM 1321 N N . PRO A 1 168 ? -31.815 -14.705 37.870 1.00 65.40 ? 168 PRO A N 1 ATOM 1322 C CA . PRO A 1 168 ? -31.083 -13.470 38.080 1.00 73.43 ? 168 PRO A CA 1 ATOM 1323 C C . PRO A 1 168 ? -31.733 -12.481 39.018 1.00 83.97 ? 168 PRO A C 1 ATOM 1324 O O . PRO A 1 168 ? -32.939 -12.287 38.929 1.00 78.10 ? 168 PRO A O 1 ATOM 1325 C CB . PRO A 1 168 ? -31.085 -12.846 36.690 1.00 80.66 ? 168 PRO A CB 1 ATOM 1326 C CG . PRO A 1 168 ? -32.417 -13.195 36.113 1.00 77.55 ? 168 PRO A CG 1 ATOM 1327 C CD . PRO A 1 168 ? -33.008 -14.284 36.966 1.00 74.99 ? 168 PRO A CD 1 ATOM 1328 N N . THR A 1 169 ? -30.913 -11.893 39.889 1.00 92.70 ? 169 THR A N 1 ATOM 1329 C CA . THR A 1 169 ? -31.224 -10.742 40.744 1.00 96.50 ? 169 THR A CA 1 ATOM 1330 C C . THR A 1 169 ? -30.842 -11.008 42.192 1.00 109.45 ? 169 THR A C 1 ATOM 1331 O O . THR A 1 169 ? -29.823 -10.499 42.651 1.00 116.96 ? 169 THR A O 1 ATOM 1332 C CB . THR A 1 169 ? -32.657 -10.196 40.609 1.00 100.55 ? 169 THR A CB 1 ATOM 1333 O OG1 . THR A 1 169 ? -32.865 -9.764 39.259 1.00 100.48 ? 169 THR A OG1 1 ATOM 1334 C CG2 . THR A 1 169 ? -32.867 -9.011 41.536 1.00 100.50 ? 169 THR A CG2 1 ATOM 1335 N N . PRO A 1 170 ? -31.552 -11.939 42.830 1.00 120.94 ? 170 PRO A N 1 ATOM 1336 C CA . PRO A 1 170 ? -31.163 -12.492 44.137 1.00 125.70 ? 170 PRO A CA 1 ATOM 1337 C C . PRO A 1 170 ? -29.835 -13.241 44.012 1.00 129.92 ? 170 PRO A C 1 ATOM 1338 O O . PRO A 1 170 ? -29.543 -13.772 42.940 1.00 138.13 ? 170 PRO A O 1 ATOM 1339 C CB . PRO A 1 170 ? -32.296 -13.469 44.450 1.00 122.50 ? 170 PRO A CB 1 ATOM 1340 C CG . PRO A 1 170 ? -33.473 -12.919 43.720 1.00 119.12 ? 170 PRO A CG 1 ATOM 1341 C CD . PRO A 1 170 ? -32.929 -12.310 42.459 1.00 119.82 ? 170 PRO A CD 1 ATOM 1342 N N . PRO A 1 171 ? -29.031 -13.255 45.074 1.00 130.77 ? 171 PRO A N 1 ATOM 1343 C CA . PRO A 1 171 ? -27.580 -13.488 44.943 1.00 129.16 ? 171 PRO A CA 1 ATOM 1344 C C . PRO A 1 171 ? -26.991 -14.809 44.394 1.00 128.48 ? 171 PRO A C 1 ATOM 1345 O O . PRO A 1 171 ? -26.005 -14.741 43.659 1.00 129.80 ? 171 PRO A O 1 ATOM 1346 C CB . PRO A 1 171 ? -27.072 -13.269 46.374 1.00 130.24 ? 171 PRO A CB 1 ATOM 1347 C CG . PRO A 1 171 ? -28.236 -13.616 47.238 1.00 128.92 ? 171 PRO A CG 1 ATOM 1348 C CD . PRO A 1 171 ? -29.454 -13.164 46.483 1.00 128.32 ? 171 PRO A CD 1 ATOM 1349 N N . TYR A 1 172 ? -27.540 -15.963 44.756 1.00 126.19 ? 172 TYR A N 1 ATOM 1350 C CA . TYR A 1 172 ? -26.795 -17.226 44.778 1.00 130.70 ? 172 TYR A CA 1 ATOM 1351 C C . TYR A 1 172 ? -27.644 -18.437 44.387 1.00 132.89 ? 172 TYR A C 1 ATOM 1352 O O . TYR A 1 172 ? -28.850 -18.297 44.219 1.00 131.09 ? 172 TYR A O 1 ATOM 1353 C CB . TYR A 1 172 ? -26.273 -17.442 46.193 1.00 134.39 ? 172 TYR A CB 1 ATOM 1354 C CG . TYR A 1 172 ? -27.380 -17.775 47.152 1.00 139.05 ? 172 TYR A CG 1 ATOM 1355 C CD1 . TYR A 1 172 ? -27.158 -18.602 48.244 1.00 133.50 ? 172 TYR A CD1 1 ATOM 1356 C CD2 . TYR A 1 172 ? -28.664 -17.277 46.949 1.00 151.73 ? 172 TYR A CD2 1 ATOM 1357 C CE1 . TYR A 1 172 ? -28.182 -18.914 49.118 1.00 138.56 ? 172 TYR A CE1 1 ATOM 1358 C CE2 . TYR A 1 172 ? -29.691 -17.578 47.816 1.00 159.36 ? 172 TYR A CE2 1 ATOM 1359 C CZ . TYR A 1 172 ? -29.447 -18.400 48.896 1.00 154.54 ? 172 TYR A CZ 1 ATOM 1360 O OH . TYR A 1 172 ? -30.466 -18.708 49.759 1.00 167.18 ? 172 TYR A OH 1 ATOM 1361 N N . GLN A 1 173 ? -27.063 -19.640 44.285 1.00 138.65 ? 173 GLN A N 1 ATOM 1362 C CA . GLN A 1 173 ? -25.632 -19.959 44.240 1.00 138.25 ? 173 GLN A CA 1 ATOM 1363 C C . GLN A 1 173 ? -25.539 -21.391 43.731 1.00 134.47 ? 173 GLN A C 1 ATOM 1364 O O . GLN A 1 173 ? -26.509 -22.139 43.876 1.00 143.22 ? 173 GLN A O 1 ATOM 1365 C CB . GLN A 1 173 ? -25.009 -19.940 45.634 1.00 139.32 ? 173 GLN A CB 1 ATOM 1366 C CG . GLN A 1 173 ? -23.486 -20.121 45.658 1.00 134.58 ? 173 GLN A CG 1 ATOM 1367 C CD . GLN A 1 173 ? -22.845 -19.934 47.030 1.00 131.04 ? 173 GLN A CD 1 ATOM 1368 O OE1 . GLN A 1 173 ? -23.048 -20.728 47.946 1.00 133.54 ? 173 GLN A OE1 1 ATOM 1369 N NE2 . GLN A 1 173 ? -22.041 -18.891 47.165 1.00 126.60 ? 173 GLN A NE2 1 ATOM 1370 N N . SER A 1 174 ? -24.370 -21.787 43.216 1.00 120.80 ? 174 SER A N 1 ATOM 1371 C CA . SER A 1 174 ? -23.979 -23.194 43.015 1.00 105.81 ? 174 SER A CA 1 ATOM 1372 C C . SER A 1 174 ? -22.853 -23.342 42.008 1.00 92.77 ? 174 SER A C 1 ATOM 1373 O O . SER A 1 174 ? -21.739 -23.734 42.339 1.00 90.31 ? 174 SER A O 1 ATOM 1374 C CB . SER A 1 174 ? -25.152 -24.060 42.559 1.00 107.90 ? 174 SER A CB 1 ATOM 1375 O OG . SER A 1 174 ? -26.219 -23.995 43.486 1.00 107.07 ? 174 SER A OG 1 ATOM 1376 N N . LEU A 1 175 ? -23.131 -23.072 40.845 1.00 79.32 ? 175 LEU A N 1 ATOM 1377 C CA . LEU A 1 175 ? -22.124 -22.894 39.794 1.00 61.52 ? 175 LEU A CA 1 ATOM 1378 C C . LEU A 1 175 ? -21.643 -21.435 39.937 1.00 52.49 ? 175 LEU A C 1 ATOM 1379 O O . LEU A 1 175 ? -22.086 -20.684 40.843 1.00 48.71 ? 175 LEU A O 1 ATOM 1380 C CB . LEU A 1 175 ? -22.682 -23.222 38.384 1.00 56.28 ? 175 LEU A CB 1 ATOM 1381 C CG . LEU A 1 175 ? -24.026 -22.656 37.879 1.00 59.76 ? 175 LEU A CG 1 ATOM 1382 C CD1 . LEU A 1 175 ? -24.020 -22.268 36.392 1.00 57.84 ? 175 LEU A CD1 1 ATOM 1383 C CD2 . LEU A 1 175 ? -25.165 -23.635 38.143 1.00 62.44 ? 175 LEU A CD2 1 ATOM 1384 N N . ALA A 1 176 ? -20.725 -21.037 39.073 1.00 43.82 ? 176 ALA A N 1 ATOM 1385 C CA . ALA A 1 176 ? -20.147 -19.707 39.165 1.00 38.82 ? 176 ALA A CA 1 ATOM 1386 C C . ALA A 1 176 ? -21.086 -18.653 38.671 1.00 31.62 ? 176 ALA A C 1 ATOM 1387 O O . ALA A 1 176 ? -21.920 -18.905 37.821 1.00 31.00 ? 176 ALA A O 1 ATOM 1388 C CB . ALA A 1 176 ? -18.817 -19.647 38.402 1.00 42.17 ? 176 ALA A CB 1 ATOM 1389 N N . ARG A 1 177 ? -20.921 -17.434 39.186 1.00 29.32 ? 177 ARG A N 1 ATOM 1390 C CA . ARG A 1 177 ? -21.732 -16.324 38.761 1.00 29.29 ? 177 ARG A CA 1 ATOM 1391 C C . ARG A 1 177 ? -21.467 -15.971 37.319 1.00 28.66 ? 177 ARG A C 1 ATOM 1392 O O . ARG A 1 177 ? -20.327 -15.788 36.896 1.00 26.75 ? 177 ARG A O 1 ATOM 1393 C CB . ARG A 1 177 ? -21.441 -15.161 39.637 1.00 29.50 ? 177 ARG A CB 1 ATOM 1394 C CG . ARG A 1 177 ? -22.194 -13.910 39.297 1.00 29.47 ? 177 ARG A CG 1 ATOM 1395 C CD . ARG A 1 177 ? -22.458 -13.326 40.636 1.00 35.45 ? 177 ARG A CD 1 ATOM 1396 N NE . ARG A 1 177 ? -22.370 -11.945 40.660 1.00 37.25 ? 177 ARG A NE 1 ATOM 1397 C CZ . ARG A 1 177 ? -22.774 -11.235 41.683 1.00 38.63 ? 177 ARG A CZ 1 ATOM 1398 N NH1 . ARG A 1 177 ? -23.349 -11.808 42.774 1.00 37.47 ? 177 ARG A NH1 1 ATOM 1399 N NH2 . ARG A 1 177 ? -22.645 -9.947 41.571 1.00 36.66 ? 177 ARG A NH2 1 ATOM 1400 N N . GLU A 1 178 ? -22.549 -15.920 36.549 1.00 25.98 ? 178 GLU A N 1 ATOM 1401 C CA . GLU A 1 178 ? -22.491 -15.606 35.143 1.00 25.09 ? 178 GLU A CA 1 ATOM 1402 C C . GLU A 1 178 ? -23.234 -14.296 34.830 1.00 26.11 ? 178 GLU A C 1 ATOM 1403 O O . GLU A 1 178 ? -24.496 -14.165 35.000 1.00 23.29 ? 178 GLU A O 1 ATOM 1404 C CB . GLU A 1 178 ? -23.085 -16.751 34.356 1.00 27.65 ? 178 GLU A CB 1 ATOM 1405 C CG . GLU A 1 178 ? -22.494 -18.133 34.554 1.00 29.01 ? 178 GLU A CG 1 ATOM 1406 C CD . GLU A 1 178 ? -21.023 -18.193 34.217 1.00 28.46 ? 178 GLU A CD 1 ATOM 1407 O OE1 . GLU A 1 178 ? -20.339 -19.206 34.597 1.00 26.88 ? 178 GLU A OE1 1 ATOM 1408 O OE2 . GLU A 1 178 ? -20.530 -17.166 33.618 1.00 24.27 ? 178 GLU A OE2 1 ATOM 1409 N N . GLN A 1 179 ? -22.490 -13.325 34.368 1.00 20.80 ? 179 GLN A N 1 ATOM 1410 C CA . GLN A 1 179 ? -23.036 -12.027 33.950 1.00 20.93 ? 179 GLN A CA 1 ATOM 1411 C C . GLN A 1 179 ? -23.877 -12.085 32.695 1.00 21.00 ? 179 GLN A C 1 ATOM 1412 O O . GLN A 1 179 ? -23.688 -12.919 31.763 1.00 23.14 ? 179 GLN A O 1 ATOM 1413 C CB . GLN A 1 179 ? -21.978 -10.932 33.727 1.00 21.29 ? 179 GLN A CB 1 ATOM 1414 C CG . GLN A 1 179 ? -21.306 -10.487 34.965 1.00 19.55 ? 179 GLN A CG 1 ATOM 1415 C CD . GLN A 1 179 ? -20.417 -11.559 35.549 1.00 19.56 ? 179 GLN A CD 1 ATOM 1416 O OE1 . GLN A 1 179 ? -19.837 -12.385 34.829 1.00 22.22 ? 179 GLN A OE1 1 ATOM 1417 N NE2 . GLN A 1 179 ? -20.290 -11.561 36.886 1.00 18.60 ? 179 GLN A NE2 1 ATOM 1418 N N . ILE A 1 180 ? -24.839 -11.160 32.660 1.00 21.64 ? 180 ILE A N 1 ATOM 1419 C CA . ILE A 1 180 ? -25.837 -11.156 31.594 1.00 23.51 ? 180 ILE A CA 1 ATOM 1420 C C . ILE A 1 180 ? -25.439 -10.260 30.436 1.00 21.82 ? 180 ILE A C 1 ATOM 1421 O O . ILE A 1 180 ? -24.791 -9.248 30.645 1.00 23.08 ? 180 ILE A O 1 ATOM 1422 C CB . ILE A 1 180 ? -27.200 -10.590 32.075 1.00 24.44 ? 180 ILE A CB 1 ATOM 1423 C CG1 . ILE A 1 180 ? -27.775 -11.470 33.172 1.00 27.41 ? 180 ILE A CG1 1 ATOM 1424 C CG2 . ILE A 1 180 ? -28.153 -10.583 30.868 1.00 25.32 ? 180 ILE A CG2 1 ATOM 1425 C CD1 . ILE A 1 180 ? -28.876 -10.797 33.963 1.00 32.86 ? 180 ILE A CD1 1 ATOM 1426 N N . ASN A 1 181 ? -25.770 -10.678 29.230 1.00 20.17 ? 181 ASN A N 1 ATOM 1427 C CA . ASN A 1 181 ? -25.688 -9.810 28.057 1.00 22.20 ? 181 ASN A CA 1 ATOM 1428 C C . ASN A 1 181 ? -27.113 -9.428 27.689 1.00 23.20 ? 181 ASN A C 1 ATOM 1429 O O . ASN A 1 181 ? -27.876 -10.250 27.162 1.00 21.31 ? 181 ASN A O 1 ATOM 1430 C CB . ASN A 1 181 ? -24.996 -10.449 26.846 1.00 20.77 ? 181 ASN A CB 1 ATOM 1431 C CG . ASN A 1 181 ? -24.785 -9.485 25.704 1.00 20.09 ? 181 ASN A CG 1 ATOM 1432 O OD1 . ASN A 1 181 ? -25.117 -8.324 25.806 1.00 22.78 ? 181 ASN A OD1 1 ATOM 1433 N ND2 . ASN A 1 181 ? -24.317 -9.982 24.565 1.00 20.20 ? 181 ASN A ND2 1 ATOM 1434 N N . ALA A 1 182 ? -27.397 -8.145 27.948 1.00 24.71 ? 182 ALA A N 1 ATOM 1435 C CA . ALA A 1 182 ? -28.696 -7.509 27.742 1.00 27.15 ? 182 ALA A CA 1 ATOM 1436 C C . ALA A 1 182 ? -28.973 -7.226 26.266 1.00 26.83 ? 182 ALA A C 1 ATOM 1437 O O . ALA A 1 182 ? -30.081 -6.793 25.941 1.00 24.48 ? 182 ALA A O 1 ATOM 1438 C CB . ALA A 1 182 ? -28.793 -6.233 28.553 1.00 27.48 ? 182 ALA A CB 1 ATOM 1439 N N . VAL A 1 183 ? -28.017 -7.441 25.346 1.00 21.52 ? 183 VAL A N 1 ATOM 1440 C CA . VAL A 1 183 ? -28.338 -7.209 23.960 1.00 23.25 ? 183 VAL A CA 1 ATOM 1441 C C . VAL A 1 183 ? -28.083 -8.445 23.136 1.00 20.97 ? 183 VAL A C 1 ATOM 1442 O O . VAL A 1 183 ? -27.495 -9.377 23.620 1.00 21.48 ? 183 VAL A O 1 ATOM 1443 C CB . VAL A 1 183 ? -27.701 -5.916 23.397 1.00 25.51 ? 183 VAL A CB 1 ATOM 1444 C CG1 . VAL A 1 183 ? -28.138 -4.737 24.264 1.00 25.36 ? 183 VAL A CG1 1 ATOM 1445 C CG2 . VAL A 1 183 ? -26.149 -6.036 23.284 1.00 22.90 ? 183 VAL A CG2 1 ATOM 1446 N N . THR A 1 184 ? -28.500 -8.403 21.868 1.00 21.00 ? 184 THR A N 1 ATOM 1447 C CA . THR A 1 184 ? -28.353 -9.535 21.028 1.00 20.48 ? 184 THR A CA 1 ATOM 1448 C C . THR A 1 184 ? -26.917 -9.694 20.589 1.00 21.00 ? 184 THR A C 1 ATOM 1449 O O . THR A 1 184 ? -26.346 -8.701 20.090 1.00 22.14 ? 184 THR A O 1 ATOM 1450 C CB . THR A 1 184 ? -29.212 -9.437 19.747 1.00 20.37 ? 184 THR A CB 1 ATOM 1451 O OG1 . THR A 1 184 ? -28.701 -8.434 18.885 1.00 22.46 ? 184 THR A OG1 1 ATOM 1452 C CG2 . THR A 1 184 ? -30.717 -9.232 20.071 1.00 22.73 ? 184 THR A CG2 1 ATOM 1453 N N . SER A 1 185 ? -26.410 -10.941 20.642 1.00 23.50 ? 185 SER A N 1 ATOM 1454 C CA . SER A 1 185 ? -25.020 -11.253 20.247 1.00 23.89 ? 185 SER A CA 1 ATOM 1455 C C . SER A 1 185 ? -24.742 -11.083 18.762 1.00 24.86 ? 185 SER A C 1 ATOM 1456 O O . SER A 1 185 ? -23.582 -10.929 18.376 1.00 21.35 ? 185 SER A O 1 ATOM 1457 C CB . SER A 1 185 ? -24.580 -12.654 20.679 1.00 23.99 ? 185 SER A CB 1 ATOM 1458 O OG . SER A 1 185 ? -24.481 -12.811 22.084 1.00 22.63 ? 185 SER A OG 1 ATOM 1459 N N . PHE A 1 186 ? -25.791 -11.167 17.931 1.00 23.74 ? 186 PHE A N 1 ATOM 1460 C CA . PHE A 1 186 ? -25.696 -10.899 16.495 1.00 24.00 ? 186 PHE A CA 1 ATOM 1461 C C . PHE A 1 186 ? -25.415 -9.455 16.195 1.00 23.54 ? 186 PHE A C 1 ATOM 1462 O O . PHE A 1 186 ? -25.894 -8.532 16.897 1.00 24.17 ? 186 PHE A O 1 ATOM 1463 C CB . PHE A 1 186 ? -26.955 -11.415 15.730 1.00 25.09 ? 186 PHE A CB 1 ATOM 1464 C CG . PHE A 1 186 ? -27.235 -12.862 16.013 1.00 22.61 ? 186 PHE A CG 1 ATOM 1465 C CD1 . PHE A 1 186 ? -26.420 -13.858 15.486 1.00 22.12 ? 186 PHE A CD1 1 ATOM 1466 C CD2 . PHE A 1 186 ? -28.197 -13.218 16.967 1.00 23.65 ? 186 PHE A CD2 1 ATOM 1467 C CE1 . PHE A 1 186 ? -26.600 -15.188 15.856 1.00 24.28 ? 186 PHE A CE1 1 ATOM 1468 C CE2 . PHE A 1 186 ? -28.372 -14.555 17.322 1.00 24.25 ? 186 PHE A CE2 1 ATOM 1469 C CZ . PHE A 1 186 ? -27.574 -15.548 16.757 1.00 22.17 ? 186 PHE A CZ 1 ATOM 1470 N N . LEU A 1 187 ? -24.597 -9.253 15.166 1.00 23.48 ? 187 LEU A N 1 ATOM 1471 C CA . LEU A 1 187 ? -24.373 -7.941 14.625 1.00 24.60 ? 187 LEU A CA 1 ATOM 1472 C C . LEU A 1 187 ? -25.584 -7.580 13.709 1.00 27.08 ? 187 LEU A C 1 ATOM 1473 O O . LEU A 1 187 ? -25.571 -7.883 12.499 1.00 28.07 ? 187 LEU A O 1 ATOM 1474 C CB . LEU A 1 187 ? -23.064 -7.966 13.828 1.00 22.58 ? 187 LEU A CB 1 ATOM 1475 C CG . LEU A 1 187 ? -22.563 -6.612 13.400 1.00 24.55 ? 187 LEU A CG 1 ATOM 1476 C CD1 . LEU A 1 187 ? -22.529 -5.643 14.594 1.00 23.45 ? 187 LEU A CD1 1 ATOM 1477 C CD2 . LEU A 1 187 ? -21.198 -6.731 12.768 1.00 25.11 ? 187 LEU A CD2 1 ATOM 1478 N N . ASP A 1 188 ? -26.592 -6.971 14.329 1.00 27.92 ? 188 ASP A N 1 ATOM 1479 C CA . ASP A 1 188 ? -27.954 -6.915 13.796 1.00 26.22 ? 188 ASP A CA 1 ATOM 1480 C C . ASP A 1 188 ? -28.646 -5.573 13.935 1.00 29.13 ? 188 ASP A C 1 ATOM 1481 O O . ASP A 1 188 ? -29.900 -5.472 13.878 1.00 28.96 ? 188 ASP A O 1 ATOM 1482 C CB . ASP A 1 188 ? -28.766 -8.004 14.429 1.00 27.65 ? 188 ASP A CB 1 ATOM 1483 C CG . ASP A 1 188 ? -28.905 -7.856 15.911 1.00 27.73 ? 188 ASP A CG 1 ATOM 1484 O OD1 . ASP A 1 188 ? -28.205 -7.014 16.504 1.00 28.55 ? 188 ASP A OD1 1 ATOM 1485 O OD2 . ASP A 1 188 ? -29.698 -8.637 16.499 1.00 25.33 ? 188 ASP A OD2 1 ATOM 1486 N N . ALA A 1 189 ? -27.852 -4.531 14.158 1.00 28.06 ? 189 ALA A N 1 ATOM 1487 C CA . ALA A 1 189 ? -28.393 -3.211 14.430 1.00 30.53 ? 189 ALA A CA 1 ATOM 1488 C C . ALA A 1 189 ? -29.357 -3.193 15.579 1.00 29.60 ? 189 ALA A C 1 ATOM 1489 O O . ALA A 1 189 ? -30.227 -2.335 15.638 1.00 29.32 ? 189 ALA A O 1 ATOM 1490 C CB . ALA A 1 189 ? -29.041 -2.651 13.177 1.00 34.13 ? 189 ALA A CB 1 ATOM 1491 N N . SER A 1 190 ? -29.162 -4.078 16.558 1.00 30.41 ? 190 SER A N 1 ATOM 1492 C CA . SER A 1 190 ? -29.984 -4.037 17.759 1.00 25.00 ? 190 SER A CA 1 ATOM 1493 C C . SER A 1 190 ? -29.862 -2.762 18.523 1.00 28.05 ? 190 SER A C 1 ATOM 1494 O O . SER A 1 190 ? -30.718 -2.471 19.373 1.00 26.39 ? 190 SER A O 1 ATOM 1495 C CB . SER A 1 190 ? -29.759 -5.238 18.663 1.00 28.58 ? 190 SER A CB 1 ATOM 1496 O OG . SER A 1 190 ? -28.373 -5.448 18.939 1.00 27.43 ? 190 SER A OG 1 ATOM 1497 N N . LEU A 1 191 ? -28.768 -2.022 18.321 1.00 25.87 ? 191 LEU A N 1 ATOM 1498 C CA . LEU A 1 191 ? -28.676 -0.723 19.010 1.00 26.03 ? 191 LEU A CA 1 ATOM 1499 C C . LEU A 1 191 ? -29.611 0.308 18.408 1.00 24.56 ? 191 LEU A C 1 ATOM 1500 O O . LEU A 1 191 ? -29.860 1.296 19.029 1.00 23.63 ? 191 LEU A O 1 ATOM 1501 C CB . LEU A 1 191 ? -27.218 -0.175 19.104 1.00 25.69 ? 191 LEU A CB 1 ATOM 1502 C CG . LEU A 1 191 ? -26.605 0.434 17.863 1.00 26.03 ? 191 LEU A CG 1 ATOM 1503 C CD1 . LEU A 1 191 ? -25.273 1.099 18.106 1.00 25.55 ? 191 LEU A CD1 1 ATOM 1504 C CD2 . LEU A 1 191 ? -26.496 -0.543 16.724 1.00 29.61 ? 191 LEU A CD2 1 ATOM 1505 N N . VAL A 1 192 ? -30.055 0.101 17.169 1.00 29.53 ? 192 VAL A N 1 ATOM 1506 C CA . VAL A 1 192 ? -31.041 1.006 16.553 1.00 29.79 ? 192 VAL A CA 1 ATOM 1507 C C . VAL A 1 192 ? -32.464 0.538 16.852 1.00 32.18 ? 192 VAL A C 1 ATOM 1508 O O . VAL A 1 192 ? -33.377 1.335 17.194 1.00 34.88 ? 192 VAL A O 1 ATOM 1509 C CB . VAL A 1 192 ? -30.881 1.006 15.056 1.00 30.26 ? 192 VAL A CB 1 ATOM 1510 C CG1 . VAL A 1 192 ? -32.033 1.770 14.387 1.00 32.63 ? 192 VAL A CG1 1 ATOM 1511 C CG2 . VAL A 1 192 ? -29.505 1.512 14.653 1.00 30.79 ? 192 VAL A CG2 1 ATOM 1512 N N . TYR A 1 193 ? -32.679 -0.757 16.720 1.00 32.77 ? 193 TYR A N 1 ATOM 1513 C CA . TYR A 1 193 ? -34.044 -1.288 16.837 1.00 34.97 ? 193 TYR A CA 1 ATOM 1514 C C . TYR A 1 193 ? -34.427 -1.720 18.212 1.00 35.40 ? 193 TYR A C 1 ATOM 1515 O O . TYR A 1 193 ? -35.608 -1.878 18.468 1.00 35.61 ? 193 TYR A O 1 ATOM 1516 C CB . TYR A 1 193 ? -34.258 -2.399 15.840 1.00 30.24 ? 193 TYR A CB 1 ATOM 1517 C CG . TYR A 1 193 ? -34.022 -1.888 14.498 1.00 32.66 ? 193 TYR A CG 1 ATOM 1518 C CD1 . TYR A 1 193 ? -34.914 -0.971 13.903 1.00 31.24 ? 193 TYR A CD1 1 ATOM 1519 C CD2 . TYR A 1 193 ? -32.882 -2.241 13.796 1.00 33.91 ? 193 TYR A CD2 1 ATOM 1520 C CE1 . TYR A 1 193 ? -34.641 -0.453 12.635 1.00 31.15 ? 193 TYR A CE1 1 ATOM 1521 C CE2 . TYR A 1 193 ? -32.628 -1.720 12.541 1.00 33.86 ? 193 TYR A CE2 1 ATOM 1522 C CZ . TYR A 1 193 ? -33.549 -0.853 11.952 1.00 32.28 ? 193 TYR A CZ 1 ATOM 1523 O OH . TYR A 1 193 ? -33.225 -0.347 10.689 1.00 39.24 ? 193 TYR A OH 1 ATOM 1524 N N . GLY A 1 194 ? -33.466 -1.913 19.114 1.00 29.21 ? 194 GLY A N 1 ATOM 1525 C CA . GLY A 1 194 ? -33.778 -2.555 20.433 1.00 24.77 ? 194 GLY A CA 1 ATOM 1526 C C . GLY A 1 194 ? -33.595 -4.070 20.394 1.00 22.73 ? 194 GLY A C 1 ATOM 1527 O O . GLY A 1 194 ? -33.526 -4.631 19.317 1.00 28.71 ? 194 GLY A O 1 ATOM 1528 N N . SER A 1 195 ? -33.381 -4.679 21.567 1.00 22.19 ? 195 SER A N 1 ATOM 1529 C CA . SER A 1 195 ? -33.248 -6.123 21.784 1.00 25.69 ? 195 SER A CA 1 ATOM 1530 C C . SER A 1 195 ? -34.369 -6.677 22.660 1.00 28.96 ? 195 SER A C 1 ATOM 1531 O O . SER A 1 195 ? -34.307 -7.824 23.121 1.00 28.45 ? 195 SER A O 1 ATOM 1532 C CB . SER A 1 195 ? -31.908 -6.476 22.503 1.00 25.76 ? 195 SER A CB 1 ATOM 1533 O OG . SER A 1 195 ? -30.841 -5.957 21.726 1.00 26.09 ? 195 SER A OG 1 ATOM 1534 N N . GLU A 1 196 ? -35.399 -5.864 22.915 1.00 34.70 ? 196 GLU A N 1 ATOM 1535 C CA . GLU A 1 196 ? -36.531 -6.299 23.767 1.00 37.26 ? 196 GLU A CA 1 ATOM 1536 C C . GLU A 1 196 ? -37.835 -5.843 23.028 1.00 40.62 ? 196 GLU A C 1 ATOM 1537 O O . GLU A 1 196 ? -37.820 -4.785 22.375 1.00 35.90 ? 196 GLU A O 1 ATOM 1538 C CB . GLU A 1 196 ? -36.409 -5.622 25.102 1.00 42.62 ? 196 GLU A CB 1 ATOM 1539 C CG . GLU A 1 196 ? -36.515 -6.514 26.301 1.00 50.55 ? 196 GLU A CG 1 ATOM 1540 C CD . GLU A 1 196 ? -35.705 -5.965 27.442 1.00 59.45 ? 196 GLU A CD 1 ATOM 1541 O OE1 . GLU A 1 196 ? -36.298 -5.496 28.448 1.00 60.33 ? 196 GLU A OE1 1 ATOM 1542 O OE2 . GLU A 1 196 ? -34.467 -5.996 27.320 1.00 66.79 ? 196 GLU A OE2 1 ATOM 1543 N N . PRO A 1 197 ? -38.917 -6.663 23.069 1.00 38.89 ? 197 PRO A N 1 ATOM 1544 C CA . PRO A 1 197 ? -40.219 -6.322 22.393 1.00 39.29 ? 197 PRO A CA 1 ATOM 1545 C C . PRO A 1 197 ? -40.863 -4.978 22.675 1.00 32.02 ? 197 PRO A C 1 ATOM 1546 O O . PRO A 1 197 ? -41.174 -4.250 21.758 1.00 40.50 ? 197 PRO A O 1 ATOM 1547 C CB . PRO A 1 197 ? -41.116 -7.469 22.852 1.00 41.50 ? 197 PRO A CB 1 ATOM 1548 C CG . PRO A 1 197 ? -40.176 -8.636 22.764 1.00 41.54 ? 197 PRO A CG 1 ATOM 1549 C CD . PRO A 1 197 ? -38.856 -8.120 23.312 1.00 36.51 ? 197 PRO A CD 1 HETATM 1550 N N . SEP A 1 198 ? -41.084 -4.660 23.927 1.00 37.92 ? 198 SEP A N 1 HETATM 1551 C CA . SEP A 1 198 ? -41.395 -3.477 24.664 1.00 42.30 ? 198 SEP A CA 1 HETATM 1552 C CB . SEP A 1 198 ? -40.897 -3.913 26.078 1.00 45.55 ? 198 SEP A CB 1 HETATM 1553 O OG . SEP A 1 198 ? -41.215 -5.356 26.405 1.00 57.81 ? 198 SEP A OG 1 HETATM 1554 C C . SEP A 1 198 ? -40.704 -2.366 23.865 1.00 50.51 ? 198 SEP A C 1 HETATM 1555 O O . SEP A 1 198 ? -41.337 -1.523 23.194 1.00 53.06 ? 198 SEP A O 1 HETATM 1556 P P . SEP A 1 198 ? -40.222 -6.634 26.850 1.00 34.27 ? 198 SEP A P 1 HETATM 1557 O O1P . SEP A 1 198 ? -39.347 -6.455 25.630 1.00 58.00 ? 198 SEP A O1P 1 HETATM 1558 O O2P . SEP A 1 198 ? -40.763 -7.962 27.044 1.00 51.72 ? 198 SEP A O2P 1 HETATM 1559 O O3P . SEP A 1 198 ? -39.773 -6.437 28.260 1.00 40.55 ? 198 SEP A O3P 1 ATOM 1560 N N . LEU A 1 199 ? -39.372 -2.372 23.878 1.00 46.47 ? 199 LEU A N 1 ATOM 1561 C CA . LEU A 1 199 ? -38.642 -1.208 23.415 1.00 40.02 ? 199 LEU A CA 1 ATOM 1562 C C . LEU A 1 199 ? -38.739 -1.132 21.925 1.00 39.98 ? 199 LEU A C 1 ATOM 1563 O O . LEU A 1 199 ? -38.863 -0.039 21.362 1.00 40.46 ? 199 LEU A O 1 ATOM 1564 C CB . LEU A 1 199 ? -37.162 -1.237 23.919 1.00 41.17 ? 199 LEU A CB 1 ATOM 1565 C CG . LEU A 1 199 ? -36.184 -0.168 23.377 1.00 41.59 ? 199 LEU A CG 1 ATOM 1566 C CD1 . LEU A 1 199 ? -36.617 1.200 23.845 1.00 41.92 ? 199 LEU A CD1 1 ATOM 1567 C CD2 . LEU A 1 199 ? -34.734 -0.450 23.866 1.00 36.85 ? 199 LEU A CD2 1 ATOM 1568 N N . ALA A 1 200 ? -38.695 -2.277 21.270 1.00 37.94 ? 200 ALA A N 1 ATOM 1569 C CA . ALA A 1 200 ? -38.648 -2.295 19.836 1.00 39.61 ? 200 ALA A CA 1 ATOM 1570 C C . ALA A 1 200 ? -39.922 -1.677 19.177 1.00 44.71 ? 200 ALA A C 1 ATOM 1571 O O . ALA A 1 200 ? -39.834 -1.123 18.078 1.00 39.65 ? 200 ALA A O 1 ATOM 1572 C CB . ALA A 1 200 ? -38.474 -3.706 19.359 1.00 38.35 ? 200 ALA A CB 1 ATOM 1573 N N . SER A 1 201 ? -41.080 -1.817 19.814 1.00 49.22 ? 201 SER A N 1 ATOM 1574 C CA . SER A 1 201 ? -42.350 -1.294 19.227 1.00 52.46 ? 201 SER A CA 1 ATOM 1575 C C . SER A 1 201 ? -42.533 0.196 19.514 1.00 56.58 ? 201 SER A C 1 ATOM 1576 O O . SER A 1 201 ? -42.944 0.973 18.634 1.00 59.01 ? 201 SER A O 1 ATOM 1577 C CB . SER A 1 201 ? -43.578 -2.077 19.746 1.00 55.82 ? 201 SER A CB 1 ATOM 1578 O OG . SER A 1 201 ? -44.511 -2.272 18.686 1.00 55.10 ? 201 SER A OG 1 ATOM 1579 N N . ARG A 1 202 ? -42.241 0.577 20.758 1.00 48.43 ? 202 ARG A N 1 ATOM 1580 C CA . ARG A 1 202 ? -42.151 1.960 21.154 1.00 54.42 ? 202 ARG A CA 1 ATOM 1581 C C . ARG A 1 202 ? -41.345 2.863 20.208 1.00 54.79 ? 202 ARG A C 1 ATOM 1582 O O . ARG A 1 202 ? -41.627 4.049 20.061 1.00 55.04 ? 202 ARG A O 1 ATOM 1583 C CB . ARG A 1 202 ? -41.502 1.983 22.514 1.00 53.92 ? 202 ARG A CB 1 ATOM 1584 C CG . ARG A 1 202 ? -41.252 3.357 23.064 1.00 56.97 ? 202 ARG A CG 1 ATOM 1585 C CD . ARG A 1 202 ? -41.093 3.284 24.586 1.00 57.02 ? 202 ARG A CD 1 ATOM 1586 N NE . ARG A 1 202 ? -40.728 4.601 25.124 1.00 59.45 ? 202 ARG A NE 1 ATOM 1587 C CZ . ARG A 1 202 ? -40.121 4.853 26.292 1.00 60.75 ? 202 ARG A CZ 1 ATOM 1588 N NH1 . ARG A 1 202 ? -39.769 3.881 27.123 1.00 66.54 ? 202 ARG A NH1 1 ATOM 1589 N NH2 . ARG A 1 202 ? -39.848 6.112 26.634 1.00 63.42 ? 202 ARG A NH2 1 ATOM 1590 N N . LEU A 1 203 ? -40.320 2.292 19.603 1.00 50.12 ? 203 LEU A N 1 ATOM 1591 C CA . LEU A 1 203 ? -39.410 3.023 18.758 1.00 50.05 ? 203 LEU A CA 1 ATOM 1592 C C . LEU A 1 203 ? -39.970 3.275 17.375 1.00 52.47 ? 203 LEU A C 1 ATOM 1593 O O . LEU A 1 203 ? -39.463 4.157 16.692 1.00 59.48 ? 203 LEU A O 1 ATOM 1594 C CB . LEU A 1 203 ? -38.054 2.257 18.633 1.00 42.75 ? 203 LEU A CB 1 ATOM 1595 C CG . LEU A 1 203 ? -36.911 2.485 19.643 1.00 42.80 ? 203 LEU A CG 1 ATOM 1596 C CD1 . LEU A 1 203 ? -37.356 2.857 21.053 1.00 45.15 ? 203 LEU A CD1 1 ATOM 1597 C CD2 . LEU A 1 203 ? -35.995 1.264 19.701 1.00 39.44 ? 203 LEU A CD2 1 ATOM 1598 N N . ARG A 1 204 ? -40.971 2.507 16.933 1.00 54.43 ? 204 ARG A N 1 ATOM 1599 C CA . ARG A 1 204 ? -41.403 2.559 15.529 1.00 55.63 ? 204 ARG A CA 1 ATOM 1600 C C . ARG A 1 204 ? -42.502 3.597 15.278 1.00 49.97 ? 204 ARG A C 1 ATOM 1601 O O . ARG A 1 204 ? -43.208 3.998 16.206 1.00 37.41 ? 204 ARG A O 1 ATOM 1602 C CB . ARG A 1 204 ? -41.930 1.205 15.044 1.00 65.28 ? 204 ARG A CB 1 ATOM 1603 C CG . ARG A 1 204 ? -41.085 -0.004 15.405 1.00 68.95 ? 204 ARG A CG 1 ATOM 1604 C CD . ARG A 1 204 ? -41.765 -1.315 15.040 1.00 71.32 ? 204 ARG A CD 1 ATOM 1605 N NE . ARG A 1 204 ? -42.172 -1.372 13.632 1.00 71.65 ? 204 ARG A NE 1 ATOM 1606 C CZ . ARG A 1 204 ? -42.696 -2.442 13.034 1.00 74.75 ? 204 ARG A CZ 1 ATOM 1607 N NH1 . ARG A 1 204 ? -42.864 -3.584 13.700 1.00 75.40 ? 204 ARG A NH1 1 ATOM 1608 N NH2 . ARG A 1 204 ? -43.043 -2.375 11.752 1.00 73.08 ? 204 ARG A NH2 1 ATOM 1609 N N . ASN A 1 205 ? -42.634 4.012 14.015 1.00 52.58 ? 205 ASN A N 1 ATOM 1610 C CA . ASN A 1 205 ? -43.739 4.885 13.622 1.00 55.40 ? 205 ASN A CA 1 ATOM 1611 C C . ASN A 1 205 ? -44.932 4.010 13.236 1.00 56.78 ? 205 ASN A C 1 ATOM 1612 O O . ASN A 1 205 ? -45.112 3.679 12.039 1.00 52.07 ? 205 ASN A O 1 ATOM 1613 C CB . ASN A 1 205 ? -43.414 5.837 12.469 1.00 64.21 ? 205 ASN A CB 1 ATOM 1614 C CG . ASN A 1 205 ? -44.550 6.830 12.238 1.00 71.53 ? 205 ASN A CG 1 ATOM 1615 O OD1 . ASN A 1 205 ? -45.688 6.579 12.677 1.00 69.76 ? 205 ASN A OD1 1 ATOM 1616 N ND2 . ASN A 1 205 ? -44.263 7.958 11.579 1.00 74.88 ? 205 ASN A ND2 1 ATOM 1617 N N . LEU A 1 206 ? -45.730 3.676 14.255 1.00 46.21 ? 206 LEU A N 1 ATOM 1618 C CA . LEU A 1 206 ? -46.910 2.838 14.082 1.00 55.26 ? 206 LEU A CA 1 ATOM 1619 C C . LEU A 1 206 ? -48.095 3.608 13.399 1.00 54.77 ? 206 LEU A C 1 ATOM 1620 O O . LEU A 1 206 ? -48.576 3.195 12.333 1.00 52.53 ? 206 LEU A O 1 ATOM 1621 C CB . LEU A 1 206 ? -47.295 2.218 15.434 1.00 60.55 ? 206 LEU A CB 1 ATOM 1622 C CG . LEU A 1 206 ? -46.211 1.311 16.069 1.00 60.04 ? 206 LEU A CG 1 ATOM 1623 C CD1 . LEU A 1 206 ? -46.618 0.790 17.449 1.00 58.11 ? 206 LEU A CD1 1 ATOM 1624 C CD2 . LEU A 1 206 ? -45.855 0.157 15.148 1.00 59.01 ? 206 LEU A CD2 1 ATOM 1625 N N . SER A 1 207 ? -48.484 4.758 13.914 1.00 58.16 ? 207 SER A N 1 ATOM 1626 C CA . SER A 1 207 ? -49.507 5.592 13.299 1.00 57.17 ? 207 SER A CA 1 ATOM 1627 C C . SER A 1 207 ? -49.514 5.529 11.783 1.00 66.43 ? 207 SER A C 1 ATOM 1628 O O . SER A 1 207 ? -50.515 5.334 11.147 1.00 71.84 ? 207 SER A O 1 ATOM 1629 C CB . SER A 1 207 ? -49.192 7.008 13.615 1.00 58.85 ? 207 SER A CB 1 ATOM 1630 O OG . SER A 1 207 ? -49.039 7.210 14.982 1.00 67.86 ? 207 SER A OG 1 ATOM 1631 N N . SER A 1 208 ? -48.370 5.742 11.196 1.00 69.83 ? 208 SER A N 1 ATOM 1632 C CA . SER A 1 208 ? -48.222 5.670 9.741 1.00 72.93 ? 208 SER A CA 1 ATOM 1633 C C . SER A 1 208 ? -47.794 4.268 9.301 1.00 74.47 ? 208 SER A C 1 ATOM 1634 O O . SER A 1 208 ? -46.721 3.811 9.672 1.00 61.88 ? 208 SER A O 1 ATOM 1635 C CB . SER A 1 208 ? -47.158 6.689 9.279 1.00 80.59 ? 208 SER A CB 1 ATOM 1636 O OG . SER A 1 208 ? -46.662 6.399 7.978 1.00 80.52 ? 208 SER A OG 1 ATOM 1637 N N . PRO A 1 209 ? -48.613 3.581 8.490 1.00 83.90 ? 209 PRO A N 1 ATOM 1638 C CA . PRO A 1 209 ? -48.108 2.346 7.870 1.00 80.24 ? 209 PRO A CA 1 ATOM 1639 C C . PRO A 1 209 ? -46.954 2.462 6.815 1.00 77.45 ? 209 PRO A C 1 ATOM 1640 O O . PRO A 1 209 ? -46.958 1.708 5.839 1.00 74.41 ? 209 PRO A O 1 ATOM 1641 C CB . PRO A 1 209 ? -49.380 1.745 7.246 1.00 86.66 ? 209 PRO A CB 1 ATOM 1642 C CG . PRO A 1 209 ? -50.477 2.179 8.172 1.00 85.65 ? 209 PRO A CG 1 ATOM 1643 C CD . PRO A 1 209 ? -50.093 3.578 8.579 1.00 88.47 ? 209 PRO A CD 1 ATOM 1644 N N . LEU A 1 210 ? -45.966 3.347 7.011 1.00 67.67 ? 210 LEU A N 1 ATOM 1645 C CA . LEU A 1 210 ? -44.735 3.349 6.177 1.00 66.44 ? 210 LEU A CA 1 ATOM 1646 C C . LEU A 1 210 ? -43.575 2.620 6.861 1.00 62.47 ? 210 LEU A C 1 ATOM 1647 O O . LEU A 1 210 ? -42.567 2.329 6.212 1.00 61.85 ? 210 LEU A O 1 ATOM 1648 C CB . LEU A 1 210 ? -44.282 4.767 5.816 1.00 68.95 ? 210 LEU A CB 1 ATOM 1649 C CG . LEU A 1 210 ? -45.144 5.577 4.829 1.00 77.41 ? 210 LEU A CG 1 ATOM 1650 C CD1 . LEU A 1 210 ? -44.803 7.061 4.856 1.00 76.50 ? 210 LEU A CD1 1 ATOM 1651 C CD2 . LEU A 1 210 ? -44.988 5.045 3.420 1.00 77.25 ? 210 LEU A CD2 1 ATOM 1652 N N . GLY A 1 211 ? -43.718 2.335 8.154 1.00 51.96 ? 211 GLY A N 1 ATOM 1653 C CA . GLY A 1 211 ? -42.746 1.531 8.868 1.00 60.41 ? 211 GLY A CA 1 ATOM 1654 C C . GLY A 1 211 ? -41.495 2.357 9.044 1.00 57.80 ? 211 GLY A C 1 ATOM 1655 O O . GLY A 1 211 ? -40.379 1.912 8.761 1.00 52.19 ? 211 GLY A O 1 ATOM 1656 N N . LEU A 1 212 ? -41.713 3.578 9.507 1.00 57.97 ? 212 LEU A N 1 ATOM 1657 C CA . LEU A 1 212 ? -40.651 4.507 9.762 1.00 56.49 ? 212 LEU A CA 1 ATOM 1658 C C . LEU A 1 212 ? -40.369 4.303 11.220 1.00 56.98 ? 212 LEU A C 1 ATOM 1659 O O . LEU A 1 212 ? -41.179 3.699 11.934 1.00 42.20 ? 212 LEU A O 1 ATOM 1660 C CB . LEU A 1 212 ? -41.115 5.933 9.490 1.00 58.93 ? 212 LEU A CB 1 ATOM 1661 C CG . LEU A 1 212 ? -41.621 6.173 8.066 1.00 64.31 ? 212 LEU A CG 1 ATOM 1662 C CD1 . LEU A 1 212 ? -42.099 7.618 7.963 1.00 62.16 ? 212 LEU A CD1 1 ATOM 1663 C CD2 . LEU A 1 212 ? -40.557 5.869 7.007 1.00 64.21 ? 212 LEU A CD2 1 ATOM 1664 N N . MET A 1 213 ? -39.215 4.792 11.673 1.00 50.05 ? 213 MET A N 1 ATOM 1665 C CA . MET A 1 213 ? -38.972 4.822 13.094 1.00 52.29 ? 213 MET A CA 1 ATOM 1666 C C . MET A 1 213 ? -39.626 6.090 13.611 1.00 49.98 ? 213 MET A C 1 ATOM 1667 O O . MET A 1 213 ? -39.702 7.047 12.895 1.00 44.32 ? 213 MET A O 1 ATOM 1668 C CB . MET A 1 213 ? -37.457 4.811 13.366 1.00 52.62 ? 213 MET A CB 1 ATOM 1669 C CG . MET A 1 213 ? -36.819 3.457 13.080 1.00 52.47 ? 213 MET A CG 1 ATOM 1670 S SD . MET A 1 213 ? -37.443 2.218 14.222 1.00 50.46 ? 213 MET A SD 1 ATOM 1671 C CE . MET A 1 213 ? -36.334 2.423 15.613 1.00 52.64 ? 213 MET A CE 1 ATOM 1672 N N . ALA A 1 214 ? -40.065 6.095 14.861 1.00 52.68 ? 214 ALA A N 1 ATOM 1673 C CA . ALA A 1 214 ? -40.471 7.316 15.537 1.00 48.99 ? 214 ALA A CA 1 ATOM 1674 C C . ALA A 1 214 ? -39.377 8.355 15.427 1.00 58.17 ? 214 ALA A C 1 ATOM 1675 O O . ALA A 1 214 ? -38.210 8.031 15.712 1.00 56.64 ? 214 ALA A O 1 ATOM 1676 C CB . ALA A 1 214 ? -40.733 7.038 17.007 1.00 49.51 ? 214 ALA A CB 1 ATOM 1677 N N . VAL A 1 215 ? -39.731 9.582 15.022 1.00 54.36 ? 215 VAL A N 1 ATOM 1678 C CA . VAL A 1 215 ? -38.764 10.701 14.980 1.00 55.09 ? 215 VAL A CA 1 ATOM 1679 C C . VAL A 1 215 ? -39.154 11.779 15.953 1.00 51.93 ? 215 VAL A C 1 ATOM 1680 O O . VAL A 1 215 ? -40.268 11.800 16.499 1.00 62.08 ? 215 VAL A O 1 ATOM 1681 C CB . VAL A 1 215 ? -38.545 11.335 13.579 1.00 58.79 ? 215 VAL A CB 1 ATOM 1682 C CG1 . VAL A 1 215 ? -37.978 10.318 12.605 1.00 57.25 ? 215 VAL A CG1 1 ATOM 1683 C CG2 . VAL A 1 215 ? -39.818 12.002 13.042 1.00 58.82 ? 215 VAL A CG2 1 ATOM 1684 N N . ASN A 1 216 ? -38.198 12.664 16.192 1.00 56.45 ? 216 ASN A N 1 ATOM 1685 C CA . ASN A 1 216 ? -38.414 13.769 17.106 1.00 58.04 ? 216 ASN A CA 1 ATOM 1686 C C . ASN A 1 216 ? -39.503 14.711 16.565 1.00 47.64 ? 216 ASN A C 1 ATOM 1687 O O . ASN A 1 216 ? -39.527 15.001 15.367 1.00 51.26 ? 216 ASN A O 1 ATOM 1688 C CB . ASN A 1 216 ? -37.135 14.559 17.369 1.00 55.17 ? 216 ASN A CB 1 ATOM 1689 C CG . ASN A 1 216 ? -37.101 15.149 18.766 1.00 56.79 ? 216 ASN A CG 1 ATOM 1690 O OD1 . ASN A 1 216 ? -37.938 15.977 19.116 1.00 57.38 ? 216 ASN A OD1 1 ATOM 1691 N ND2 . ASN A 1 216 ? -36.102 14.753 19.560 1.00 53.86 ? 216 ASN A ND2 1 ATOM 1692 N N . GLN A 1 217 ? -40.363 15.165 17.463 1.00 48.07 ? 217 GLN A N 1 ATOM 1693 C CA . GLN A 1 217 ? -41.451 16.081 17.162 1.00 56.53 ? 217 GLN A CA 1 ATOM 1694 C C . GLN A 1 217 ? -41.196 17.488 17.722 1.00 58.07 ? 217 GLN A C 1 ATOM 1695 O O . GLN A 1 217 ? -41.961 18.384 17.443 1.00 60.04 ? 217 GLN A O 1 ATOM 1696 C CB . GLN A 1 217 ? -42.787 15.512 17.716 1.00 58.52 ? 217 GLN A CB 1 ATOM 1697 C CG . GLN A 1 217 ? -43.335 14.280 16.990 1.00 52.80 ? 217 GLN A CG 1 ATOM 1698 C CD . GLN A 1 217 ? -43.338 14.423 15.468 1.00 59.62 ? 217 GLN A CD 1 ATOM 1699 O OE1 . GLN A 1 217 ? -43.770 15.448 14.927 1.00 57.21 ? 217 GLN A OE1 1 ATOM 1700 N NE2 . GLN A 1 217 ? -42.857 13.392 14.763 1.00 60.91 ? 217 GLN A NE2 1 ATOM 1701 N N . GLU A 1 218 ? -40.118 17.685 18.479 1.00 57.80 ? 218 GLU A N 1 ATOM 1702 C CA . GLU A 1 218 ? -39.751 18.988 19.023 1.00 57.60 ? 218 GLU A CA 1 ATOM 1703 C C . GLU A 1 218 ? -38.524 19.623 18.354 1.00 52.87 ? 218 GLU A C 1 ATOM 1704 O O . GLU A 1 218 ? -38.336 20.801 18.518 1.00 54.77 ? 218 GLU A O 1 ATOM 1705 C CB . GLU A 1 218 ? -39.529 18.895 20.529 1.00 57.65 ? 218 GLU A CB 1 ATOM 1706 C CG . GLU A 1 218 ? -40.557 18.033 21.234 1.00 64.37 ? 218 GLU A CG 1 ATOM 1707 C CD . GLU A 1 218 ? -40.457 18.092 22.751 1.00 73.16 ? 218 GLU A CD 1 ATOM 1708 O OE1 . GLU A 1 218 ? -40.851 17.106 23.412 1.00 79.28 ? 218 GLU A OE1 1 ATOM 1709 O OE2 . GLU A 1 218 ? -39.995 19.116 23.304 1.00 80.33 ? 218 GLU A OE2 1 ATOM 1710 N N . ALA A 1 219 ? -37.732 18.880 17.598 1.00 51.79 ? 219 ALA A N 1 ATOM 1711 C CA . ALA A 1 219 ? -36.583 19.455 16.919 1.00 46.09 ? 219 ALA A CA 1 ATOM 1712 C C . ALA A 1 219 ? -36.297 18.812 15.593 1.00 47.17 ? 219 ALA A C 1 ATOM 1713 O O . ALA A 1 219 ? -36.686 17.705 15.380 1.00 44.16 ? 219 ALA A O 1 ATOM 1714 C CB . ALA A 1 219 ? -35.371 19.347 17.790 1.00 51.09 ? 219 ALA A CB 1 ATOM 1715 N N . TRP A 1 220 ? -35.589 19.521 14.727 1.00 46.68 ? 220 TRP A N 1 ATOM 1716 C CA . TRP A 1 220 ? -35.195 19.039 13.426 1.00 49.71 ? 220 TRP A CA 1 ATOM 1717 C C . TRP A 1 220 ? -33.819 19.560 13.091 1.00 51.04 ? 220 TRP A C 1 ATOM 1718 O O . TRP A 1 220 ? -33.400 20.497 13.692 1.00 60.00 ? 220 TRP A O 1 ATOM 1719 C CB . TRP A 1 220 ? -36.229 19.494 12.403 1.00 30.00 ? 220 TRP A CB 1 ATOM 1720 C CG . TRP A 1 220 ? -37.541 19.015 12.790 1.00 30.00 ? 220 TRP A CG 1 ATOM 1721 C CD1 . TRP A 1 220 ? -38.375 19.579 13.671 1.00 30.00 ? 220 TRP A CD1 1 ATOM 1722 C CD2 . TRP A 1 220 ? -38.147 17.796 12.382 1.00 30.00 ? 220 TRP A CD2 1 ATOM 1723 N NE1 . TRP A 1 220 ? -39.492 18.807 13.838 1.00 30.00 ? 220 TRP A NE1 1 ATOM 1724 C CE2 . TRP A 1 220 ? -39.376 17.700 13.046 1.00 30.00 ? 220 TRP A CE2 1 ATOM 1725 C CE3 . TRP A 1 220 ? -37.769 16.774 11.512 1.00 30.00 ? 220 TRP A CE3 1 ATOM 1726 C CZ2 . TRP A 1 220 ? -40.233 16.630 12.865 1.00 30.00 ? 220 TRP A CZ2 1 ATOM 1727 C CZ3 . TRP A 1 220 ? -38.601 15.727 11.334 1.00 30.00 ? 220 TRP A CZ3 1 ATOM 1728 C CH2 . TRP A 1 220 ? -39.834 15.656 11.998 1.00 30.00 ? 220 TRP A CH2 1 ATOM 1729 N N . ASP A 1 221 ? -33.116 18.972 12.142 1.00 51.56 ? 221 ASP A N 1 ATOM 1730 C CA . ASP A 1 221 ? -31.768 19.414 11.756 1.00 55.26 ? 221 ASP A CA 1 ATOM 1731 C C . ASP A 1 221 ? -31.790 19.790 10.254 1.00 52.97 ? 221 ASP A C 1 ATOM 1732 O O . ASP A 1 221 ? -31.602 18.959 9.406 1.00 47.22 ? 221 ASP A O 1 ATOM 1733 C CB . ASP A 1 221 ? -30.757 18.291 12.140 1.00 52.83 ? 221 ASP A CB 1 ATOM 1734 C CG . ASP A 1 221 ? -29.341 18.484 11.577 1.00 53.78 ? 221 ASP A CG 1 ATOM 1735 O OD1 . ASP A 1 221 ? -28.808 19.586 11.650 1.00 49.88 ? 221 ASP A OD1 1 ATOM 1736 O OD2 . ASP A 1 221 ? -28.755 17.513 11.089 1.00 39.47 ? 221 ASP A OD2 1 ATOM 1737 N N . HIS A 1 222 ? -32.012 21.069 9.954 1.00 57.29 ? 222 HIS A N 1 ATOM 1738 C CA . HIS A 1 222 ? -32.207 21.534 8.569 1.00 54.77 ? 222 HIS A CA 1 ATOM 1739 C C . HIS A 1 222 ? -33.237 20.601 7.914 1.00 51.76 ? 222 HIS A C 1 ATOM 1740 O O . HIS A 1 222 ? -32.991 20.059 6.816 1.00 50.49 ? 222 HIS A O 1 ATOM 1741 C CB . HIS A 1 222 ? -30.900 21.520 7.732 1.00 56.83 ? 222 HIS A CB 1 ATOM 1742 C CG . HIS A 1 222 ? -29.828 22.435 8.216 1.00 57.88 ? 222 HIS A CG 1 ATOM 1743 N ND1 . HIS A 1 222 ? -28.598 22.509 7.600 1.00 59.17 ? 222 HIS A ND1 1 ATOM 1744 C CD2 . HIS A 1 222 ? -29.779 23.292 9.265 1.00 63.95 ? 222 HIS A CD2 1 ATOM 1745 C CE1 . HIS A 1 222 ? -27.843 23.385 8.239 1.00 57.33 ? 222 HIS A CE1 1 ATOM 1746 N NE2 . HIS A 1 222 ? -28.534 23.872 9.254 1.00 60.01 ? 222 HIS A NE2 1 ATOM 1747 N N . GLY A 1 223 ? -34.347 20.361 8.618 1.00 47.30 ? 223 GLY A N 1 ATOM 1748 C CA . GLY A 1 223 ? -35.366 19.398 8.167 1.00 51.92 ? 223 GLY A CA 1 ATOM 1749 C C . GLY A 1 223 ? -35.074 17.897 8.355 1.00 55.27 ? 223 GLY A C 1 ATOM 1750 O O . GLY A 1 223 ? -36.006 17.094 8.271 1.00 56.52 ? 223 GLY A O 1 ATOM 1751 N N . LEU A 1 224 ? -33.813 17.494 8.588 1.00 48.73 ? 224 LEU A N 1 ATOM 1752 C CA . LEU A 1 224 ? -33.488 16.063 8.782 1.00 48.57 ? 224 LEU A CA 1 ATOM 1753 C C . LEU A 1 224 ? -33.822 15.648 10.214 1.00 47.85 ? 224 LEU A C 1 ATOM 1754 O O . LEU A 1 224 ? -33.803 16.477 11.123 1.00 50.45 ? 224 LEU A O 1 ATOM 1755 C CB . LEU A 1 224 ? -32.028 15.758 8.394 1.00 48.18 ? 224 LEU A CB 1 ATOM 1756 C CG . LEU A 1 224 ? -31.674 16.035 6.930 1.00 48.20 ? 224 LEU A CG 1 ATOM 1757 C CD1 . LEU A 1 224 ? -30.176 15.935 6.680 1.00 48.15 ? 224 LEU A CD1 1 ATOM 1758 C CD2 . LEU A 1 224 ? -32.426 15.085 5.992 1.00 52.37 ? 224 LEU A CD2 1 ATOM 1759 N N . ALA A 1 225 ? -34.149 14.363 10.408 1.00 45.61 ? 225 ALA A N 1 ATOM 1760 C CA . ALA A 1 225 ? -34.724 13.888 11.673 1.00 44.85 ? 225 ALA A CA 1 ATOM 1761 C C . ALA A 1 225 ? -33.744 13.796 12.842 1.00 46.02 ? 225 ALA A C 1 ATOM 1762 O O . ALA A 1 225 ? -32.518 13.592 12.664 1.00 42.99 ? 225 ALA A O 1 ATOM 1763 C CB . ALA A 1 225 ? -35.368 12.524 11.453 1.00 50.93 ? 225 ALA A CB 1 ATOM 1764 N N . TYR A 1 226 ? -34.295 13.948 14.035 1.00 39.26 ? 226 TYR A N 1 ATOM 1765 C CA . TYR A 1 226 ? -33.572 13.646 15.261 1.00 49.27 ? 226 TYR A CA 1 ATOM 1766 C C . TYR A 1 226 ? -34.216 12.452 15.919 1.00 51.88 ? 226 TYR A C 1 ATOM 1767 O O . TYR A 1 226 ? -35.415 12.205 15.711 1.00 54.07 ? 226 TYR A O 1 ATOM 1768 C CB . TYR A 1 226 ? -33.657 14.779 16.273 1.00 50.28 ? 226 TYR A CB 1 ATOM 1769 C CG . TYR A 1 226 ? -32.739 15.935 15.996 1.00 55.25 ? 226 TYR A CG 1 ATOM 1770 C CD1 . TYR A 1 226 ? -31.411 15.718 15.595 1.00 54.17 ? 226 TYR A CD1 1 ATOM 1771 C CD2 . TYR A 1 226 ? -33.184 17.264 16.149 1.00 51.39 ? 226 TYR A CD2 1 ATOM 1772 C CE1 . TYR A 1 226 ? -30.569 16.777 15.344 1.00 50.29 ? 226 TYR A CE1 1 ATOM 1773 C CE2 . TYR A 1 226 ? -32.333 18.324 15.919 1.00 48.86 ? 226 TYR A CE2 1 ATOM 1774 C CZ . TYR A 1 226 ? -31.036 18.070 15.512 1.00 49.22 ? 226 TYR A CZ 1 ATOM 1775 O OH . TYR A 1 226 ? -30.173 19.071 15.229 1.00 45.94 ? 226 TYR A OH 1 ATOM 1776 N N . LEU A 1 227 ? -33.451 11.727 16.747 1.00 48.20 ? 227 LEU A N 1 ATOM 1777 C CA . LEU A 1 227 ? -34.047 10.637 17.555 1.00 51.13 ? 227 LEU A CA 1 ATOM 1778 C C . LEU A 1 227 ? -35.122 11.231 18.438 1.00 47.30 ? 227 LEU A C 1 ATOM 1779 O O . LEU A 1 227 ? -35.047 12.403 18.738 1.00 51.53 ? 227 LEU A O 1 ATOM 1780 C CB . LEU A 1 227 ? -33.021 9.882 18.434 1.00 47.69 ? 227 LEU A CB 1 ATOM 1781 C CG . LEU A 1 227 ? -32.238 8.744 17.723 1.00 46.34 ? 227 LEU A CG 1 ATOM 1782 C CD1 . LEU A 1 227 ? -31.290 9.215 16.650 1.00 41.44 ? 227 LEU A CD1 1 ATOM 1783 C CD2 . LEU A 1 227 ? -31.429 7.977 18.744 1.00 48.16 ? 227 LEU A CD2 1 ATOM 1784 N N . PRO A 1 228 ? -36.119 10.421 18.863 1.00 49.20 ? 228 PRO A N 1 ATOM 1785 C CA . PRO A 1 228 ? -37.072 10.854 19.888 1.00 45.16 ? 228 PRO A CA 1 ATOM 1786 C C . PRO A 1 228 ? -36.404 11.094 21.211 1.00 46.80 ? 228 PRO A C 1 ATOM 1787 O O . PRO A 1 228 ? -35.299 10.636 21.440 1.00 50.16 ? 228 PRO A O 1 ATOM 1788 C CB . PRO A 1 228 ? -38.028 9.663 20.005 1.00 45.55 ? 228 PRO A CB 1 ATOM 1789 C CG . PRO A 1 228 ? -37.930 8.975 18.706 1.00 43.54 ? 228 PRO A CG 1 ATOM 1790 C CD . PRO A 1 228 ? -36.507 9.116 18.295 1.00 44.86 ? 228 PRO A CD 1 ATOM 1791 N N . PHE A 1 229 ? -37.079 11.801 22.093 1.00 48.72 ? 229 PHE A N 1 ATOM 1792 C CA . PHE A 1 229 ? -36.552 12.056 23.416 1.00 49.35 ? 229 PHE A CA 1 ATOM 1793 C C . PHE A 1 229 ? -36.985 10.984 24.332 1.00 46.98 ? 229 PHE A C 1 ATOM 1794 O O . PHE A 1 229 ? -37.928 10.305 24.029 1.00 47.11 ? 229 PHE A O 1 ATOM 1795 C CB . PHE A 1 229 ? -37.076 13.372 23.995 1.00 58.28 ? 229 PHE A CB 1 ATOM 1796 C CG . PHE A 1 229 ? -36.376 14.589 23.485 1.00 58.20 ? 229 PHE A CG 1 ATOM 1797 C CD1 . PHE A 1 229 ? -35.008 14.733 23.658 1.00 54.55 ? 229 PHE A CD1 1 ATOM 1798 C CD2 . PHE A 1 229 ? -37.091 15.627 22.893 1.00 61.54 ? 229 PHE A CD2 1 ATOM 1799 C CE1 . PHE A 1 229 ? -34.366 15.871 23.225 1.00 56.53 ? 229 PHE A CE1 1 ATOM 1800 C CE2 . PHE A 1 229 ? -36.458 16.775 22.460 1.00 56.74 ? 229 PHE A CE2 1 ATOM 1801 C CZ . PHE A 1 229 ? -35.091 16.894 22.622 1.00 57.90 ? 229 PHE A CZ 1 ATOM 1802 N N . ASN A 1 230 ? -36.293 10.890 25.476 1.00 47.11 ? 230 ASN A N 1 ATOM 1803 C CA . ASN A 1 230 ? -36.631 9.947 26.507 1.00 52.90 ? 230 ASN A CA 1 ATOM 1804 C C . ASN A 1 230 ? -37.349 10.533 27.723 1.00 59.89 ? 230 ASN A C 1 ATOM 1805 O O . ASN A 1 230 ? -36.911 11.527 28.309 1.00 60.14 ? 230 ASN A O 1 ATOM 1806 C CB . ASN A 1 230 ? -35.375 9.205 27.001 1.00 48.82 ? 230 ASN A CB 1 ATOM 1807 C CG . ASN A 1 230 ? -35.710 8.134 28.012 1.00 54.75 ? 230 ASN A CG 1 ATOM 1808 O OD1 . ASN A 1 230 ? -36.860 7.691 28.104 1.00 57.82 ? 230 ASN A OD1 1 ATOM 1809 N ND2 . ASN A 1 230 ? -34.726 7.725 28.791 1.00 56.60 ? 230 ASN A ND2 1 ATOM 1810 N N . ASN A 1 231 ? -38.395 9.810 28.131 1.00 69.70 ? 231 ASN A N 1 ATOM 1811 C CA . ASN A 1 231 ? -39.276 10.115 29.278 1.00 77.03 ? 231 ASN A CA 1 ATOM 1812 C C . ASN A 1 231 ? -38.688 10.065 30.684 1.00 71.03 ? 231 ASN A C 1 ATOM 1813 O O . ASN A 1 231 ? -39.126 10.796 31.551 1.00 72.26 ? 231 ASN A O 1 ATOM 1814 C CB . ASN A 1 231 ? -40.431 9.098 29.300 1.00 80.38 ? 231 ASN A CB 1 ATOM 1815 C CG . ASN A 1 231 ? -41.419 9.300 28.173 1.00 85.28 ? 231 ASN A CG 1 ATOM 1816 O OD1 . ASN A 1 231 ? -41.159 10.041 27.219 1.00 89.23 ? 231 ASN A OD1 1 ATOM 1817 N ND2 . ASN A 1 231 ? -42.570 8.635 28.277 1.00 87.16 ? 231 ASN A ND2 1 ATOM 1818 N N . LYS A 1 232 ? -37.737 9.171 30.920 1.00 76.56 ? 232 LYS A N 1 ATOM 1819 C CA . LYS A 1 232 ? -37.339 8.830 32.287 1.00 74.43 ? 232 LYS A CA 1 ATOM 1820 C C . LYS A 1 232 ? -36.808 10.004 33.100 1.00 71.44 ? 232 LYS A C 1 ATOM 1821 O O . LYS A 1 232 ? -35.760 10.569 32.781 1.00 73.07 ? 232 LYS A O 1 ATOM 1822 C CB . LYS A 1 232 ? -36.314 7.695 32.288 1.00 78.73 ? 232 LYS A CB 1 ATOM 1823 C CG . LYS A 1 232 ? -34.838 8.110 32.253 1.00 81.71 ? 232 LYS A CG 1 ATOM 1824 C CD . LYS A 1 232 ? -33.922 6.906 32.110 1.00 80.24 ? 232 LYS A CD 1 ATOM 1825 C CE . LYS A 1 232 ? -34.395 5.742 32.968 1.00 76.35 ? 232 LYS A CE 1 ATOM 1826 N NZ . LYS A 1 232 ? -33.388 4.661 33.032 1.00 78.80 ? 232 LYS A NZ 1 ATOM 1827 N N . LYS A 1 233 ? -37.531 10.352 34.160 1.00 67.17 ? 233 LYS A N 1 ATOM 1828 C CA . LYS A 1 233 ? -37.138 11.433 35.032 1.00 70.57 ? 233 LYS A CA 1 ATOM 1829 C C . LYS A 1 233 ? -36.681 10.829 36.361 1.00 72.42 ? 233 LYS A C 1 ATOM 1830 O O . LYS A 1 233 ? -37.466 10.177 37.038 1.00 77.88 ? 233 LYS A O 1 ATOM 1831 C CB . LYS A 1 233 ? -38.304 12.411 35.204 1.00 71.74 ? 233 LYS A CB 1 ATOM 1832 C CG . LYS A 1 233 ? -37.889 13.856 34.990 1.00 73.83 ? 233 LYS A CG 1 ATOM 1833 C CD . LYS A 1 233 ? -38.933 14.669 34.242 1.00 75.11 ? 233 LYS A CD 1 ATOM 1834 C CE . LYS A 1 233 ? -38.433 16.094 34.017 1.00 76.84 ? 233 LYS A CE 1 ATOM 1835 N NZ . LYS A 1 233 ? -38.979 16.729 32.784 1.00 75.85 ? 233 LYS A NZ 1 ATOM 1836 N N . PRO A 1 234 ? -35.396 11.023 36.805 1.00 69.06 ? 234 PRO A N 1 ATOM 1837 C CA . PRO A 1 234 ? -34.462 12.066 36.322 1.00 66.28 ? 234 PRO A CA 1 ATOM 1838 C C . PRO A 1 234 ? -33.583 11.694 35.112 1.00 60.59 ? 234 PRO A C 1 ATOM 1839 O O . PRO A 1 234 ? -33.192 10.548 34.997 1.00 56.08 ? 234 PRO A O 1 ATOM 1840 C CB . PRO A 1 234 ? -33.569 12.288 37.555 1.00 67.16 ? 234 PRO A CB 1 ATOM 1841 C CG . PRO A 1 234 ? -33.551 10.958 38.267 1.00 65.80 ? 234 PRO A CG 1 ATOM 1842 C CD . PRO A 1 234 ? -34.749 10.155 37.813 1.00 65.11 ? 234 PRO A CD 1 ATOM 1843 N N . SER A 1 235 ? -33.252 12.685 34.268 1.00 54.73 ? 235 SER A N 1 ATOM 1844 C CA . SER A 1 235 ? -32.468 12.522 33.039 1.00 50.77 ? 235 SER A CA 1 ATOM 1845 C C . SER A 1 235 ? -31.047 13.035 33.271 1.00 49.52 ? 235 SER A C 1 ATOM 1846 O O . SER A 1 235 ? -30.860 14.152 33.791 1.00 46.13 ? 235 SER A O 1 ATOM 1847 C CB . SER A 1 235 ? -33.150 13.282 31.898 1.00 54.33 ? 235 SER A CB 1 ATOM 1848 O OG . SER A 1 235 ? -32.544 13.058 30.647 1.00 57.08 ? 235 SER A OG 1 ATOM 1849 N N . PRO A 1 236 ? -30.022 12.215 32.943 1.00 39.18 ? 236 PRO A N 1 ATOM 1850 C CA . PRO A 1 236 ? -28.660 12.741 33.048 1.00 37.94 ? 236 PRO A CA 1 ATOM 1851 C C . PRO A 1 236 ? -28.366 13.824 32.017 1.00 30.13 ? 236 PRO A C 1 ATOM 1852 O O . PRO A 1 236 ? -27.598 14.738 32.303 1.00 33.66 ? 236 PRO A O 1 ATOM 1853 C CB . PRO A 1 236 ? -27.771 11.486 32.893 1.00 38.61 ? 236 PRO A CB 1 ATOM 1854 C CG . PRO A 1 236 ? -28.563 10.615 32.008 1.00 41.58 ? 236 PRO A CG 1 ATOM 1855 C CD . PRO A 1 236 ? -30.041 10.892 32.298 1.00 41.03 ? 236 PRO A CD 1 ATOM 1856 N N . CYS A 1 237 ? -29.033 13.797 30.886 1.00 31.45 ? 237 CYS A N 1 ATOM 1857 C CA . CYS A 1 237 ? -28.794 14.812 29.867 1.00 31.63 ? 237 CYS A CA 1 ATOM 1858 C C . CYS A 1 237 ? -29.390 16.158 30.265 1.00 40.07 ? 237 CYS A C 1 ATOM 1859 O O . CYS A 1 237 ? -28.858 17.200 29.863 1.00 37.48 ? 237 CYS A O 1 ATOM 1860 C CB . CYS A 1 237 ? -29.333 14.380 28.551 1.00 33.67 ? 237 CYS A CB 1 ATOM 1861 S SG . CYS A 1 237 ? -28.661 12.814 27.911 1.00 32.15 ? 237 CYS A SG 1 ATOM 1862 N N . GLU A 1 238 ? -30.481 16.113 31.043 1.00 37.13 ? 238 GLU A N 1 ATOM 1863 C CA . GLU A 1 238 ? -31.014 17.309 31.704 1.00 36.59 ? 238 GLU A CA 1 ATOM 1864 C C . GLU A 1 238 ? -30.115 17.763 32.795 1.00 32.14 ? 238 GLU A C 1 ATOM 1865 O O . GLU A 1 238 ? -29.869 18.964 32.872 1.00 33.45 ? 238 GLU A O 1 ATOM 1866 C CB . GLU A 1 238 ? -32.426 17.099 32.247 1.00 39.09 ? 238 GLU A CB 1 ATOM 1867 C CG . GLU A 1 238 ? -33.424 17.058 31.129 1.00 43.90 ? 238 GLU A CG 1 ATOM 1868 C CD . GLU A 1 238 ? -34.862 16.797 31.559 1.00 48.79 ? 238 GLU A CD 1 ATOM 1869 O OE1 . GLU A 1 238 ? -35.143 16.665 32.775 1.00 49.69 ? 238 GLU A OE1 1 ATOM 1870 O OE2 . GLU A 1 238 ? -35.707 16.717 30.639 1.00 48.51 ? 238 GLU A OE2 1 ATOM 1871 N N . PHE A 1 239 ? -29.636 16.835 33.654 1.00 34.39 ? 239 PHE A N 1 ATOM 1872 C CA . PHE A 1 239 ? -28.851 17.150 34.835 1.00 33.68 ? 239 PHE A CA 1 ATOM 1873 C C . PHE A 1 239 ? -27.534 17.915 34.565 1.00 38.19 ? 239 PHE A C 1 ATOM 1874 O O . PHE A 1 239 ? -27.073 18.676 35.430 1.00 36.68 ? 239 PHE A O 1 ATOM 1875 C CB . PHE A 1 239 ? -28.554 15.877 35.664 1.00 35.77 ? 239 PHE A CB 1 ATOM 1876 C CG . PHE A 1 239 ? -27.689 16.110 36.905 1.00 34.14 ? 239 PHE A CG 1 ATOM 1877 C CD1 . PHE A 1 239 ? -26.294 16.142 36.820 1.00 36.15 ? 239 PHE A CD1 1 ATOM 1878 C CD2 . PHE A 1 239 ? -28.269 16.217 38.185 1.00 39.03 ? 239 PHE A CD2 1 ATOM 1879 C CE1 . PHE A 1 239 ? -25.503 16.381 37.943 1.00 34.60 ? 239 PHE A CE1 1 ATOM 1880 C CE2 . PHE A 1 239 ? -27.484 16.402 39.317 1.00 33.70 ? 239 PHE A CE2 1 ATOM 1881 C CZ . PHE A 1 239 ? -26.094 16.515 39.191 1.00 38.45 ? 239 PHE A CZ 1 ATOM 1882 N N . ILE A 1 240 ? -26.917 17.693 33.403 1.00 35.23 ? 240 ILE A N 1 ATOM 1883 C CA . ILE A 1 240 ? -25.609 18.323 33.112 1.00 38.55 ? 240 ILE A CA 1 ATOM 1884 C C . ILE A 1 240 ? -25.732 19.751 32.586 1.00 42.55 ? 240 ILE A C 1 ATOM 1885 O O . ILE A 1 240 ? -24.713 20.466 32.503 1.00 38.65 ? 240 ILE A O 1 ATOM 1886 C CB . ILE A 1 240 ? -24.666 17.489 32.185 1.00 34.63 ? 240 ILE A CB 1 ATOM 1887 C CG1 . ILE A 1 240 ? -25.310 17.083 30.853 1.00 39.93 ? 240 ILE A CG1 1 ATOM 1888 C CG2 . ILE A 1 240 ? -24.218 16.230 32.897 1.00 37.60 ? 240 ILE A CG2 1 ATOM 1889 C CD1 . ILE A 1 240 ? -25.238 18.123 29.761 1.00 39.36 ? 240 ILE A CD1 1 ATOM 1890 N N . ASN A 1 241 ? -26.948 20.147 32.212 1.00 41.71 ? 241 ASN A N 1 ATOM 1891 C CA . ASN A 1 241 ? -27.292 21.549 32.063 1.00 42.79 ? 241 ASN A CA 1 ATOM 1892 C C . ASN A 1 241 ? -28.792 21.801 32.387 1.00 41.70 ? 241 ASN A C 1 ATOM 1893 O O . ASN A 1 241 ? -29.610 21.735 31.492 1.00 36.75 ? 241 ASN A O 1 ATOM 1894 C CB . ASN A 1 241 ? -27.028 21.997 30.640 1.00 40.38 ? 241 ASN A CB 1 ATOM 1895 C CG . ASN A 1 241 ? -27.275 23.476 30.456 1.00 45.35 ? 241 ASN A CG 1 ATOM 1896 O OD1 . ASN A 1 241 ? -28.092 24.088 31.148 1.00 44.20 ? 241 ASN A OD1 1 ATOM 1897 N ND2 . ASN A 1 241 ? -26.576 24.047 29.534 1.00 44.87 ? 241 ASN A ND2 1 ATOM 1898 N N . THR A 1 242 ? -29.146 22.118 33.630 1.00 47.45 ? 242 THR A N 1 ATOM 1899 C CA . THR A 1 242 ? -30.603 22.251 33.948 1.00 50.92 ? 242 THR A CA 1 ATOM 1900 C C . THR A 1 242 ? -31.294 23.470 33.314 1.00 50.56 ? 242 THR A C 1 ATOM 1901 O O . THR A 1 242 ? -32.517 23.534 33.248 1.00 54.80 ? 242 THR A O 1 ATOM 1902 C CB . THR A 1 242 ? -30.858 22.240 35.442 1.00 50.12 ? 242 THR A CB 1 ATOM 1903 O OG1 . THR A 1 242 ? -29.990 23.173 36.087 1.00 52.60 ? 242 THR A OG1 1 ATOM 1904 C CG2 . THR A 1 242 ? -30.590 20.840 35.994 1.00 54.49 ? 242 THR A CG2 1 ATOM 1905 N N . THR A 1 243 ? -30.499 24.421 32.848 1.00 45.98 ? 243 THR A N 1 ATOM 1906 C CA . THR A 1 243 ? -30.994 25.576 32.137 1.00 46.19 ? 243 THR A CA 1 ATOM 1907 C C . THR A 1 243 ? -31.579 25.131 30.826 1.00 46.63 ? 243 THR A C 1 ATOM 1908 O O . THR A 1 243 ? -32.754 25.372 30.541 1.00 46.16 ? 243 THR A O 1 ATOM 1909 C CB . THR A 1 243 ? -29.833 26.578 31.898 1.00 45.04 ? 243 THR A CB 1 ATOM 1910 O OG1 . THR A 1 243 ? -29.468 27.137 33.161 1.00 52.22 ? 243 THR A OG1 1 ATOM 1911 C CG2 . THR A 1 243 ? -30.200 27.660 30.930 1.00 43.40 ? 243 THR A CG2 1 ATOM 1912 N N . ALA A 1 244 ? -30.750 24.455 30.034 1.00 39.87 ? 244 ALA A N 1 ATOM 1913 C CA . ALA A 1 244 ? -31.141 24.006 28.730 1.00 38.78 ? 244 ALA A CA 1 ATOM 1914 C C . ALA A 1 244 ? -32.268 22.973 28.833 1.00 37.85 ? 244 ALA A C 1 ATOM 1915 O O . ALA A 1 244 ? -33.118 22.909 27.955 1.00 40.04 ? 244 ALA A O 1 ATOM 1916 C CB . ALA A 1 244 ? -29.938 23.424 27.996 1.00 39.74 ? 244 ALA A CB 1 ATOM 1917 N N . ARG A 1 245 ? -32.261 22.158 29.877 1.00 42.70 ? 245 ARG A N 1 ATOM 1918 C CA . ARG A 1 245 ? -33.300 21.111 30.056 1.00 52.67 ? 245 ARG A CA 1 ATOM 1919 C C . ARG A 1 245 ? -33.576 20.328 28.759 1.00 49.97 ? 245 ARG A C 1 ATOM 1920 O O . ARG A 1 245 ? -34.709 20.273 28.267 1.00 49.59 ? 245 ARG A O 1 ATOM 1921 C CB . ARG A 1 245 ? -34.598 21.727 30.645 1.00 57.13 ? 245 ARG A CB 1 ATOM 1922 C CG . ARG A 1 245 ? -35.514 20.718 31.346 1.00 62.72 ? 245 ARG A CG 1 ATOM 1923 C CD . ARG A 1 245 ? -36.659 21.382 32.104 1.00 63.75 ? 245 ARG A CD 1 ATOM 1924 N NE . ARG A 1 245 ? -36.146 22.348 33.071 1.00 65.63 ? 245 ARG A NE 1 ATOM 1925 C CZ . ARG A 1 245 ? -35.587 22.049 34.252 1.00 67.54 ? 245 ARG A CZ 1 ATOM 1926 N NH1 . ARG A 1 245 ? -35.152 23.042 35.024 1.00 65.91 ? 245 ARG A NH1 1 ATOM 1927 N NH2 . ARG A 1 245 ? -35.468 20.786 34.686 1.00 70.07 ? 245 ARG A NH2 1 ATOM 1928 N N . VAL A 1 246 ? -32.524 19.748 28.170 1.00 51.35 ? 246 VAL A N 1 ATOM 1929 C CA . VAL A 1 246 ? -32.694 18.883 26.987 1.00 45.97 ? 246 VAL A CA 1 ATOM 1930 C C . VAL A 1 246 ? -32.436 17.437 27.429 1.00 49.82 ? 246 VAL A C 1 ATOM 1931 O O . VAL A 1 246 ? -31.390 17.150 28.029 1.00 41.47 ? 246 VAL A O 1 ATOM 1932 C CB . VAL A 1 246 ? -31.791 19.287 25.824 1.00 46.29 ? 246 VAL A CB 1 ATOM 1933 C CG1 . VAL A 1 246 ? -32.169 18.504 24.568 1.00 49.62 ? 246 VAL A CG1 1 ATOM 1934 C CG2 . VAL A 1 246 ? -31.881 20.784 25.557 1.00 42.92 ? 246 VAL A CG2 1 ATOM 1935 N N . PRO A 1 247 ? -33.424 16.534 27.206 1.00 49.73 ? 247 PRO A N 1 ATOM 1936 C CA . PRO A 1 247 ? -33.224 15.174 27.723 1.00 48.07 ? 247 PRO A CA 1 ATOM 1937 C C . PRO A 1 247 ? -32.396 14.327 26.771 1.00 41.85 ? 247 PRO A C 1 ATOM 1938 O O . PRO A 1 247 ? -32.052 14.766 25.648 1.00 40.16 ? 247 PRO A O 1 ATOM 1939 C CB . PRO A 1 247 ? -34.661 14.618 27.865 1.00 46.60 ? 247 PRO A CB 1 ATOM 1940 C CG . PRO A 1 247 ? -35.457 15.388 26.870 1.00 46.74 ? 247 PRO A CG 1 ATOM 1941 C CD . PRO A 1 247 ? -34.811 16.742 26.738 1.00 47.71 ? 247 PRO A CD 1 ATOM 1942 N N . CYS A 1 248 ? -32.099 13.107 27.227 1.00 41.83 ? 248 CYS A N 1 ATOM 1943 C CA . CYS A 1 248 ? -31.461 12.095 26.389 1.00 38.15 ? 248 CYS A CA 1 ATOM 1944 C C . CYS A 1 248 ? -32.370 11.605 25.304 1.00 39.27 ? 248 CYS A C 1 ATOM 1945 O O . CYS A 1 248 ? -33.616 11.745 25.376 1.00 36.66 ? 248 CYS A O 1 ATOM 1946 C CB . CYS A 1 248 ? -30.986 10.923 27.231 1.00 41.65 ? 248 CYS A CB 1 ATOM 1947 S SG . CYS A 1 248 ? -29.983 11.429 28.648 1.00 37.38 ? 248 CYS A SG 1 ATOM 1948 N N . PHE A 1 249 ? -31.733 11.041 24.276 1.00 37.97 ? 249 PHE A N 1 ATOM 1949 C CA . PHE A 1 249 ? -32.445 10.399 23.218 1.00 37.24 ? 249 PHE A CA 1 ATOM 1950 C C . PHE A 1 249 ? -32.940 9.034 23.595 1.00 37.03 ? 249 PHE A C 1 ATOM 1951 O O . PHE A 1 249 ? -32.584 8.495 24.640 1.00 36.14 ? 249 PHE A O 1 ATOM 1952 C CB . PHE A 1 249 ? -31.608 10.355 21.975 1.00 40.32 ? 249 PHE A CB 1 ATOM 1953 C CG . PHE A 1 249 ? -31.340 11.702 21.399 1.00 44.27 ? 249 PHE A CG 1 ATOM 1954 C CD1 . PHE A 1 249 ? -32.395 12.482 20.922 1.00 48.23 ? 249 PHE A CD1 1 ATOM 1955 C CD2 . PHE A 1 249 ? -30.054 12.197 21.297 1.00 42.41 ? 249 PHE A CD2 1 ATOM 1956 C CE1 . PHE A 1 249 ? -32.159 13.719 20.346 1.00 47.33 ? 249 PHE A CE1 1 ATOM 1957 C CE2 . PHE A 1 249 ? -29.814 13.434 20.729 1.00 48.12 ? 249 PHE A CE2 1 ATOM 1958 C CZ . PHE A 1 249 ? -30.869 14.211 20.267 1.00 48.15 ? 249 PHE A CZ 1 ATOM 1959 N N . LEU A 1 250 ? -33.841 8.540 22.750 1.00 39.20 ? 250 LEU A N 1 ATOM 1960 C CA . LEU A 1 250 ? -34.435 7.201 22.873 1.00 43.08 ? 250 LEU A CA 1 ATOM 1961 C C . LEU A 1 250 ? -34.036 6.369 21.681 1.00 38.13 ? 250 LEU A C 1 ATOM 1962 O O . LEU A 1 250 ? -34.503 6.539 20.551 1.00 41.17 ? 250 LEU A O 1 ATOM 1963 C CB . LEU A 1 250 ? -35.951 7.205 23.015 1.00 44.24 ? 250 LEU A CB 1 ATOM 1964 C CG . LEU A 1 250 ? -36.533 5.862 23.488 1.00 49.43 ? 250 LEU A CG 1 ATOM 1965 C CD1 . LEU A 1 250 ? -35.975 5.382 24.823 1.00 48.13 ? 250 LEU A CD1 1 ATOM 1966 C CD2 . LEU A 1 250 ? -38.054 5.979 23.571 1.00 45.34 ? 250 LEU A CD2 1 ATOM 1967 N N . ALA A 1 251 ? -33.140 5.437 21.962 1.00 35.66 ? 251 ALA A N 1 ATOM 1968 C CA . ALA A 1 251 ? -32.659 4.566 20.971 1.00 31.46 ? 251 ALA A CA 1 ATOM 1969 C C . ALA A 1 251 ? -32.906 3.146 21.402 1.00 28.94 ? 251 ALA A C 1 ATOM 1970 O O . ALA A 1 251 ? -33.316 2.857 22.575 1.00 28.35 ? 251 ALA A O 1 ATOM 1971 C CB . ALA A 1 251 ? -31.166 4.819 20.741 1.00 30.37 ? 251 ALA A CB 1 ATOM 1972 N N . GLY A 1 252 ? -32.587 2.266 20.445 1.00 30.18 ? 252 GLY A N 1 ATOM 1973 C CA . GLY A 1 252 ? -32.506 0.814 20.658 1.00 30.62 ? 252 GLY A CA 1 ATOM 1974 C C . GLY A 1 252 ? -31.620 0.350 21.816 1.00 32.87 ? 252 GLY A C 1 ATOM 1975 O O . GLY A 1 252 ? -31.770 -0.758 22.341 1.00 32.56 ? 252 GLY A O 1 ATOM 1976 N N . ASP A 1 253 ? -30.665 1.190 22.161 1.00 29.85 ? 253 ASP A N 1 ATOM 1977 C CA . ASP A 1 253 ? -29.681 0.902 23.168 1.00 30.51 ? 253 ASP A CA 1 ATOM 1978 C C . ASP A 1 253 ? -29.674 2.003 24.144 1.00 29.28 ? 253 ASP A C 1 ATOM 1979 O O . ASP A 1 253 ? -29.652 3.131 23.798 1.00 34.30 ? 253 ASP A O 1 ATOM 1980 C CB . ASP A 1 253 ? -28.306 0.731 22.525 1.00 33.14 ? 253 ASP A CB 1 ATOM 1981 C CG . ASP A 1 253 ? -27.238 0.438 23.532 1.00 28.13 ? 253 ASP A CG 1 ATOM 1982 O OD1 . ASP A 1 253 ? -27.119 -0.694 23.911 1.00 30.04 ? 253 ASP A OD1 1 ATOM 1983 O OD2 . ASP A 1 253 ? -26.586 1.333 23.962 1.00 27.11 ? 253 ASP A OD2 1 ATOM 1984 N N . SER A 1 254 ? -29.709 1.649 25.405 1.00 33.59 ? 254 SER A N 1 ATOM 1985 C CA . SER A 1 254 ? -29.787 2.607 26.476 1.00 37.02 ? 254 SER A CA 1 ATOM 1986 C C . SER A 1 254 ? -28.621 3.552 26.660 1.00 33.93 ? 254 SER A C 1 ATOM 1987 O O . SER A 1 254 ? -28.715 4.489 27.366 1.00 31.97 ? 254 SER A O 1 ATOM 1988 C CB . SER A 1 254 ? -30.156 1.920 27.791 1.00 30.00 ? 254 SER A CB 1 ATOM 1989 O OG . SER A 1 254 ? -29.064 1.426 28.519 1.00 30.00 ? 254 SER A OG 1 ATOM 1990 N N . ARG A 1 255 ? -27.518 3.294 26.018 1.00 28.37 ? 255 ARG A N 1 ATOM 1991 C CA . ARG A 1 255 ? -26.374 4.164 26.191 1.00 27.79 ? 255 ARG A CA 1 ATOM 1992 C C . ARG A 1 255 ? -26.212 5.188 25.120 1.00 26.45 ? 255 ARG A C 1 ATOM 1993 O O . ARG A 1 255 ? -25.233 5.796 25.087 1.00 23.15 ? 255 ARG A O 1 ATOM 1994 C CB . ARG A 1 255 ? -25.095 3.293 26.198 1.00 26.96 ? 255 ARG A CB 1 ATOM 1995 C CG . ARG A 1 255 ? -25.036 2.173 27.207 1.00 24.63 ? 255 ARG A CG 1 ATOM 1996 C CD . ARG A 1 255 ? -24.039 1.077 26.829 1.00 25.58 ? 255 ARG A CD 1 ATOM 1997 N NE . ARG A 1 255 ? -24.550 0.165 25.838 1.00 21.54 ? 255 ARG A NE 1 ATOM 1998 C CZ . ARG A 1 255 ? -24.013 -0.993 25.512 1.00 24.93 ? 255 ARG A CZ 1 ATOM 1999 N NH1 . ARG A 1 255 ? -22.919 -1.395 26.099 1.00 26.23 ? 255 ARG A NH1 1 ATOM 2000 N NH2 . ARG A 1 255 ? -24.573 -1.747 24.608 1.00 23.70 ? 255 ARG A NH2 1 ATOM 2001 N N . ALA A 1 256 ? -27.195 5.373 24.251 1.00 29.72 ? 256 ALA A N 1 ATOM 2002 C CA . ALA A 1 256 ? -26.996 6.206 23.060 1.00 29.65 ? 256 ALA A CA 1 ATOM 2003 C C . ALA A 1 256 ? -26.573 7.669 23.301 1.00 28.99 ? 256 ALA A C 1 ATOM 2004 O O . ALA A 1 256 ? -25.917 8.275 22.460 1.00 30.59 ? 256 ALA A O 1 ATOM 2005 C CB . ALA A 1 256 ? -28.263 6.166 22.209 1.00 35.05 ? 256 ALA A CB 1 ATOM 2006 N N . SER A 1 257 ? -26.946 8.227 24.449 1.00 28.16 ? 257 SER A N 1 ATOM 2007 C CA . SER A 1 257 ? -26.661 9.626 24.785 1.00 31.37 ? 257 SER A CA 1 ATOM 2008 C C . SER A 1 257 ? -25.473 9.817 25.692 1.00 27.24 ? 257 SER A C 1 ATOM 2009 O O . SER A 1 257 ? -25.195 10.940 26.070 1.00 29.96 ? 257 SER A O 1 ATOM 2010 C CB . SER A 1 257 ? -27.935 10.263 25.449 1.00 31.28 ? 257 SER A CB 1 ATOM 2011 O OG . SER A 1 257 ? -29.006 10.115 24.552 1.00 34.63 ? 257 SER A OG 1 ATOM 2012 N N . GLU A 1 258 ? -24.760 8.748 26.023 1.00 26.88 ? 258 GLU A N 1 ATOM 2013 C CA . GLU A 1 258 ? -23.592 8.815 26.893 1.00 24.49 ? 258 GLU A CA 1 ATOM 2014 C C . GLU A 1 258 ? -22.522 9.859 26.496 1.00 23.43 ? 258 GLU A C 1 ATOM 2015 O O . GLU A 1 258 ? -21.956 10.471 27.308 1.00 27.75 ? 258 GLU A O 1 ATOM 2016 C CB . GLU A 1 258 ? -22.941 7.440 27.075 1.00 23.78 ? 258 GLU A CB 1 ATOM 2017 C CG A GLU A 1 258 ? -21.591 6.972 27.630 0.65 30.43 ? 258 GLU A CG 1 ATOM 2018 C CG B GLU A 1 258 ? -22.321 6.422 26.081 0.35 22.87 ? 258 GLU A CG 1 ATOM 2019 C CD A GLU A 1 258 ? -20.353 7.092 26.763 0.65 30.94 ? 258 GLU A CD 1 ATOM 2020 C CD B GLU A 1 258 ? -21.939 5.188 26.875 0.35 21.72 ? 258 GLU A CD 1 ATOM 2021 O OE1 A GLU A 1 258 ? -20.373 6.585 25.622 0.65 26.05 ? 258 GLU A OE1 1 ATOM 2022 O OE1 B GLU A 1 258 ? -22.038 5.226 28.119 0.35 22.99 ? 258 GLU A OE1 1 ATOM 2023 O OE2 A GLU A 1 258 ? -19.359 7.692 27.223 0.65 32.22 ? 258 GLU A OE2 1 ATOM 2024 O OE2 B GLU A 1 258 ? -21.538 4.181 26.254 0.35 23.83 ? 258 GLU A OE2 1 ATOM 2025 N N . GLN A 1 259 ? -22.262 9.997 25.232 1.00 22.84 ? 259 GLN A N 1 ATOM 2026 C CA . GLN A 1 259 ? -21.379 10.975 24.672 1.00 24.29 ? 259 GLN A CA 1 ATOM 2027 C C . GLN A 1 259 ? -21.937 11.376 23.334 1.00 23.98 ? 259 GLN A C 1 ATOM 2028 O O . GLN A 1 259 ? -22.559 10.628 22.656 1.00 27.87 ? 259 GLN A O 1 ATOM 2029 C CB . GLN A 1 259 ? -19.942 10.534 24.731 1.00 24.88 ? 259 GLN A CB 1 ATOM 2030 C CG . GLN A 1 259 ? -19.656 9.325 23.903 1.00 25.07 ? 259 GLN A CG 1 ATOM 2031 C CD . GLN A 1 259 ? -19.264 9.685 22.508 1.00 28.38 ? 259 GLN A CD 1 ATOM 2032 O OE1 . GLN A 1 259 ? -19.330 10.809 22.128 1.00 24.85 ? 259 GLN A OE1 1 ATOM 2033 N NE2 . GLN A 1 259 ? -18.822 8.716 21.766 1.00 27.25 ? 259 GLN A NE2 1 ATOM 2034 N N . ILE A 1 260 ? -21.702 12.603 22.981 1.00 23.85 ? 260 ILE A N 1 ATOM 2035 C CA . ILE A 1 260 ? -22.385 13.294 21.913 1.00 27.49 ? 260 ILE A CA 1 ATOM 2036 C C . ILE A 1 260 ? -22.121 12.695 20.498 1.00 27.64 ? 260 ILE A C 1 ATOM 2037 O O . ILE A 1 260 ? -22.981 12.782 19.585 1.00 25.12 ? 260 ILE A O 1 ATOM 2038 C CB . ILE A 1 260 ? -22.050 14.813 22.014 1.00 26.87 ? 260 ILE A CB 1 ATOM 2039 C CG1 . ILE A 1 260 ? -23.041 15.620 21.168 1.00 30.21 ? 260 ILE A CG1 1 ATOM 2040 C CG2 . ILE A 1 260 ? -20.589 15.127 21.606 1.00 29.08 ? 260 ILE A CG2 1 ATOM 2041 C CD1 . ILE A 1 260 ? -22.798 17.096 21.264 1.00 32.10 ? 260 ILE A CD1 1 ATOM 2042 N N . LEU A 1 261 ? -20.910 12.136 20.292 1.00 24.69 ? 261 LEU A N 1 ATOM 2043 C CA . LEU A 1 261 ? -20.616 11.467 19.043 1.00 24.28 ? 261 LEU A CA 1 ATOM 2044 C C . LEU A 1 261 ? -21.357 10.137 18.880 1.00 27.30 ? 261 LEU A C 1 ATOM 2045 O O . LEU A 1 261 ? -21.641 9.745 17.769 1.00 27.18 ? 261 LEU A O 1 ATOM 2046 C CB . LEU A 1 261 ? -19.119 11.318 18.828 1.00 25.21 ? 261 LEU A CB 1 ATOM 2047 C CG . LEU A 1 261 ? -18.355 12.631 18.757 1.00 22.53 ? 261 LEU A CG 1 ATOM 2048 C CD1 . LEU A 1 261 ? -16.841 12.431 18.714 1.00 23.98 ? 261 LEU A CD1 1 ATOM 2049 C CD2 . LEU A 1 261 ? -18.815 13.456 17.523 1.00 25.71 ? 261 LEU A CD2 1 ATOM 2050 N N . LEU A 1 262 ? -21.656 9.463 19.985 1.00 24.06 ? 262 LEU A N 1 ATOM 2051 C CA . LEU A 1 262 ? -22.431 8.223 19.969 1.00 26.44 ? 262 LEU A CA 1 ATOM 2052 C C . LEU A 1 262 ? -23.854 8.570 19.566 1.00 24.86 ? 262 LEU A C 1 ATOM 2053 O O . LEU A 1 262 ? -24.383 7.944 18.675 1.00 24.59 ? 262 LEU A O 1 ATOM 2054 C CB . LEU A 1 262 ? -22.385 7.550 21.358 1.00 24.68 ? 262 LEU A CB 1 ATOM 2055 C CG . LEU A 1 262 ? -23.222 6.281 21.574 1.00 24.73 ? 262 LEU A CG 1 ATOM 2056 C CD1 . LEU A 1 262 ? -22.808 5.246 20.580 1.00 24.50 ? 262 LEU A CD1 1 ATOM 2057 C CD2 . LEU A 1 262 ? -23.088 5.720 22.961 1.00 26.16 ? 262 LEU A CD2 1 ATOM 2058 N N . ALA A 1 263 ? -24.397 9.631 20.154 1.00 24.16 ? 263 ALA A N 1 ATOM 2059 C CA . ALA A 1 263 ? -25.760 10.083 19.841 1.00 28.94 ? 263 ALA A CA 1 ATOM 2060 C C . ALA A 1 263 ? -25.812 10.549 18.398 1.00 31.30 ? 263 ALA A C 1 ATOM 2061 O O . ALA A 1 263 ? -26.778 10.243 17.682 1.00 32.48 ? 263 ALA A O 1 ATOM 2062 C CB . ALA A 1 263 ? -26.185 11.138 20.830 1.00 30.23 ? 263 ALA A CB 1 ATOM 2063 N N . THR A 1 264 ? -24.718 11.178 17.929 1.00 29.50 ? 264 THR A N 1 ATOM 2064 C CA . THR A 1 264 ? -24.562 11.557 16.542 1.00 29.67 ? 264 THR A CA 1 ATOM 2065 C C . THR A 1 264 ? -24.650 10.360 15.612 1.00 33.76 ? 264 THR A C 1 ATOM 2066 O O . THR A 1 264 ? -25.444 10.329 14.683 1.00 32.10 ? 264 THR A O 1 ATOM 2067 C CB . THR A 1 264 ? -23.249 12.316 16.296 1.00 30.17 ? 264 THR A CB 1 ATOM 2068 O OG1 . THR A 1 264 ? -23.320 13.560 16.981 1.00 34.00 ? 264 THR A OG1 1 ATOM 2069 C CG2 . THR A 1 264 ? -23.029 12.633 14.860 1.00 31.44 ? 264 THR A CG2 1 ATOM 2070 N N . ALA A 1 265 ? -23.860 9.349 15.887 1.00 30.70 ? 265 ALA A N 1 ATOM 2071 C CA . ALA A 1 265 ? -23.901 8.115 15.067 1.00 27.78 ? 265 ALA A CA 1 ATOM 2072 C C . ALA A 1 265 ? -25.253 7.456 15.096 1.00 25.52 ? 265 ALA A C 1 ATOM 2073 O O . ALA A 1 265 ? -25.735 6.968 14.073 1.00 27.24 ? 265 ALA A O 1 ATOM 2074 C CB . ALA A 1 265 ? -22.848 7.144 15.589 1.00 26.09 ? 265 ALA A CB 1 ATOM 2075 N N . HIS A 1 266 ? -25.854 7.375 16.267 1.00 26.24 ? 266 HIS A N 1 ATOM 2076 C CA . HIS A 1 266 ? -27.172 6.836 16.370 1.00 28.42 ? 266 HIS A CA 1 ATOM 2077 C C . HIS A 1 266 ? -28.131 7.638 15.417 1.00 32.55 ? 266 HIS A C 1 ATOM 2078 O O . HIS A 1 266 ? -28.965 7.062 14.712 1.00 31.71 ? 266 HIS A O 1 ATOM 2079 C CB . HIS A 1 266 ? -27.670 6.865 17.804 1.00 30.80 ? 266 HIS A CB 1 ATOM 2080 C CG . HIS A 1 266 ? -27.355 5.631 18.611 1.00 31.44 ? 266 HIS A CG 1 ATOM 2081 N ND1 . HIS A 1 266 ? -28.140 4.504 18.578 1.00 28.33 ? 266 HIS A ND1 1 ATOM 2082 C CD2 . HIS A 1 266 ? -26.375 5.378 19.523 1.00 29.51 ? 266 HIS A CD2 1 ATOM 2083 C CE1 . HIS A 1 266 ? -27.662 3.607 19.435 1.00 32.95 ? 266 HIS A CE1 1 ATOM 2084 N NE2 . HIS A 1 266 ? -26.584 4.111 20.021 1.00 29.09 ? 266 HIS A NE2 1 ATOM 2085 N N . THR A 1 267 ? -27.994 8.959 15.389 1.00 32.65 ? 267 THR A N 1 ATOM 2086 C CA . THR A 1 267 ? -28.811 9.793 14.494 1.00 32.71 ? 267 THR A CA 1 ATOM 2087 C C . THR A 1 267 ? -28.677 9.477 13.008 1.00 33.80 ? 267 THR A C 1 ATOM 2088 O O . THR A 1 267 ? -29.699 9.348 12.307 1.00 37.38 ? 267 THR A O 1 ATOM 2089 C CB . THR A 1 267 ? -28.572 11.283 14.785 1.00 34.75 ? 267 THR A CB 1 ATOM 2090 O OG1 . THR A 1 267 ? -28.804 11.478 16.170 1.00 30.03 ? 267 THR A OG1 1 ATOM 2091 C CG2 . THR A 1 267 ? -29.576 12.174 13.950 1.00 34.87 ? 267 THR A CG2 1 ATOM 2092 N N . LEU A 1 268 ? -27.453 9.287 12.535 1.00 31.43 ? 268 LEU A N 1 ATOM 2093 C CA . LEU A 1 268 ? -27.236 8.835 11.178 1.00 33.53 ? 268 LEU A CA 1 ATOM 2094 C C . LEU A 1 268 ? -27.916 7.523 10.866 1.00 40.14 ? 268 LEU A C 1 ATOM 2095 O O . LEU A 1 268 ? -28.449 7.344 9.712 1.00 36.17 ? 268 LEU A O 1 ATOM 2096 C CB . LEU A 1 268 ? -25.791 8.734 10.831 1.00 32.90 ? 268 LEU A CB 1 ATOM 2097 C CG . LEU A 1 268 ? -25.072 10.056 10.761 1.00 38.74 ? 268 LEU A CG 1 ATOM 2098 C CD1 . LEU A 1 268 ? -23.589 9.830 10.918 1.00 36.69 ? 268 LEU A CD1 1 ATOM 2099 C CD2 . LEU A 1 268 ? -25.365 10.751 9.431 1.00 40.85 ? 268 LEU A CD2 1 ATOM 2100 N N . LEU A 1 269 ? -27.955 6.626 11.871 1.00 35.57 ? 269 LEU A N 1 ATOM 2101 C CA . LEU A 1 269 ? -28.488 5.301 11.646 1.00 38.01 ? 269 LEU A CA 1 ATOM 2102 C C . LEU A 1 269 ? -30.005 5.313 11.576 1.00 35.21 ? 269 LEU A C 1 ATOM 2103 O O . LEU A 1 269 ? -30.571 4.642 10.718 1.00 39.35 ? 269 LEU A O 1 ATOM 2104 C CB . LEU A 1 269 ? -27.970 4.262 12.677 1.00 34.87 ? 269 LEU A CB 1 ATOM 2105 C CG . LEU A 1 269 ? -26.457 3.948 12.604 1.00 29.85 ? 269 LEU A CG 1 ATOM 2106 C CD1 . LEU A 1 269 ? -26.125 3.030 13.792 1.00 31.15 ? 269 LEU A CD1 1 ATOM 2107 C CD2 . LEU A 1 269 ? -26.016 3.289 11.306 1.00 32.74 ? 269 LEU A CD2 1 ATOM 2108 N N . LEU A 1 270 ? -30.666 5.980 12.501 1.00 38.28 ? 270 LEU A N 1 ATOM 2109 C CA . LEU A 1 270 ? -32.113 6.103 12.420 1.00 44.21 ? 270 LEU A CA 1 ATOM 2110 C C . LEU A 1 270 ? -32.596 6.761 11.089 1.00 44.82 ? 270 LEU A C 1 ATOM 2111 O O . LEU A 1 270 ? -33.657 6.446 10.576 1.00 46.83 ? 270 LEU A O 1 ATOM 2112 C CB . LEU A 1 270 ? -32.587 6.897 13.606 1.00 42.32 ? 270 LEU A CB 1 ATOM 2113 C CG . LEU A 1 270 ? -34.067 7.151 13.798 1.00 49.69 ? 270 LEU A CG 1 ATOM 2114 C CD1 . LEU A 1 270 ? -34.733 6.152 14.722 1.00 50.02 ? 270 LEU A CD1 1 ATOM 2115 C CD2 . LEU A 1 270 ? -34.238 8.527 14.406 1.00 51.34 ? 270 LEU A CD2 1 ATOM 2116 N N . ARG A 1 271 ? -31.795 7.663 10.549 1.00 45.90 ? 271 ARG A N 1 ATOM 2117 C CA . ARG A 1 271 ? -32.143 8.379 9.325 1.00 47.96 ? 271 ARG A CA 1 ATOM 2118 C C . ARG A 1 271 ? -31.985 7.491 8.072 1.00 50.81 ? 271 ARG A C 1 ATOM 2119 O O . ARG A 1 271 ? -32.840 7.520 7.154 1.00 44.35 ? 271 ARG A O 1 ATOM 2120 C CB . ARG A 1 271 ? -31.275 9.647 9.187 1.00 48.52 ? 271 ARG A CB 1 ATOM 2121 C CG . ARG A 1 271 ? -31.578 10.773 10.182 1.00 42.80 ? 271 ARG A CG 1 ATOM 2122 C CD . ARG A 1 271 ? -30.729 12.006 9.871 1.00 41.54 ? 271 ARG A CD 1 ATOM 2123 N NE . ARG A 1 271 ? -30.791 13.035 10.908 1.00 40.79 ? 271 ARG A NE 1 ATOM 2124 C CZ . ARG A 1 271 ? -30.019 14.122 10.932 1.00 33.56 ? 271 ARG A CZ 1 ATOM 2125 N NH1 . ARG A 1 271 ? -29.107 14.364 9.984 1.00 38.46 ? 271 ARG A NH1 1 ATOM 2126 N NH2 . ARG A 1 271 ? -30.137 14.945 11.926 1.00 33.83 ? 271 ARG A NH2 1 ATOM 2127 N N . GLU A 1 272 ? -30.916 6.694 8.028 1.00 42.17 ? 272 GLU A N 1 ATOM 2128 C CA . GLU A 1 272 ? -30.685 5.804 6.901 1.00 43.16 ? 272 GLU A CA 1 ATOM 2129 C C . GLU A 1 272 ? -31.839 4.856 6.843 1.00 46.97 ? 272 GLU A C 1 ATOM 2130 O O . GLU A 1 272 ? -32.253 4.428 5.755 1.00 40.95 ? 272 GLU A O 1 ATOM 2131 C CB . GLU A 1 272 ? -29.406 5.014 7.054 1.00 45.43 ? 272 GLU A CB 1 ATOM 2132 C CG . GLU A 1 272 ? -29.186 3.938 5.999 1.00 43.37 ? 272 GLU A CG 1 ATOM 2133 C CD . GLU A 1 272 ? -29.128 4.448 4.565 1.00 44.61 ? 272 GLU A CD 1 ATOM 2134 O OE1 . GLU A 1 272 ? -28.928 5.665 4.329 1.00 36.67 ? 272 GLU A OE1 1 ATOM 2135 O OE2 . GLU A 1 272 ? -29.178 3.583 3.652 1.00 41.92 ? 272 GLU A OE2 1 ATOM 2136 N N . HIS A 1 273 ? -32.365 4.533 8.015 1.00 46.30 ? 273 HIS A N 1 ATOM 2137 C CA . HIS A 1 273 ? -33.491 3.653 8.068 1.00 42.29 ? 273 HIS A CA 1 ATOM 2138 C C . HIS A 1 273 ? -34.628 4.219 7.238 1.00 40.17 ? 273 HIS A C 1 ATOM 2139 O O . HIS A 1 273 ? -35.215 3.525 6.385 1.00 44.87 ? 273 HIS A O 1 ATOM 2140 C CB . HIS A 1 273 ? -33.952 3.460 9.498 1.00 40.27 ? 273 HIS A CB 1 ATOM 2141 C CG . HIS A 1 273 ? -35.183 2.616 9.610 1.00 51.60 ? 273 HIS A CG 1 ATOM 2142 N ND1 . HIS A 1 273 ? -35.176 1.249 9.422 1.00 51.99 ? 273 HIS A ND1 1 ATOM 2143 C CD2 . HIS A 1 273 ? -36.472 2.956 9.835 1.00 56.03 ? 273 HIS A CD2 1 ATOM 2144 C CE1 . HIS A 1 273 ? -36.402 0.781 9.581 1.00 59.18 ? 273 HIS A CE1 1 ATOM 2145 N NE2 . HIS A 1 273 ? -37.205 1.797 9.846 1.00 59.05 ? 273 HIS A NE2 1 ATOM 2146 N N . ASN A 1 274 ? -34.975 5.456 7.544 1.00 43.04 ? 274 ASN A N 1 ATOM 2147 C CA . ASN A 1 274 ? -36.140 6.098 6.929 1.00 41.11 ? 274 ASN A CA 1 ATOM 2148 C C . ASN A 1 274 ? -35.824 6.385 5.486 1.00 41.73 ? 274 ASN A C 1 ATOM 2149 O O . ASN A 1 274 ? -36.632 6.075 4.583 1.00 45.00 ? 274 ASN A O 1 ATOM 2150 C CB . ASN A 1 274 ? -36.529 7.299 7.712 1.00 41.59 ? 274 ASN A CB 1 ATOM 2151 C CG . ASN A 1 274 ? -36.982 6.938 9.088 1.00 41.72 ? 274 ASN A CG 1 ATOM 2152 O OD1 . ASN A 1 274 ? -37.154 5.778 9.400 1.00 45.23 ? 274 ASN A OD1 1 ATOM 2153 N ND2 . ASN A 1 274 ? -37.174 7.914 9.910 1.00 40.54 ? 274 ASN A ND2 1 ATOM 2154 N N . ARG A 1 275 ? -34.628 6.880 5.224 1.00 38.05 ? 275 ARG A N 1 ATOM 2155 C CA . ARG A 1 275 ? -34.188 6.985 3.832 1.00 42.44 ? 275 ARG A CA 1 ATOM 2156 C C . ARG A 1 275 ? -34.472 5.673 3.093 1.00 45.19 ? 275 ARG A C 1 ATOM 2157 O O . ARG A 1 275 ? -35.066 5.714 2.019 1.00 52.69 ? 275 ARG A O 1 ATOM 2158 C CB . ARG A 1 275 ? -32.706 7.352 3.702 1.00 44.56 ? 275 ARG A CB 1 ATOM 2159 C CG . ARG A 1 275 ? -32.347 7.754 2.297 1.00 50.19 ? 275 ARG A CG 1 ATOM 2160 C CD . ARG A 1 275 ? -30.849 7.833 2.130 1.00 51.25 ? 275 ARG A CD 1 ATOM 2161 N NE . ARG A 1 275 ? -30.228 6.516 2.081 1.00 52.20 ? 275 ARG A NE 1 ATOM 2162 C CZ . ARG A 1 275 ? -30.024 5.800 0.976 1.00 52.60 ? 275 ARG A CZ 1 ATOM 2163 N NH1 . ARG A 1 275 ? -30.388 6.228 -0.233 1.00 52.74 ? 275 ARG A NH1 1 ATOM 2164 N NH2 . ARG A 1 275 ? -29.451 4.620 1.068 1.00 50.31 ? 275 ARG A NH2 1 ATOM 2165 N N . LEU A 1 276 ? -34.105 4.516 3.667 1.00 41.72 ? 276 LEU A N 1 ATOM 2166 C CA . LEU A 1 276 ? -34.400 3.201 3.034 1.00 43.39 ? 276 LEU A CA 1 ATOM 2167 C C . LEU A 1 276 ? -35.892 2.859 2.958 1.00 43.24 ? 276 LEU A C 1 ATOM 2168 O O . LEU A 1 276 ? -36.358 2.412 1.913 1.00 48.77 ? 276 LEU A O 1 ATOM 2169 C CB . LEU A 1 276 ? -33.671 2.022 3.722 1.00 41.42 ? 276 LEU A CB 1 ATOM 2170 C CG . LEU A 1 276 ? -32.153 1.971 3.611 1.00 43.88 ? 276 LEU A CG 1 ATOM 2171 C CD1 . LEU A 1 276 ? -31.626 0.974 4.637 1.00 49.01 ? 276 LEU A CD1 1 ATOM 2172 C CD2 . LEU A 1 276 ? -31.631 1.630 2.211 1.00 46.08 ? 276 LEU A CD2 1 ATOM 2173 N N . ALA A 1 277 ? -36.619 3.057 4.052 1.00 37.33 ? 277 ALA A N 1 ATOM 2174 C CA . ALA A 1 277 ? -38.000 2.670 4.158 1.00 38.50 ? 277 ALA A CA 1 ATOM 2175 C C . ALA A 1 277 ? -38.835 3.426 3.102 1.00 47.77 ? 277 ALA A C 1 ATOM 2176 O O . ALA A 1 277 ? -39.535 2.828 2.257 1.00 51.16 ? 277 ALA A O 1 ATOM 2177 C CB . ALA A 1 277 ? -38.498 2.991 5.559 1.00 38.68 ? 277 ALA A CB 1 ATOM 2178 N N . ARG A 1 278 ? -38.735 4.743 3.139 1.00 48.44 ? 278 ARG A N 1 ATOM 2179 C CA . ARG A 1 278 ? -39.400 5.577 2.125 1.00 56.74 ? 278 ARG A CA 1 ATOM 2180 C C . ARG A 1 278 ? -38.976 5.233 0.677 1.00 58.11 ? 278 ARG A C 1 ATOM 2181 O O . ARG A 1 278 ? -39.819 5.141 -0.211 1.00 64.81 ? 278 ARG A O 1 ATOM 2182 C CB . ARG A 1 278 ? -39.173 7.046 2.450 1.00 53.79 ? 278 ARG A CB 1 ATOM 2183 C CG . ARG A 1 278 ? -39.986 7.481 3.671 1.00 57.14 ? 278 ARG A CG 1 ATOM 2184 C CD . ARG A 1 278 ? -39.994 8.989 3.820 1.00 62.47 ? 278 ARG A CD 1 ATOM 2185 N NE . ARG A 1 278 ? -38.719 9.453 4.363 1.00 67.63 ? 278 ARG A NE 1 ATOM 2186 C CZ . ARG A 1 278 ? -38.474 9.750 5.646 1.00 62.63 ? 278 ARG A CZ 1 ATOM 2187 N NH1 . ARG A 1 278 ? -39.425 9.675 6.584 1.00 66.82 ? 278 ARG A NH1 1 ATOM 2188 N NH2 . ARG A 1 278 ? -37.252 10.149 5.992 1.00 57.63 ? 278 ARG A NH2 1 ATOM 2189 N N . GLU A 1 279 ? -37.681 5.025 0.463 1.00 54.68 ? 279 GLU A N 1 ATOM 2190 C CA . GLU A 1 279 ? -37.147 4.565 -0.827 1.00 62.67 ? 279 GLU A CA 1 ATOM 2191 C C . GLU A 1 279 ? -37.785 3.243 -1.279 1.00 71.93 ? 279 GLU A C 1 ATOM 2192 O O . GLU A 1 279 ? -38.112 3.081 -2.463 1.00 75.51 ? 279 GLU A O 1 ATOM 2193 C CB . GLU A 1 279 ? -35.621 4.394 -0.724 1.00 65.54 ? 279 GLU A CB 1 ATOM 2194 C CG . GLU A 1 279 ? -34.831 4.628 -1.979 1.00 67.91 ? 279 GLU A CG 1 ATOM 2195 C CD . GLU A 1 279 ? -34.893 6.050 -2.477 1.00 76.89 ? 279 GLU A CD 1 ATOM 2196 O OE1 . GLU A 1 279 ? -35.631 6.894 -1.913 1.00 78.70 ? 279 GLU A OE1 1 ATOM 2197 O OE2 . GLU A 1 279 ? -34.181 6.323 -3.456 1.00 84.75 ? 279 GLU A OE2 1 ATOM 2198 N N . LEU A 1 280 ? -37.941 2.311 -0.323 1.00 80.89 ? 280 LEU A N 1 ATOM 2199 C CA . LEU A 1 280 ? -38.679 1.035 -0.503 1.00 77.09 ? 280 LEU A CA 1 ATOM 2200 C C . LEU A 1 280 ? -40.165 1.225 -0.800 1.00 71.27 ? 280 LEU A C 1 ATOM 2201 O O . LEU A 1 280 ? -40.727 0.460 -1.580 1.00 81.70 ? 280 LEU A O 1 ATOM 2202 C CB . LEU A 1 280 ? -38.560 0.105 0.734 1.00 67.88 ? 280 LEU A CB 1 ATOM 2203 C CG . LEU A 1 280 ? -37.211 -0.510 1.113 1.00 66.20 ? 280 LEU A CG 1 ATOM 2204 C CD1 . LEU A 1 280 ? -37.442 -1.487 2.257 1.00 66.68 ? 280 LEU A CD1 1 ATOM 2205 C CD2 . LEU A 1 280 ? -36.504 -1.167 -0.065 1.00 62.35 ? 280 LEU A CD2 1 ATOM 2206 N N . LYS A 1 281 ? -40.812 2.188 -0.149 1.00 69.43 ? 281 LYS A N 1 ATOM 2207 C CA . LYS A 1 281 ? -42.228 2.433 -0.415 1.00 67.85 ? 281 LYS A CA 1 ATOM 2208 C C . LYS A 1 281 ? -42.378 2.883 -1.883 1.00 66.13 ? 281 LYS A C 1 ATOM 2209 O O . LYS A 1 281 ? -43.038 2.204 -2.682 1.00 49.47 ? 281 LYS A O 1 ATOM 2210 C CB . LYS A 1 281 ? -42.814 3.468 0.545 1.00 65.86 ? 281 LYS A CB 1 ATOM 2211 C CG . LYS A 1 281 ? -44.269 3.248 0.902 1.00 67.00 ? 281 LYS A CG 1 ATOM 2212 C CD . LYS A 1 281 ? -45.143 2.859 -0.262 1.00 65.36 ? 281 LYS A CD 1 ATOM 2213 C CE . LYS A 1 281 ? -46.559 2.476 0.138 1.00 68.30 ? 281 LYS A CE 1 ATOM 2214 N NZ . LYS A 1 281 ? -47.204 3.299 1.188 1.00 71.40 ? 281 LYS A NZ 1 ATOM 2215 N N . LYS A 1 282 ? -41.693 3.981 -2.226 1.00 65.27 ? 282 LYS A N 1 ATOM 2216 C CA . LYS A 1 282 ? -41.524 4.443 -3.626 1.00 70.48 ? 282 LYS A CA 1 ATOM 2217 C C . LYS A 1 282 ? -41.392 3.309 -4.675 1.00 69.38 ? 282 LYS A C 1 ATOM 2218 O O . LYS A 1 282 ? -42.131 3.305 -5.664 1.00 73.65 ? 282 LYS A O 1 ATOM 2219 C CB . LYS A 1 282 ? -40.311 5.398 -3.755 1.00 70.17 ? 282 LYS A CB 1 ATOM 2220 C CG . LYS A 1 282 ? -40.536 6.812 -3.215 1.00 73.55 ? 282 LYS A CG 1 ATOM 2221 C CD . LYS A 1 282 ? -39.498 7.804 -3.730 1.00 76.88 ? 282 LYS A CD 1 ATOM 2222 C CE . LYS A 1 282 ? -39.753 8.178 -5.190 1.00 77.06 ? 282 LYS A CE 1 ATOM 2223 N NZ . LYS A 1 282 ? -38.637 8.978 -5.763 1.00 78.74 ? 282 LYS A NZ 1 ATOM 2224 N N . LEU A 1 283 ? -40.466 2.366 -4.456 1.00 63.22 ? 283 LEU A N 1 ATOM 2225 C CA . LEU A 1 283 ? -40.245 1.230 -5.376 1.00 61.01 ? 283 LEU A CA 1 ATOM 2226 C C . LEU A 1 283 ? -41.207 0.047 -5.160 1.00 61.41 ? 283 LEU A C 1 ATOM 2227 O O . LEU A 1 283 ? -41.336 -0.784 -6.052 1.00 60.57 ? 283 LEU A O 1 ATOM 2228 C CB . LEU A 1 283 ? -38.799 0.725 -5.302 1.00 62.49 ? 283 LEU A CB 1 ATOM 2229 C CG . LEU A 1 283 ? -38.132 0.063 -6.527 1.00 65.31 ? 283 LEU A CG 1 ATOM 2230 C CD1 . LEU A 1 283 ? -37.954 1.044 -7.697 1.00 62.43 ? 283 LEU A CD1 1 ATOM 2231 C CD2 . LEU A 1 283 ? -36.779 -0.549 -6.122 1.00 67.72 ? 283 LEU A CD2 1 ATOM 2232 N N . ASN A 1 284 ? -41.857 -0.047 -3.994 1.00 64.89 ? 284 ASN A N 1 ATOM 2233 C CA . ASN A 1 284 ? -42.850 -1.108 -3.722 1.00 64.24 ? 284 ASN A CA 1 ATOM 2234 C C . ASN A 1 284 ? -44.026 -0.531 -2.918 1.00 61.96 ? 284 ASN A C 1 ATOM 2235 O O . ASN A 1 284 ? -44.133 -0.739 -1.717 1.00 52.19 ? 284 ASN A O 1 ATOM 2236 C CB . ASN A 1 284 ? -42.187 -2.313 -3.008 1.00 65.89 ? 284 ASN A CB 1 ATOM 2237 C CG . ASN A 1 284 ? -41.078 -2.980 -3.850 1.00 68.91 ? 284 ASN A CG 1 ATOM 2238 O OD1 . ASN A 1 284 ? -41.249 -3.230 -5.039 1.00 64.32 ? 284 ASN A OD1 1 ATOM 2239 N ND2 . ASN A 1 284 ? -39.942 -3.295 -3.224 1.00 69.24 ? 284 ASN A ND2 1 ATOM 2240 N N . PRO A 1 285 ? -44.945 0.198 -3.593 1.00 71.93 ? 285 PRO A N 1 ATOM 2241 C CA . PRO A 1 285 ? -46.080 0.848 -2.873 1.00 67.62 ? 285 PRO A CA 1 ATOM 2242 C C . PRO A 1 285 ? -47.103 -0.063 -2.188 1.00 57.61 ? 285 PRO A C 1 ATOM 2243 O O . PRO A 1 285 ? -47.932 0.388 -1.407 1.00 50.61 ? 285 PRO A O 1 ATOM 2244 C CB . PRO A 1 285 ? -46.750 1.697 -3.961 1.00 66.67 ? 285 PRO A CB 1 ATOM 2245 C CG . PRO A 1 285 ? -45.653 1.965 -4.940 1.00 69.31 ? 285 PRO A CG 1 ATOM 2246 C CD . PRO A 1 285 ? -44.863 0.682 -4.987 1.00 70.62 ? 285 PRO A CD 1 ATOM 2247 N N . HIS A 1 286 ? -46.993 -1.347 -2.460 1.00 61.20 ? 286 HIS A N 1 ATOM 2248 C CA . HIS A 1 286 ? -47.984 -2.331 -2.071 1.00 62.55 ? 286 HIS A CA 1 ATOM 2249 C C . HIS A 1 286 ? -47.711 -2.749 -0.635 1.00 69.93 ? 286 HIS A C 1 ATOM 2250 O O . HIS A 1 286 ? -48.660 -2.813 0.163 1.00 61.00 ? 286 HIS A O 1 ATOM 2251 C CB . HIS A 1 286 ? -48.035 -3.539 -3.027 1.00 65.66 ? 286 HIS A CB 1 ATOM 2252 C CG . HIS A 1 286 ? -46.751 -3.843 -3.743 1.00 67.02 ? 286 HIS A CG 1 ATOM 2253 N ND1 . HIS A 1 286 ? -46.161 -2.980 -4.647 1.00 67.43 ? 286 HIS A ND1 1 ATOM 2254 C CD2 . HIS A 1 286 ? -45.974 -4.951 -3.729 1.00 73.69 ? 286 HIS A CD2 1 ATOM 2255 C CE1 . HIS A 1 286 ? -45.065 -3.532 -5.137 1.00 64.90 ? 286 HIS A CE1 1 ATOM 2256 N NE2 . HIS A 1 286 ? -44.933 -4.733 -4.602 1.00 69.35 ? 286 HIS A NE2 1 ATOM 2257 N N . TRP A 1 287 ? -46.415 -2.955 -0.316 1.00 66.89 ? 287 TRP A N 1 ATOM 2258 C CA . TRP A 1 287 ? -45.932 -3.366 1.029 1.00 65.34 ? 287 TRP A CA 1 ATOM 2259 C C . TRP A 1 287 ? -46.427 -2.504 2.191 1.00 54.35 ? 287 TRP A C 1 ATOM 2260 O O . TRP A 1 287 ? -46.263 -1.299 2.127 1.00 57.14 ? 287 TRP A O 1 ATOM 2261 C CB . TRP A 1 287 ? -44.397 -3.374 1.047 1.00 68.85 ? 287 TRP A CB 1 ATOM 2262 C CG . TRP A 1 287 ? -43.792 -4.513 0.329 1.00 77.02 ? 287 TRP A CG 1 ATOM 2263 C CD1 . TRP A 1 287 ? -44.420 -5.667 -0.097 1.00 77.27 ? 287 TRP A CD1 1 ATOM 2264 C CD2 . TRP A 1 287 ? -42.413 -4.660 -0.010 1.00 77.53 ? 287 TRP A CD2 1 ATOM 2265 N NE1 . TRP A 1 287 ? -43.512 -6.498 -0.703 1.00 81.33 ? 287 TRP A NE1 1 ATOM 2266 C CE2 . TRP A 1 287 ? -42.272 -5.910 -0.662 1.00 78.52 ? 287 TRP A CE2 1 ATOM 2267 C CE3 . TRP A 1 287 ? -41.281 -3.862 0.171 1.00 72.19 ? 287 TRP A CE3 1 ATOM 2268 C CZ2 . TRP A 1 287 ? -41.038 -6.375 -1.140 1.00 74.36 ? 287 TRP A CZ2 1 ATOM 2269 C CZ3 . TRP A 1 287 ? -40.058 -4.326 -0.304 1.00 74.16 ? 287 TRP A CZ3 1 ATOM 2270 C CH2 . TRP A 1 287 ? -39.949 -5.574 -0.959 1.00 71.08 ? 287 TRP A CH2 1 ATOM 2271 N N . ASN A 1 288 ? -47.041 -3.119 3.218 1.00 50.32 ? 288 ASN A N 1 ATOM 2272 C CA . ASN A 1 288 ? -47.470 -2.413 4.472 1.00 54.18 ? 288 ASN A CA 1 ATOM 2273 C C . ASN A 1 288 ? -46.246 -2.014 5.348 1.00 59.85 ? 288 ASN A C 1 ATOM 2274 O O . ASN A 1 288 ? -45.084 -2.167 4.910 1.00 48.81 ? 288 ASN A O 1 ATOM 2275 C CB . ASN A 1 288 ? -48.486 -3.253 5.311 1.00 55.27 ? 288 ASN A CB 1 ATOM 2276 C CG . ASN A 1 288 ? -47.838 -4.417 6.086 1.00 64.26 ? 288 ASN A CG 1 ATOM 2277 O OD1 . ASN A 1 288 ? -46.897 -5.067 5.590 1.00 60.75 ? 288 ASN A OD1 1 ATOM 2278 N ND2 . ASN A 1 288 ? -48.364 -4.704 7.303 1.00 62.47 ? 288 ASN A ND2 1 ATOM 2279 N N . GLY A 1 289 ? -46.511 -1.519 6.565 1.00 62.00 ? 289 GLY A N 1 ATOM 2280 C CA . GLY A 1 289 ? -45.466 -0.967 7.414 1.00 67.45 ? 289 GLY A CA 1 ATOM 2281 C C . GLY A 1 289 ? -44.419 -2.016 7.708 1.00 69.19 ? 289 GLY A C 1 ATOM 2282 O O . GLY A 1 289 ? -43.245 -1.863 7.338 1.00 61.61 ? 289 GLY A O 1 ATOM 2283 N N . GLU A 1 290 ? -44.886 -3.091 8.335 1.00 67.30 ? 290 GLU A N 1 ATOM 2284 C CA . GLU A 1 290 ? -44.092 -4.273 8.598 1.00 58.92 ? 290 GLU A CA 1 ATOM 2285 C C . GLU A 1 290 ? -43.065 -4.583 7.521 1.00 62.13 ? 290 GLU A C 1 ATOM 2286 O O . GLU A 1 290 ? -41.865 -4.577 7.765 1.00 59.09 ? 290 GLU A O 1 ATOM 2287 C CB . GLU A 1 290 ? -44.987 -5.476 8.710 1.00 55.43 ? 290 GLU A CB 1 ATOM 2288 C CG . GLU A 1 290 ? -44.432 -6.492 9.652 1.00 65.27 ? 290 GLU A CG 1 ATOM 2289 C CD . GLU A 1 290 ? -44.512 -5.995 11.078 1.00 72.74 ? 290 GLU A CD 1 ATOM 2290 O OE1 . GLU A 1 290 ? -45.582 -5.423 11.449 1.00 63.66 ? 290 GLU A OE1 1 ATOM 2291 O OE2 . GLU A 1 290 ? -43.492 -6.165 11.793 1.00 71.34 ? 290 GLU A OE2 1 ATOM 2292 N N . LYS A 1 291 ? -43.537 -4.862 6.324 1.00 58.01 ? 291 LYS A N 1 ATOM 2293 C CA . LYS A 1 291 ? -42.652 -5.353 5.268 1.00 60.99 ? 291 LYS A CA 1 ATOM 2294 C C . LYS A 1 291 ? -41.526 -4.339 4.980 1.00 58.95 ? 291 LYS A C 1 ATOM 2295 O O . LYS A 1 291 ? -40.359 -4.722 4.742 1.00 56.11 ? 291 LYS A O 1 ATOM 2296 C CB . LYS A 1 291 ? -43.471 -5.663 4.008 1.00 56.67 ? 291 LYS A CB 1 ATOM 2297 C CG . LYS A 1 291 ? -42.702 -6.334 2.877 1.00 54.04 ? 291 LYS A CG 1 ATOM 2298 C CD . LYS A 1 291 ? -42.243 -7.754 3.175 1.00 46.36 ? 291 LYS A CD 1 ATOM 2299 C CE . LYS A 1 291 ? -41.406 -8.271 2.000 1.00 41.43 ? 291 LYS A CE 1 ATOM 2300 N NZ . LYS A 1 291 ? -40.967 -9.681 2.135 1.00 37.50 ? 291 LYS A NZ 1 ATOM 2301 N N . LEU A 1 292 ? -41.905 -3.061 5.018 1.00 58.07 ? 292 LEU A N 1 ATOM 2302 C CA . LEU A 1 292 ? -40.991 -1.944 4.856 1.00 62.57 ? 292 LEU A CA 1 ATOM 2303 C C . LEU A 1 292 ? -40.042 -1.800 6.064 1.00 55.93 ? 292 LEU A C 1 ATOM 2304 O O . LEU A 1 292 ? -38.858 -1.650 5.852 1.00 54.77 ? 292 LEU A O 1 ATOM 2305 C CB . LEU A 1 292 ? -41.753 -0.634 4.632 1.00 67.19 ? 292 LEU A CB 1 ATOM 2306 C CG . LEU A 1 292 ? -42.486 -0.500 3.296 1.00 67.10 ? 292 LEU A CG 1 ATOM 2307 C CD1 . LEU A 1 292 ? -43.596 0.528 3.431 1.00 62.60 ? 292 LEU A CD1 1 ATOM 2308 C CD2 . LEU A 1 292 ? -41.510 -0.140 2.168 1.00 66.68 ? 292 LEU A CD2 1 ATOM 2309 N N . TYR A 1 293 ? -40.574 -1.846 7.287 1.00 48.12 ? 293 TYR A N 1 ATOM 2310 C CA . TYR A 1 293 ? -39.771 -1.880 8.505 1.00 54.44 ? 293 TYR A CA 1 ATOM 2311 C C . TYR A 1 293 ? -38.731 -3.000 8.472 1.00 56.21 ? 293 TYR A C 1 ATOM 2312 O O . TYR A 1 293 ? -37.534 -2.766 8.671 1.00 53.22 ? 293 TYR A O 1 ATOM 2313 C CB . TYR A 1 293 ? -40.658 -2.074 9.733 1.00 53.68 ? 293 TYR A CB 1 ATOM 2314 C CG . TYR A 1 293 ? -39.892 -2.306 11.042 1.00 56.49 ? 293 TYR A CG 1 ATOM 2315 C CD1 . TYR A 1 293 ? -39.376 -1.236 11.772 1.00 58.97 ? 293 TYR A CD1 1 ATOM 2316 C CD2 . TYR A 1 293 ? -39.724 -3.600 11.582 1.00 58.51 ? 293 TYR A CD2 1 ATOM 2317 C CE1 . TYR A 1 293 ? -38.713 -1.432 12.992 1.00 58.27 ? 293 TYR A CE1 1 ATOM 2318 C CE2 . TYR A 1 293 ? -39.066 -3.811 12.803 1.00 54.53 ? 293 TYR A CE2 1 ATOM 2319 C CZ . TYR A 1 293 ? -38.544 -2.723 13.510 1.00 60.56 ? 293 TYR A CZ 1 ATOM 2320 O OH . TYR A 1 293 ? -37.886 -2.873 14.733 1.00 52.70 ? 293 TYR A OH 1 ATOM 2321 N N . GLN A 1 294 ? -39.194 -4.214 8.209 1.00 49.34 ? 294 GLN A N 1 ATOM 2322 C CA . GLN A 1 294 ? -38.324 -5.349 8.263 1.00 46.00 ? 294 GLN A CA 1 ATOM 2323 C C . GLN A 1 294 ? -37.319 -5.268 7.125 1.00 53.75 ? 294 GLN A C 1 ATOM 2324 O O . GLN A 1 294 ? -36.135 -5.544 7.319 1.00 45.62 ? 294 GLN A O 1 ATOM 2325 C CB . GLN A 1 294 ? -39.139 -6.661 8.259 1.00 46.38 ? 294 GLN A CB 1 ATOM 2326 C CG . GLN A 1 294 ? -40.050 -6.872 9.501 1.00 39.07 ? 294 GLN A CG 1 ATOM 2327 C CD . GLN A 1 294 ? -39.292 -7.076 10.803 1.00 42.92 ? 294 GLN A CD 1 ATOM 2328 O OE1 . GLN A 1 294 ? -38.066 -7.164 10.819 1.00 45.14 ? 294 GLN A OE1 1 ATOM 2329 N NE2 . GLN A 1 294 ? -40.022 -7.145 11.909 1.00 45.97 ? 294 GLN A NE2 1 ATOM 2330 N N . GLU A 1 295 ? -37.751 -4.844 5.939 1.00 43.15 ? 295 GLU A N 1 ATOM 2331 C CA . GLU A 1 295 ? -36.811 -4.833 4.827 1.00 47.68 ? 295 GLU A CA 1 ATOM 2332 C C . GLU A 1 295 ? -35.754 -3.722 5.029 1.00 43.80 ? 295 GLU A C 1 ATOM 2333 O O . GLU A 1 295 ? -34.606 -3.877 4.591 1.00 43.65 ? 295 GLU A O 1 ATOM 2334 C CB . GLU A 1 295 ? -37.535 -4.769 3.463 1.00 43.81 ? 295 GLU A CB 1 ATOM 2335 C CG . GLU A 1 295 ? -38.169 -6.104 3.059 1.00 37.74 ? 295 GLU A CG 1 ATOM 2336 C CD . GLU A 1 295 ? -37.257 -7.046 2.314 1.00 36.63 ? 295 GLU A CD 1 ATOM 2337 O OE1 . GLU A 1 295 ? -37.447 -8.276 2.397 1.00 40.28 ? 295 GLU A OE1 1 ATOM 2338 O OE2 . GLU A 1 295 ? -36.335 -6.595 1.597 1.00 41.01 ? 295 GLU A OE2 1 ATOM 2339 N N . ALA A 1 296 ? -36.166 -2.621 5.663 1.00 42.14 ? 296 ALA A N 1 ATOM 2340 C CA . ALA A 1 296 ? -35.278 -1.486 5.943 1.00 45.18 ? 296 ALA A CA 1 ATOM 2341 C C . ALA A 1 296 ? -34.233 -1.906 7.013 1.00 41.86 ? 296 ALA A C 1 ATOM 2342 O O . ALA A 1 296 ? -33.020 -1.864 6.750 1.00 44.16 ? 296 ALA A O 1 ATOM 2343 C CB . ALA A 1 296 ? -36.081 -0.286 6.420 1.00 44.67 ? 296 ALA A CB 1 ATOM 2344 N N . ARG A 1 297 ? -34.755 -2.321 8.165 1.00 40.37 ? 297 ARG A N 1 ATOM 2345 C CA . ARG A 1 297 ? -34.011 -3.026 9.234 1.00 45.99 ? 297 ARG A CA 1 ATOM 2346 C C . ARG A 1 297 ? -32.968 -4.012 8.754 1.00 47.11 ? 297 ARG A C 1 ATOM 2347 O O . ARG A 1 297 ? -31.794 -3.940 9.180 1.00 43.44 ? 297 ARG A O 1 ATOM 2348 C CB . ARG A 1 297 ? -34.995 -3.717 10.170 1.00 45.42 ? 297 ARG A CB 1 ATOM 2349 C CG . ARG A 1 297 ? -34.339 -4.577 11.245 1.00 48.97 ? 297 ARG A CG 1 ATOM 2350 C CD . ARG A 1 297 ? -35.238 -4.758 12.457 1.00 43.85 ? 297 ARG A CD 1 ATOM 2351 N NE . ARG A 1 297 ? -34.630 -5.639 13.480 1.00 43.15 ? 297 ARG A NE 1 ATOM 2352 C CZ . ARG A 1 297 ? -34.861 -6.954 13.657 1.00 45.19 ? 297 ARG A CZ 1 ATOM 2353 N NH1 . ARG A 1 297 ? -35.730 -7.612 12.888 1.00 43.23 ? 297 ARG A NH1 1 ATOM 2354 N NH2 . ARG A 1 297 ? -34.217 -7.635 14.632 1.00 39.70 ? 297 ARG A NH2 1 ATOM 2355 N N . LYS A 1 298 ? -33.374 -4.874 7.816 1.00 40.01 ? 298 LYS A N 1 ATOM 2356 C CA . LYS A 1 298 ? -32.537 -5.944 7.326 1.00 40.07 ? 298 LYS A CA 1 ATOM 2357 C C . LYS A 1 298 ? -31.409 -5.365 6.474 1.00 42.61 ? 298 LYS A C 1 ATOM 2358 O O . LYS A 1 298 ? -30.264 -5.843 6.500 1.00 38.20 ? 298 LYS A O 1 ATOM 2359 C CB . LYS A 1 298 ? -33.422 -6.946 6.539 1.00 44.28 ? 298 LYS A CB 1 ATOM 2360 C CG . LYS A 1 298 ? -32.754 -8.241 6.162 1.00 43.87 ? 298 LYS A CG 1 ATOM 2361 C CD . LYS A 1 298 ? -33.670 -9.123 5.275 1.00 45.50 ? 298 LYS A CD 1 ATOM 2362 C CE . LYS A 1 298 ? -32.825 -9.996 4.354 1.00 45.62 ? 298 LYS A CE 1 ATOM 2363 N NZ . LYS A 1 298 ? -33.498 -11.222 3.824 1.00 48.04 ? 298 LYS A NZ 1 ATOM 2364 N N . ILE A 1 299 ? -31.692 -4.306 5.710 1.00 39.50 ? 299 ILE A N 1 ATOM 2365 C CA . ILE A 1 299 ? -30.630 -3.735 4.902 1.00 36.36 ? 299 ILE A CA 1 ATOM 2366 C C . ILE A 1 299 ? -29.587 -3.045 5.824 1.00 32.26 ? 299 ILE A C 1 ATOM 2367 O O . ILE A 1 299 ? -28.375 -3.045 5.512 1.00 32.59 ? 299 ILE A O 1 ATOM 2368 C CB . ILE A 1 299 ? -31.165 -2.722 3.849 1.00 37.50 ? 299 ILE A CB 1 ATOM 2369 C CG1 . ILE A 1 299 ? -31.998 -3.444 2.755 1.00 45.13 ? 299 ILE A CG1 1 ATOM 2370 C CG2 . ILE A 1 299 ? -29.985 -2.053 3.146 1.00 42.95 ? 299 ILE A CG2 1 ATOM 2371 C CD1 . ILE A 1 299 ? -32.745 -2.500 1.808 1.00 43.39 ? 299 ILE A CD1 1 ATOM 2372 N N . LEU A 1 300 ? -30.117 -2.443 6.880 1.00 32.07 ? 300 LEU A N 1 ATOM 2373 C CA . LEU A 1 300 ? -29.351 -1.663 7.841 1.00 36.41 ? 300 LEU A CA 1 ATOM 2374 C C . LEU A 1 300 ? -28.447 -2.615 8.647 1.00 32.68 ? 300 LEU A C 1 ATOM 2375 O O . LEU A 1 300 ? -27.226 -2.394 8.775 1.00 37.11 ? 300 LEU A O 1 ATOM 2376 C CB . LEU A 1 300 ? -30.296 -0.833 8.746 1.00 33.96 ? 300 LEU A CB 1 ATOM 2377 C CG . LEU A 1 300 ? -29.544 0.172 9.682 1.00 32.16 ? 300 LEU A CG 1 ATOM 2378 C CD1 . LEU A 1 300 ? -28.527 1.053 8.957 1.00 34.34 ? 300 LEU A CD1 1 ATOM 2379 C CD2 . LEU A 1 300 ? -30.466 1.017 10.480 1.00 33.99 ? 300 LEU A CD2 1 ATOM 2380 N N . GLY A 1 301 ? -29.043 -3.706 9.109 1.00 37.81 ? 301 GLY A N 1 ATOM 2381 C CA . GLY A 1 301 ? -28.298 -4.848 9.644 1.00 33.45 ? 301 GLY A CA 1 ATOM 2382 C C . GLY A 1 301 ? -27.150 -5.209 8.739 1.00 36.55 ? 301 GLY A C 1 ATOM 2383 O O . GLY A 1 301 ? -26.047 -5.383 9.218 1.00 30.63 ? 301 GLY A O 1 ATOM 2384 N N . ALA A 1 302 ? -27.400 -5.288 7.411 1.00 32.85 ? 302 ALA A N 1 ATOM 2385 C CA . ALA A 1 302 ? -26.382 -5.593 6.455 1.00 34.33 ? 302 ALA A CA 1 ATOM 2386 C C . ALA A 1 302 ? -25.374 -4.503 6.352 1.00 34.44 ? 302 ALA A C 1 ATOM 2387 O O . ALA A 1 302 ? -24.199 -4.793 6.133 1.00 34.34 ? 302 ALA A O 1 ATOM 2388 C CB . ALA A 1 302 ? -26.965 -5.873 5.055 1.00 41.70 ? 302 ALA A CB 1 ATOM 2389 N N . PHE A 1 303 ? -25.838 -3.249 6.443 1.00 34.88 ? 303 PHE A N 1 ATOM 2390 C CA . PHE A 1 303 ? -24.921 -2.084 6.432 1.00 35.63 ? 303 PHE A CA 1 ATOM 2391 C C . PHE A 1 303 ? -23.883 -2.223 7.592 1.00 28.49 ? 303 PHE A C 1 ATOM 2392 O O . PHE A 1 303 ? -22.673 -2.164 7.389 1.00 29.22 ? 303 PHE A O 1 ATOM 2393 C CB . PHE A 1 303 ? -25.734 -0.782 6.575 1.00 39.43 ? 303 PHE A CB 1 ATOM 2394 C CG . PHE A 1 303 ? -24.887 0.442 6.717 1.00 41.39 ? 303 PHE A CG 1 ATOM 2395 C CD1 . PHE A 1 303 ? -24.493 1.128 5.607 1.00 41.09 ? 303 PHE A CD1 1 ATOM 2396 C CD2 . PHE A 1 303 ? -24.468 0.895 7.971 1.00 40.62 ? 303 PHE A CD2 1 ATOM 2397 C CE1 . PHE A 1 303 ? -23.692 2.243 5.715 1.00 41.76 ? 303 PHE A CE1 1 ATOM 2398 C CE2 . PHE A 1 303 ? -23.672 1.996 8.089 1.00 33.95 ? 303 PHE A CE2 1 ATOM 2399 C CZ . PHE A 1 303 ? -23.283 2.678 6.971 1.00 38.36 ? 303 PHE A CZ 1 ATOM 2400 N N . ILE A 1 304 ? -24.383 -2.482 8.767 1.00 29.56 ? 304 ILE A N 1 ATOM 2401 C CA . ILE A 1 304 ? -23.524 -2.569 9.980 1.00 32.24 ? 304 ILE A CA 1 ATOM 2402 C C . ILE A 1 304 ? -22.518 -3.657 9.779 1.00 29.84 ? 304 ILE A C 1 ATOM 2403 O O . ILE A 1 304 ? -21.351 -3.464 9.987 1.00 29.98 ? 304 ILE A O 1 ATOM 2404 C CB . ILE A 1 304 ? -24.344 -2.760 11.246 1.00 32.15 ? 304 ILE A CB 1 ATOM 2405 C CG1 . ILE A 1 304 ? -25.208 -1.531 11.371 1.00 34.98 ? 304 ILE A CG1 1 ATOM 2406 C CG2 . ILE A 1 304 ? -23.444 -2.964 12.490 1.00 31.04 ? 304 ILE A CG2 1 ATOM 2407 C CD1 . ILE A 1 304 ? -26.098 -1.537 12.580 1.00 44.90 ? 304 ILE A CD1 1 ATOM 2408 N N . GLN A 1 305 ? -22.990 -4.791 9.278 1.00 29.77 ? 305 GLN A N 1 ATOM 2409 C CA . GLN A 1 305 ? -22.145 -5.901 9.079 1.00 26.64 ? 305 GLN A CA 1 ATOM 2410 C C . GLN A 1 305 ? -21.098 -5.600 8.111 1.00 28.18 ? 305 GLN A C 1 ATOM 2411 O O . GLN A 1 305 ? -19.976 -5.947 8.337 1.00 25.89 ? 305 GLN A O 1 ATOM 2412 C CB . GLN A 1 305 ? -22.958 -7.131 8.624 1.00 27.38 ? 305 GLN A CB 1 ATOM 2413 C CG . GLN A 1 305 ? -23.863 -7.635 9.710 1.00 26.76 ? 305 GLN A CG 1 ATOM 2414 C CD . GLN A 1 305 ? -24.562 -8.948 9.356 1.00 30.96 ? 305 GLN A CD 1 ATOM 2415 O OE1 . GLN A 1 305 ? -24.466 -9.437 8.202 1.00 32.95 ? 305 GLN A OE1 1 ATOM 2416 N NE2 . GLN A 1 305 ? -25.195 -9.568 10.362 1.00 30.91 ? 305 GLN A NE2 1 ATOM 2417 N N . ILE A 1 306 ? -21.462 -4.983 6.973 1.00 32.62 ? 306 ILE A N 1 ATOM 2418 C CA . ILE A 1 306 ? -20.512 -4.808 5.906 1.00 30.15 ? 306 ILE A CA 1 ATOM 2419 C C . ILE A 1 306 ? -19.443 -3.830 6.278 1.00 27.75 ? 306 ILE A C 1 ATOM 2420 O O . ILE A 1 306 ? -18.241 -4.065 6.071 1.00 34.55 ? 306 ILE A O 1 ATOM 2421 C CB . ILE A 1 306 ? -21.201 -4.381 4.576 1.00 33.50 ? 306 ILE A CB 1 ATOM 2422 C CG1 . ILE A 1 306 ? -21.923 -5.607 3.979 1.00 40.32 ? 306 ILE A CG1 1 ATOM 2423 C CG2 . ILE A 1 306 ? -20.159 -3.881 3.566 1.00 33.07 ? 306 ILE A CG2 1 ATOM 2424 C CD1 . ILE A 1 306 ? -23.213 -5.291 3.234 1.00 46.50 ? 306 ILE A CD1 1 ATOM 2425 N N . ILE A 1 307 ? -19.854 -2.688 6.793 1.00 29.56 ? 307 ILE A N 1 ATOM 2426 C CA . ILE A 1 307 ? -18.805 -1.697 7.166 1.00 29.48 ? 307 ILE A CA 1 ATOM 2427 C C . ILE A 1 307 ? -17.919 -2.261 8.245 1.00 27.33 ? 307 ILE A C 1 ATOM 2428 O O . ILE A 1 307 ? -16.698 -2.054 8.211 1.00 25.98 ? 307 ILE A O 1 ATOM 2429 C CB . ILE A 1 307 ? -19.439 -0.386 7.588 1.00 34.59 ? 307 ILE A CB 1 ATOM 2430 C CG1 . ILE A 1 307 ? -19.779 0.322 6.292 1.00 39.95 ? 307 ILE A CG1 1 ATOM 2431 C CG2 . ILE A 1 307 ? -18.527 0.541 8.399 1.00 33.74 ? 307 ILE A CG2 1 ATOM 2432 C CD1 . ILE A 1 307 ? -21.116 0.861 6.378 1.00 40.22 ? 307 ILE A CD1 1 ATOM 2433 N N . THR A 1 308 ? -18.525 -3.026 9.153 1.00 26.22 ? 308 THR A N 1 ATOM 2434 C CA . THR A 1 308 ? -17.734 -3.587 10.236 1.00 25.00 ? 308 THR A CA 1 ATOM 2435 C C . THR A 1 308 ? -16.723 -4.553 9.676 1.00 25.33 ? 308 THR A C 1 ATOM 2436 O O . THR A 1 308 ? -15.531 -4.484 10.022 1.00 26.83 ? 308 THR A O 1 ATOM 2437 C CB . THR A 1 308 ? -18.617 -4.267 11.318 1.00 23.72 ? 308 THR A CB 1 ATOM 2438 O OG1 . THR A 1 308 ? -19.498 -3.324 11.912 1.00 22.51 ? 308 THR A OG1 1 ATOM 2439 C CG2 . THR A 1 308 ? -17.769 -4.814 12.424 1.00 24.37 ? 308 THR A CG2 1 ATOM 2440 N N . PHE A 1 309 ? -17.157 -5.478 8.803 1.00 27.43 ? 309 PHE A N 1 ATOM 2441 C CA . PHE A 1 309 ? -16.255 -6.552 8.396 1.00 25.38 ? 309 PHE A CA 1 ATOM 2442 C C . PHE A 1 309 ? -15.352 -6.175 7.264 1.00 25.93 ? 309 PHE A C 1 ATOM 2443 O O . PHE A 1 309 ? -14.249 -6.707 7.168 1.00 25.58 ? 309 PHE A O 1 ATOM 2444 C CB . PHE A 1 309 ? -17.039 -7.855 8.148 1.00 27.13 ? 309 PHE A CB 1 ATOM 2445 C CG . PHE A 1 309 ? -17.264 -8.668 9.422 1.00 26.98 ? 309 PHE A CG 1 ATOM 2446 C CD1 . PHE A 1 309 ? -18.115 -8.203 10.399 1.00 27.33 ? 309 PHE A CD1 1 ATOM 2447 C CD2 . PHE A 1 309 ? -16.574 -9.853 9.652 1.00 25.01 ? 309 PHE A CD2 1 ATOM 2448 C CE1 . PHE A 1 309 ? -18.295 -8.905 11.564 1.00 27.49 ? 309 PHE A CE1 1 ATOM 2449 C CE2 . PHE A 1 309 ? -16.754 -10.577 10.820 1.00 23.93 ? 309 PHE A CE2 1 ATOM 2450 C CZ . PHE A 1 309 ? -17.620 -10.105 11.777 1.00 28.15 ? 309 PHE A CZ 1 ATOM 2451 N N . ARG A 1 310 ? -15.813 -5.322 6.351 1.00 32.83 ? 310 ARG A N 1 ATOM 2452 C CA . ARG A 1 310 ? -14.975 -4.909 5.191 1.00 34.01 ? 310 ARG A CA 1 ATOM 2453 C C . ARG A 1 310 ? -14.081 -3.736 5.503 1.00 29.53 ? 310 ARG A C 1 ATOM 2454 O O . ARG A 1 310 ? -12.883 -3.748 5.166 1.00 30.83 ? 310 ARG A O 1 ATOM 2455 C CB . ARG A 1 310 ? -15.865 -4.555 3.988 1.00 41.93 ? 310 ARG A CB 1 ATOM 2456 C CG . ARG A 1 310 ? -15.084 -4.181 2.720 1.00 40.64 ? 310 ARG A CG 1 ATOM 2457 C CD . ARG A 1 310 ? -16.004 -3.555 1.709 1.00 39.23 ? 310 ARG A CD 1 ATOM 2458 N NE . ARG A 1 310 ? -16.420 -2.234 2.177 1.00 43.53 ? 310 ARG A NE 1 ATOM 2459 C CZ . ARG A 1 310 ? -17.572 -1.644 1.887 1.00 37.84 ? 310 ARG A CZ 1 ATOM 2460 N NH1 . ARG A 1 310 ? -18.442 -2.205 1.059 1.00 41.97 ? 310 ARG A NH1 1 ATOM 2461 N NH2 . ARG A 1 310 ? -17.838 -0.472 2.411 1.00 34.55 ? 310 ARG A NH2 1 ATOM 2462 N N . ASP A 1 311 ? -14.639 -2.740 6.184 1.00 27.88 ? 311 ASP A N 1 ATOM 2463 C CA . ASP A 1 311 ? -13.865 -1.512 6.541 1.00 30.00 ? 311 ASP A CA 1 ATOM 2464 C C . ASP A 1 311 ? -13.215 -1.446 7.914 1.00 26.36 ? 311 ASP A C 1 ATOM 2465 O O . ASP A 1 311 ? -12.066 -1.058 8.038 1.00 28.03 ? 311 ASP A O 1 ATOM 2466 C CB . ASP A 1 311 ? -14.772 -0.319 6.324 1.00 28.49 ? 311 ASP A CB 1 ATOM 2467 C CG . ASP A 1 311 ? -15.272 -0.251 4.899 1.00 33.22 ? 311 ASP A CG 1 ATOM 2468 O OD1 . ASP A 1 311 ? -14.502 -0.717 3.988 1.00 36.16 ? 311 ASP A OD1 1 ATOM 2469 O OD2 . ASP A 1 311 ? -16.397 0.250 4.726 1.00 29.92 ? 311 ASP A OD2 1 ATOM 2470 N N . TYR A 1 312 ? -13.912 -1.894 8.945 1.00 28.78 ? 312 TYR A N 1 ATOM 2471 C CA . TYR A 1 312 ? -13.397 -1.722 10.312 1.00 25.57 ? 312 TYR A CA 1 ATOM 2472 C C . TYR A 1 312 ? -12.423 -2.769 10.757 1.00 23.75 ? 312 TYR A C 1 ATOM 2473 O O . TYR A 1 312 ? -11.244 -2.435 11.117 1.00 27.91 ? 312 TYR A O 1 ATOM 2474 C CB . TYR A 1 312 ? -14.579 -1.642 11.263 1.00 25.91 ? 312 TYR A CB 1 ATOM 2475 C CG . TYR A 1 312 ? -14.192 -1.419 12.707 1.00 23.91 ? 312 TYR A CG 1 ATOM 2476 C CD1 . TYR A 1 312 ? -13.718 -0.199 13.129 1.00 24.93 ? 312 TYR A CD1 1 ATOM 2477 C CD2 . TYR A 1 312 ? -14.346 -2.434 13.659 1.00 25.74 ? 312 TYR A CD2 1 ATOM 2478 C CE1 . TYR A 1 312 ? -13.384 0.008 14.479 1.00 23.38 ? 312 TYR A CE1 1 ATOM 2479 C CE2 . TYR A 1 312 ? -14.006 -2.247 14.993 1.00 24.12 ? 312 TYR A CE2 1 ATOM 2480 C CZ . TYR A 1 312 ? -13.507 -1.029 15.388 1.00 21.78 ? 312 TYR A CZ 1 ATOM 2481 O OH . TYR A 1 312 ? -13.157 -0.900 16.688 1.00 19.48 ? 312 TYR A OH 1 ATOM 2482 N N . LEU A 1 313 ? -12.839 -4.045 10.756 1.00 22.82 ? 313 LEU A N 1 ATOM 2483 C CA . LEU A 1 313 ? -12.008 -5.088 11.345 1.00 22.66 ? 313 LEU A CA 1 ATOM 2484 C C . LEU A 1 313 ? -10.611 -5.172 10.709 1.00 22.48 ? 313 LEU A C 1 ATOM 2485 O O . LEU A 1 313 ? -9.621 -5.324 11.448 1.00 20.67 ? 313 LEU A O 1 ATOM 2486 C CB . LEU A 1 313 ? -12.750 -6.452 11.340 1.00 22.79 ? 313 LEU A CB 1 ATOM 2487 C CG . LEU A 1 313 ? -14.007 -6.490 12.245 1.00 22.15 ? 313 LEU A CG 1 ATOM 2488 C CD1 . LEU A 1 313 ? -14.621 -7.862 12.139 1.00 23.35 ? 313 LEU A CD1 1 ATOM 2489 C CD2 . LEU A 1 313 ? -13.638 -6.162 13.695 1.00 20.64 ? 313 LEU A CD2 1 ATOM 2490 N N . PRO A 1 314 ? -10.499 -4.994 9.365 1.00 23.62 ? 314 PRO A N 1 ATOM 2491 C CA . PRO A 1 314 ? -9.150 -5.117 8.803 1.00 25.79 ? 314 PRO A CA 1 ATOM 2492 C C . PRO A 1 314 ? -8.125 -4.154 9.320 1.00 25.97 ? 314 PRO A C 1 ATOM 2493 O O . PRO A 1 314 ? -6.931 -4.465 9.333 1.00 26.52 ? 314 PRO A O 1 ATOM 2494 C CB . PRO A 1 314 ? -9.368 -4.891 7.284 1.00 28.83 ? 314 PRO A CB 1 ATOM 2495 C CG . PRO A 1 314 ? -10.722 -5.380 7.054 1.00 27.58 ? 314 PRO A CG 1 ATOM 2496 C CD . PRO A 1 314 ? -11.509 -4.976 8.294 1.00 26.18 ? 314 PRO A CD 1 ATOM 2497 N N . ILE A 1 315 ? -8.570 -2.977 9.742 1.00 26.26 ? 315 ILE A N 1 ATOM 2498 C CA . ILE A 1 315 ? -7.674 -1.945 10.198 1.00 27.35 ? 315 ILE A CA 1 ATOM 2499 C C . ILE A 1 315 ? -7.534 -1.901 11.746 1.00 26.31 ? 315 ILE A C 1 ATOM 2500 O O . ILE A 1 315 ? -6.694 -1.171 12.263 1.00 24.10 ? 315 ILE A O 1 ATOM 2501 C CB . ILE A 1 315 ? -8.015 -0.586 9.582 1.00 27.59 ? 315 ILE A CB 1 ATOM 2502 C CG1 . ILE A 1 315 ? -9.369 -0.095 10.044 1.00 28.30 ? 315 ILE A CG1 1 ATOM 2503 C CG2 . ILE A 1 315 ? -7.965 -0.663 8.051 1.00 29.71 ? 315 ILE A CG2 1 ATOM 2504 C CD1 . ILE A 1 315 ? -9.656 1.318 9.596 1.00 30.43 ? 315 ILE A CD1 1 ATOM 2505 N N . VAL A 1 316 ? -8.321 -2.743 12.433 1.00 24.01 ? 316 VAL A N 1 ATOM 2506 C CA . VAL A 1 316 ? -8.066 -3.131 13.825 1.00 23.03 ? 316 VAL A CA 1 ATOM 2507 C C . VAL A 1 316 ? -7.137 -4.325 13.882 1.00 20.86 ? 316 VAL A C 1 ATOM 2508 O O . VAL A 1 316 ? -6.124 -4.335 14.598 1.00 21.30 ? 316 VAL A O 1 ATOM 2509 C CB . VAL A 1 316 ? -9.389 -3.522 14.538 1.00 22.49 ? 316 VAL A CB 1 ATOM 2510 C CG1 . VAL A 1 316 ? -9.130 -3.949 15.996 1.00 23.09 ? 316 VAL A CG1 1 ATOM 2511 C CG2 . VAL A 1 316 ? -10.396 -2.421 14.466 1.00 21.89 ? 316 VAL A CG2 1 ATOM 2512 N N . LEU A 1 317 ? -7.518 -5.380 13.169 1.00 23.41 ? 317 LEU A N 1 ATOM 2513 C CA . LEU A 1 317 ? -6.755 -6.643 13.250 1.00 24.68 ? 317 LEU A CA 1 ATOM 2514 C C . LEU A 1 317 ? -5.484 -6.675 12.379 1.00 25.80 ? 317 LEU A C 1 ATOM 2515 O O . LEU A 1 317 ? -4.531 -7.402 12.706 1.00 26.79 ? 317 LEU A O 1 ATOM 2516 C CB . LEU A 1 317 ? -7.648 -7.801 12.967 1.00 25.89 ? 317 LEU A CB 1 ATOM 2517 C CG . LEU A 1 317 ? -8.851 -7.895 13.890 1.00 26.98 ? 317 LEU A CG 1 ATOM 2518 C CD1 . LEU A 1 317 ? -9.747 -8.960 13.318 1.00 28.75 ? 317 LEU A CD1 1 ATOM 2519 C CD2 . LEU A 1 317 ? -8.400 -8.240 15.310 1.00 25.16 ? 317 LEU A CD2 1 ATOM 2520 N N . GLY A 1 318 ? -5.402 -5.865 11.332 1.00 26.15 ? 318 GLY A N 1 ATOM 2521 C CA . GLY A 1 318 ? -4.113 -5.797 10.583 1.00 26.73 ? 318 GLY A CA 1 ATOM 2522 C C . GLY A 1 318 ? -3.668 -7.127 10.028 1.00 25.73 ? 318 GLY A C 1 ATOM 2523 O O . GLY A 1 318 ? -4.459 -7.799 9.420 1.00 28.61 ? 318 GLY A O 1 ATOM 2524 N N . SER A 1 319 ? -2.466 -7.561 10.361 1.00 32.18 ? 319 SER A N 1 ATOM 2525 C CA . SER A 1 319 ? -1.891 -8.794 9.830 1.00 35.22 ? 319 SER A CA 1 ATOM 2526 C C . SER A 1 319 ? -2.619 -10.067 10.267 1.00 38.73 ? 319 SER A C 1 ATOM 2527 O O . SER A 1 319 ? -2.480 -11.103 9.643 1.00 35.20 ? 319 SER A O 1 ATOM 2528 C CB . SER A 1 319 ? -0.430 -8.870 10.254 1.00 35.13 ? 319 SER A CB 1 ATOM 2529 O OG . SER A 1 319 ? -0.293 -8.872 11.649 1.00 36.48 ? 319 SER A OG 1 ATOM 2530 N N . GLU A 1 320 ? -3.382 -9.976 11.356 1.00 33.46 ? 320 GLU A N 1 ATOM 2531 C CA . GLU A 1 320 ? -4.066 -11.111 11.981 1.00 32.79 ? 320 GLU A CA 1 ATOM 2532 C C . GLU A 1 320 ? -5.472 -11.286 11.468 1.00 29.42 ? 320 GLU A C 1 ATOM 2533 O O . GLU A 1 320 ? -6.185 -12.239 11.819 1.00 29.81 ? 320 GLU A O 1 ATOM 2534 C CB . GLU A 1 320 ? -4.171 -10.868 13.501 1.00 32.56 ? 320 GLU A CB 1 ATOM 2535 C CG . GLU A 1 320 ? -2.906 -10.517 14.224 1.00 38.94 ? 320 GLU A CG 1 ATOM 2536 C CD . GLU A 1 320 ? -1.975 -11.687 14.286 1.00 49.57 ? 320 GLU A CD 1 ATOM 2537 O OE1 . GLU A 1 320 ? -1.935 -12.326 15.350 1.00 57.44 ? 320 GLU A OE1 1 ATOM 2538 O OE2 . GLU A 1 320 ? -1.331 -11.970 13.254 1.00 45.38 ? 320 GLU A OE2 1 ATOM 2539 N N . MET A 1 321 ? -5.933 -10.353 10.660 1.00 29.23 ? 321 MET A N 1 ATOM 2540 C CA . MET A 1 321 ? -7.244 -10.410 10.087 1.00 31.88 ? 321 MET A CA 1 ATOM 2541 C C . MET A 1 321 ? -7.493 -11.740 9.355 1.00 35.69 ? 321 MET A C 1 ATOM 2542 O O . MET A 1 321 ? -8.450 -12.467 9.660 1.00 36.85 ? 321 MET A O 1 ATOM 2543 C CB . MET A 1 321 ? -7.443 -9.208 9.173 1.00 31.33 ? 321 MET A CB 1 ATOM 2544 C CG . MET A 1 321 ? -8.779 -9.046 8.488 1.00 31.68 ? 321 MET A CG 1 ATOM 2545 S SD . MET A 1 321 ? -10.322 -8.774 9.419 1.00 29.43 ? 321 MET A SD 1 ATOM 2546 C CE . MET A 1 321 ? -11.643 -9.072 8.256 1.00 33.97 ? 321 MET A CE 1 ATOM 2547 N N . GLN A 1 322 ? -6.636 -12.041 8.406 1.00 40.63 ? 322 GLN A N 1 ATOM 2548 C CA . GLN A 1 322 ? -6.739 -13.287 7.610 1.00 45.83 ? 322 GLN A CA 1 ATOM 2549 C C . GLN A 1 322 ? -6.865 -14.527 8.482 1.00 42.60 ? 322 GLN A C 1 ATOM 2550 O O . GLN A 1 322 ? -7.753 -15.380 8.296 1.00 42.12 ? 322 GLN A O 1 ATOM 2551 C CB . GLN A 1 322 ? -5.483 -13.420 6.719 1.00 51.94 ? 322 GLN A CB 1 ATOM 2552 C CG . GLN A 1 322 ? -5.536 -12.587 5.449 1.00 57.67 ? 322 GLN A CG 1 ATOM 2553 C CD . GLN A 1 322 ? -6.947 -12.548 4.890 1.00 64.12 ? 322 GLN A CD 1 ATOM 2554 O OE1 . GLN A 1 322 ? -7.460 -13.557 4.377 1.00 76.93 ? 322 GLN A OE1 1 ATOM 2555 N NE2 . GLN A 1 322 ? -7.607 -11.404 5.038 1.00 63.64 ? 322 GLN A NE2 1 ATOM 2556 N N . LYS A 1 323 ? -5.973 -14.573 9.458 1.00 35.86 ? 323 LYS A N 1 ATOM 2557 C CA . LYS A 1 323 ? -5.789 -15.733 10.306 1.00 38.17 ? 323 LYS A CA 1 ATOM 2558 C C . LYS A 1 323 ? -7.015 -16.051 11.165 1.00 41.26 ? 323 LYS A C 1 ATOM 2559 O O . LYS A 1 323 ? -7.366 -17.220 11.310 1.00 40.72 ? 323 LYS A O 1 ATOM 2560 C CB . LYS A 1 323 ? -4.529 -15.507 11.139 1.00 39.63 ? 323 LYS A CB 1 ATOM 2561 C CG . LYS A 1 323 ? -4.360 -16.216 12.473 1.00 46.15 ? 323 LYS A CG 1 ATOM 2562 C CD . LYS A 1 323 ? -2.896 -16.050 12.895 1.00 51.21 ? 323 LYS A CD 1 ATOM 2563 C CE . LYS A 1 323 ? -2.699 -15.921 14.392 1.00 58.30 ? 323 LYS A CE 1 ATOM 2564 N NZ . LYS A 1 323 ? -3.004 -17.173 15.140 1.00 55.73 ? 323 LYS A NZ 1 ATOM 2565 N N . TRP A 1 324 ? -7.691 -15.027 11.698 1.00 33.92 ? 324 TRP A N 1 ATOM 2566 C CA . TRP A 1 324 ? -8.851 -15.271 12.574 1.00 32.67 ? 324 TRP A CA 1 ATOM 2567 C C . TRP A 1 324 ? -10.158 -15.187 11.851 1.00 34.79 ? 324 TRP A C 1 ATOM 2568 O O . TRP A 1 324 ? -11.129 -15.745 12.337 1.00 40.70 ? 324 TRP A O 1 ATOM 2569 C CB . TRP A 1 324 ? -8.837 -14.329 13.757 1.00 28.52 ? 324 TRP A CB 1 ATOM 2570 C CG . TRP A 1 324 ? -7.656 -14.484 14.631 1.00 30.46 ? 324 TRP A CG 1 ATOM 2571 C CD1 . TRP A 1 324 ? -6.610 -13.657 14.689 1.00 30.03 ? 324 TRP A CD1 1 ATOM 2572 C CD2 . TRP A 1 324 ? -7.378 -15.540 15.548 1.00 32.04 ? 324 TRP A CD2 1 ATOM 2573 N NE1 . TRP A 1 324 ? -5.700 -14.090 15.598 1.00 36.23 ? 324 TRP A NE1 1 ATOM 2574 C CE2 . TRP A 1 324 ? -6.131 -15.264 16.128 1.00 36.46 ? 324 TRP A CE2 1 ATOM 2575 C CE3 . TRP A 1 324 ? -8.053 -16.680 15.932 1.00 34.40 ? 324 TRP A CE3 1 ATOM 2576 C CZ2 . TRP A 1 324 ? -5.532 -16.098 17.079 1.00 36.37 ? 324 TRP A CZ2 1 ATOM 2577 C CZ3 . TRP A 1 324 ? -7.485 -17.493 16.878 1.00 40.16 ? 324 TRP A CZ3 1 ATOM 2578 C CH2 . TRP A 1 324 ? -6.221 -17.207 17.435 1.00 39.89 ? 324 TRP A CH2 1 ATOM 2579 N N . ILE A 1 325 ? -10.213 -14.463 10.738 1.00 32.11 ? 325 ILE A N 1 ATOM 2580 C CA . ILE A 1 325 ? -11.459 -14.186 10.042 1.00 40.35 ? 325 ILE A CA 1 ATOM 2581 C C . ILE A 1 325 ? -11.241 -14.379 8.545 1.00 37.53 ? 325 ILE A C 1 ATOM 2582 O O . ILE A 1 325 ? -11.266 -13.437 7.765 1.00 40.40 ? 325 ILE A O 1 ATOM 2583 C CB . ILE A 1 325 ? -12.002 -12.755 10.349 1.00 38.79 ? 325 ILE A CB 1 ATOM 2584 C CG1 . ILE A 1 325 ? -12.033 -12.512 11.868 1.00 37.87 ? 325 ILE A CG1 1 ATOM 2585 C CG2 . ILE A 1 325 ? -13.384 -12.588 9.735 1.00 39.56 ? 325 ILE A CG2 1 ATOM 2586 C CD1 . ILE A 1 325 ? -12.776 -11.262 12.317 1.00 37.24 ? 325 ILE A CD1 1 ATOM 2587 N N . PRO A 1 326 ? -11.032 -15.626 8.136 1.00 42.35 ? 326 PRO A N 1 ATOM 2588 C CA . PRO A 1 326 ? -10.741 -15.862 6.716 1.00 44.94 ? 326 PRO A CA 1 ATOM 2589 C C . PRO A 1 326 ? -12.002 -15.676 5.880 1.00 45.70 ? 326 PRO A C 1 ATOM 2590 O O . PRO A 1 326 ? -13.102 -15.532 6.458 1.00 43.09 ? 326 PRO A O 1 ATOM 2591 C CB . PRO A 1 326 ? -10.243 -17.288 6.702 1.00 44.25 ? 326 PRO A CB 1 ATOM 2592 C CG . PRO A 1 326 ? -10.970 -17.942 7.823 1.00 45.23 ? 326 PRO A CG 1 ATOM 2593 C CD . PRO A 1 326 ? -11.145 -16.875 8.897 1.00 43.35 ? 326 PRO A CD 1 ATOM 2594 N N . PRO A 1 327 ? -11.862 -15.653 4.539 1.00 46.41 ? 327 PRO A N 1 ATOM 2595 C CA . PRO A 1 327 ? -13.029 -15.378 3.710 1.00 43.70 ? 327 PRO A CA 1 ATOM 2596 C C . PRO A 1 327 ? -14.221 -16.268 4.032 1.00 40.38 ? 327 PRO A C 1 ATOM 2597 O O . PRO A 1 327 ? -14.054 -17.432 4.346 1.00 40.42 ? 327 PRO A O 1 ATOM 2598 C CB . PRO A 1 327 ? -12.507 -15.611 2.287 1.00 49.53 ? 327 PRO A CB 1 ATOM 2599 C CG . PRO A 1 327 ? -11.021 -15.440 2.380 1.00 49.96 ? 327 PRO A CG 1 ATOM 2600 C CD . PRO A 1 327 ? -10.662 -15.947 3.727 1.00 50.12 ? 327 PRO A CD 1 ATOM 2601 N N . TYR A 1 328 ? -15.408 -15.683 4.011 1.00 41.18 ? 328 TYR A N 1 ATOM 2602 C CA . TYR A 1 328 ? -16.620 -16.331 4.442 1.00 38.71 ? 328 TYR A CA 1 ATOM 2603 C C . TYR A 1 328 ? -16.849 -17.604 3.618 1.00 48.59 ? 328 TYR A C 1 ATOM 2604 O O . TYR A 1 328 ? -16.517 -17.645 2.421 1.00 38.30 ? 328 TYR A O 1 ATOM 2605 C CB . TYR A 1 328 ? -17.778 -15.370 4.267 1.00 35.71 ? 328 TYR A CB 1 ATOM 2606 C CG . TYR A 1 328 ? -19.132 -15.812 4.760 1.00 36.68 ? 328 TYR A CG 1 ATOM 2607 C CD1 . TYR A 1 328 ? -19.352 -16.115 6.095 1.00 35.97 ? 328 TYR A CD1 1 ATOM 2608 C CD2 . TYR A 1 328 ? -20.236 -15.831 3.902 1.00 35.76 ? 328 TYR A CD2 1 ATOM 2609 C CE1 . TYR A 1 328 ? -20.601 -16.487 6.560 1.00 34.21 ? 328 TYR A CE1 1 ATOM 2610 C CE2 . TYR A 1 328 ? -21.498 -16.214 4.361 1.00 34.10 ? 328 TYR A CE2 1 ATOM 2611 C CZ . TYR A 1 328 ? -21.678 -16.547 5.684 1.00 35.25 ? 328 TYR A CZ 1 ATOM 2612 O OH . TYR A 1 328 ? -22.940 -16.895 6.108 1.00 33.03 ? 328 TYR A OH 1 ATOM 2613 N N . GLN A 1 329 ? -17.402 -18.626 4.294 1.00 53.79 ? 329 GLN A N 1 ATOM 2614 C CA . GLN A 1 329 ? -17.701 -19.950 3.720 1.00 47.24 ? 329 GLN A CA 1 ATOM 2615 C C . GLN A 1 329 ? -19.089 -20.435 4.108 1.00 45.23 ? 329 GLN A C 1 ATOM 2616 O O . GLN A 1 329 ? -19.331 -21.627 4.118 1.00 53.91 ? 329 GLN A O 1 ATOM 2617 C CB . GLN A 1 329 ? -16.650 -20.953 4.185 1.00 49.29 ? 329 GLN A CB 1 ATOM 2618 C CG . GLN A 1 329 ? -15.217 -20.638 3.755 1.00 52.70 ? 329 GLN A CG 1 ATOM 2619 C CD . GLN A 1 329 ? -15.031 -20.696 2.237 1.00 60.52 ? 329 GLN A CD 1 ATOM 2620 O OE1 . GLN A 1 329 ? -14.623 -19.716 1.591 1.00 56.73 ? 329 GLN A OE1 1 ATOM 2621 N NE2 . GLN A 1 329 ? -15.345 -21.853 1.655 1.00 62.02 ? 329 GLN A NE2 1 ATOM 2622 N N . GLY A 1 330 ? -19.993 -19.517 4.430 1.00 34.93 ? 330 GLY A N 1 ATOM 2623 C CA . GLY A 1 330 ? -21.375 -19.818 4.769 1.00 35.65 ? 330 GLY A CA 1 ATOM 2624 C C . GLY A 1 330 ? -21.702 -20.054 6.249 1.00 35.53 ? 330 GLY A C 1 ATOM 2625 O O . GLY A 1 330 ? -20.835 -20.267 7.071 1.00 39.05 ? 330 GLY A O 1 ATOM 2626 N N . TYR A 1 331 ? -22.990 -20.088 6.527 1.00 35.49 ? 331 TYR A N 1 ATOM 2627 C CA . TYR A 1 331 ? -23.520 -20.284 7.837 1.00 34.59 ? 331 TYR A CA 1 ATOM 2628 C C . TYR A 1 331 ? -23.230 -21.662 8.343 1.00 40.69 ? 331 TYR A C 1 ATOM 2629 O O . TYR A 1 331 ? -23.468 -22.650 7.641 1.00 36.44 ? 331 TYR A O 1 ATOM 2630 C CB . TYR A 1 331 ? -25.018 -20.083 7.812 1.00 33.42 ? 331 TYR A CB 1 ATOM 2631 C CG . TYR A 1 331 ? -25.717 -20.442 9.108 1.00 36.38 ? 331 TYR A CG 1 ATOM 2632 C CD1 . TYR A 1 331 ? -25.209 -20.028 10.353 1.00 33.96 ? 331 TYR A CD1 1 ATOM 2633 C CD2 . TYR A 1 331 ? -26.912 -21.156 9.110 1.00 35.76 ? 331 TYR A CD2 1 ATOM 2634 C CE1 . TYR A 1 331 ? -25.845 -20.349 11.520 1.00 33.45 ? 331 TYR A CE1 1 ATOM 2635 C CE2 . TYR A 1 331 ? -27.559 -21.464 10.302 1.00 37.53 ? 331 TYR A CE2 1 ATOM 2636 C CZ . TYR A 1 331 ? -27.014 -21.074 11.505 1.00 34.03 ? 331 TYR A CZ 1 ATOM 2637 O OH . TYR A 1 331 ? -27.689 -21.343 12.672 1.00 32.28 ? 331 TYR A OH 1 ATOM 2638 N N . ASN A 1 332 ? -22.726 -21.719 9.573 1.00 37.66 ? 332 ASN A N 1 ATOM 2639 C CA . ASN A 1 332 ? -22.402 -22.941 10.229 1.00 35.65 ? 332 ASN A CA 1 ATOM 2640 C C . ASN A 1 332 ? -23.144 -22.999 11.563 1.00 37.75 ? 332 ASN A C 1 ATOM 2641 O O . ASN A 1 332 ? -22.711 -22.387 12.526 1.00 30.90 ? 332 ASN A O 1 ATOM 2642 C CB . ASN A 1 332 ? -20.902 -23.034 10.419 1.00 34.36 ? 332 ASN A CB 1 ATOM 2643 C CG . ASN A 1 332 ? -20.493 -24.283 11.159 1.00 35.26 ? 332 ASN A CG 1 ATOM 2644 O OD1 . ASN A 1 332 ? -21.312 -24.954 11.749 1.00 35.53 ? 332 ASN A OD1 1 ATOM 2645 N ND2 . ASN A 1 332 ? -19.218 -24.593 11.138 1.00 44.79 ? 332 ASN A ND2 1 ATOM 2646 N N . ASN A 1 333 ? -24.225 -23.784 11.624 1.00 32.21 ? 333 ASN A N 1 ATOM 2647 C CA . ASN A 1 333 ? -25.001 -23.891 12.847 1.00 33.68 ? 333 ASN A CA 1 ATOM 2648 C C . ASN A 1 333 ? -24.350 -24.592 14.065 1.00 30.23 ? 333 ASN A C 1 ATOM 2649 O O . ASN A 1 333 ? -24.999 -24.763 15.087 1.00 34.82 ? 333 ASN A O 1 ATOM 2650 C CB . ASN A 1 333 ? -26.356 -24.483 12.536 1.00 34.65 ? 333 ASN A CB 1 ATOM 2651 C CG . ASN A 1 333 ? -26.289 -25.920 12.103 1.00 41.38 ? 333 ASN A CG 1 ATOM 2652 O OD1 . ASN A 1 333 ? -25.281 -26.605 12.269 1.00 32.81 ? 333 ASN A OD1 1 ATOM 2653 N ND2 . ASN A 1 333 ? -27.385 -26.389 11.530 1.00 46.78 ? 333 ASN A ND2 1 ATOM 2654 N N . SER A 1 334 ? -23.115 -25.065 13.936 1.00 32.67 ? 334 SER A N 1 ATOM 2655 C CA . SER A 1 334 ? -22.366 -25.589 15.101 1.00 36.21 ? 334 SER A CA 1 ATOM 2656 C C . SER A 1 334 ? -21.532 -24.520 15.774 1.00 33.87 ? 334 SER A C 1 ATOM 2657 O O . SER A 1 334 ? -20.955 -24.778 16.819 1.00 30.34 ? 334 SER A O 1 ATOM 2658 C CB . SER A 1 334 ? -21.447 -26.754 14.698 1.00 39.01 ? 334 SER A CB 1 ATOM 2659 O OG . SER A 1 334 ? -22.277 -27.866 14.434 1.00 47.90 ? 334 SER A OG 1 ATOM 2660 N N . VAL A 1 335 ? -21.430 -23.341 15.172 1.00 27.50 ? 335 VAL A N 1 ATOM 2661 C CA . VAL A 1 335 ? -20.569 -22.284 15.697 1.00 26.28 ? 335 VAL A CA 1 ATOM 2662 C C . VAL A 1 335 ? -21.414 -21.603 16.767 1.00 26.03 ? 335 VAL A C 1 ATOM 2663 O O . VAL A 1 335 ? -22.606 -21.322 16.542 1.00 26.33 ? 335 VAL A O 1 ATOM 2664 C CB . VAL A 1 335 ? -20.162 -21.275 14.602 1.00 28.29 ? 335 VAL A CB 1 ATOM 2665 C CG1 . VAL A 1 335 ? -19.670 -19.940 15.202 1.00 28.99 ? 335 VAL A CG1 1 ATOM 2666 C CG2 . VAL A 1 335 ? -19.137 -21.878 13.667 1.00 31.45 ? 335 VAL A CG2 1 ATOM 2667 N N . ASP A 1 336 ? -20.791 -21.322 17.913 1.00 26.35 ? 336 ASP A N 1 ATOM 2668 C CA . ASP A 1 336 ? -21.453 -20.605 19.014 1.00 24.93 ? 336 ASP A CA 1 ATOM 2669 C C . ASP A 1 336 ? -21.413 -19.079 18.707 1.00 25.31 ? 336 ASP A C 1 ATOM 2670 O O . ASP A 1 336 ? -20.360 -18.464 18.711 1.00 25.46 ? 336 ASP A O 1 ATOM 2671 C CB . ASP A 1 336 ? -20.734 -20.913 20.331 1.00 28.38 ? 336 ASP A CB 1 ATOM 2672 C CG . ASP A 1 336 ? -21.306 -20.169 21.504 1.00 30.30 ? 336 ASP A CG 1 ATOM 2673 O OD1 . ASP A 1 336 ? -22.416 -19.576 21.416 1.00 28.35 ? 336 ASP A OD1 1 ATOM 2674 O OD2 . ASP A 1 336 ? -20.667 -20.251 22.554 1.00 35.96 ? 336 ASP A OD2 1 ATOM 2675 N N . PRO A 1 337 ? -22.567 -18.472 18.463 1.00 27.55 ? 337 PRO A N 1 ATOM 2676 C CA . PRO A 1 337 ? -22.626 -17.036 18.131 1.00 27.82 ? 337 PRO A CA 1 ATOM 2677 C C . PRO A 1 337 ? -22.575 -16.129 19.361 1.00 26.25 ? 337 PRO A C 1 ATOM 2678 O O . PRO A 1 337 ? -22.478 -14.919 19.209 1.00 27.85 ? 337 PRO A O 1 ATOM 2679 C CB . PRO A 1 337 ? -24.007 -16.926 17.487 1.00 27.77 ? 337 PRO A CB 1 ATOM 2680 C CG . PRO A 1 337 ? -24.824 -17.885 18.288 1.00 28.73 ? 337 PRO A CG 1 ATOM 2681 C CD . PRO A 1 337 ? -23.931 -19.072 18.497 1.00 28.45 ? 337 PRO A CD 1 ATOM 2682 N N . ARG A 1 338 ? -22.705 -16.684 20.557 1.00 21.99 ? 338 ARG A N 1 ATOM 2683 C CA . ARG A 1 338 ? -22.726 -15.831 21.777 1.00 22.99 ? 338 ARG A CA 1 ATOM 2684 C C . ARG A 1 338 ? -21.457 -14.966 21.976 1.00 20.55 ? 338 ARG A C 1 ATOM 2685 O O . ARG A 1 338 ? -20.352 -15.440 21.740 1.00 18.51 ? 338 ARG A O 1 ATOM 2686 C CB . ARG A 1 338 ? -22.890 -16.664 23.032 1.00 22.85 ? 338 ARG A CB 1 ATOM 2687 C CG . ARG A 1 338 ? -24.280 -17.332 23.134 1.00 26.07 ? 338 ARG A CG 1 ATOM 2688 C CD . ARG A 1 338 ? -24.347 -18.319 24.268 1.00 24.45 ? 338 ARG A CD 1 ATOM 2689 N NE . ARG A 1 338 ? -23.243 -19.291 24.203 1.00 23.58 ? 338 ARG A NE 1 ATOM 2690 C CZ . ARG A 1 338 ? -22.759 -19.934 25.272 1.00 27.49 ? 338 ARG A CZ 1 ATOM 2691 N NH1 . ARG A 1 338 ? -23.284 -19.722 26.486 1.00 29.71 ? 338 ARG A NH1 1 ATOM 2692 N NH2 . ARG A 1 338 ? -21.738 -20.782 25.150 1.00 29.60 ? 338 ARG A NH2 1 ATOM 2693 N N . ILE A 1 339 ? -21.665 -13.750 22.476 1.00 18.97 ? 339 ILE A N 1 ATOM 2694 C CA . ILE A 1 339 ? -20.563 -12.893 22.931 1.00 19.98 ? 339 ILE A CA 1 ATOM 2695 C C . ILE A 1 339 ? -20.043 -13.535 24.240 1.00 19.35 ? 339 ILE A C 1 ATOM 2696 O O . ILE A 1 339 ? -20.815 -13.883 25.205 1.00 15.61 ? 339 ILE A O 1 ATOM 2697 C CB . ILE A 1 339 ? -20.977 -11.418 23.024 1.00 19.39 ? 339 ILE A CB 1 ATOM 2698 C CG1 . ILE A 1 339 ? -21.451 -10.846 21.670 1.00 19.01 ? 339 ILE A CG1 1 ATOM 2699 C CG2 . ILE A 1 339 ? -19.856 -10.534 23.599 1.00 18.45 ? 339 ILE A CG2 1 ATOM 2700 C CD1 . ILE A 1 339 ? -20.406 -10.850 20.553 1.00 21.23 ? 339 ILE A CD1 1 ATOM 2701 N N . SER A 1 340 ? -18.719 -13.680 24.291 1.00 15.82 ? 340 SER A N 1 ATOM 2702 C CA . SER A 1 340 ? -18.020 -14.134 25.465 1.00 15.72 ? 340 SER A CA 1 ATOM 2703 C C . SER A 1 340 ? -17.815 -13.032 26.453 1.00 14.65 ? 340 SER A C 1 ATOM 2704 O O . SER A 1 340 ? -17.720 -11.828 26.072 1.00 16.28 ? 340 SER A O 1 ATOM 2705 C CB . SER A 1 340 ? -16.632 -14.743 25.091 1.00 15.52 ? 340 SER A CB 1 ATOM 2706 O OG . SER A 1 340 ? -15.767 -13.762 24.579 1.00 14.97 ? 340 SER A OG 1 ATOM 2707 N N . ASN A 1 341 ? -17.698 -13.436 27.715 1.00 14.61 ? 341 ASN A N 1 ATOM 2708 C CA . ASN A 1 341 ? -17.525 -12.488 28.825 1.00 14.72 ? 341 ASN A CA 1 ATOM 2709 C C . ASN A 1 341 ? -16.169 -11.755 28.568 1.00 15.23 ? 341 ASN A C 1 ATOM 2710 O O . ASN A 1 341 ? -16.110 -10.520 28.571 1.00 13.35 ? 341 ASN A O 1 ATOM 2711 C CB . ASN A 1 341 ? -17.478 -13.208 30.141 1.00 17.93 ? 341 ASN A CB 1 ATOM 2712 C CG . ASN A 1 341 ? -17.913 -12.317 31.333 1.00 21.21 ? 341 ASN A CG 1 ATOM 2713 O OD1 . ASN A 1 341 ? -17.449 -11.173 31.458 1.00 20.76 ? 341 ASN A OD1 1 ATOM 2714 N ND2 . ASN A 1 341 ? -18.876 -12.810 32.166 1.00 18.37 ? 341 ASN A ND2 1 ATOM 2715 N N . VAL A 1 342 ? -15.157 -12.475 28.133 1.00 13.32 ? 342 VAL A N 1 ATOM 2716 C CA . VAL A 1 342 ? -13.833 -11.793 27.862 1.00 14.14 ? 342 VAL A CA 1 ATOM 2717 C C . VAL A 1 342 ? -13.873 -10.749 26.725 1.00 14.16 ? 342 VAL A C 1 ATOM 2718 O O . VAL A 1 342 ? -13.244 -9.711 26.801 1.00 14.53 ? 342 VAL A O 1 ATOM 2719 C CB . VAL A 1 342 ? -12.719 -12.764 27.648 1.00 14.51 ? 342 VAL A CB 1 ATOM 2720 C CG1 . VAL A 1 342 ? -12.775 -13.467 26.306 1.00 15.81 ? 342 VAL A CG1 1 ATOM 2721 C CG2 . VAL A 1 342 ? -11.318 -12.047 27.857 1.00 13.80 ? 342 VAL A CG2 1 ATOM 2722 N N . PHE A 1 343 ? -14.664 -10.988 25.676 1.00 15.12 ? 343 PHE A N 1 ATOM 2723 C CA . PHE A 1 343 ? -14.768 -10.051 24.584 1.00 14.88 ? 343 PHE A CA 1 ATOM 2724 C C . PHE A 1 343 ? -15.206 -8.685 25.032 1.00 17.26 ? 343 PHE A C 1 ATOM 2725 O O . PHE A 1 343 ? -14.753 -7.653 24.501 1.00 15.60 ? 343 PHE A O 1 ATOM 2726 C CB . PHE A 1 343 ? -15.752 -10.603 23.542 1.00 14.27 ? 343 PHE A CB 1 ATOM 2727 C CG . PHE A 1 343 ? -15.936 -9.743 22.343 1.00 15.39 ? 343 PHE A CG 1 ATOM 2728 C CD1 . PHE A 1 343 ? -15.005 -9.712 21.288 1.00 16.16 ? 343 PHE A CD1 1 ATOM 2729 C CD2 . PHE A 1 343 ? -16.985 -8.865 22.284 1.00 16.95 ? 343 PHE A CD2 1 ATOM 2730 C CE1 . PHE A 1 343 ? -15.230 -8.901 20.159 1.00 14.88 ? 343 PHE A CE1 1 ATOM 2731 C CE2 . PHE A 1 343 ? -17.231 -8.072 21.174 1.00 15.83 ? 343 PHE A CE2 1 ATOM 2732 C CZ . PHE A 1 343 ? -16.350 -8.101 20.104 1.00 18.18 ? 343 PHE A CZ 1 ATOM 2733 N N . THR A 1 344 ? -16.086 -8.661 26.049 1.00 16.57 ? 344 THR A N 1 ATOM 2734 C CA . THR A 1 344 ? -16.628 -7.428 26.470 1.00 17.73 ? 344 THR A CA 1 ATOM 2735 C C . THR A 1 344 ? -15.526 -6.620 27.160 1.00 17.36 ? 344 THR A C 1 ATOM 2736 O O . THR A 1 344 ? -15.694 -5.401 27.293 1.00 17.22 ? 344 THR A O 1 ATOM 2737 C CB . THR A 1 344 ? -17.888 -7.592 27.431 1.00 20.53 ? 344 THR A CB 1 ATOM 2738 O OG1 . THR A 1 344 ? -17.456 -7.931 28.763 1.00 20.40 ? 344 THR A OG1 1 ATOM 2739 C CG2 . THR A 1 344 ? -18.750 -8.615 26.933 1.00 17.73 ? 344 THR A CG2 1 ATOM 2740 N N . PHE A 1 345 ? -14.418 -7.245 27.569 1.00 15.26 ? 345 PHE A N 1 ATOM 2741 C CA . PHE A 1 345 ? -13.238 -6.464 28.010 1.00 15.66 ? 345 PHE A CA 1 ATOM 2742 C C . PHE A 1 345 ? -12.223 -6.223 26.897 1.00 14.36 ? 345 PHE A C 1 ATOM 2743 O O . PHE A 1 345 ? -11.660 -5.125 26.831 1.00 15.62 ? 345 PHE A O 1 ATOM 2744 C CB . PHE A 1 345 ? -12.576 -7.112 29.265 1.00 15.07 ? 345 PHE A CB 1 ATOM 2745 C CG . PHE A 1 345 ? -13.546 -7.209 30.388 1.00 14.93 ? 345 PHE A CG 1 ATOM 2746 C CD1 . PHE A 1 345 ? -13.861 -6.099 31.127 1.00 15.10 ? 345 PHE A CD1 1 ATOM 2747 C CD2 . PHE A 1 345 ? -14.189 -8.403 30.660 1.00 14.69 ? 345 PHE A CD2 1 ATOM 2748 C CE1 . PHE A 1 345 ? -14.853 -6.137 32.147 1.00 17.93 ? 345 PHE A CE1 1 ATOM 2749 C CE2 . PHE A 1 345 ? -15.193 -8.434 31.668 1.00 18.49 ? 345 PHE A CE2 1 ATOM 2750 C CZ . PHE A 1 345 ? -15.472 -7.314 32.426 1.00 19.13 ? 345 PHE A CZ 1 ATOM 2751 N N . ALA A 1 346 ? -12.053 -7.192 26.018 1.00 13.65 ? 346 ALA A N 1 ATOM 2752 C CA . ALA A 1 346 ? -11.110 -7.034 24.904 1.00 15.95 ? 346 ALA A CA 1 ATOM 2753 C C . ALA A 1 346 ? -11.524 -5.869 24.011 1.00 15.96 ? 346 ALA A C 1 ATOM 2754 O O . ALA A 1 346 ? -10.713 -5.071 23.602 1.00 13.82 ? 346 ALA A O 1 ATOM 2755 C CB . ALA A 1 346 ? -11.029 -8.324 24.122 1.00 15.38 ? 346 ALA A CB 1 ATOM 2756 N N . PHE A 1 347 ? -12.825 -5.645 23.848 1.00 16.55 ? 347 PHE A N 1 ATOM 2757 C CA . PHE A 1 347 ? -13.297 -4.600 22.931 1.00 14.70 ? 347 PHE A CA 1 ATOM 2758 C C . PHE A 1 347 ? -13.164 -3.266 23.595 1.00 14.83 ? 347 PHE A C 1 ATOM 2759 O O . PHE A 1 347 ? -13.231 -2.246 22.926 1.00 17.11 ? 347 PHE A O 1 ATOM 2760 C CB . PHE A 1 347 ? -14.743 -4.878 22.499 1.00 16.11 ? 347 PHE A CB 1 ATOM 2761 C CG . PHE A 1 347 ? -15.145 -4.327 21.215 1.00 16.05 ? 347 PHE A CG 1 ATOM 2762 C CD1 . PHE A 1 347 ? -14.298 -3.620 20.402 1.00 17.08 ? 347 PHE A CD1 1 ATOM 2763 C CD2 . PHE A 1 347 ? -16.408 -4.631 20.734 1.00 17.72 ? 347 PHE A CD2 1 ATOM 2764 C CE1 . PHE A 1 347 ? -14.724 -3.154 19.167 1.00 19.14 ? 347 PHE A CE1 1 ATOM 2765 C CE2 . PHE A 1 347 ? -16.814 -4.235 19.457 1.00 18.36 ? 347 PHE A CE2 1 ATOM 2766 C CZ . PHE A 1 347 ? -15.945 -3.470 18.679 1.00 18.24 ? 347 PHE A CZ 1 ATOM 2767 N N . ARG A 1 348 ? -12.892 -3.209 24.898 1.00 14.15 ? 348 ARG A N 1 ATOM 2768 C CA . ARG A 1 348 ? -12.619 -1.949 25.529 1.00 14.97 ? 348 ARG A CA 1 ATOM 2769 C C . ARG A 1 348 ? -11.203 -1.434 25.176 1.00 16.53 ? 348 ARG A C 1 ATOM 2770 O O . ARG A 1 348 ? -10.777 -0.475 25.755 1.00 17.17 ? 348 ARG A O 1 ATOM 2771 C CB . ARG A 1 348 ? -12.757 -1.987 27.029 1.00 17.69 ? 348 ARG A CB 1 ATOM 2772 C CG . ARG A 1 348 ? -14.161 -2.340 27.521 1.00 18.13 ? 348 ARG A CG 1 ATOM 2773 C CD . ARG A 1 348 ? -14.213 -2.590 29.034 1.00 17.59 ? 348 ARG A CD 1 ATOM 2774 N NE . ARG A 1 348 ? -15.476 -3.303 29.380 1.00 19.50 ? 348 ARG A NE 1 ATOM 2775 C CZ . ARG A 1 348 ? -16.212 -3.097 30.455 1.00 17.57 ? 348 ARG A CZ 1 ATOM 2776 N NH1 . ARG A 1 348 ? -15.873 -2.217 31.389 1.00 16.02 ? 348 ARG A NH1 1 ATOM 2777 N NH2 . ARG A 1 348 ? -17.282 -3.868 30.640 1.00 18.88 ? 348 ARG A NH2 1 ATOM 2778 N N . PHE A 1 349 ? -10.582 -1.979 24.139 1.00 14.76 ? 349 PHE A N 1 ATOM 2779 C CA . PHE A 1 349 ? -9.343 -1.320 23.591 1.00 15.59 ? 349 PHE A CA 1 ATOM 2780 C C . PHE A 1 349 ? -9.700 0.066 23.092 1.00 15.65 ? 349 PHE A C 1 ATOM 2781 O O . PHE A 1 349 ? -8.853 1.013 23.078 1.00 16.00 ? 349 PHE A O 1 ATOM 2782 C CB . PHE A 1 349 ? -8.679 -2.197 22.522 1.00 15.64 ? 349 PHE A CB 1 ATOM 2783 C CG . PHE A 1 349 ? -9.412 -2.187 21.181 1.00 15.08 ? 349 PHE A CG 1 ATOM 2784 C CD1 . PHE A 1 349 ? -9.291 -1.122 20.310 1.00 13.78 ? 349 PHE A CD1 1 ATOM 2785 C CD2 . PHE A 1 349 ? -10.258 -3.201 20.843 1.00 16.29 ? 349 PHE A CD2 1 ATOM 2786 C CE1 . PHE A 1 349 ? -9.966 -1.114 19.090 1.00 18.08 ? 349 PHE A CE1 1 ATOM 2787 C CE2 . PHE A 1 349 ? -10.985 -3.181 19.630 1.00 16.95 ? 349 PHE A CE2 1 ATOM 2788 C CZ . PHE A 1 349 ? -10.830 -2.133 18.754 1.00 18.30 ? 349 PHE A CZ 1 ATOM 2789 N N . GLY A 1 350 ? -11.000 0.269 22.746 1.00 15.96 ? 350 GLY A N 1 ATOM 2790 C CA . GLY A 1 350 ? -11.443 1.546 22.233 1.00 14.52 ? 350 GLY A CA 1 ATOM 2791 C C . GLY A 1 350 ? -11.185 2.711 23.141 1.00 15.58 ? 350 GLY A C 1 ATOM 2792 O O . GLY A 1 350 ? -10.974 3.857 22.681 1.00 15.01 ? 350 GLY A O 1 ATOM 2793 N N . HIS A 1 351 ? -11.210 2.424 24.434 1.00 16.60 ? 351 HIS A N 1 ATOM 2794 C CA . HIS A 1 351 ? -11.042 3.434 25.453 1.00 16.74 ? 351 HIS A CA 1 ATOM 2795 C C . HIS A 1 351 ? -9.735 4.168 25.331 1.00 16.92 ? 351 HIS A C 1 ATOM 2796 O O . HIS A 1 351 ? -9.643 5.312 25.740 1.00 17.50 ? 351 HIS A O 1 ATOM 2797 C CB . HIS A 1 351 ? -11.290 2.854 26.855 1.00 17.73 ? 351 HIS A CB 1 ATOM 2798 C CG . HIS A 1 351 ? -12.734 2.417 27.052 1.00 19.51 ? 351 HIS A CG 1 ATOM 2799 N ND1 . HIS A 1 351 ? -13.102 1.549 28.037 1.00 19.66 ? 351 HIS A ND1 1 ATOM 2800 C CD2 . HIS A 1 351 ? -13.870 2.718 26.377 1.00 20.25 ? 351 HIS A CD2 1 ATOM 2801 C CE1 . HIS A 1 351 ? -14.398 1.303 27.943 1.00 20.99 ? 351 HIS A CE1 1 ATOM 2802 N NE2 . HIS A 1 351 ? -14.910 2.011 26.947 1.00 19.63 ? 351 HIS A NE2 1 ATOM 2803 N N . MET A 1 352 ? -8.729 3.522 24.770 1.00 17.77 ? 352 MET A N 1 ATOM 2804 C CA . MET A 1 352 ? -7.414 4.182 24.528 1.00 18.64 ? 352 MET A CA 1 ATOM 2805 C C . MET A 1 352 ? -7.347 4.938 23.210 1.00 19.32 ? 352 MET A C 1 ATOM 2806 O O . MET A 1 352 ? -6.350 5.580 22.967 1.00 20.01 ? 352 MET A O 1 ATOM 2807 C CB . MET A 1 352 ? -6.294 3.179 24.607 1.00 19.12 ? 352 MET A CB 1 ATOM 2808 C CG . MET A 1 352 ? -6.372 2.412 25.929 1.00 23.61 ? 352 MET A CG 1 ATOM 2809 S SD . MET A 1 352 ? -4.873 1.551 26.350 1.00 27.12 ? 352 MET A SD 1 ATOM 2810 C CE . MET A 1 352 ? -5.327 0.683 27.889 1.00 26.58 ? 352 MET A CE 1 ATOM 2811 N N . GLU A 1 353 ? -8.436 4.920 22.428 1.00 17.63 ? 353 GLU A N 1 ATOM 2812 C CA . GLU A 1 353 ? -8.502 5.639 21.182 1.00 18.57 ? 353 GLU A CA 1 ATOM 2813 C C . GLU A 1 353 ? -9.325 6.892 21.236 1.00 19.54 ? 353 GLU A C 1 ATOM 2814 O O . GLU A 1 353 ? -9.510 7.565 20.197 1.00 20.77 ? 353 GLU A O 1 ATOM 2815 C CB . GLU A 1 353 ? -9.072 4.718 20.078 1.00 18.85 ? 353 GLU A CB 1 ATOM 2816 C CG . GLU A 1 353 ? -8.345 3.376 19.917 1.00 16.47 ? 353 GLU A CG 1 ATOM 2817 C CD . GLU A 1 353 ? -8.971 2.507 18.795 1.00 17.05 ? 353 GLU A CD 1 ATOM 2818 O OE1 . GLU A 1 353 ? -10.161 2.687 18.444 1.00 18.05 ? 353 GLU A OE1 1 ATOM 2819 O OE2 . GLU A 1 353 ? -8.327 1.527 18.335 1.00 17.40 ? 353 GLU A OE2 1 ATOM 2820 N N . VAL A 1 354 ? -9.876 7.196 22.415 1.00 19.51 ? 354 VAL A N 1 ATOM 2821 C CA . VAL A 1 354 ? -10.698 8.353 22.596 1.00 19.59 ? 354 VAL A CA 1 ATOM 2822 C C . VAL A 1 354 ? -9.836 9.560 22.881 1.00 18.18 ? 354 VAL A C 1 ATOM 2823 O O . VAL A 1 354 ? -9.118 9.602 23.871 1.00 20.42 ? 354 VAL A O 1 ATOM 2824 C CB . VAL A 1 354 ? -11.739 8.144 23.724 1.00 19.12 ? 354 VAL A CB 1 ATOM 2825 C CG1 . VAL A 1 354 ? -12.561 9.411 23.848 1.00 21.29 ? 354 VAL A CG1 1 ATOM 2826 C CG2 . VAL A 1 354 ? -12.613 6.916 23.413 1.00 18.12 ? 354 VAL A CG2 1 ATOM 2827 N N . PRO A 1 355 ? -9.916 10.599 22.041 1.00 20.51 ? 355 PRO A N 1 ATOM 2828 C CA . PRO A 1 355 ? -9.048 11.765 22.271 1.00 21.64 ? 355 PRO A CA 1 ATOM 2829 C C . PRO A 1 355 ? -9.683 12.742 23.285 1.00 22.48 ? 355 PRO A C 1 ATOM 2830 O O . PRO A 1 355 ? -10.856 12.523 23.680 1.00 19.14 ? 355 PRO A O 1 ATOM 2831 C CB . PRO A 1 355 ? -8.963 12.417 20.893 1.00 21.65 ? 355 PRO A CB 1 ATOM 2832 C CG . PRO A 1 355 ? -10.326 12.175 20.356 1.00 22.88 ? 355 PRO A CG 1 ATOM 2833 C CD . PRO A 1 355 ? -10.820 10.825 20.901 1.00 20.49 ? 355 PRO A CD 1 ATOM 2834 N N . SER A 1 356 ? -8.923 13.778 23.690 1.00 19.77 ? 356 SER A N 1 ATOM 2835 C CA . SER A 1 356 ? -9.378 14.669 24.795 1.00 21.31 ? 356 SER A CA 1 ATOM 2836 C C . SER A 1 356 ? -10.431 15.734 24.404 1.00 21.99 ? 356 SER A C 1 ATOM 2837 O O . SER A 1 356 ? -11.071 16.322 25.274 1.00 19.67 ? 356 SER A O 1 ATOM 2838 C CB . SER A 1 356 ? -8.233 15.337 25.495 1.00 22.78 ? 356 SER A CB 1 ATOM 2839 O OG . SER A 1 356 ? -7.599 16.257 24.637 1.00 20.94 ? 356 SER A OG 1 ATOM 2840 N N . THR A 1 357 ? -10.581 15.974 23.108 1.00 21.31 ? 357 THR A N 1 ATOM 2841 C CA . THR A 1 357 ? -11.491 17.019 22.625 1.00 23.19 ? 357 THR A CA 1 ATOM 2842 C C . THR A 1 357 ? -12.341 16.517 21.478 1.00 22.20 ? 357 THR A C 1 ATOM 2843 O O . THR A 1 357 ? -12.031 15.508 20.871 1.00 21.01 ? 357 THR A O 1 ATOM 2844 C CB . THR A 1 357 ? -10.737 18.288 22.153 1.00 22.28 ? 357 THR A CB 1 ATOM 2845 O OG1 . THR A 1 357 ? -9.988 17.976 20.963 1.00 27.84 ? 357 THR A OG1 1 ATOM 2846 C CG2 . THR A 1 357 ? -9.811 18.773 23.233 1.00 23.35 ? 357 THR A CG2 1 ATOM 2847 N N . VAL A 1 358 ? -13.478 17.173 21.276 1.00 21.45 ? 358 VAL A N 1 ATOM 2848 C CA . VAL A 1 358 ? -14.350 17.009 20.103 1.00 23.58 ? 358 VAL A CA 1 ATOM 2849 C C . VAL A 1 358 ? -14.507 18.364 19.417 1.00 26.80 ? 358 VAL A C 1 ATOM 2850 O O . VAL A 1 358 ? -14.681 19.398 20.109 1.00 25.94 ? 358 VAL A O 1 ATOM 2851 C CB . VAL A 1 358 ? -15.714 16.505 20.576 1.00 22.33 ? 358 VAL A CB 1 ATOM 2852 C CG1 . VAL A 1 358 ? -16.754 16.511 19.480 1.00 24.12 ? 358 VAL A CG1 1 ATOM 2853 C CG2 . VAL A 1 358 ? -15.512 15.080 21.106 1.00 24.35 ? 358 VAL A CG2 1 ATOM 2854 N N . SER A 1 359 ? -14.532 18.365 18.087 1.00 24.97 ? 359 SER A N 1 ATOM 2855 C CA . SER A 1 359 ? -14.735 19.602 17.328 1.00 25.80 ? 359 SER A CA 1 ATOM 2856 C C . SER A 1 359 ? -16.044 19.588 16.543 1.00 27.31 ? 359 SER A C 1 ATOM 2857 O O . SER A 1 359 ? -16.522 18.531 16.074 1.00 26.34 ? 359 SER A O 1 ATOM 2858 C CB . SER A 1 359 ? -13.590 19.835 16.333 1.00 26.18 ? 359 SER A CB 1 ATOM 2859 O OG . SER A 1 359 ? -12.417 20.292 16.970 1.00 26.85 ? 359 SER A OG 1 ATOM 2860 N N . ARG A 1 360 ? -16.588 20.796 16.383 1.00 30.63 ? 360 ARG A N 1 ATOM 2861 C CA . ARG A 1 360 ? -17.630 21.091 15.415 1.00 30.51 ? 360 ARG A CA 1 ATOM 2862 C C . ARG A 1 360 ? -16.962 21.895 14.303 1.00 32.86 ? 360 ARG A C 1 ATOM 2863 O O . ARG A 1 360 ? -16.240 22.854 14.585 1.00 35.51 ? 360 ARG A O 1 ATOM 2864 C CB . ARG A 1 360 ? -18.768 21.878 16.061 1.00 27.87 ? 360 ARG A CB 1 ATOM 2865 C CG . ARG A 1 360 ? -19.578 21.106 17.078 1.00 29.72 ? 360 ARG A CG 1 ATOM 2866 C CD . ARG A 1 360 ? -18.959 21.058 18.479 1.00 29.97 ? 360 ARG A CD 1 ATOM 2867 N NE . ARG A 1 360 ? -18.765 22.383 19.041 1.00 35.11 ? 360 ARG A NE 1 ATOM 2868 C CZ . ARG A 1 360 ? -19.711 23.166 19.579 1.00 38.52 ? 360 ARG A CZ 1 ATOM 2869 N NH1 . ARG A 1 360 ? -20.970 22.773 19.692 1.00 36.95 ? 360 ARG A NH1 1 ATOM 2870 N NH2 . ARG A 1 360 ? -19.364 24.369 20.032 1.00 39.74 ? 360 ARG A NH2 1 ATOM 2871 N N . LEU A 1 361 ? -17.162 21.477 13.054 1.00 35.44 ? 361 LEU A N 1 ATOM 2872 C CA . LEU A 1 361 ? -16.525 22.130 11.894 1.00 34.99 ? 361 LEU A CA 1 ATOM 2873 C C . LEU A 1 361 ? -17.579 22.551 10.880 1.00 38.41 ? 361 LEU A C 1 ATOM 2874 O O . LEU A 1 361 ? -18.668 21.996 10.873 1.00 34.99 ? 361 LEU A O 1 ATOM 2875 C CB . LEU A 1 361 ? -15.570 21.192 11.171 1.00 34.32 ? 361 LEU A CB 1 ATOM 2876 C CG . LEU A 1 361 ? -14.426 20.519 11.931 1.00 32.59 ? 361 LEU A CG 1 ATOM 2877 C CD1 . LEU A 1 361 ? -13.758 19.485 11.068 1.00 31.29 ? 361 LEU A CD1 1 ATOM 2878 C CD2 . LEU A 1 361 ? -13.439 21.561 12.398 1.00 32.20 ? 361 LEU A CD2 1 ATOM 2879 N N . ASP A 1 362 ? -17.235 23.520 10.009 1.00 39.96 ? 362 ASP A N 1 ATOM 2880 C CA . ASP A 1 362 ? -18.207 24.090 9.045 1.00 43.33 ? 362 ASP A CA 1 ATOM 2881 C C . ASP A 1 362 ? -17.988 23.526 7.644 1.00 44.99 ? 362 ASP A C 1 ATOM 2882 O O . ASP A 1 362 ? -17.156 22.655 7.490 1.00 39.40 ? 362 ASP A O 1 ATOM 2883 C CB . ASP A 1 362 ? -18.142 25.632 9.062 1.00 45.81 ? 362 ASP A CB 1 ATOM 2884 C CG . ASP A 1 362 ? -16.831 26.204 8.509 1.00 46.15 ? 362 ASP A CG 1 ATOM 2885 O OD1 . ASP A 1 362 ? -15.949 25.493 7.984 1.00 47.92 ? 362 ASP A OD1 1 ATOM 2886 O OD2 . ASP A 1 362 ? -16.651 27.431 8.637 1.00 54.45 ? 362 ASP A OD2 1 ATOM 2887 N N . GLU A 1 363 ? -18.649 24.086 6.610 1.00 44.28 ? 363 GLU A N 1 ATOM 2888 C CA . GLU A 1 363 ? -18.595 23.529 5.237 1.00 44.56 ? 363 GLU A CA 1 ATOM 2889 C C . GLU A 1 363 ? -17.203 23.583 4.610 1.00 40.73 ? 363 GLU A C 1 ATOM 2890 O O . GLU A 1 363 ? -16.856 22.769 3.780 1.00 44.96 ? 363 GLU A O 1 ATOM 2891 C CB . GLU A 1 363 ? -19.645 24.179 4.304 1.00 47.30 ? 363 GLU A CB 1 ATOM 2892 C CG . GLU A 1 363 ? -21.108 23.915 4.714 1.00 50.08 ? 363 GLU A CG 1 ATOM 2893 C CD . GLU A 1 363 ? -21.653 24.878 5.766 1.00 48.10 ? 363 GLU A CD 1 ATOM 2894 O OE1 . GLU A 1 363 ? -20.860 25.682 6.277 1.00 55.47 ? 363 GLU A OE1 1 ATOM 2895 O OE2 . GLU A 1 363 ? -22.857 24.821 6.122 1.00 55.16 ? 363 GLU A OE2 1 ATOM 2896 N N . ASN A 1 364 ? -16.380 24.497 5.074 1.00 40.66 ? 364 ASN A N 1 ATOM 2897 C CA . ASN A 1 364 ? -15.016 24.549 4.658 1.00 42.14 ? 364 ASN A CA 1 ATOM 2898 C C . ASN A 1 364 ? -14.182 23.755 5.655 1.00 38.65 ? 364 ASN A C 1 ATOM 2899 O O . ASN A 1 364 ? -12.978 23.798 5.611 1.00 39.64 ? 364 ASN A O 1 ATOM 2900 C CB . ASN A 1 364 ? -14.547 25.997 4.562 1.00 46.20 ? 364 ASN A CB 1 ATOM 2901 C CG . ASN A 1 364 ? -15.480 26.880 3.729 1.00 44.88 ? 364 ASN A CG 1 ATOM 2902 O OD1 . ASN A 1 364 ? -16.308 26.408 2.961 1.00 50.28 ? 364 ASN A OD1 1 ATOM 2903 N ND2 . ASN A 1 364 ? -15.353 28.162 3.913 1.00 45.47 ? 364 ASN A ND2 1 ATOM 2904 N N . TYR A 1 365 ? -14.835 22.991 6.526 1.00 41.68 ? 365 TYR A N 1 ATOM 2905 C CA . TYR A 1 365 ? -14.128 22.126 7.506 1.00 37.53 ? 365 TYR A CA 1 ATOM 2906 C C . TYR A 1 365 ? -13.213 22.962 8.392 1.00 37.83 ? 365 TYR A C 1 ATOM 2907 O O . TYR A 1 365 ? -12.102 22.553 8.698 1.00 33.96 ? 365 TYR A O 1 ATOM 2908 C CB . TYR A 1 365 ? -13.398 20.954 6.822 1.00 36.63 ? 365 TYR A CB 1 ATOM 2909 C CG . TYR A 1 365 ? -14.314 19.822 6.460 1.00 37.00 ? 365 TYR A CG 1 ATOM 2910 C CD1 . TYR A 1 365 ? -15.143 19.898 5.340 1.00 40.84 ? 365 TYR A CD1 1 ATOM 2911 C CD2 . TYR A 1 365 ? -14.371 18.683 7.244 1.00 37.93 ? 365 TYR A CD2 1 ATOM 2912 C CE1 . TYR A 1 365 ? -16.006 18.876 5.015 1.00 38.22 ? 365 TYR A CE1 1 ATOM 2913 C CE2 . TYR A 1 365 ? -15.208 17.642 6.922 1.00 37.22 ? 365 TYR A CE2 1 ATOM 2914 C CZ . TYR A 1 365 ? -16.029 17.744 5.817 1.00 39.78 ? 365 TYR A CZ 1 ATOM 2915 O OH . TYR A 1 365 ? -16.872 16.713 5.537 1.00 38.66 ? 365 TYR A OH 1 ATOM 2916 N N . GLN A 1 366 ? -13.712 24.143 8.777 1.00 38.88 ? 366 GLN A N 1 ATOM 2917 C CA . GLN A 1 366 ? -12.999 25.092 9.623 1.00 40.29 ? 366 GLN A CA 1 ATOM 2918 C C . GLN A 1 366 ? -13.776 25.171 10.902 1.00 38.78 ? 366 GLN A C 1 ATOM 2919 O O . GLN A 1 366 ? -14.980 24.881 10.926 1.00 36.52 ? 366 GLN A O 1 ATOM 2920 C CB . GLN A 1 366 ? -13.009 26.509 9.041 1.00 45.55 ? 366 GLN A CB 1 ATOM 2921 C CG . GLN A 1 366 ? -12.618 26.625 7.592 1.00 49.13 ? 366 GLN A CG 1 ATOM 2922 C CD . GLN A 1 366 ? -11.142 26.590 7.381 1.00 52.27 ? 366 GLN A CD 1 ATOM 2923 O OE1 . GLN A 1 366 ? -10.396 26.072 8.208 1.00 54.26 ? 366 GLN A OE1 1 ATOM 2924 N NE2 . GLN A 1 366 ? -10.696 27.134 6.244 1.00 66.13 ? 366 GLN A NE2 1 ATOM 2925 N N . PRO A 1 367 ? -13.123 25.659 11.966 1.00 38.87 ? 367 PRO A N 1 ATOM 2926 C CA . PRO A 1 367 ? -13.840 25.804 13.231 1.00 38.61 ? 367 PRO A CA 1 ATOM 2927 C C . PRO A 1 367 ? -15.223 26.420 13.067 1.00 43.21 ? 367 PRO A C 1 ATOM 2928 O O . PRO A 1 367 ? -15.374 27.443 12.369 1.00 44.04 ? 367 PRO A O 1 ATOM 2929 C CB . PRO A 1 367 ? -12.949 26.750 14.023 1.00 40.58 ? 367 PRO A CB 1 ATOM 2930 C CG . PRO A 1 367 ? -11.594 26.464 13.509 1.00 38.68 ? 367 PRO A CG 1 ATOM 2931 C CD . PRO A 1 367 ? -11.758 26.178 12.052 1.00 38.65 ? 367 PRO A CD 1 ATOM 2932 N N . TRP A 1 368 ? -16.210 25.777 13.689 1.00 38.92 ? 368 TRP A N 1 ATOM 2933 C CA . TRP A 1 368 ? -17.583 26.232 13.726 1.00 42.20 ? 368 TRP A CA 1 ATOM 2934 C C . TRP A 1 368 ? -17.892 26.974 15.039 1.00 46.76 ? 368 TRP A C 1 ATOM 2935 O O . TRP A 1 368 ? -18.057 26.355 16.101 1.00 48.48 ? 368 TRP A O 1 ATOM 2936 C CB . TRP A 1 368 ? -18.493 25.024 13.541 1.00 41.87 ? 368 TRP A CB 1 ATOM 2937 C CG . TRP A 1 368 ? -19.924 25.339 13.285 1.00 40.14 ? 368 TRP A CG 1 ATOM 2938 C CD1 . TRP A 1 368 ? -20.543 25.523 12.074 1.00 43.44 ? 368 TRP A CD1 1 ATOM 2939 C CD2 . TRP A 1 368 ? -20.927 25.470 14.278 1.00 39.02 ? 368 TRP A CD2 1 ATOM 2940 N NE1 . TRP A 1 368 ? -21.887 25.741 12.265 1.00 43.65 ? 368 TRP A NE1 1 ATOM 2941 C CE2 . TRP A 1 368 ? -22.140 25.718 13.618 1.00 44.96 ? 368 TRP A CE2 1 ATOM 2942 C CE3 . TRP A 1 368 ? -20.920 25.362 15.674 1.00 41.56 ? 368 TRP A CE3 1 ATOM 2943 C CZ2 . TRP A 1 368 ? -23.324 25.902 14.315 1.00 44.92 ? 368 TRP A CZ2 1 ATOM 2944 C CZ3 . TRP A 1 368 ? -22.065 25.517 16.346 1.00 41.16 ? 368 TRP A CZ3 1 ATOM 2945 C CH2 . TRP A 1 368 ? -23.264 25.809 15.679 1.00 43.03 ? 368 TRP A CH2 1 ATOM 2946 N N . GLY A 1 369 ? -17.975 28.312 14.947 1.00 45.21 ? 369 GLY A N 1 ATOM 2947 C CA . GLY A 1 369 ? -18.106 29.202 16.108 1.00 45.55 ? 369 GLY A CA 1 ATOM 2948 C C . GLY A 1 369 ? -16.784 29.407 16.845 1.00 48.49 ? 369 GLY A C 1 ATOM 2949 O O . GLY A 1 369 ? -15.770 28.799 16.491 1.00 55.13 ? 369 GLY A O 1 ATOM 2950 N N . PRO A 1 370 ? -16.784 30.240 17.905 1.00 51.97 ? 370 PRO A N 1 ATOM 2951 C CA . PRO A 1 370 ? -15.588 30.496 18.716 1.00 51.48 ? 370 PRO A CA 1 ATOM 2952 C C . PRO A 1 370 ? -15.243 29.393 19.750 1.00 45.87 ? 370 PRO A C 1 ATOM 2953 O O . PRO A 1 370 ? -14.089 29.341 20.211 1.00 46.75 ? 370 PRO A O 1 ATOM 2954 C CB . PRO A 1 370 ? -15.943 31.798 19.443 1.00 54.82 ? 370 PRO A CB 1 ATOM 2955 C CG . PRO A 1 370 ? -17.421 31.700 19.638 1.00 58.20 ? 370 PRO A CG 1 ATOM 2956 C CD . PRO A 1 370 ? -17.981 30.879 18.497 1.00 55.96 ? 370 PRO A CD 1 ATOM 2957 N N . GLU A 1 371 ? -16.206 28.540 20.111 1.00 42.98 ? 371 GLU A N 1 ATOM 2958 C CA . GLU A 1 371 ? -15.925 27.341 20.954 1.00 47.25 ? 371 GLU A CA 1 ATOM 2959 C C . GLU A 1 371 ? -16.111 26.065 20.125 1.00 42.07 ? 371 GLU A C 1 ATOM 2960 O O . GLU A 1 371 ? -16.841 25.130 20.513 1.00 40.34 ? 371 GLU A O 1 ATOM 2961 C CB . GLU A 1 371 ? -16.816 27.279 22.202 1.00 50.56 ? 371 GLU A CB 1 ATOM 2962 C CG . GLU A 1 371 ? -16.496 28.311 23.280 1.00 54.40 ? 371 GLU A CG 1 ATOM 2963 C CD . GLU A 1 371 ? -17.317 29.576 23.186 1.00 59.20 ? 371 GLU A CD 1 ATOM 2964 O OE1 . GLU A 1 371 ? -18.339 29.596 22.455 1.00 60.23 ? 371 GLU A OE1 1 ATOM 2965 O OE2 . GLU A 1 371 ? -16.929 30.559 23.849 1.00 64.86 ? 371 GLU A OE2 1 ATOM 2966 N N . ALA A 1 372 ? -15.471 26.025 18.973 1.00 36.03 ? 372 ALA A N 1 ATOM 2967 C CA . ALA A 1 372 ? -15.725 24.914 18.064 1.00 36.36 ? 372 ALA A CA 1 ATOM 2968 C C . ALA A 1 372 ? -15.211 23.602 18.705 1.00 32.32 ? 372 ALA A C 1 ATOM 2969 O O . ALA A 1 372 ? -15.831 22.580 18.548 1.00 35.85 ? 372 ALA A O 1 ATOM 2970 C CB . ALA A 1 372 ? -15.090 25.151 16.713 1.00 34.77 ? 372 ALA A CB 1 ATOM 2971 N N . GLU A 1 373 ? -14.102 23.686 19.444 1.00 36.21 ? 373 GLU A N 1 ATOM 2972 C CA . GLU A 1 373 ? -13.434 22.548 20.080 1.00 32.14 ? 373 GLU A CA 1 ATOM 2973 C C . GLU A 1 373 ? -13.783 22.601 21.549 1.00 32.12 ? 373 GLU A C 1 ATOM 2974 O O . GLU A 1 373 ? -13.743 23.659 22.137 1.00 32.55 ? 373 GLU A O 1 ATOM 2975 C CB . GLU A 1 373 ? -11.946 22.670 19.883 1.00 34.95 ? 373 GLU A CB 1 ATOM 2976 C CG . GLU A 1 373 ? -11.140 21.464 20.328 1.00 39.04 ? 373 GLU A CG 1 ATOM 2977 C CD . GLU A 1 373 ? -9.667 21.783 20.350 1.00 44.44 ? 373 GLU A CD 1 ATOM 2978 O OE1 . GLU A 1 373 ? -9.142 22.158 21.428 1.00 50.78 ? 373 GLU A OE1 1 ATOM 2979 O OE2 . GLU A 1 373 ? -9.070 21.755 19.268 1.00 50.10 ? 373 GLU A OE2 1 ATOM 2980 N N . LEU A 1 374 ? -14.188 21.474 22.111 1.00 27.55 ? 374 LEU A N 1 ATOM 2981 C CA . LEU A 1 374 ? -14.648 21.363 23.499 1.00 26.68 ? 374 LEU A CA 1 ATOM 2982 C C . LEU A 1 374 ? -13.995 20.148 24.158 1.00 24.54 ? 374 LEU A C 1 ATOM 2983 O O . LEU A 1 374 ? -13.656 19.185 23.448 1.00 21.57 ? 374 LEU A O 1 ATOM 2984 C CB . LEU A 1 374 ? -16.182 21.196 23.521 1.00 28.13 ? 374 LEU A CB 1 ATOM 2985 C CG . LEU A 1 374 ? -16.876 22.398 22.870 1.00 30.13 ? 374 LEU A CG 1 ATOM 2986 C CD1 . LEU A 1 374 ? -18.333 22.120 22.565 1.00 31.81 ? 374 LEU A CD1 1 ATOM 2987 C CD2 . LEU A 1 374 ? -16.718 23.599 23.784 1.00 30.26 ? 374 LEU A CD2 1 ATOM 2988 N N . PRO A 1 375 ? -13.797 20.195 25.487 1.00 24.04 ? 375 PRO A N 1 ATOM 2989 C CA . PRO A 1 375 ? -13.206 19.049 26.135 1.00 22.54 ? 375 PRO A CA 1 ATOM 2990 C C . PRO A 1 375 ? -14.259 17.974 26.134 1.00 23.41 ? 375 PRO A C 1 ATOM 2991 O O . PRO A 1 375 ? -15.483 18.290 26.234 1.00 21.39 ? 375 PRO A O 1 ATOM 2992 C CB . PRO A 1 375 ? -12.912 19.505 27.589 1.00 21.82 ? 375 PRO A CB 1 ATOM 2993 C CG . PRO A 1 375 ? -12.974 20.951 27.546 1.00 24.76 ? 375 PRO A CG 1 ATOM 2994 C CD . PRO A 1 375 ? -13.927 21.334 26.429 1.00 24.34 ? 375 PRO A CD 1 ATOM 2995 N N . LEU A 1 376 ? -13.795 16.730 26.003 1.00 22.96 ? 376 LEU A N 1 ATOM 2996 C CA . LEU A 1 376 ? -14.694 15.592 25.814 1.00 22.66 ? 376 LEU A CA 1 ATOM 2997 C C . LEU A 1 376 ? -15.627 15.517 27.044 1.00 23.42 ? 376 LEU A C 1 ATOM 2998 O O . LEU A 1 376 ? -16.813 15.273 26.900 1.00 23.75 ? 376 LEU A O 1 ATOM 2999 C CB . LEU A 1 376 ? -13.847 14.331 25.732 1.00 22.84 ? 376 LEU A CB 1 ATOM 3000 C CG . LEU A 1 376 ? -14.600 12.979 25.767 1.00 22.42 ? 376 LEU A CG 1 ATOM 3001 C CD1 . LEU A 1 376 ? -15.386 12.835 24.513 1.00 22.52 ? 376 LEU A CD1 1 ATOM 3002 C CD2 . LEU A 1 376 ? -13.640 11.849 25.971 1.00 22.73 ? 376 LEU A CD2 1 ATOM 3003 N N . HIS A 1 377 ? -15.109 15.781 28.237 1.00 23.17 ? 377 HIS A N 1 ATOM 3004 C CA . HIS A 1 377 ? -15.895 15.552 29.441 1.00 26.96 ? 377 HIS A CA 1 ATOM 3005 C C . HIS A 1 377 ? -17.168 16.454 29.484 1.00 29.17 ? 377 HIS A C 1 ATOM 3006 O O . HIS A 1 377 ? -18.191 16.043 30.022 1.00 30.54 ? 377 HIS A O 1 ATOM 3007 C CB . HIS A 1 377 ? -15.071 15.667 30.686 1.00 27.33 ? 377 HIS A CB 1 ATOM 3008 C CG . HIS A 1 377 ? -14.936 17.058 31.207 1.00 29.14 ? 377 HIS A CG 1 ATOM 3009 N ND1 . HIS A 1 377 ? -13.823 17.832 30.977 1.00 34.76 ? 377 HIS A ND1 1 ATOM 3010 C CD2 . HIS A 1 377 ? -15.743 17.788 32.019 1.00 33.52 ? 377 HIS A CD2 1 ATOM 3011 C CE1 . HIS A 1 377 ? -13.961 18.995 31.592 1.00 31.52 ? 377 HIS A CE1 1 ATOM 3012 N NE2 . HIS A 1 377 ? -15.114 18.983 32.239 1.00 31.66 ? 377 HIS A NE2 1 ATOM 3013 N N . THR A 1 378 ? -17.121 17.620 28.837 1.00 25.59 ? 378 THR A N 1 ATOM 3014 C CA . THR A 1 378 ? -18.327 18.462 28.768 1.00 28.94 ? 378 THR A CA 1 ATOM 3015 C C . THR A 1 378 ? -19.386 17.910 27.798 1.00 30.16 ? 378 THR A C 1 ATOM 3016 O O . THR A 1 378 ? -20.481 18.520 27.676 1.00 25.58 ? 378 THR A O 1 ATOM 3017 C CB . THR A 1 378 ? -18.011 19.910 28.360 1.00 25.09 ? 378 THR A CB 1 ATOM 3018 O OG1 . THR A 1 378 ? -17.600 19.955 26.997 1.00 23.91 ? 378 THR A OG1 1 ATOM 3019 C CG2 . THR A 1 378 ? -16.946 20.492 29.245 1.00 26.74 ? 378 THR A CG2 1 ATOM 3020 N N . LEU A 1 379 ? -19.082 16.799 27.098 1.00 24.95 ? 379 LEU A N 1 ATOM 3021 C CA . LEU A 1 379 ? -20.004 16.248 26.118 1.00 27.34 ? 379 LEU A CA 1 ATOM 3022 C C . LEU A 1 379 ? -20.603 14.899 26.502 1.00 24.94 ? 379 LEU A C 1 ATOM 3023 O O . LEU A 1 379 ? -21.381 14.307 25.728 1.00 24.05 ? 379 LEU A O 1 ATOM 3024 C CB . LEU A 1 379 ? -19.332 16.181 24.750 1.00 26.84 ? 379 LEU A CB 1 ATOM 3025 C CG . LEU A 1 379 ? -18.773 17.524 24.356 1.00 31.62 ? 379 LEU A CG 1 ATOM 3026 C CD1 . LEU A 1 379 ? -17.731 17.393 23.262 1.00 32.37 ? 379 LEU A CD1 1 ATOM 3027 C CD2 . LEU A 1 379 ? -19.864 18.507 23.966 1.00 29.08 ? 379 LEU A CD2 1 ATOM 3028 N N . PHE A 1 380 ? -20.308 14.462 27.705 1.00 25.34 ? 380 PHE A N 1 ATOM 3029 C CA . PHE A 1 380 ? -20.942 13.325 28.258 1.00 28.43 ? 380 PHE A CA 1 ATOM 3030 C C . PHE A 1 380 ? -22.403 13.695 28.606 1.00 30.67 ? 380 PHE A C 1 ATOM 3031 O O . PHE A 1 380 ? -22.669 14.720 29.230 1.00 32.78 ? 380 PHE A O 1 ATOM 3032 C CB . PHE A 1 380 ? -20.263 12.870 29.530 1.00 26.59 ? 380 PHE A CB 1 ATOM 3033 C CG . PHE A 1 380 ? -18.774 12.481 29.392 1.00 26.01 ? 380 PHE A CG 1 ATOM 3034 C CD1 . PHE A 1 380 ? -18.273 11.870 28.273 1.00 26.73 ? 380 PHE A CD1 1 ATOM 3035 C CD2 . PHE A 1 380 ? -17.909 12.679 30.479 1.00 23.87 ? 380 PHE A CD2 1 ATOM 3036 C CE1 . PHE A 1 380 ? -16.925 11.523 28.205 1.00 25.10 ? 380 PHE A CE1 1 ATOM 3037 C CE2 . PHE A 1 380 ? -16.567 12.312 30.431 1.00 26.13 ? 380 PHE A CE2 1 ATOM 3038 C CZ . PHE A 1 380 ? -16.089 11.701 29.289 1.00 23.95 ? 380 PHE A CZ 1 ATOM 3039 N N . PHE A 1 381 ? -23.308 12.831 28.226 1.00 28.18 ? 381 PHE A N 1 ATOM 3040 C CA . PHE A 1 381 ? -24.761 13.031 28.425 1.00 33.15 ? 381 PHE A CA 1 ATOM 3041 C C . PHE A 1 381 ? -25.331 14.341 27.825 1.00 33.81 ? 381 PHE A C 1 ATOM 3042 O O . PHE A 1 381 ? -26.352 14.876 28.242 1.00 31.09 ? 381 PHE A O 1 ATOM 3043 C CB . PHE A 1 381 ? -25.117 12.748 29.863 1.00 30.59 ? 381 PHE A CB 1 ATOM 3044 C CG . PHE A 1 381 ? -24.905 11.286 30.239 1.00 31.72 ? 381 PHE A CG 1 ATOM 3045 C CD1 . PHE A 1 381 ? -25.830 10.294 29.853 1.00 31.09 ? 381 PHE A CD1 1 ATOM 3046 C CD2 . PHE A 1 381 ? -23.799 10.898 30.956 1.00 30.02 ? 381 PHE A CD2 1 ATOM 3047 C CE1 . PHE A 1 381 ? -25.635 8.952 30.167 1.00 32.54 ? 381 PHE A CE1 1 ATOM 3048 C CE2 . PHE A 1 381 ? -23.595 9.544 31.282 1.00 34.29 ? 381 PHE A CE2 1 ATOM 3049 C CZ . PHE A 1 381 ? -24.525 8.564 30.877 1.00 32.07 ? 381 PHE A CZ 1 ATOM 3050 N N . ASN A 1 382 ? -24.693 14.770 26.748 1.00 36.45 ? 382 ASN A N 1 ATOM 3051 C CA . ASN A 1 382 ? -24.944 16.057 26.173 1.00 34.82 ? 382 ASN A CA 1 ATOM 3052 C C . ASN A 1 382 ? -25.748 15.929 24.903 1.00 35.22 ? 382 ASN A C 1 ATOM 3053 O O . ASN A 1 382 ? -25.226 15.636 23.806 1.00 34.88 ? 382 ASN A O 1 ATOM 3054 C CB . ASN A 1 382 ? -23.639 16.809 25.953 1.00 35.93 ? 382 ASN A CB 1 ATOM 3055 C CG . ASN A 1 382 ? -23.870 18.310 25.669 1.00 35.69 ? 382 ASN A CG 1 ATOM 3056 O OD1 . ASN A 1 382 ? -24.798 18.699 24.918 1.00 33.80 ? 382 ASN A OD1 1 ATOM 3057 N ND2 . ASN A 1 382 ? -23.018 19.133 26.228 1.00 31.55 ? 382 ASN A ND2 1 ATOM 3058 N N . THR A 1 383 ? -27.045 16.176 25.063 1.00 33.42 ? 383 THR A N 1 ATOM 3059 C CA . THR A 1 383 ? -27.930 16.322 23.917 1.00 34.58 ? 383 THR A CA 1 ATOM 3060 C C . THR A 1 383 ? -28.130 17.803 23.500 1.00 33.07 ? 383 THR A C 1 ATOM 3061 O O . THR A 1 383 ? -28.262 18.102 22.289 1.00 33.94 ? 383 THR A O 1 ATOM 3062 C CB . THR A 1 383 ? -29.275 15.662 24.185 1.00 33.34 ? 383 THR A CB 1 ATOM 3063 O OG1 . THR A 1 383 ? -29.739 16.089 25.471 1.00 38.35 ? 383 THR A OG1 1 ATOM 3064 C CG2 . THR A 1 383 ? -29.138 14.087 24.152 1.00 39.04 ? 383 THR A CG2 1 ATOM 3065 N N . TRP A 1 384 ? -28.108 18.713 24.453 1.00 35.53 ? 384 TRP A N 1 ATOM 3066 C CA . TRP A 1 384 ? -28.381 20.124 24.139 1.00 35.18 ? 384 TRP A CA 1 ATOM 3067 C C . TRP A 1 384 ? -27.436 20.747 23.137 1.00 37.15 ? 384 TRP A C 1 ATOM 3068 O O . TRP A 1 384 ? -27.882 21.486 22.237 1.00 40.34 ? 384 TRP A O 1 ATOM 3069 C CB . TRP A 1 384 ? -28.438 20.960 25.415 1.00 38.75 ? 384 TRP A CB 1 ATOM 3070 C CG . TRP A 1 384 ? -27.142 21.278 26.082 1.00 36.56 ? 384 TRP A CG 1 ATOM 3071 C CD1 . TRP A 1 384 ? -26.601 20.653 27.143 1.00 31.33 ? 384 TRP A CD1 1 ATOM 3072 C CD2 . TRP A 1 384 ? -26.268 22.345 25.754 1.00 39.30 ? 384 TRP A CD2 1 ATOM 3073 N NE1 . TRP A 1 384 ? -25.440 21.237 27.495 1.00 34.09 ? 384 TRP A NE1 1 ATOM 3074 C CE2 . TRP A 1 384 ? -25.204 22.295 26.657 1.00 36.08 ? 384 TRP A CE2 1 ATOM 3075 C CE3 . TRP A 1 384 ? -26.281 23.342 24.777 1.00 43.24 ? 384 TRP A CE3 1 ATOM 3076 C CZ2 . TRP A 1 384 ? -24.154 23.193 26.625 1.00 38.28 ? 384 TRP A CZ2 1 ATOM 3077 C CZ3 . TRP A 1 384 ? -25.213 24.245 24.748 1.00 44.17 ? 384 TRP A CZ3 1 ATOM 3078 C CH2 . TRP A 1 384 ? -24.176 24.163 25.671 1.00 38.28 ? 384 TRP A CH2 1 ATOM 3079 N N . ARG A 1 385 ? -26.140 20.436 23.232 1.00 37.37 ? 385 ARG A N 1 ATOM 3080 C CA . ARG A 1 385 ? -25.167 20.839 22.175 1.00 34.82 ? 385 ARG A CA 1 ATOM 3081 C C . ARG A 1 385 ? -25.492 20.408 20.768 1.00 35.23 ? 385 ARG A C 1 ATOM 3082 O O . ARG A 1 385 ? -24.961 20.979 19.814 1.00 36.13 ? 385 ARG A O 1 ATOM 3083 C CB . ARG A 1 385 ? -23.761 20.332 22.479 1.00 37.52 ? 385 ARG A CB 1 ATOM 3084 C CG . ARG A 1 385 ? -23.072 21.067 23.600 1.00 37.45 ? 385 ARG A CG 1 ATOM 3085 C CD . ARG A 1 385 ? -22.335 22.284 23.083 1.00 35.62 ? 385 ARG A CD 1 ATOM 3086 N NE . ARG A 1 385 ? -21.487 22.908 24.113 1.00 37.89 ? 385 ARG A NE 1 ATOM 3087 C CZ . ARG A 1 385 ? -20.976 24.159 24.050 1.00 41.01 ? 385 ARG A CZ 1 ATOM 3088 N NH1 . ARG A 1 385 ? -21.241 24.974 23.023 1.00 42.07 ? 385 ARG A NH1 1 ATOM 3089 N NH2 . ARG A 1 385 ? -20.217 24.609 25.039 1.00 43.01 ? 385 ARG A NH2 1 ATOM 3090 N N . ILE A 1 386 ? -26.303 19.369 20.594 1.00 32.72 ? 386 ILE A N 1 ATOM 3091 C CA . ILE A 1 386 ? -26.681 18.983 19.266 1.00 41.28 ? 386 ILE A CA 1 ATOM 3092 C C . ILE A 1 386 ? -27.851 19.868 18.786 1.00 44.51 ? 386 ILE A C 1 ATOM 3093 O O . ILE A 1 386 ? -27.786 20.437 17.707 1.00 50.25 ? 386 ILE A O 1 ATOM 3094 C CB . ILE A 1 386 ? -27.103 17.514 19.166 1.00 39.91 ? 386 ILE A CB 1 ATOM 3095 C CG1 . ILE A 1 386 ? -25.921 16.599 19.521 1.00 43.43 ? 386 ILE A CG1 1 ATOM 3096 C CG2 . ILE A 1 386 ? -27.608 17.220 17.744 1.00 41.19 ? 386 ILE A CG2 1 ATOM 3097 C CD1 . ILE A 1 386 ? -26.226 15.111 19.372 1.00 44.04 ? 386 ILE A CD1 1 ATOM 3098 N N . ILE A 1 387 ? -28.899 19.938 19.592 1.00 45.00 ? 387 ILE A N 1 ATOM 3099 C CA . ILE A 1 387 ? -30.178 20.507 19.153 1.00 53.39 ? 387 ILE A CA 1 ATOM 3100 C C . ILE A 1 387 ? -30.111 22.021 19.070 1.00 56.70 ? 387 ILE A C 1 ATOM 3101 O O . ILE A 1 387 ? -30.640 22.621 18.123 1.00 63.19 ? 387 ILE A O 1 ATOM 3102 C CB . ILE A 1 387 ? -31.320 20.078 20.094 1.00 57.21 ? 387 ILE A CB 1 ATOM 3103 C CG1 . ILE A 1 387 ? -31.568 18.579 19.933 1.00 55.05 ? 387 ILE A CG1 1 ATOM 3104 C CG2 . ILE A 1 387 ? -32.619 20.854 19.813 1.00 62.71 ? 387 ILE A CG2 1 ATOM 3105 C CD1 . ILE A 1 387 ? -32.212 17.956 21.142 1.00 56.56 ? 387 ILE A CD1 1 ATOM 3106 N N . LYS A 1 388 ? -29.438 22.613 20.049 1.00 57.39 ? 388 LYS A N 1 ATOM 3107 C CA . LYS A 1 388 ? -29.313 24.056 20.173 1.00 58.63 ? 388 LYS A CA 1 ATOM 3108 C C . LYS A 1 388 ? -27.926 24.624 19.739 1.00 58.02 ? 388 LYS A C 1 ATOM 3109 O O . LYS A 1 388 ? -27.652 25.788 20.020 1.00 57.13 ? 388 LYS A O 1 ATOM 3110 C CB . LYS A 1 388 ? -29.630 24.444 21.631 1.00 58.37 ? 388 LYS A CB 1 ATOM 3111 C CG . LYS A 1 388 ? -31.078 24.214 22.070 1.00 64.45 ? 388 LYS A CG 1 ATOM 3112 C CD . LYS A 1 388 ? -31.224 24.284 23.590 1.00 71.40 ? 388 LYS A CD 1 ATOM 3113 C CE . LYS A 1 388 ? -32.510 24.969 24.044 1.00 79.96 ? 388 LYS A CE 1 ATOM 3114 N NZ . LYS A 1 388 ? -32.350 26.460 24.045 1.00 84.87 ? 388 LYS A NZ 1 ATOM 3115 N N . ASP A 1 389 ? -27.068 23.835 19.069 1.00 49.01 ? 389 ASP A N 1 ATOM 3116 C CA . ASP A 1 389 ? -25.706 24.297 18.676 1.00 41.07 ? 389 ASP A CA 1 ATOM 3117 C C . ASP A 1 389 ? -25.248 23.732 17.331 1.00 39.96 ? 389 ASP A C 1 ATOM 3118 O O . ASP A 1 389 ? -24.035 23.438 17.117 1.00 38.83 ? 389 ASP A O 1 ATOM 3119 C CB . ASP A 1 389 ? -24.689 24.025 19.811 1.00 46.68 ? 389 ASP A CB 1 ATOM 3120 C CG . ASP A 1 389 ? -23.454 24.926 19.764 1.00 51.83 ? 389 ASP A CG 1 ATOM 3121 O OD1 . ASP A 1 389 ? -23.375 25.807 18.892 1.00 55.91 ? 389 ASP A OD1 1 ATOM 3122 O OD2 . ASP A 1 389 ? -22.552 24.758 20.625 1.00 47.60 ? 389 ASP A OD2 1 ATOM 3123 N N . GLY A 1 390 ? -26.209 23.613 16.403 1.00 38.73 ? 390 GLY A N 1 ATOM 3124 C CA . GLY A 1 390 ? -25.918 23.350 14.975 1.00 42.07 ? 390 GLY A CA 1 ATOM 3125 C C . GLY A 1 390 ? -26.274 21.989 14.432 1.00 42.43 ? 390 GLY A C 1 ATOM 3126 O O . GLY A 1 390 ? -25.910 21.674 13.296 1.00 48.62 ? 390 GLY A O 1 ATOM 3127 N N . GLY A 1 391 ? -27.021 21.191 15.213 1.00 47.61 ? 391 GLY A N 1 ATOM 3128 C CA . GLY A 1 391 ? -27.361 19.807 14.822 1.00 45.42 ? 391 GLY A CA 1 ATOM 3129 C C . GLY A 1 391 ? -26.130 18.922 14.647 1.00 38.53 ? 391 GLY A C 1 ATOM 3130 O O . GLY A 1 391 ? -25.063 19.229 15.164 1.00 41.87 ? 391 GLY A O 1 ATOM 3131 N N . ILE A 1 392 ? -26.271 17.852 13.900 1.00 35.08 ? 392 ILE A N 1 ATOM 3132 C CA . ILE A 1 392 ? -25.173 16.898 13.823 1.00 41.97 ? 392 ILE A CA 1 ATOM 3133 C C . ILE A 1 392 ? -24.138 17.160 12.768 1.00 40.80 ? 392 ILE A C 1 ATOM 3134 O O . ILE A 1 392 ? -23.027 16.582 12.829 1.00 41.01 ? 392 ILE A O 1 ATOM 3135 C CB . ILE A 1 392 ? -25.660 15.441 13.698 1.00 41.54 ? 392 ILE A CB 1 ATOM 3136 C CG1 . ILE A 1 392 ? -26.289 15.167 12.325 1.00 43.85 ? 392 ILE A CG1 1 ATOM 3137 C CG2 . ILE A 1 392 ? -26.567 15.104 14.876 1.00 37.65 ? 392 ILE A CG2 1 ATOM 3138 C CD1 . ILE A 1 392 ? -26.442 13.676 12.045 1.00 47.16 ? 392 ILE A CD1 1 ATOM 3139 N N . ASP A 1 393 ? -24.452 17.981 11.770 1.00 39.23 ? 393 ASP A N 1 ATOM 3140 C CA . ASP A 1 393 ? -23.526 18.066 10.649 1.00 39.70 ? 393 ASP A CA 1 ATOM 3141 C C . ASP A 1 393 ? -22.147 18.557 11.081 1.00 39.21 ? 393 ASP A C 1 ATOM 3142 O O . ASP A 1 393 ? -21.158 18.040 10.587 1.00 34.04 ? 393 ASP A O 1 ATOM 3143 C CB . ASP A 1 393 ? -24.034 18.931 9.502 1.00 42.65 ? 393 ASP A CB 1 ATOM 3144 C CG . ASP A 1 393 ? -25.065 18.255 8.670 1.00 45.86 ? 393 ASP A CG 1 ATOM 3145 O OD1 . ASP A 1 393 ? -25.643 17.238 9.109 1.00 52.63 ? 393 ASP A OD1 1 ATOM 3146 O OD2 . ASP A 1 393 ? -25.298 18.750 7.555 1.00 44.42 ? 393 ASP A OD2 1 ATOM 3147 N N . PRO A 1 394 ? -22.076 19.573 11.978 1.00 36.12 ? 394 PRO A N 1 ATOM 3148 C CA . PRO A 1 394 ? -20.723 20.006 12.318 1.00 37.84 ? 394 PRO A CA 1 ATOM 3149 C C . PRO A 1 394 ? -19.874 18.909 13.056 1.00 35.18 ? 394 PRO A C 1 ATOM 3150 O O . PRO A 1 394 ? -18.643 18.874 12.894 1.00 35.05 ? 394 PRO A O 1 ATOM 3151 C CB . PRO A 1 394 ? -20.963 21.232 13.221 1.00 42.37 ? 394 PRO A CB 1 ATOM 3152 C CG . PRO A 1 394 ? -22.365 21.694 12.903 1.00 40.47 ? 394 PRO A CG 1 ATOM 3153 C CD . PRO A 1 394 ? -23.103 20.424 12.607 1.00 42.67 ? 394 PRO A CD 1 ATOM 3154 N N . LEU A 1 395 ? -20.553 18.101 13.867 1.00 33.70 ? 395 LEU A N 1 ATOM 3155 C CA . LEU A 1 395 ? -19.963 16.973 14.594 1.00 35.08 ? 395 LEU A CA 1 ATOM 3156 C C . LEU A 1 395 ? -19.508 15.870 13.660 1.00 33.18 ? 395 LEU A C 1 ATOM 3157 O O . LEU A 1 395 ? -18.441 15.269 13.886 1.00 32.30 ? 395 LEU A O 1 ATOM 3158 C CB . LEU A 1 395 ? -20.971 16.405 15.612 1.00 35.17 ? 395 LEU A CB 1 ATOM 3159 C CG . LEU A 1 395 ? -21.378 17.293 16.778 1.00 36.35 ? 395 LEU A CG 1 ATOM 3160 C CD1 . LEU A 1 395 ? -22.705 16.834 17.380 1.00 38.21 ? 395 LEU A CD1 1 ATOM 3161 C CD2 . LEU A 1 395 ? -20.311 17.304 17.866 1.00 36.48 ? 395 LEU A CD2 1 ATOM 3162 N N . VAL A 1 396 ? -20.324 15.574 12.646 1.00 29.73 ? 396 VAL A N 1 ATOM 3163 C CA . VAL A 1 396 ? -20.001 14.550 11.641 1.00 30.05 ? 396 VAL A CA 1 ATOM 3164 C C . VAL A 1 396 ? -18.761 14.932 10.882 1.00 27.81 ? 396 VAL A C 1 ATOM 3165 O O . VAL A 1 396 ? -17.938 14.085 10.566 1.00 28.04 ? 396 VAL A O 1 ATOM 3166 C CB . VAL A 1 396 ? -21.185 14.244 10.700 1.00 31.04 ? 396 VAL A CB 1 ATOM 3167 C CG1 . VAL A 1 396 ? -20.782 13.339 9.562 1.00 33.25 ? 396 VAL A CG1 1 ATOM 3168 C CG2 . VAL A 1 396 ? -22.282 13.591 11.466 1.00 30.84 ? 396 VAL A CG2 1 ATOM 3169 N N . ARG A 1 397 ? -18.567 16.221 10.598 1.00 28.23 ? 397 ARG A N 1 ATOM 3170 C CA . ARG A 1 397 ? -17.409 16.609 9.813 1.00 27.62 ? 397 ARG A CA 1 ATOM 3171 C C . ARG A 1 397 ? -16.195 16.461 10.728 1.00 26.58 ? 397 ARG A C 1 ATOM 3172 O O . ARG A 1 397 ? -15.134 16.137 10.282 1.00 26.07 ? 397 ARG A O 1 ATOM 3173 C CB . ARG A 1 397 ? -17.503 18.075 9.375 1.00 35.18 ? 397 ARG A CB 1 ATOM 3174 C CG . ARG A 1 397 ? -18.765 18.475 8.593 1.00 36.91 ? 397 ARG A CG 1 ATOM 3175 C CD . ARG A 1 397 ? -18.529 19.813 7.859 1.00 42.61 ? 397 ARG A CD 1 ATOM 3176 N NE . ARG A 1 397 ? -19.742 20.174 7.113 1.00 41.95 ? 397 ARG A NE 1 ATOM 3177 C CZ . ARG A 1 397 ? -20.762 20.848 7.611 1.00 43.78 ? 397 ARG A CZ 1 ATOM 3178 N NH1 . ARG A 1 397 ? -20.736 21.310 8.863 1.00 42.59 ? 397 ARG A NH1 1 ATOM 3179 N NH2 . ARG A 1 397 ? -21.817 21.087 6.836 1.00 48.05 ? 397 ARG A NH2 1 ATOM 3180 N N . GLY A 1 398 ? -16.382 16.738 12.013 1.00 27.85 ? 398 GLY A N 1 ATOM 3181 C CA . GLY A 1 398 ? -15.367 16.458 13.060 1.00 28.84 ? 398 GLY A CA 1 ATOM 3182 C C . GLY A 1 398 ? -14.983 14.990 13.071 1.00 27.24 ? 398 GLY A C 1 ATOM 3183 O O . GLY A 1 398 ? -13.817 14.672 13.035 1.00 25.87 ? 398 GLY A O 1 ATOM 3184 N N . LEU A 1 399 ? -15.993 14.116 13.042 1.00 30.50 ? 399 LEU A N 1 ATOM 3185 C CA . LEU A 1 399 ? -15.757 12.680 12.928 1.00 30.10 ? 399 LEU A CA 1 ATOM 3186 C C . LEU A 1 399 ? -14.853 12.319 11.704 1.00 30.83 ? 399 LEU A C 1 ATOM 3187 O O . LEU A 1 399 ? -13.982 11.433 11.829 1.00 21.18 ? 399 LEU A O 1 ATOM 3188 C CB . LEU A 1 399 ? -17.056 11.910 12.903 1.00 29.90 ? 399 LEU A CB 1 ATOM 3189 C CG . LEU A 1 399 ? -17.759 11.629 14.225 1.00 28.06 ? 399 LEU A CG 1 ATOM 3190 C CD1 . LEU A 1 399 ? -19.085 10.914 13.928 1.00 28.51 ? 399 LEU A CD1 1 ATOM 3191 C CD2 . LEU A 1 399 ? -16.863 10.786 15.158 1.00 26.18 ? 399 LEU A CD2 1 ATOM 3192 N N . LEU A 1 400 ? -15.050 12.982 10.544 1.00 28.32 ? 400 LEU A N 1 ATOM 3193 C CA . LEU A 1 400 ? -14.245 12.704 9.312 1.00 29.70 ? 400 LEU A CA 1 ATOM 3194 C C . LEU A 1 400 ? -12.875 13.327 9.308 1.00 28.04 ? 400 LEU A C 1 ATOM 3195 O O . LEU A 1 400 ? -11.843 12.729 8.831 1.00 29.55 ? 400 LEU A O 1 ATOM 3196 C CB . LEU A 1 400 ? -14.994 13.262 8.088 1.00 33.04 ? 400 LEU A CB 1 ATOM 3197 C CG . LEU A 1 400 ? -16.352 12.627 7.796 1.00 31.49 ? 400 LEU A CG 1 ATOM 3198 C CD1 . LEU A 1 400 ? -17.113 13.395 6.739 1.00 36.24 ? 400 LEU A CD1 1 ATOM 3199 C CD2 . LEU A 1 400 ? -16.180 11.164 7.388 1.00 32.41 ? 400 LEU A CD2 1 ATOM 3200 N N . ALA A 1 401 ? -12.829 14.557 9.829 1.00 29.71 ? 401 ALA A N 1 ATOM 3201 C CA . ALA A 1 401 ? -11.643 15.390 9.656 1.00 29.21 ? 401 ALA A CA 1 ATOM 3202 C C . ALA A 1 401 ? -10.750 15.458 10.880 1.00 29.96 ? 401 ALA A C 1 ATOM 3203 O O . ALA A 1 401 ? -9.658 15.938 10.770 1.00 28.80 ? 401 ALA A O 1 ATOM 3204 C CB . ALA A 1 401 ? -12.020 16.784 9.202 1.00 30.10 ? 401 ALA A CB 1 ATOM 3205 N N . LYS A 1 402 ? -11.215 14.982 12.027 1.00 28.08 ? 402 LYS A N 1 ATOM 3206 C CA . LYS A 1 402 ? -10.336 14.848 13.204 1.00 25.23 ? 402 LYS A CA 1 ATOM 3207 C C . LYS A 1 402 ? -9.907 13.415 13.358 1.00 23.57 ? 402 LYS A C 1 ATOM 3208 O O . LYS A 1 402 ? -10.379 12.571 12.612 1.00 26.14 ? 402 LYS A O 1 ATOM 3209 C CB . LYS A 1 402 ? -11.051 15.422 14.435 1.00 24.83 ? 402 LYS A CB 1 ATOM 3210 C CG . LYS A 1 402 ? -11.410 16.890 14.259 1.00 25.56 ? 402 LYS A CG 1 ATOM 3211 C CD . LYS A 1 402 ? -10.214 17.788 13.967 1.00 29.05 ? 402 LYS A CD 1 ATOM 3212 C CE . LYS A 1 402 ? -10.590 19.260 13.938 1.00 30.92 ? 402 LYS A CE 1 ATOM 3213 N NZ . LYS A 1 402 ? -9.349 20.084 14.045 1.00 31.37 ? 402 LYS A NZ 1 ATOM 3214 N N . LYS A 1 403 ? -8.912 13.169 14.193 1.00 20.92 ? 403 LYS A N 1 ATOM 3215 C CA . LYS A 1 403 ? -8.301 11.883 14.281 1.00 21.26 ? 403 LYS A CA 1 ATOM 3216 C C . LYS A 1 403 ? -8.671 11.233 15.592 1.00 22.63 ? 403 LYS A C 1 ATOM 3217 O O . LYS A 1 403 ? -8.869 11.941 16.592 1.00 20.73 ? 403 LYS A O 1 ATOM 3218 C CB . LYS A 1 403 ? -6.774 12.009 14.230 1.00 21.46 ? 403 LYS A CB 1 ATOM 3219 C CG . LYS A 1 403 ? -6.180 12.598 12.956 1.00 22.29 ? 403 LYS A CG 1 ATOM 3220 C CD . LYS A 1 403 ? -4.703 12.881 13.141 1.00 22.51 ? 403 LYS A CD 1 ATOM 3221 C CE . LYS A 1 403 ? -3.980 13.021 11.822 1.00 26.80 ? 403 LYS A CE 1 ATOM 3222 N NZ . LYS A 1 403 ? -4.582 14.142 11.109 1.00 27.51 ? 403 LYS A NZ 1 ATOM 3223 N N . SER A 1 404 ? -8.665 9.896 15.611 1.00 24.16 ? 404 SER A N 1 ATOM 3224 C CA . SER A 1 404 ? -8.719 9.135 16.864 1.00 21.41 ? 404 SER A CA 1 ATOM 3225 C C . SER A 1 404 ? -7.452 9.361 17.628 1.00 21.95 ? 404 SER A C 1 ATOM 3226 O O . SER A 1 404 ? -6.402 9.720 17.026 1.00 21.27 ? 404 SER A O 1 ATOM 3227 C CB . SER A 1 404 ? -8.853 7.659 16.587 1.00 20.60 ? 404 SER A CB 1 ATOM 3228 O OG . SER A 1 404 ? -10.148 7.336 16.111 1.00 21.56 ? 404 SER A OG 1 ATOM 3229 N N . LYS A 1 405 ? -7.513 9.106 18.941 1.00 20.05 ? 405 LYS A N 1 ATOM 3230 C CA . LYS A 1 405 ? -6.281 8.979 19.748 1.00 20.01 ? 405 LYS A CA 1 ATOM 3231 C C . LYS A 1 405 ? -5.651 7.639 19.334 1.00 21.24 ? 405 LYS A C 1 ATOM 3232 O O . LYS A 1 405 ? -6.342 6.654 19.150 1.00 20.53 ? 405 LYS A O 1 ATOM 3233 C CB . LYS A 1 405 ? -6.543 9.087 21.250 1.00 18.01 ? 405 LYS A CB 1 ATOM 3234 C CG . LYS A 1 405 ? -5.356 8.819 22.143 1.00 21.54 ? 405 LYS A CG 1 ATOM 3235 C CD . LYS A 1 405 ? -5.740 8.861 23.610 1.00 18.63 ? 405 LYS A CD 1 ATOM 3236 C CE . LYS A 1 405 ? -4.595 8.306 24.483 1.00 19.01 ? 405 LYS A CE 1 ATOM 3237 N NZ . LYS A 1 405 ? -4.018 6.970 24.085 1.00 18.52 ? 405 LYS A NZ 1 ATOM 3238 N N . LEU A 1 406 ? -4.345 7.634 19.216 1.00 18.39 ? 406 LEU A N 1 ATOM 3239 C CA . LEU A 1 406 ? -3.561 6.415 19.123 1.00 20.22 ? 406 LEU A CA 1 ATOM 3240 C C . LEU A 1 406 ? -3.196 5.852 20.532 1.00 21.22 ? 406 LEU A C 1 ATOM 3241 O O . LEU A 1 406 ? -2.695 6.576 21.464 1.00 18.11 ? 406 LEU A O 1 ATOM 3242 C CB . LEU A 1 406 ? -2.236 6.773 18.394 1.00 22.53 ? 406 LEU A CB 1 ATOM 3243 C CG . LEU A 1 406 ? -1.358 5.567 18.036 1.00 22.44 ? 406 LEU A CG 1 ATOM 3244 C CD1 . LEU A 1 406 ? -1.933 4.933 16.794 1.00 22.67 ? 406 LEU A CD1 1 ATOM 3245 C CD2 . LEU A 1 406 ? 0.148 5.948 17.927 1.00 24.72 ? 406 LEU A CD2 1 ATOM 3246 N N . MET A 1 407 ? -3.389 4.539 20.683 1.00 21.42 ? 407 MET A N 1 ATOM 3247 C CA . MET A 1 407 ? -2.910 3.904 21.905 1.00 23.19 ? 407 MET A CA 1 ATOM 3248 C C . MET A 1 407 ? -1.403 4.085 21.970 1.00 24.62 ? 407 MET A C 1 ATOM 3249 O O . MET A 1 407 ? -0.699 4.060 20.927 1.00 19.75 ? 407 MET A O 1 ATOM 3250 C CB . MET A 1 407 ? -3.298 2.435 21.929 1.00 26.48 ? 407 MET A CB 1 ATOM 3251 C CG . MET A 1 407 ? -2.941 1.653 23.196 1.00 31.14 ? 407 MET A CG 1 ATOM 3252 S SD . MET A 1 407 ? -1.208 1.174 23.041 1.00 35.17 ? 407 MET A SD 1 ATOM 3253 C CE . MET A 1 407 ? -1.246 -0.468 22.355 1.00 35.41 ? 407 MET A CE 1 ATOM 3254 N N . ASN A 1 408 ? -0.935 4.246 23.202 1.00 22.61 ? 408 ASN A N 1 ATOM 3255 C CA . ASN A 1 408 ? 0.451 4.598 23.496 1.00 23.39 ? 408 ASN A CA 1 ATOM 3256 C C . ASN A 1 408 ? 0.701 4.025 24.848 1.00 21.40 ? 408 ASN A C 1 ATOM 3257 O O . ASN A 1 408 ? -0.020 4.290 25.802 1.00 22.34 ? 408 ASN A O 1 ATOM 3258 C CB . ASN A 1 408 ? 0.565 6.106 23.495 1.00 23.17 ? 408 ASN A CB 1 ATOM 3259 C CG . ASN A 1 408 ? 1.960 6.592 23.606 1.00 26.50 ? 408 ASN A CG 1 ATOM 3260 O OD1 . ASN A 1 408 ? 2.806 6.022 24.334 1.00 27.06 ? 408 ASN A OD1 1 ATOM 3261 N ND2 . ASN A 1 408 ? 2.201 7.721 22.956 1.00 27.07 ? 408 ASN A ND2 1 ATOM 3262 N N . GLN A 1 409 ? 1.729 3.225 24.937 1.00 21.33 ? 409 GLN A N 1 ATOM 3263 C CA . GLN A 1 409 ? 2.113 2.598 26.180 1.00 22.80 ? 409 GLN A CA 1 ATOM 3264 C C . GLN A 1 409 ? 2.376 3.588 27.329 1.00 24.05 ? 409 GLN A C 1 ATOM 3265 O O . GLN A 1 409 ? 2.188 3.257 28.449 1.00 23.91 ? 409 GLN A O 1 ATOM 3266 C CB . GLN A 1 409 ? 3.305 1.665 25.993 1.00 24.01 ? 409 GLN A CB 1 ATOM 3267 C CG . GLN A 1 409 ? 3.002 0.341 25.317 1.00 22.29 ? 409 GLN A CG 1 ATOM 3268 C CD . GLN A 1 409 ? 4.258 -0.485 25.060 1.00 26.65 ? 409 GLN A CD 1 ATOM 3269 O OE1 . GLN A 1 409 ? 5.285 0.055 24.783 1.00 26.17 ? 409 GLN A OE1 1 ATOM 3270 N NE2 . GLN A 1 409 ? 4.155 -1.779 25.160 1.00 25.04 ? 409 GLN A NE2 1 ATOM 3271 N N . LYS A 1 410 ? 2.780 4.809 26.988 1.00 24.02 ? 410 LYS A N 1 ATOM 3272 C CA . LYS A 1 410 ? 3.047 5.838 27.991 1.00 25.14 ? 410 LYS A CA 1 ATOM 3273 C C . LYS A 1 410 ? 1.904 6.852 28.113 1.00 23.10 ? 410 LYS A C 1 ATOM 3274 O O . LYS A 1 410 ? 1.924 7.716 28.989 1.00 21.38 ? 410 LYS A O 1 ATOM 3275 C CB . LYS A 1 410 ? 4.358 6.562 27.676 1.00 30.00 ? 410 LYS A CB 1 ATOM 3276 C CG . LYS A 1 410 ? 5.490 5.640 27.254 1.00 30.00 ? 410 LYS A CG 1 ATOM 3277 C CD . LYS A 1 410 ? 6.299 5.175 28.454 1.00 30.00 ? 410 LYS A CD 1 ATOM 3278 C CE . LYS A 1 410 ? 6.803 3.754 28.262 1.00 30.00 ? 410 LYS A CE 1 ATOM 3279 N NZ . LYS A 1 410 ? 6.482 2.889 29.431 1.00 30.00 ? 410 LYS A NZ 1 ATOM 3280 N N . LYS A 1 411 ? 0.914 6.741 27.232 1.00 22.32 ? 411 LYS A N 1 ATOM 3281 C CA . LYS A 1 411 ? -0.266 7.666 27.234 1.00 20.06 ? 411 LYS A CA 1 ATOM 3282 C C . LYS A 1 411 ? -1.541 6.890 26.852 1.00 20.70 ? 411 LYS A C 1 ATOM 3283 O O . LYS A 1 411 ? -1.971 6.911 25.720 1.00 19.80 ? 411 LYS A O 1 ATOM 3284 C CB . LYS A 1 411 ? -0.070 8.819 26.278 1.00 21.25 ? 411 LYS A CB 1 ATOM 3285 C CG . LYS A 1 411 ? 1.162 9.703 26.495 1.00 23.48 ? 411 LYS A CG 1 ATOM 3286 C CD . LYS A 1 411 ? 1.213 10.779 25.420 1.00 23.34 ? 411 LYS A CD 1 ATOM 3287 C CE . LYS A 1 411 ? 2.372 11.780 25.632 1.00 26.72 ? 411 LYS A CE 1 ATOM 3288 N NZ . LYS A 1 411 ? 2.156 12.942 24.722 1.00 26.49 ? 411 LYS A NZ 1 ATOM 3289 N N . MET A 1 412 ? -2.028 6.082 27.786 1.00 19.64 ? 412 MET A N 1 ATOM 3290 C CA . MET A 1 412 ? -3.087 5.152 27.488 1.00 19.11 ? 412 MET A CA 1 ATOM 3291 C C . MET A 1 412 ? -4.460 5.755 27.362 1.00 18.85 ? 412 MET A C 1 ATOM 3292 O O . MET A 1 412 ? -5.072 5.696 26.267 1.00 19.56 ? 412 MET A O 1 ATOM 3293 C CB . MET A 1 412 ? -3.060 4.053 28.561 1.00 20.95 ? 412 MET A CB 1 ATOM 3294 C CG . MET A 1 412 ? -1.745 3.251 28.565 1.00 23.04 ? 412 MET A CG 1 ATOM 3295 S SD . MET A 1 412 ? -1.968 1.738 29.486 1.00 19.96 ? 412 MET A SD 1 ATOM 3296 C CE . MET A 1 412 ? -0.499 0.815 29.070 1.00 20.16 ? 412 MET A CE 1 ATOM 3297 N N . VAL A 1 413 ? -4.992 6.302 28.474 1.00 16.68 ? 413 VAL A N 1 ATOM 3298 C CA . VAL A 1 413 ? -6.385 6.832 28.494 1.00 15.50 ? 413 VAL A CA 1 ATOM 3299 C C . VAL A 1 413 ? -6.412 8.288 28.969 1.00 16.14 ? 413 VAL A C 1 ATOM 3300 O O . VAL A 1 413 ? -5.925 8.631 30.061 1.00 17.57 ? 413 VAL A O 1 ATOM 3301 C CB . VAL A 1 413 ? -7.335 6.010 29.436 1.00 14.31 ? 413 VAL A CB 1 ATOM 3302 C CG1 . VAL A 1 413 ? -8.769 6.587 29.436 1.00 15.31 ? 413 VAL A CG1 1 ATOM 3303 C CG2 . VAL A 1 413 ? -7.421 4.553 28.952 1.00 14.30 ? 413 VAL A CG2 1 ATOM 3304 N N . THR A 1 414 ? -6.938 9.149 28.148 1.00 18.71 ? 414 THR A N 1 ATOM 3305 C CA . THR A 1 414 ? -7.041 10.557 28.445 1.00 18.73 ? 414 THR A CA 1 ATOM 3306 C C . THR A 1 414 ? -7.765 10.821 29.762 1.00 21.72 ? 414 THR A C 1 ATOM 3307 O O . THR A 1 414 ? -8.713 10.145 30.152 1.00 17.32 ? 414 THR A O 1 ATOM 3308 C CB . THR A 1 414 ? -7.783 11.315 27.338 1.00 20.78 ? 414 THR A CB 1 ATOM 3309 O OG1 . THR A 1 414 ? -7.873 12.719 27.666 1.00 22.77 ? 414 THR A OG1 1 ATOM 3310 C CG2 . THR A 1 414 ? -9.186 10.743 27.077 1.00 19.73 ? 414 THR A CG2 1 ATOM 3311 N N . SER A 1 415 ? -7.258 11.828 30.442 1.00 21.14 ? 415 SER A N 1 ATOM 3312 C CA . SER A 1 415 ? -7.817 12.225 31.686 1.00 21.39 ? 415 SER A CA 1 ATOM 3313 C C . SER A 1 415 ? -9.281 12.659 31.622 1.00 21.13 ? 415 SER A C 1 ATOM 3314 O O . SER A 1 415 ? -9.973 12.642 32.660 1.00 23.67 ? 415 SER A O 1 ATOM 3315 C CB . SER A 1 415 ? -6.917 13.296 32.313 1.00 21.03 ? 415 SER A CB 1 ATOM 3316 O OG . SER A 1 415 ? -5.784 12.648 32.837 1.00 24.38 ? 415 SER A OG 1 ATOM 3317 N N . GLU A 1 416 ? -9.765 12.966 30.438 1.00 21.05 ? 416 GLU A N 1 ATOM 3318 C CA . GLU A 1 416 ? -11.207 13.210 30.219 1.00 22.76 ? 416 GLU A CA 1 ATOM 3319 C C . GLU A 1 416 ? -12.112 12.027 30.639 1.00 22.48 ? 416 GLU A C 1 ATOM 3320 O O . GLU A 1 416 ? -13.224 12.210 31.186 1.00 21.41 ? 416 GLU A O 1 ATOM 3321 C CB . GLU A 1 416 ? -11.485 13.669 28.805 1.00 21.77 ? 416 GLU A CB 1 ATOM 3322 C CG . GLU A 1 416 ? -10.743 14.956 28.393 1.00 22.96 ? 416 GLU A CG 1 ATOM 3323 C CD . GLU A 1 416 ? -11.233 16.186 29.137 1.00 25.38 ? 416 GLU A CD 1 ATOM 3324 O OE1 . GLU A 1 416 ? -10.448 16.840 29.814 1.00 27.87 ? 416 GLU A OE1 1 ATOM 3325 O OE2 . GLU A 1 416 ? -12.444 16.424 29.161 1.00 26.41 ? 416 GLU A OE2 1 ATOM 3326 N N . LEU A 1 417 ? -11.607 10.836 30.385 1.00 21.10 ? 417 LEU A N 1 ATOM 3327 C CA . LEU A 1 417 ? -12.224 9.610 30.781 1.00 18.24 ? 417 LEU A CA 1 ATOM 3328 C C . LEU A 1 417 ? -11.652 9.079 32.044 1.00 18.60 ? 417 LEU A C 1 ATOM 3329 O O . LEU A 1 417 ? -12.365 8.393 32.770 1.00 19.36 ? 417 LEU A O 1 ATOM 3330 C CB . LEU A 1 417 ? -12.103 8.513 29.695 1.00 17.51 ? 417 LEU A CB 1 ATOM 3331 C CG . LEU A 1 417 ? -12.658 8.737 28.364 1.00 18.48 ? 417 LEU A CG 1 ATOM 3332 C CD1 . LEU A 1 417 ? -12.156 7.810 27.274 1.00 20.12 ? 417 LEU A CD1 1 ATOM 3333 C CD2 . LEU A 1 417 ? -14.188 8.639 28.460 1.00 18.45 ? 417 LEU A CD2 1 ATOM 3334 N N . ARG A 1 418 ? -10.380 9.371 32.357 1.00 19.69 ? 418 ARG A N 1 ATOM 3335 C CA . ARG A 1 418 ? -9.722 8.746 33.470 1.00 19.62 ? 418 ARG A CA 1 ATOM 3336 C C . ARG A 1 418 ? -9.931 9.495 34.811 1.00 21.28 ? 418 ARG A C 1 ATOM 3337 O O . ARG A 1 418 ? -9.660 8.931 35.862 1.00 18.28 ? 418 ARG A O 1 ATOM 3338 C CB . ARG A 1 418 ? -8.199 8.590 33.197 1.00 19.56 ? 418 ARG A CB 1 ATOM 3339 C CG . ARG A 1 418 ? -7.571 7.447 33.965 1.00 19.20 ? 418 ARG A CG 1 ATOM 3340 C CD . ARG A 1 418 ? -6.051 7.446 33.959 1.00 20.43 ? 418 ARG A CD 1 ATOM 3341 N NE . ARG A 1 418 ? -5.479 8.601 34.613 1.00 20.54 ? 418 ARG A NE 1 ATOM 3342 C CZ . ARG A 1 418 ? -5.222 8.705 35.910 1.00 24.48 ? 418 ARG A CZ 1 ATOM 3343 N NH1 . ARG A 1 418 ? -5.521 7.718 36.750 1.00 25.93 ? 418 ARG A NH1 1 ATOM 3344 N NH2 . ARG A 1 418 ? -4.687 9.830 36.389 1.00 25.86 ? 418 ARG A NH2 1 ATOM 3345 N N . ASN A 1 419 ? -10.290 10.767 34.724 1.00 21.85 ? 419 ASN A N 1 ATOM 3346 C CA . ASN A 1 419 ? -10.603 11.526 35.897 1.00 23.13 ? 419 ASN A CA 1 ATOM 3347 C C . ASN A 1 419 ? -11.901 12.216 35.867 1.00 22.91 ? 419 ASN A C 1 ATOM 3348 O O . ASN A 1 419 ? -12.383 12.620 36.945 1.00 22.74 ? 419 ASN A O 1 ATOM 3349 C CB . ASN A 1 419 ? -9.530 12.576 36.173 1.00 24.82 ? 419 ASN A CB 1 ATOM 3350 C CG . ASN A 1 419 ? -8.273 11.966 36.648 1.00 26.11 ? 419 ASN A CG 1 ATOM 3351 O OD1 . ASN A 1 419 ? -8.280 11.073 37.524 1.00 25.46 ? 419 ASN A OD1 1 ATOM 3352 N ND2 . ASN A 1 419 ? -7.157 12.426 36.080 1.00 29.48 ? 419 ASN A ND2 1 ATOM 3353 N N . LYS A 1 420 ? -12.472 12.413 34.688 1.00 24.38 ? 420 LYS A N 1 ATOM 3354 C CA . LYS A 1 420 ? -13.624 13.287 34.550 1.00 24.17 ? 420 LYS A CA 1 ATOM 3355 C C . LYS A 1 420 ? -14.876 12.632 34.043 1.00 25.29 ? 420 LYS A C 1 ATOM 3356 O O . LYS A 1 420 ? -15.833 13.333 33.705 1.00 28.10 ? 420 LYS A O 1 ATOM 3357 C CB . LYS A 1 420 ? -13.247 14.527 33.739 1.00 23.37 ? 420 LYS A CB 1 ATOM 3358 C CG . LYS A 1 420 ? -12.072 15.273 34.379 1.00 27.46 ? 420 LYS A CG 1 ATOM 3359 C CD . LYS A 1 420 ? -11.658 16.533 33.603 1.00 27.96 ? 420 LYS A CD 1 ATOM 3360 C CE . LYS A 1 420 ? -10.564 17.263 34.343 1.00 28.63 ? 420 LYS A CE 1 ATOM 3361 N NZ . LYS A 1 420 ? -10.393 18.550 33.628 1.00 30.75 ? 420 LYS A NZ 1 ATOM 3362 N N . LEU A 1 421 ? -14.939 11.302 34.060 1.00 25.99 ? 421 LEU A N 1 ATOM 3363 C CA . LEU A 1 421 ? -16.167 10.598 33.654 1.00 23.53 ? 421 LEU A CA 1 ATOM 3364 C C . LEU A 1 421 ? -17.374 10.939 34.561 1.00 23.94 ? 421 LEU A C 1 ATOM 3365 O O . LEU A 1 421 ? -17.223 11.092 35.761 1.00 22.98 ? 421 LEU A O 1 ATOM 3366 C CB . LEU A 1 421 ? -15.978 9.082 33.657 1.00 23.66 ? 421 LEU A CB 1 ATOM 3367 C CG . LEU A 1 421 ? -17.105 8.227 33.030 1.00 25.10 ? 421 LEU A CG 1 ATOM 3368 C CD1 . LEU A 1 421 ? -17.078 8.330 31.543 1.00 25.94 ? 421 LEU A CD1 1 ATOM 3369 C CD2 . LEU A 1 421 ? -17.073 6.773 33.512 1.00 26.05 ? 421 LEU A CD2 1 ATOM 3370 N N . PHE A 1 422 ? -18.529 11.052 33.942 1.00 25.05 ? 422 PHE A N 1 ATOM 3371 C CA . PHE A 1 422 ? -19.802 11.273 34.627 1.00 28.38 ? 422 PHE A CA 1 ATOM 3372 C C . PHE A 1 422 ? -20.614 9.981 34.590 1.00 28.64 ? 422 PHE A C 1 ATOM 3373 O O . PHE A 1 422 ? -20.785 9.368 33.541 1.00 28.38 ? 422 PHE A O 1 ATOM 3374 C CB . PHE A 1 422 ? -20.564 12.443 33.960 1.00 28.43 ? 422 PHE A CB 1 ATOM 3375 C CG . PHE A 1 422 ? -21.941 12.712 34.553 1.00 29.84 ? 422 PHE A CG 1 ATOM 3376 C CD1 . PHE A 1 422 ? -22.083 13.566 35.627 1.00 36.26 ? 422 PHE A CD1 1 ATOM 3377 C CD2 . PHE A 1 422 ? -23.035 12.112 34.055 1.00 30.18 ? 422 PHE A CD2 1 ATOM 3378 C CE1 . PHE A 1 422 ? -23.326 13.801 36.181 1.00 36.26 ? 422 PHE A CE1 1 ATOM 3379 C CE2 . PHE A 1 422 ? -24.296 12.307 34.597 1.00 34.99 ? 422 PHE A CE2 1 ATOM 3380 C CZ . PHE A 1 422 ? -24.431 13.149 35.677 1.00 38.04 ? 422 PHE A CZ 1 ATOM 3381 N N . GLN A 1 423 ? -21.172 9.614 35.729 1.00 30.30 ? 423 GLN A N 1 ATOM 3382 C CA . GLN A 1 423 ? -22.122 8.514 35.795 1.00 36.52 ? 423 GLN A CA 1 ATOM 3383 C C . GLN A 1 423 ? -23.456 8.970 36.306 1.00 33.45 ? 423 GLN A C 1 ATOM 3384 O O . GLN A 1 423 ? -23.522 9.662 37.331 1.00 29.53 ? 423 GLN A O 1 ATOM 3385 C CB . GLN A 1 423 ? -21.572 7.398 36.634 1.00 38.30 ? 423 GLN A CB 1 ATOM 3386 C CG . GLN A 1 423 ? -20.178 7.037 36.112 1.00 38.64 ? 423 GLN A CG 1 ATOM 3387 C CD . GLN A 1 423 ? -19.898 5.564 36.048 1.00 41.73 ? 423 GLN A CD 1 ATOM 3388 O OE1 . GLN A 1 423 ? -19.781 4.988 34.949 1.00 39.83 ? 423 GLN A OE1 1 ATOM 3389 N NE2 . GLN A 1 423 ? -19.668 4.960 37.219 1.00 39.90 ? 423 GLN A NE2 1 ATOM 3390 N N . PRO A 1 424 ? -24.517 8.630 35.564 1.00 38.79 ? 424 PRO A N 1 ATOM 3391 C CA . PRO A 1 424 ? -25.854 8.987 36.042 1.00 38.46 ? 424 PRO A CA 1 ATOM 3392 C C . PRO A 1 424 ? -26.052 8.670 37.523 1.00 41.32 ? 424 PRO A C 1 ATOM 3393 O O . PRO A 1 424 ? -25.545 7.665 38.043 1.00 42.51 ? 424 PRO A O 1 ATOM 3394 C CB . PRO A 1 424 ? -26.766 8.191 35.124 1.00 42.19 ? 424 PRO A CB 1 ATOM 3395 C CG . PRO A 1 424 ? -25.989 8.116 33.844 1.00 39.74 ? 424 PRO A CG 1 ATOM 3396 C CD . PRO A 1 424 ? -24.577 7.926 34.268 1.00 37.25 ? 424 PRO A CD 1 ATOM 3397 N N . THR A 1 425 ? -26.649 9.631 38.221 1.00 46.24 ? 425 THR A N 1 ATOM 3398 C CA . THR A 1 425 ? -27.024 9.522 39.639 1.00 45.55 ? 425 THR A CA 1 ATOM 3399 C C . THR A 1 425 ? -25.911 9.971 40.543 1.00 45.90 ? 425 THR A C 1 ATOM 3400 O O . THR A 1 425 ? -26.145 10.229 41.723 1.00 46.55 ? 425 THR A O 1 ATOM 3401 C CB . THR A 1 425 ? -27.524 8.084 39.980 1.00 48.81 ? 425 THR A CB 1 ATOM 3402 O OG1 . THR A 1 425 ? -28.957 8.096 39.976 1.00 48.29 ? 425 THR A OG1 1 ATOM 3403 C CG2 . THR A 1 425 ? -26.983 7.548 41.280 1.00 50.38 ? 425 THR A CG2 1 ATOM 3404 N N . HIS A 1 426 ? -24.693 10.081 40.013 1.00 42.43 ? 426 HIS A N 1 ATOM 3405 C CA . HIS A 1 426 ? -23.524 10.381 40.834 1.00 42.92 ? 426 HIS A CA 1 ATOM 3406 C C . HIS A 1 426 ? -23.004 11.824 40.736 1.00 39.29 ? 426 HIS A C 1 ATOM 3407 O O . HIS A 1 426 ? -22.003 12.135 41.352 1.00 38.70 ? 426 HIS A O 1 ATOM 3408 C CB . HIS A 1 426 ? -22.435 9.353 40.529 1.00 44.03 ? 426 HIS A CB 1 ATOM 3409 C CG . HIS A 1 426 ? -22.904 7.959 40.763 1.00 50.24 ? 426 HIS A CG 1 ATOM 3410 N ND1 . HIS A 1 426 ? -23.346 7.535 42.000 1.00 50.92 ? 426 HIS A ND1 1 ATOM 3411 C CD2 . HIS A 1 426 ? -23.098 6.926 39.917 1.00 48.44 ? 426 HIS A CD2 1 ATOM 3412 C CE1 . HIS A 1 426 ? -23.751 6.284 41.910 1.00 54.21 ? 426 HIS A CE1 1 ATOM 3413 N NE2 . HIS A 1 426 ? -23.616 5.894 40.657 1.00 53.70 ? 426 HIS A NE2 1 ATOM 3414 N N . LYS A 1 427 ? -23.679 12.681 39.966 1.00 42.11 ? 427 LYS A N 1 ATOM 3415 C CA . LYS A 1 427 ? -23.524 14.154 40.062 1.00 43.29 ? 427 LYS A CA 1 ATOM 3416 C C . LYS A 1 427 ? -22.220 14.756 39.507 1.00 42.55 ? 427 LYS A C 1 ATOM 3417 O O . LYS A 1 427 ? -22.274 15.840 38.924 1.00 43.97 ? 427 LYS A O 1 ATOM 3418 C CB . LYS A 1 427 ? -23.692 14.680 41.498 1.00 43.47 ? 427 LYS A CB 1 ATOM 3419 C CG . LYS A 1 427 ? -25.017 14.335 42.100 1.00 48.41 ? 427 LYS A CG 1 ATOM 3420 C CD . LYS A 1 427 ? -25.044 14.531 43.604 1.00 52.76 ? 427 LYS A CD 1 ATOM 3421 C CE . LYS A 1 427 ? -26.449 14.257 44.107 1.00 53.44 ? 427 LYS A CE 1 ATOM 3422 N NZ . LYS A 1 427 ? -26.992 12.965 43.576 1.00 58.00 ? 427 LYS A NZ 1 ATOM 3423 N N . ILE A 1 428 ? -21.071 14.120 39.712 1.00 32.79 ? 428 ILE A N 1 ATOM 3424 C CA . ILE A 1 428 ? -19.812 14.783 39.386 1.00 32.65 ? 428 ILE A CA 1 ATOM 3425 C C . ILE A 1 428 ? -19.186 14.261 38.079 1.00 31.68 ? 428 ILE A C 1 ATOM 3426 O O . ILE A 1 428 ? -19.436 13.116 37.652 1.00 31.41 ? 428 ILE A O 1 ATOM 3427 C CB . ILE A 1 428 ? -18.800 14.718 40.556 1.00 36.96 ? 428 ILE A CB 1 ATOM 3428 C CG1 . ILE A 1 428 ? -18.358 13.288 40.794 1.00 35.63 ? 428 ILE A CG1 1 ATOM 3429 C CG2 . ILE A 1 428 ? -19.390 15.324 41.854 1.00 41.52 ? 428 ILE A CG2 1 ATOM 3430 C CD1 . ILE A 1 428 ? -17.508 13.142 41.999 1.00 31.88 ? 428 ILE A CD1 1 ATOM 3431 N N . HIS A 1 429 ? -18.391 15.117 37.449 1.00 30.41 ? 429 HIS A N 1 ATOM 3432 C CA . HIS A 1 429 ? -17.463 14.664 36.386 1.00 33.74 ? 429 HIS A CA 1 ATOM 3433 C C . HIS A 1 429 ? -16.199 14.262 37.033 1.00 28.37 ? 429 HIS A C 1 ATOM 3434 O O . HIS A 1 429 ? -15.217 14.973 36.949 1.00 35.78 ? 429 HIS A O 1 ATOM 3435 C CB . HIS A 1 429 ? -17.224 15.779 35.389 1.00 31.01 ? 429 HIS A CB 1 ATOM 3436 C CG . HIS A 1 429 ? -18.402 16.034 34.545 1.00 31.37 ? 429 HIS A CG 1 ATOM 3437 N ND1 . HIS A 1 429 ? -19.560 16.599 35.043 1.00 31.61 ? 429 HIS A ND1 1 ATOM 3438 C CD2 . HIS A 1 429 ? -18.657 15.728 33.256 1.00 31.06 ? 429 HIS A CD2 1 ATOM 3439 C CE1 . HIS A 1 429 ? -20.451 16.683 34.076 1.00 31.65 ? 429 HIS A CE1 1 ATOM 3440 N NE2 . HIS A 1 429 ? -19.938 16.150 32.980 1.00 30.34 ? 429 HIS A NE2 1 ATOM 3441 N N . GLY A 1 430 ? -16.232 13.129 37.730 1.00 27.74 ? 430 GLY A N 1 ATOM 3442 C CA . GLY A 1 430 ? -15.145 12.718 38.590 1.00 25.41 ? 430 GLY A CA 1 ATOM 3443 C C . GLY A 1 430 ? -14.790 11.250 38.617 1.00 26.16 ? 430 GLY A C 1 ATOM 3444 O O . GLY A 1 430 ? -14.067 10.857 39.489 1.00 26.34 ? 430 GLY A O 1 ATOM 3445 N N . PHE A 1 431 ? -15.262 10.457 37.653 1.00 25.60 ? 431 PHE A N 1 ATOM 3446 C CA . PHE A 1 431 ? -15.011 9.011 37.669 1.00 25.44 ? 431 PHE A CA 1 ATOM 3447 C C . PHE A 1 431 ? -13.845 8.629 36.720 1.00 24.32 ? 431 PHE A C 1 ATOM 3448 O O . PHE A 1 431 ? -13.385 9.462 35.912 1.00 21.80 ? 431 PHE A O 1 ATOM 3449 C CB . PHE A 1 431 ? -16.255 8.276 37.316 1.00 26.07 ? 431 PHE A CB 1 ATOM 3450 C CG . PHE A 1 431 ? -17.291 8.273 38.395 1.00 30.96 ? 431 PHE A CG 1 ATOM 3451 C CD1 . PHE A 1 431 ? -18.043 9.405 38.655 1.00 31.73 ? 431 PHE A CD1 1 ATOM 3452 C CD2 . PHE A 1 431 ? -17.560 7.100 39.110 1.00 35.82 ? 431 PHE A CD2 1 ATOM 3453 C CE1 . PHE A 1 431 ? -19.033 9.397 39.646 1.00 41.24 ? 431 PHE A CE1 1 ATOM 3454 C CE2 . PHE A 1 431 ? -18.547 7.077 40.090 1.00 40.57 ? 431 PHE A CE2 1 ATOM 3455 C CZ . PHE A 1 431 ? -19.286 8.224 40.356 1.00 41.44 ? 431 PHE A CZ 1 ATOM 3456 N N . ASP A 1 432 ? -13.449 7.364 36.814 1.00 20.40 ? 432 ASP A N 1 ATOM 3457 C CA . ASP A 1 432 ? -12.225 6.834 36.183 1.00 19.55 ? 432 ASP A CA 1 ATOM 3458 C C . ASP A 1 432 ? -12.611 5.573 35.353 1.00 20.06 ? 432 ASP A C 1 ATOM 3459 O O . ASP A 1 432 ? -12.764 4.450 35.893 1.00 19.86 ? 432 ASP A O 1 ATOM 3460 C CB . ASP A 1 432 ? -11.202 6.521 37.201 1.00 19.31 ? 432 ASP A CB 1 ATOM 3461 C CG . ASP A 1 432 ? -9.869 5.982 36.571 1.00 18.45 ? 432 ASP A CG 1 ATOM 3462 O OD1 . ASP A 1 432 ? -9.880 5.555 35.418 1.00 19.08 ? 432 ASP A OD1 1 ATOM 3463 O OD2 . ASP A 1 432 ? -8.868 5.940 37.266 1.00 18.33 ? 432 ASP A OD2 1 ATOM 3464 N N . LEU A 1 433 ? -12.866 5.789 34.080 1.00 16.83 ? 433 LEU A N 1 ATOM 3465 C CA . LEU A 1 433 ? -13.173 4.634 33.196 1.00 17.54 ? 433 LEU A CA 1 ATOM 3466 C C . LEU A 1 433 ? -12.185 3.469 33.227 1.00 18.61 ? 433 LEU A C 1 ATOM 3467 O O . LEU A 1 433 ? -12.584 2.304 33.052 1.00 19.13 ? 433 LEU A O 1 ATOM 3468 C CB . LEU A 1 433 ? -13.375 5.065 31.753 1.00 17.56 ? 433 LEU A CB 1 ATOM 3469 C CG . LEU A 1 433 ? -13.919 3.954 30.782 1.00 18.16 ? 433 LEU A CG 1 ATOM 3470 C CD1 . LEU A 1 433 ? -15.275 3.405 31.270 1.00 19.14 ? 433 LEU A CD1 1 ATOM 3471 C CD2 . LEU A 1 433 ? -14.046 4.614 29.402 1.00 18.44 ? 433 LEU A CD2 1 ATOM 3472 N N . ALA A 1 434 ? -10.900 3.782 33.400 1.00 18.83 ? 434 ALA A N 1 ATOM 3473 C CA . ALA A 1 434 ? -9.893 2.754 33.449 1.00 19.21 ? 434 ALA A CA 1 ATOM 3474 C C . ALA A 1 434 ? -10.002 1.919 34.676 1.00 18.05 ? 434 ALA A C 1 ATOM 3475 O O . ALA A 1 434 ? -9.921 0.692 34.604 1.00 16.20 ? 434 ALA A O 1 ATOM 3476 C CB . ALA A 1 434 ? -8.483 3.381 33.345 1.00 18.86 ? 434 ALA A CB 1 ATOM 3477 N N . ALA A 1 435 ? -10.160 2.579 35.816 1.00 17.02 ? 435 ALA A N 1 ATOM 3478 C CA . ALA A 1 435 ? -10.290 1.904 37.114 1.00 17.49 ? 435 ALA A CA 1 ATOM 3479 C C . ALA A 1 435 ? -11.539 1.037 37.087 1.00 19.84 ? 435 ALA A C 1 ATOM 3480 O O . ALA A 1 435 ? -11.505 -0.114 37.535 1.00 22.53 ? 435 ALA A O 1 ATOM 3481 C CB . ALA A 1 435 ? -10.388 2.909 38.242 1.00 17.41 ? 435 ALA A CB 1 ATOM 3482 N N . ILE A 1 436 ? -12.617 1.609 36.570 1.00 20.34 ? 436 ILE A N 1 ATOM 3483 C CA . ILE A 1 436 ? -13.862 0.866 36.393 1.00 21.09 ? 436 ILE A CA 1 ATOM 3484 C C . ILE A 1 436 ? -13.618 -0.415 35.577 1.00 21.97 ? 436 ILE A C 1 ATOM 3485 O O . ILE A 1 436 ? -14.029 -1.523 35.994 1.00 17.60 ? 436 ILE A O 1 ATOM 3486 C CB . ILE A 1 436 ? -14.925 1.744 35.774 1.00 19.76 ? 436 ILE A CB 1 ATOM 3487 C CG1 . ILE A 1 436 ? -15.415 2.766 36.856 1.00 20.44 ? 436 ILE A CG1 1 ATOM 3488 C CG2 . ILE A 1 436 ? -16.071 0.955 35.233 1.00 21.21 ? 436 ILE A CG2 1 ATOM 3489 C CD1 . ILE A 1 436 ? -16.210 3.895 36.252 1.00 21.00 ? 436 ILE A CD1 1 ATOM 3490 N N . ASN A 1 437 ? -12.875 -0.266 34.469 1.00 18.54 ? 437 ASN A N 1 ATOM 3491 C CA . ASN A 1 437 ? -12.644 -1.421 33.609 1.00 16.72 ? 437 ASN A CA 1 ATOM 3492 C C . ASN A 1 437 ? -11.960 -2.533 34.375 1.00 16.13 ? 437 ASN A C 1 ATOM 3493 O O . ASN A 1 437 ? -12.295 -3.717 34.211 1.00 16.13 ? 437 ASN A O 1 ATOM 3494 C CB . ASN A 1 437 ? -11.811 -1.037 32.407 1.00 17.10 ? 437 ASN A CB 1 ATOM 3495 C CG . ASN A 1 437 ? -12.568 -0.265 31.364 1.00 17.41 ? 437 ASN A CG 1 ATOM 3496 O OD1 . ASN A 1 437 ? -13.789 -0.314 31.230 1.00 17.47 ? 437 ASN A OD1 1 ATOM 3497 N ND2 . ASN A 1 437 ? -11.810 0.406 30.564 1.00 19.03 ? 437 ASN A ND2 1 ATOM 3498 N N . LEU A 1 438 ? -10.979 -2.148 35.202 1.00 17.13 ? 438 LEU A N 1 ATOM 3499 C CA . LEU A 1 438 ? -10.189 -3.081 36.001 1.00 18.57 ? 438 LEU A CA 1 ATOM 3500 C C . LEU A 1 438 ? -11.067 -3.742 37.084 1.00 18.71 ? 438 LEU A C 1 ATOM 3501 O O . LEU A 1 438 ? -11.088 -4.953 37.227 1.00 19.26 ? 438 LEU A O 1 ATOM 3502 C CB . LEU A 1 438 ? -9.028 -2.356 36.632 1.00 18.86 ? 438 LEU A CB 1 ATOM 3503 C CG . LEU A 1 438 ? -7.970 -1.995 35.539 1.00 20.23 ? 438 LEU A CG 1 ATOM 3504 C CD1 . LEU A 1 438 ? -6.910 -1.195 36.244 1.00 21.15 ? 438 LEU A CD1 1 ATOM 3505 C CD2 . LEU A 1 438 ? -7.377 -3.183 34.824 1.00 21.55 ? 438 LEU A CD2 1 ATOM 3506 N N . GLN A 1 439 ? -11.789 -2.940 37.820 1.00 20.50 ? 439 GLN A N 1 ATOM 3507 C CA . GLN A 1 439 ? -12.722 -3.497 38.827 1.00 21.26 ? 439 GLN A CA 1 ATOM 3508 C C . GLN A 1 439 ? -13.771 -4.441 38.144 1.00 21.24 ? 439 GLN A C 1 ATOM 3509 O O . GLN A 1 439 ? -14.110 -5.480 38.670 1.00 21.15 ? 439 GLN A O 1 ATOM 3510 C CB . GLN A 1 439 ? -13.420 -2.310 39.496 1.00 20.93 ? 439 GLN A CB 1 ATOM 3511 C CG . GLN A 1 439 ? -14.139 -2.626 40.775 1.00 20.82 ? 439 GLN A CG 1 ATOM 3512 C CD . GLN A 1 439 ? -13.234 -2.581 41.963 1.00 25.47 ? 439 GLN A CD 1 ATOM 3513 O OE1 . GLN A 1 439 ? -12.011 -2.698 41.806 1.00 21.28 ? 439 GLN A OE1 1 ATOM 3514 N NE2 . GLN A 1 439 ? -13.819 -2.330 43.172 1.00 21.68 ? 439 GLN A NE2 1 ATOM 3515 N N . ARG A 1 440 ? -14.233 -4.080 36.952 1.00 17.48 ? 440 ARG A N 1 ATOM 3516 C CA . ARG A 1 440 ? -15.215 -4.854 36.212 1.00 18.23 ? 440 ARG A CA 1 ATOM 3517 C C . ARG A 1 440 ? -14.651 -6.178 35.707 1.00 18.02 ? 440 ARG A C 1 ATOM 3518 O O . ARG A 1 440 ? -15.358 -7.219 35.703 1.00 15.73 ? 440 ARG A O 1 ATOM 3519 C CB . ARG A 1 440 ? -15.785 -4.014 35.049 1.00 18.11 ? 440 ARG A CB 1 ATOM 3520 C CG . ARG A 1 440 ? -17.004 -4.634 34.381 1.00 18.87 ? 440 ARG A CG 1 ATOM 3521 C CD . ARG A 1 440 ? -18.221 -4.522 35.319 1.00 20.22 ? 440 ARG A CD 1 ATOM 3522 N NE . ARG A 1 440 ? -18.685 -3.163 35.440 1.00 20.04 ? 440 ARG A NE 1 ATOM 3523 C CZ . ARG A 1 440 ? -19.605 -2.746 36.336 1.00 25.66 ? 440 ARG A CZ 1 ATOM 3524 N NH1 . ARG A 1 440 ? -20.073 -3.580 37.237 1.00 23.19 ? 440 ARG A NH1 1 ATOM 3525 N NH2 . ARG A 1 440 ? -19.968 -1.464 36.377 1.00 21.83 ? 440 ARG A NH2 1 ATOM 3526 N N . CYS A 1 441 ? -13.346 -6.191 35.325 1.00 17.04 ? 441 CYS A N 1 ATOM 3527 C CA . CYS A 1 441 ? -12.704 -7.481 34.968 1.00 16.85 ? 441 CYS A CA 1 ATOM 3528 C C . CYS A 1 441 ? -12.855 -8.414 36.178 1.00 18.36 ? 441 CYS A C 1 ATOM 3529 O O . CYS A 1 441 ? -13.142 -9.564 36.024 1.00 17.80 ? 441 CYS A O 1 ATOM 3530 C CB . CYS A 1 441 ? -11.209 -7.380 34.686 1.00 17.57 ? 441 CYS A CB 1 ATOM 3531 S SG . CYS A 1 441 ? -10.842 -6.490 33.150 1.00 19.08 ? 441 CYS A SG 1 ATOM 3532 N N . ARG A 1 442 ? -12.571 -7.898 37.380 1.00 18.11 ? 442 ARG A N 1 ATOM 3533 C CA . ARG A 1 442 ? -12.657 -8.726 38.625 1.00 15.67 ? 442 ARG A CA 1 ATOM 3534 C C . ARG A 1 442 ? -14.093 -9.136 38.987 1.00 16.27 ? 442 ARG A C 1 ATOM 3535 O O . ARG A 1 442 ? -14.351 -10.297 39.296 1.00 18.64 ? 442 ARG A O 1 ATOM 3536 C CB . ARG A 1 442 ? -12.035 -7.959 39.771 1.00 18.10 ? 442 ARG A CB 1 ATOM 3537 C CG . ARG A 1 442 ? -10.556 -7.735 39.513 1.00 17.08 ? 442 ARG A CG 1 ATOM 3538 C CD . ARG A 1 442 ? -9.913 -6.757 40.448 1.00 19.12 ? 442 ARG A CD 1 ATOM 3539 N NE . ARG A 1 442 ? -8.557 -6.382 40.006 1.00 18.54 ? 442 ARG A NE 1 ATOM 3540 C CZ . ARG A 1 442 ? -7.782 -5.548 40.697 1.00 21.50 ? 442 ARG A CZ 1 ATOM 3541 N NH1 . ARG A 1 442 ? -8.243 -5.042 41.859 1.00 21.87 ? 442 ARG A NH1 1 ATOM 3542 N NH2 . ARG A 1 442 ? -6.541 -5.246 40.241 1.00 21.25 ? 442 ARG A NH2 1 ATOM 3543 N N . ASP A 1 443 ? -14.960 -8.173 38.910 1.00 18.75 ? 443 ASP A N 1 ATOM 3544 C CA . ASP A 1 443 ? -16.450 -8.353 39.069 1.00 19.29 ? 443 ASP A CA 1 ATOM 3545 C C . ASP A 1 443 ? -16.909 -9.525 38.196 1.00 21.77 ? 443 ASP A C 1 ATOM 3546 O O . ASP A 1 443 ? -17.612 -10.427 38.694 1.00 22.78 ? 443 ASP A O 1 ATOM 3547 C CB . ASP A 1 443 ? -17.145 -7.040 38.771 1.00 18.29 ? 443 ASP A CB 1 ATOM 3548 C CG . ASP A 1 443 ? -18.667 -7.147 38.785 1.00 18.57 ? 443 ASP A CG 1 ATOM 3549 O OD1 . ASP A 1 443 ? -19.196 -8.041 39.482 1.00 18.65 ? 443 ASP A OD1 1 ATOM 3550 O OD2 . ASP A 1 443 ? -19.281 -6.379 38.025 1.00 18.84 ? 443 ASP A OD2 1 ATOM 3551 N N . HIS A 1 444 ? -16.465 -9.552 36.931 1.00 17.60 ? 444 HIS A N 1 ATOM 3552 C CA . HIS A 1 444 ? -16.835 -10.592 36.003 1.00 18.04 ? 444 HIS A CA 1 ATOM 3553 C C . HIS A 1 444 ? -16.075 -11.870 36.084 1.00 18.10 ? 444 HIS A C 1 ATOM 3554 O O . HIS A 1 444 ? -16.270 -12.733 35.257 1.00 18.36 ? 444 HIS A O 1 ATOM 3555 C CB . HIS A 1 444 ? -16.717 -10.109 34.561 1.00 20.03 ? 444 HIS A CB 1 ATOM 3556 C CG . HIS A 1 444 ? -17.815 -9.200 34.133 1.00 18.18 ? 444 HIS A CG 1 ATOM 3557 N ND1 . HIS A 1 444 ? -18.453 -9.333 32.910 1.00 19.33 ? 444 HIS A ND1 1 ATOM 3558 C CD2 . HIS A 1 444 ? -18.343 -8.098 34.717 1.00 17.14 ? 444 HIS A CD2 1 ATOM 3559 C CE1 . HIS A 1 444 ? -19.345 -8.366 32.774 1.00 17.21 ? 444 HIS A CE1 1 ATOM 3560 N NE2 . HIS A 1 444 ? -19.281 -7.605 33.848 1.00 17.30 ? 444 HIS A NE2 1 ATOM 3561 N N . GLY A 1 445 ? -15.211 -12.051 37.074 1.00 17.91 ? 445 GLY A N 1 ATOM 3562 C CA . GLY A 1 445 ? -14.584 -13.309 37.248 1.00 17.72 ? 445 GLY A CA 1 ATOM 3563 C C . GLY A 1 445 ? -13.515 -13.589 36.188 1.00 17.69 ? 445 GLY A C 1 ATOM 3564 O O . GLY A 1 445 ? -13.305 -14.732 35.837 1.00 18.41 ? 445 GLY A O 1 ATOM 3565 N N . MET A 1 446 ? -12.882 -12.567 35.643 1.00 17.93 ? 446 MET A N 1 ATOM 3566 C CA . MET A 1 446 ? -11.909 -12.806 34.533 1.00 19.29 ? 446 MET A CA 1 ATOM 3567 C C . MET A 1 446 ? -10.664 -13.574 34.904 1.00 18.42 ? 446 MET A C 1 ATOM 3568 O O . MET A 1 446 ? -9.971 -13.205 35.830 1.00 19.46 ? 446 MET A O 1 ATOM 3569 C CB . MET A 1 446 ? -11.477 -11.508 33.899 1.00 18.69 ? 446 MET A CB 1 ATOM 3570 C CG . MET A 1 446 ? -12.463 -10.871 32.884 1.00 18.06 ? 446 MET A CG 1 ATOM 3571 S SD . MET A 1 446 ? -12.755 -11.904 31.470 1.00 18.87 ? 446 MET A SD 1 ATOM 3572 C CE . MET A 1 446 ? -14.350 -12.658 31.849 1.00 18.71 ? 446 MET A CE 1 ATOM 3573 N N . PRO A 1 447 ? -10.341 -14.615 34.128 1.00 16.71 ? 447 PRO A N 1 ATOM 3574 C CA . PRO A 1 447 ? -8.971 -15.135 34.187 1.00 19.29 ? 447 PRO A CA 1 ATOM 3575 C C . PRO A 1 447 ? -7.939 -14.060 33.899 1.00 18.54 ? 447 PRO A C 1 ATOM 3576 O O . PRO A 1 447 ? -8.229 -13.068 33.228 1.00 18.53 ? 447 PRO A O 1 ATOM 3577 C CB . PRO A 1 447 ? -8.964 -16.196 33.104 1.00 18.99 ? 447 PRO A CB 1 ATOM 3578 C CG . PRO A 1 447 ? -10.417 -16.616 33.046 1.00 18.11 ? 447 PRO A CG 1 ATOM 3579 C CD . PRO A 1 447 ? -11.112 -15.304 33.095 1.00 17.92 ? 447 PRO A CD 1 ATOM 3580 N N . GLY A 1 448 ? -6.774 -14.194 34.515 1.00 19.85 ? 448 GLY A N 1 ATOM 3581 C CA . GLY A 1 448 ? -5.711 -13.277 34.266 1.00 20.98 ? 448 GLY A CA 1 ATOM 3582 C C . GLY A 1 448 ? -4.991 -13.344 32.927 1.00 20.14 ? 448 GLY A C 1 ATOM 3583 O O . GLY A 1 448 ? -5.321 -14.114 32.031 1.00 21.61 ? 448 GLY A O 1 ATOM 3584 N N . TYR A 1 449 ? -4.081 -12.378 32.752 1.00 18.33 ? 449 TYR A N 1 ATOM 3585 C CA . TYR A 1 449 ? -3.326 -12.144 31.480 1.00 18.58 ? 449 TYR A CA 1 ATOM 3586 C C . TYR A 1 449 ? -2.738 -13.404 30.919 1.00 16.98 ? 449 TYR A C 1 ATOM 3587 O O . TYR A 1 449 ? -3.001 -13.781 29.771 1.00 16.93 ? 449 TYR A O 1 ATOM 3588 C CB . TYR A 1 449 ? -2.244 -11.081 31.748 1.00 18.98 ? 449 TYR A CB 1 ATOM 3589 C CG . TYR A 1 449 ? -1.369 -10.789 30.567 1.00 19.48 ? 449 TYR A CG 1 ATOM 3590 C CD1 . TYR A 1 449 ? -1.876 -10.193 29.415 1.00 16.30 ? 449 TYR A CD1 1 ATOM 3591 C CD2 . TYR A 1 449 ? -0.007 -11.006 30.644 1.00 19.03 ? 449 TYR A CD2 1 ATOM 3592 C CE1 . TYR A 1 449 ? -1.083 -9.945 28.321 1.00 18.95 ? 449 TYR A CE1 1 ATOM 3593 C CE2 . TYR A 1 449 ? 0.792 -10.774 29.551 1.00 21.67 ? 449 TYR A CE2 1 ATOM 3594 C CZ . TYR A 1 449 ? 0.298 -10.205 28.416 1.00 20.54 ? 449 TYR A CZ 1 ATOM 3595 O OH . TYR A 1 449 ? 1.160 -9.973 27.370 1.00 25.29 ? 449 TYR A OH 1 ATOM 3596 N N . ASN A 1 450 ? -1.998 -14.143 31.739 1.00 19.21 ? 450 ASN A N 1 ATOM 3597 C CA . ASN A 1 450 ? -1.419 -15.389 31.212 1.00 20.48 ? 450 ASN A CA 1 ATOM 3598 C C . ASN A 1 450 ? -2.342 -16.561 30.862 1.00 17.72 ? 450 ASN A C 1 ATOM 3599 O O . ASN A 1 450 ? -2.019 -17.318 29.964 1.00 20.49 ? 450 ASN A O 1 ATOM 3600 C CB . ASN A 1 450 ? -0.320 -15.874 32.150 1.00 23.83 ? 450 ASN A CB 1 ATOM 3601 C CG . ASN A 1 450 ? 1.002 -15.166 31.893 1.00 22.45 ? 450 ASN A CG 1 ATOM 3602 O OD1 . ASN A 1 450 ? 1.322 -14.828 30.766 1.00 26.32 ? 450 ASN A OD1 1 ATOM 3603 N ND2 . ASN A 1 450 ? 1.825 -15.067 32.936 1.00 24.86 ? 450 ASN A ND2 1 ATOM 3604 N N . SER A 1 451 ? -3.440 -16.720 31.586 1.00 18.80 ? 451 SER A N 1 ATOM 3605 C CA . SER A 1 451 ? -4.485 -17.649 31.204 1.00 18.98 ? 451 SER A CA 1 ATOM 3606 C C . SER A 1 451 ? -4.914 -17.349 29.736 1.00 17.13 ? 451 SER A C 1 ATOM 3607 O O . SER A 1 451 ? -5.020 -18.254 28.888 1.00 21.67 ? 451 SER A O 1 ATOM 3608 C CB . SER A 1 451 ? -5.645 -17.495 32.145 1.00 21.90 ? 451 SER A CB 1 ATOM 3609 O OG . SER A 1 451 ? -5.323 -17.911 33.463 1.00 20.33 ? 451 SER A OG 1 ATOM 3610 N N . TRP A 1 452 ? -5.094 -16.074 29.427 1.00 17.00 ? 452 TRP A N 1 ATOM 3611 C CA . TRP A 1 452 ? -5.576 -15.641 28.131 1.00 17.00 ? 452 TRP A CA 1 ATOM 3612 C C . TRP A 1 452 ? -4.452 -15.733 27.075 1.00 17.85 ? 452 TRP A C 1 ATOM 3613 O O . TRP A 1 452 ? -4.676 -16.195 25.979 1.00 17.20 ? 452 TRP A O 1 ATOM 3614 C CB . TRP A 1 452 ? -6.186 -14.242 28.175 1.00 18.80 ? 452 TRP A CB 1 ATOM 3615 C CG . TRP A 1 452 ? -7.499 -14.263 28.903 1.00 17.87 ? 452 TRP A CG 1 ATOM 3616 C CD1 . TRP A 1 452 ? -7.803 -13.619 30.050 1.00 16.92 ? 452 TRP A CD1 1 ATOM 3617 C CD2 . TRP A 1 452 ? -8.642 -14.952 28.502 1.00 17.51 ? 452 TRP A CD2 1 ATOM 3618 N NE1 . TRP A 1 452 ? -9.110 -13.877 30.418 1.00 18.11 ? 452 TRP A NE1 1 ATOM 3619 C CE2 . TRP A 1 452 ? -9.615 -14.760 29.506 1.00 18.43 ? 452 TRP A CE2 1 ATOM 3620 C CE3 . TRP A 1 452 ? -8.943 -15.806 27.435 1.00 17.09 ? 452 TRP A CE3 1 ATOM 3621 C CZ2 . TRP A 1 452 ? -10.830 -15.355 29.438 1.00 20.06 ? 452 TRP A CZ2 1 ATOM 3622 C CZ3 . TRP A 1 452 ? -10.169 -16.379 27.386 1.00 18.43 ? 452 TRP A CZ3 1 ATOM 3623 C CH2 . TRP A 1 452 ? -11.083 -16.180 28.377 1.00 19.09 ? 452 TRP A CH2 1 ATOM 3624 N N . ARG A 1 453 ? -3.212 -15.422 27.473 1.00 20.81 ? 453 ARG A N 1 ATOM 3625 C CA . ARG A 1 453 ? -2.095 -15.690 26.582 1.00 20.43 ? 453 ARG A CA 1 ATOM 3626 C C . ARG A 1 453 ? -2.083 -17.145 26.173 1.00 19.91 ? 453 ARG A C 1 ATOM 3627 O O . ARG A 1 453 ? -1.980 -17.426 25.003 1.00 19.01 ? 453 ARG A O 1 ATOM 3628 C CB . ARG A 1 453 ? -0.782 -15.338 27.279 1.00 19.00 ? 453 ARG A CB 1 ATOM 3629 C CG . ARG A 1 453 ? -0.645 -13.835 27.510 1.00 21.57 ? 453 ARG A CG 1 ATOM 3630 C CD . ARG A 1 453 ? -0.230 -13.056 26.271 1.00 21.12 ? 453 ARG A CD 1 ATOM 3631 N NE . ARG A 1 453 ? 1.153 -13.421 25.874 1.00 23.83 ? 453 ARG A NE 1 ATOM 3632 C CZ . ARG A 1 453 ? 1.852 -12.915 24.855 1.00 24.78 ? 453 ARG A CZ 1 ATOM 3633 N NH1 . ARG A 1 453 ? 1.373 -11.956 24.065 1.00 27.19 ? 453 ARG A NH1 1 ATOM 3634 N NH2 . ARG A 1 453 ? 3.080 -13.412 24.589 1.00 26.39 ? 453 ARG A NH2 1 ATOM 3635 N N . GLY A 1 454 ? -2.185 -18.035 27.176 1.00 20.35 ? 454 GLY A N 1 ATOM 3636 C CA . GLY A 1 454 ? -2.263 -19.449 26.969 1.00 21.53 ? 454 GLY A CA 1 ATOM 3637 C C . GLY A 1 454 ? -3.414 -19.894 26.083 1.00 20.08 ? 454 GLY A C 1 ATOM 3638 O O . GLY A 1 454 ? -3.222 -20.635 25.136 1.00 19.09 ? 454 GLY A O 1 ATOM 3639 N N . PHE A 1 455 ? -4.633 -19.392 26.345 1.00 20.94 ? 455 PHE A N 1 ATOM 3640 C CA . PHE A 1 455 ? -5.788 -19.573 25.394 1.00 18.70 ? 455 PHE A CA 1 ATOM 3641 C C . PHE A 1 455 ? -5.503 -19.238 23.904 1.00 20.73 ? 455 PHE A C 1 ATOM 3642 O O . PHE A 1 455 ? -6.024 -19.832 22.957 1.00 19.54 ? 455 PHE A O 1 ATOM 3643 C CB . PHE A 1 455 ? -6.925 -18.700 25.914 1.00 19.55 ? 455 PHE A CB 1 ATOM 3644 C CG . PHE A 1 455 ? -8.185 -18.860 25.216 1.00 20.19 ? 455 PHE A CG 1 ATOM 3645 C CD1 . PHE A 1 455 ? -9.067 -19.877 25.608 1.00 21.56 ? 455 PHE A CD1 1 ATOM 3646 C CD2 . PHE A 1 455 ? -8.554 -17.968 24.267 1.00 19.84 ? 455 PHE A CD2 1 ATOM 3647 C CE1 . PHE A 1 455 ? -10.294 -19.996 24.994 1.00 21.00 ? 455 PHE A CE1 1 ATOM 3648 C CE2 . PHE A 1 455 ? -9.780 -18.070 23.657 1.00 21.94 ? 455 PHE A CE2 1 ATOM 3649 C CZ . PHE A 1 455 ? -10.646 -19.116 24.015 1.00 23.04 ? 455 PHE A CZ 1 ATOM 3650 N N . CYS A 1 456 ? -4.709 -18.230 23.686 1.00 21.69 ? 456 CYS A N 1 ATOM 3651 C CA . CYS A 1 456 ? -4.407 -17.786 22.379 1.00 21.24 ? 456 CYS A CA 1 ATOM 3652 C C . CYS A 1 456 ? -3.070 -18.337 21.819 1.00 24.43 ? 456 CYS A C 1 ATOM 3653 O O . CYS A 1 456 ? -2.618 -17.818 20.796 1.00 25.44 ? 456 CYS A O 1 ATOM 3654 C CB . CYS A 1 456 ? -4.332 -16.235 22.383 1.00 20.60 ? 456 CYS A CB 1 ATOM 3655 S SG . CYS A 1 456 ? -5.950 -15.468 22.432 1.00 20.76 ? 456 CYS A SG 1 ATOM 3656 N N . GLY A 1 457 ? -2.439 -19.296 22.489 1.00 27.28 ? 457 GLY A N 1 ATOM 3657 C CA . GLY A 1 457 ? -1.251 -19.938 21.932 1.00 27.63 ? 457 GLY A CA 1 ATOM 3658 C C . GLY A 1 457 ? -0.025 -19.053 22.043 1.00 27.91 ? 457 GLY A C 1 ATOM 3659 O O . GLY A 1 457 ? 0.990 -19.319 21.365 1.00 28.43 ? 457 GLY A O 1 ATOM 3660 N N . LEU A 1 458 ? -0.049 -18.086 22.970 1.00 25.38 ? 458 LEU A N 1 ATOM 3661 C CA . LEU A 1 458 ? 1.058 -17.144 23.163 1.00 25.07 ? 458 LEU A CA 1 ATOM 3662 C C . LEU A 1 458 ? 1.814 -17.434 24.428 1.00 26.60 ? 458 LEU A C 1 ATOM 3663 O O . LEU A 1 458 ? 1.289 -18.040 25.383 1.00 25.94 ? 458 LEU A O 1 ATOM 3664 C CB . LEU A 1 458 ? 0.529 -15.699 23.196 1.00 27.78 ? 458 LEU A CB 1 ATOM 3665 C CG . LEU A 1 458 ? -0.166 -15.307 21.917 1.00 24.27 ? 458 LEU A CG 1 ATOM 3666 C CD1 . LEU A 1 458 ? -1.096 -14.085 22.124 1.00 27.77 ? 458 LEU A CD1 1 ATOM 3667 C CD2 . LEU A 1 458 ? 0.871 -15.091 20.822 1.00 29.92 ? 458 LEU A CD2 1 ATOM 3668 N N . SER A 1 459 ? 3.055 -16.961 24.500 1.00 25.60 ? 459 SER A N 1 ATOM 3669 C CA . SER A 1 459 ? 3.852 -17.232 25.670 1.00 26.30 ? 459 SER A CA 1 ATOM 3670 C C . SER A 1 459 ? 3.267 -16.572 26.875 1.00 28.43 ? 459 SER A C 1 ATOM 3671 O O . SER A 1 459 ? 2.531 -15.571 26.786 1.00 28.16 ? 459 SER A O 1 ATOM 3672 C CB . SER A 1 459 ? 5.285 -16.742 25.482 1.00 30.77 ? 459 SER A CB 1 ATOM 3673 O OG . SER A 1 459 ? 5.208 -15.382 25.113 1.00 28.68 ? 459 SER A OG 1 ATOM 3674 N N . GLN A 1 460 ? 3.623 -17.147 28.002 1.00 24.85 ? 460 GLN A N 1 ATOM 3675 C CA . GLN A 1 460 ? 3.202 -16.722 29.245 1.00 27.29 ? 460 GLN A CA 1 ATOM 3676 C C . GLN A 1 460 ? 4.404 -16.259 30.052 1.00 31.62 ? 460 GLN A C 1 ATOM 3677 O O . GLN A 1 460 ? 5.026 -17.035 30.777 1.00 30.09 ? 460 GLN A O 1 ATOM 3678 C CB . GLN A 1 460 ? 2.464 -17.844 29.923 1.00 26.93 ? 460 GLN A CB 1 ATOM 3679 C CG . GLN A 1 460 ? 1.113 -18.197 29.276 1.00 26.04 ? 460 GLN A CG 1 ATOM 3680 C CD . GLN A 1 460 ? 0.470 -19.356 30.038 1.00 28.60 ? 460 GLN A CD 1 ATOM 3681 O OE1 . GLN A 1 460 ? 0.176 -19.250 31.213 1.00 33.07 ? 460 GLN A OE1 1 ATOM 3682 N NE2 . GLN A 1 460 ? 0.313 -20.448 29.392 1.00 27.88 ? 460 GLN A NE2 1 ATOM 3683 N N . PRO A 1 461 ? 4.723 -14.951 29.958 1.00 32.11 ? 461 PRO A N 1 ATOM 3684 C CA . PRO A 1 461 ? 5.851 -14.454 30.740 1.00 30.85 ? 461 PRO A CA 1 ATOM 3685 C C . PRO A 1 461 ? 5.657 -14.593 32.236 1.00 31.99 ? 461 PRO A C 1 ATOM 3686 O O . PRO A 1 461 ? 4.600 -14.319 32.779 1.00 28.09 ? 461 PRO A O 1 ATOM 3687 C CB . PRO A 1 461 ? 5.932 -12.977 30.327 1.00 32.46 ? 461 PRO A CB 1 ATOM 3688 C CG . PRO A 1 461 ? 4.505 -12.641 29.931 1.00 30.20 ? 461 PRO A CG 1 ATOM 3689 C CD . PRO A 1 461 ? 4.091 -13.869 29.180 1.00 28.10 ? 461 PRO A CD 1 ATOM 3690 N N . LYS A 1 462 ? 6.700 -15.048 32.926 1.00 32.90 ? 462 LYS A N 1 ATOM 3691 C CA . LYS A 1 462 ? 6.609 -15.218 34.366 1.00 36.86 ? 462 LYS A CA 1 ATOM 3692 C C . LYS A 1 462 ? 7.522 -14.301 35.148 1.00 33.79 ? 462 LYS A C 1 ATOM 3693 O O . LYS A 1 462 ? 7.349 -14.160 36.353 1.00 36.29 ? 462 LYS A O 1 ATOM 3694 C CB . LYS A 1 462 ? 6.826 -16.694 34.774 1.00 42.78 ? 462 LYS A CB 1 ATOM 3695 C CG . LYS A 1 462 ? 5.974 -17.706 33.997 1.00 44.43 ? 462 LYS A CG 1 ATOM 3696 C CD . LYS A 1 462 ? 4.509 -17.784 34.440 1.00 46.37 ? 462 LYS A CD 1 ATOM 3697 C CE . LYS A 1 462 ? 3.668 -18.612 33.448 1.00 47.42 ? 462 LYS A CE 1 ATOM 3698 N NZ . LYS A 1 462 ? 2.171 -18.641 33.695 1.00 49.04 ? 462 LYS A NZ 1 ATOM 3699 N N . THR A 1 463 ? 8.484 -13.663 34.489 1.00 36.41 ? 463 THR A N 1 ATOM 3700 C CA . THR A 1 463 ? 9.411 -12.778 35.206 1.00 33.74 ? 463 THR A CA 1 ATOM 3701 C C . THR A 1 463 ? 9.330 -11.389 34.618 1.00 34.99 ? 463 THR A C 1 ATOM 3702 O O . THR A 1 463 ? 8.872 -11.229 33.455 1.00 35.00 ? 463 THR A O 1 ATOM 3703 C CB . THR A 1 463 ? 10.852 -13.266 35.056 1.00 30.61 ? 463 THR A CB 1 ATOM 3704 O OG1 . THR A 1 463 ? 11.222 -13.227 33.675 1.00 33.26 ? 463 THR A OG1 1 ATOM 3705 C CG2 . THR A 1 463 ? 10.975 -14.652 35.598 1.00 34.46 ? 463 THR A CG2 1 ATOM 3706 N N . LEU A 1 464 ? 9.817 -10.398 35.381 1.00 34.61 ? 464 LEU A N 1 ATOM 3707 C CA . LEU A 1 464 ? 9.968 -9.036 34.839 1.00 39.00 ? 464 LEU A CA 1 ATOM 3708 C C . LEU A 1 464 ? 10.594 -9.075 33.448 1.00 38.90 ? 464 LEU A C 1 ATOM 3709 O O . LEU A 1 464 ? 10.079 -8.475 32.505 1.00 39.85 ? 464 LEU A O 1 ATOM 3710 C CB . LEU A 1 464 ? 10.783 -8.145 35.783 1.00 41.42 ? 464 LEU A CB 1 ATOM 3711 C CG . LEU A 1 464 ? 11.209 -6.732 35.314 1.00 40.17 ? 464 LEU A CG 1 ATOM 3712 C CD1 . LEU A 1 464 ? 9.982 -5.825 35.219 1.00 39.03 ? 464 LEU A CD1 1 ATOM 3713 C CD2 . LEU A 1 464 ? 12.255 -6.096 36.239 1.00 38.04 ? 464 LEU A CD2 1 ATOM 3714 N N . LYS A 1 465 ? 11.675 -9.825 33.269 1.00 37.39 ? 465 LYS A N 1 ATOM 3715 C CA . LYS A 1 465 ? 12.361 -9.742 31.987 1.00 37.56 ? 465 LYS A CA 1 ATOM 3716 C C . LYS A 1 465 ? 11.519 -10.343 30.848 1.00 34.92 ? 465 LYS A C 1 ATOM 3717 O O . LYS A 1 465 ? 11.556 -9.880 29.682 1.00 36.22 ? 465 LYS A O 1 ATOM 3718 C CB . LYS A 1 465 ? 13.738 -10.417 32.080 1.00 47.92 ? 465 LYS A CB 1 ATOM 3719 C CG . LYS A 1 465 ? 14.884 -9.544 31.592 1.00 57.08 ? 465 LYS A CG 1 ATOM 3720 C CD . LYS A 1 465 ? 16.250 -10.157 31.920 1.00 65.68 ? 465 LYS A CD 1 ATOM 3721 C CE . LYS A 1 465 ? 16.929 -9.492 33.118 1.00 69.46 ? 465 LYS A CE 1 ATOM 3722 N NZ . LYS A 1 465 ? 18.407 -9.677 33.047 1.00 72.06 ? 465 LYS A NZ 1 ATOM 3723 N N . GLY A 1 466 ? 10.773 -11.407 31.151 1.00 35.27 ? 466 GLY A N 1 ATOM 3724 C CA . GLY A 1 466 ? 9.933 -12.005 30.099 1.00 36.09 ? 466 GLY A CA 1 ATOM 3725 C C . GLY A 1 466 ? 8.808 -11.048 29.706 1.00 27.56 ? 466 GLY A C 1 ATOM 3726 O O . GLY A 1 466 ? 8.483 -10.928 28.534 1.00 28.42 ? 466 GLY A O 1 ATOM 3727 N N . LEU A 1 467 ? 8.304 -10.316 30.699 1.00 25.68 ? 467 LEU A N 1 ATOM 3728 C CA . LEU A 1 467 ? 7.231 -9.374 30.478 1.00 29.73 ? 467 LEU A CA 1 ATOM 3729 C C . LEU A 1 467 ? 7.754 -8.185 29.677 1.00 31.57 ? 467 LEU A C 1 ATOM 3730 O O . LEU A 1 467 ? 7.070 -7.669 28.790 1.00 24.13 ? 467 LEU A O 1 ATOM 3731 C CB . LEU A 1 467 ? 6.654 -8.880 31.808 1.00 32.53 ? 467 LEU A CB 1 ATOM 3732 C CG . LEU A 1 467 ? 5.417 -7.985 31.674 1.00 31.29 ? 467 LEU A CG 1 ATOM 3733 C CD1 . LEU A 1 467 ? 4.342 -8.723 30.874 1.00 34.38 ? 467 LEU A CD1 1 ATOM 3734 C CD2 . LEU A 1 467 ? 4.910 -7.608 33.053 1.00 31.32 ? 467 LEU A CD2 1 ATOM 3735 N N . GLN A 1 468 ? 8.998 -7.753 29.976 1.00 28.94 ? 468 GLN A N 1 ATOM 3736 C CA . GLN A 1 468 ? 9.624 -6.730 29.140 1.00 27.32 ? 468 GLN A CA 1 ATOM 3737 C C . GLN A 1 468 ? 9.689 -7.139 27.727 1.00 25.93 ? 468 GLN A C 1 ATOM 3738 O O . GLN A 1 468 ? 9.484 -6.342 26.789 1.00 24.62 ? 468 GLN A O 1 ATOM 3739 C CB . GLN A 1 468 ? 11.073 -6.474 29.600 1.00 31.99 ? 468 GLN A CB 1 ATOM 3740 C CG . GLN A 1 468 ? 11.209 -5.937 30.984 1.00 37.18 ? 468 GLN A CG 1 ATOM 3741 C CD . GLN A 1 468 ? 12.684 -5.859 31.413 1.00 43.00 ? 468 GLN A CD 1 ATOM 3742 O OE1 . GLN A 1 468 ? 13.613 -6.181 30.649 1.00 50.28 ? 468 GLN A OE1 1 ATOM 3743 N NE2 . GLN A 1 468 ? 12.895 -5.406 32.626 1.00 46.17 ? 468 GLN A NE2 1 ATOM 3744 N N . THR A 1 469 ? 10.014 -8.400 27.497 1.00 29.36 ? 469 THR A N 1 ATOM 3745 C CA . THR A 1 469 ? 10.177 -8.793 26.119 1.00 31.79 ? 469 THR A CA 1 ATOM 3746 C C . THR A 1 469 ? 8.852 -8.854 25.379 1.00 28.49 ? 469 THR A C 1 ATOM 3747 O O . THR A 1 469 ? 8.754 -8.495 24.186 1.00 29.79 ? 469 THR A O 1 ATOM 3748 C CB . THR A 1 469 ? 10.871 -10.140 26.007 1.00 36.46 ? 469 THR A CB 1 ATOM 3749 O OG1 . THR A 1 469 ? 12.071 -10.073 26.772 1.00 44.17 ? 469 THR A OG1 1 ATOM 3750 C CG2 . THR A 1 469 ? 11.207 -10.429 24.557 1.00 36.72 ? 469 THR A CG2 1 ATOM 3751 N N . VAL A 1 470 ? 7.872 -9.426 26.043 1.00 24.73 ? 470 VAL A N 1 ATOM 3752 C CA . VAL A 1 470 ? 6.458 -9.459 25.446 1.00 24.53 ? 470 VAL A CA 1 ATOM 3753 C C . VAL A 1 470 ? 5.950 -8.023 25.221 1.00 20.20 ? 470 VAL A C 1 ATOM 3754 O O . VAL A 1 470 ? 5.452 -7.676 24.164 1.00 23.98 ? 470 VAL A O 1 ATOM 3755 C CB . VAL A 1 470 ? 5.512 -10.266 26.384 1.00 26.31 ? 470 VAL A CB 1 ATOM 3756 C CG1 . VAL A 1 470 ? 4.033 -10.071 25.998 1.00 23.03 ? 470 VAL A CG1 1 ATOM 3757 C CG2 . VAL A 1 470 ? 5.882 -11.741 26.355 1.00 28.15 ? 470 VAL A CG2 1 ATOM 3758 N N . LEU A 1 471 ? 6.107 -7.144 26.182 1.00 20.31 ? 471 LEU A N 1 ATOM 3759 C CA . LEU A 1 471 ? 5.585 -5.799 25.983 1.00 22.35 ? 471 LEU A CA 1 ATOM 3760 C C . LEU A 1 471 ? 6.560 -4.905 25.201 1.00 26.57 ? 471 LEU A C 1 ATOM 3761 O O . LEU A 1 471 ? 6.185 -3.848 24.708 1.00 19.90 ? 471 LEU A O 1 ATOM 3762 C CB . LEU A 1 471 ? 5.274 -5.175 27.302 1.00 21.85 ? 471 LEU A CB 1 ATOM 3763 C CG . LEU A 1 471 ? 4.272 -5.935 28.153 1.00 23.97 ? 471 LEU A CG 1 ATOM 3764 C CD1 . LEU A 1 471 ? 3.888 -5.126 29.349 1.00 23.44 ? 471 LEU A CD1 1 ATOM 3765 C CD2 . LEU A 1 471 ? 3.029 -6.237 27.357 1.00 24.94 ? 471 LEU A CD2 1 ATOM 3766 N N . LYS A 1 472 ? 7.810 -5.348 24.990 1.00 28.28 ? 472 LYS A N 1 ATOM 3767 C CA . LYS A 1 472 ? 8.763 -4.449 24.302 1.00 27.34 ? 472 LYS A CA 1 ATOM 3768 C C . LYS A 1 472 ? 8.845 -3.102 25.001 1.00 23.25 ? 472 LYS A C 1 ATOM 3769 O O . LYS A 1 472 ? 8.890 -2.048 24.379 1.00 26.04 ? 472 LYS A O 1 ATOM 3770 C CB . LYS A 1 472 ? 8.446 -4.289 22.827 1.00 30.08 ? 472 LYS A CB 1 ATOM 3771 C CG . LYS A 1 472 ? 8.709 -5.541 22.033 1.00 36.13 ? 472 LYS A CG 1 ATOM 3772 C CD . LYS A 1 472 ? 8.045 -5.407 20.667 1.00 40.27 ? 472 LYS A CD 1 ATOM 3773 C CE . LYS A 1 472 ? 8.528 -6.440 19.666 1.00 47.37 ? 472 LYS A CE 1 ATOM 3774 N NZ . LYS A 1 472 ? 9.022 -7.668 20.321 1.00 48.71 ? 472 LYS A NZ 1 ATOM 3775 N N . ASN A 1 473 ? 8.892 -3.140 26.321 1.00 24.47 ? 473 ASN A N 1 ATOM 3776 C CA . ASN A 1 473 ? 8.907 -1.967 27.114 1.00 27.16 ? 473 ASN A CA 1 ATOM 3777 C C . ASN A 1 473 ? 9.326 -2.223 28.525 1.00 29.95 ? 473 ASN A C 1 ATOM 3778 O O . ASN A 1 473 ? 8.564 -2.776 29.364 1.00 25.91 ? 473 ASN A O 1 ATOM 3779 C CB . ASN A 1 473 ? 7.513 -1.311 27.119 1.00 25.11 ? 473 ASN A CB 1 ATOM 3780 C CG . ASN A 1 473 ? 7.516 0.060 27.727 1.00 25.44 ? 473 ASN A CG 1 ATOM 3781 O OD1 . ASN A 1 473 ? 8.147 0.314 28.760 1.00 29.90 ? 473 ASN A OD1 1 ATOM 3782 N ND2 . ASN A 1 473 ? 6.733 0.946 27.150 1.00 27.13 ? 473 ASN A ND2 1 ATOM 3783 N N . LYS A 1 474 ? 10.510 -1.721 28.867 1.00 30.38 ? 474 LYS A N 1 ATOM 3784 C CA . LYS A 1 474 ? 11.052 -2.032 30.202 1.00 30.04 ? 474 LYS A CA 1 ATOM 3785 C C . LYS A 1 474 ? 10.310 -1.397 31.343 1.00 28.13 ? 474 LYS A C 1 ATOM 3786 O O . LYS A 1 474 ? 10.080 -2.005 32.397 1.00 27.69 ? 474 LYS A O 1 ATOM 3787 C CB . LYS A 1 474 ? 12.537 -1.630 30.331 1.00 35.78 ? 474 LYS A CB 1 ATOM 3788 C CG . LYS A 1 474 ? 13.461 -2.807 30.397 1.00 40.86 ? 474 LYS A CG 1 ATOM 3789 C CD . LYS A 1 474 ? 14.942 -2.462 30.408 1.00 47.84 ? 474 LYS A CD 1 ATOM 3790 C CE . LYS A 1 474 ? 15.800 -3.666 30.012 1.00 52.13 ? 474 LYS A CE 1 ATOM 3791 N NZ . LYS A 1 474 ? 17.240 -3.289 29.935 1.00 57.22 ? 474 LYS A NZ 1 ATOM 3792 N N . ILE A 1 475 ? 9.967 -0.140 31.167 1.00 27.12 ? 475 ILE A N 1 ATOM 3793 C CA . ILE A 1 475 ? 9.450 0.633 32.278 1.00 28.94 ? 475 ILE A CA 1 ATOM 3794 C C . ILE A 1 475 ? 7.978 0.227 32.571 1.00 26.28 ? 475 ILE A C 1 ATOM 3795 O O . ILE A 1 475 ? 7.569 0.175 33.721 1.00 24.46 ? 475 ILE A O 1 ATOM 3796 C CB . ILE A 1 475 ? 9.586 2.147 31.959 1.00 32.05 ? 475 ILE A CB 1 ATOM 3797 C CG1 . ILE A 1 475 ? 11.096 2.577 32.031 1.00 31.96 ? 475 ILE A CG1 1 ATOM 3798 C CG2 . ILE A 1 475 ? 8.713 2.982 32.886 1.00 32.01 ? 475 ILE A CG2 1 ATOM 3799 C CD1 . ILE A 1 475 ? 11.491 3.767 31.153 1.00 32.63 ? 475 ILE A CD1 1 ATOM 3800 N N . LEU A 1 476 ? 7.224 0.016 31.514 1.00 26.84 ? 476 LEU A N 1 ATOM 3801 C CA . LEU A 1 476 ? 5.837 -0.432 31.645 1.00 26.15 ? 476 LEU A CA 1 ATOM 3802 C C . LEU A 1 476 ? 5.767 -1.802 32.349 1.00 26.12 ? 476 LEU A C 1 ATOM 3803 O O . LEU A 1 476 ? 4.948 -1.998 33.287 1.00 26.87 ? 476 LEU A O 1 ATOM 3804 C CB . LEU A 1 476 ? 5.181 -0.513 30.271 1.00 25.55 ? 476 LEU A CB 1 ATOM 3805 C CG . LEU A 1 476 ? 3.734 -1.067 30.268 1.00 22.40 ? 476 LEU A CG 1 ATOM 3806 C CD1 . LEU A 1 476 ? 2.861 -0.259 31.194 1.00 26.80 ? 476 LEU A CD1 1 ATOM 3807 C CD2 . LEU A 1 476 ? 3.159 -1.070 28.856 1.00 23.21 ? 476 LEU A CD2 1 ATOM 3808 N N . ALA A 1 477 ? 6.570 -2.753 31.878 1.00 24.91 ? 477 ALA A N 1 ATOM 3809 C CA . ALA A 1 477 ? 6.670 -4.077 32.556 1.00 25.80 ? 477 ALA A CA 1 ATOM 3810 C C . ALA A 1 477 ? 7.051 -3.919 34.014 1.00 29.13 ? 477 ALA A C 1 ATOM 3811 O O . ALA A 1 477 ? 6.473 -4.589 34.929 1.00 30.33 ? 477 ALA A O 1 ATOM 3812 C CB . ALA A 1 477 ? 7.667 -4.982 31.816 1.00 26.99 ? 477 ALA A CB 1 ATOM 3813 N N . LYS A 1 478 ? 7.977 -2.984 34.301 1.00 29.71 ? 478 LYS A N 1 ATOM 3814 C CA . LYS A 1 478 ? 8.399 -2.806 35.683 1.00 29.60 ? 478 LYS A CA 1 ATOM 3815 C C . LYS A 1 478 ? 7.271 -2.267 36.535 1.00 27.78 ? 478 LYS A C 1 ATOM 3816 O O . LYS A 1 478 ? 7.070 -2.709 37.646 1.00 32.51 ? 478 LYS A O 1 ATOM 3817 C CB . LYS A 1 478 ? 9.618 -1.885 35.753 1.00 35.01 ? 478 LYS A CB 1 ATOM 3818 C CG . LYS A 1 478 ? 10.185 -1.717 37.136 1.00 40.83 ? 478 LYS A CG 1 ATOM 3819 C CD . LYS A 1 478 ? 11.422 -0.831 36.969 1.00 52.86 ? 478 LYS A CD 1 ATOM 3820 C CE . LYS A 1 478 ? 12.145 -0.548 38.284 1.00 61.57 ? 478 LYS A CE 1 ATOM 3821 N NZ . LYS A 1 478 ? 13.453 0.147 38.069 1.00 69.21 ? 478 LYS A NZ 1 ATOM 3822 N N . LYS A 1 479 ? 6.518 -1.304 36.019 1.00 27.83 ? 479 LYS A N 1 ATOM 3823 C CA . LYS A 1 479 ? 5.350 -0.802 36.763 1.00 29.23 ? 479 LYS A CA 1 ATOM 3824 C C . LYS A 1 479 ? 4.281 -1.906 37.021 1.00 25.67 ? 479 LYS A C 1 ATOM 3825 O O . LYS A 1 479 ? 3.725 -2.024 38.146 1.00 28.90 ? 479 LYS A O 1 ATOM 3826 C CB . LYS A 1 479 ? 4.724 0.377 36.005 1.00 30.00 ? 479 LYS A CB 1 ATOM 3827 C CG . LYS A 1 479 ? 5.549 1.668 36.069 1.00 30.91 ? 479 LYS A CG 1 ATOM 3828 C CD . LYS A 1 479 ? 4.987 2.722 35.125 1.00 32.71 ? 479 LYS A CD 1 ATOM 3829 C CE . LYS A 1 479 ? 5.864 3.956 34.999 1.00 33.79 ? 479 LYS A CE 1 ATOM 3830 N NZ . LYS A 1 479 ? 5.430 4.865 33.903 1.00 37.48 ? 479 LYS A NZ 1 ATOM 3831 N N . LEU A 1 480 ? 4.031 -2.712 36.014 1.00 25.16 ? 480 LEU A N 1 ATOM 3832 C CA . LEU A 1 480 ? 3.011 -3.778 36.162 1.00 24.88 ? 480 LEU A CA 1 ATOM 3833 C C . LEU A 1 480 ? 3.501 -4.857 37.146 1.00 27.68 ? 480 LEU A C 1 ATOM 3834 O O . LEU A 1 480 ? 2.742 -5.328 37.956 1.00 29.12 ? 480 LEU A O 1 ATOM 3835 C CB . LEU A 1 480 ? 2.725 -4.399 34.816 1.00 22.04 ? 480 LEU A CB 1 ATOM 3836 C CG . LEU A 1 480 ? 1.933 -3.559 33.820 1.00 22.76 ? 480 LEU A CG 1 ATOM 3837 C CD1 . LEU A 1 480 ? 2.123 -4.164 32.461 1.00 20.31 ? 480 LEU A CD1 1 ATOM 3838 C CD2 . LEU A 1 480 ? 0.447 -3.686 34.236 1.00 23.61 ? 480 LEU A CD2 1 ATOM 3839 N N . MET A 1 481 ? 4.795 -5.202 37.087 1.00 28.31 ? 481 MET A N 1 ATOM 3840 C CA . MET A 1 481 ? 5.385 -6.125 38.072 1.00 27.82 ? 481 MET A CA 1 ATOM 3841 C C . MET A 1 481 ? 5.350 -5.581 39.473 1.00 29.70 ? 481 MET A C 1 ATOM 3842 O O . MET A 1 481 ? 4.999 -6.314 40.387 1.00 31.01 ? 481 MET A O 1 ATOM 3843 C CB . MET A 1 481 ? 6.807 -6.561 37.690 1.00 29.69 ? 481 MET A CB 1 ATOM 3844 C CG . MET A 1 481 ? 6.888 -7.557 36.572 1.00 31.40 ? 481 MET A CG 1 ATOM 3845 S SD . MET A 1 481 ? 6.000 -9.113 36.894 1.00 35.62 ? 481 MET A SD 1 ATOM 3846 C CE . MET A 1 481 ? 7.243 -10.015 37.827 1.00 42.53 ? 481 MET A CE 1 ATOM 3847 N N . ASP A 1 482 ? 5.613 -4.287 39.660 1.00 33.54 ? 482 ASP A N 1 ATOM 3848 C CA . ASP A 1 482 ? 5.523 -3.669 40.977 1.00 30.38 ? 482 ASP A CA 1 ATOM 3849 C C . ASP A 1 482 ? 4.153 -3.704 41.573 1.00 31.21 ? 482 ASP A C 1 ATOM 3850 O O . ASP A 1 482 ? 4.000 -3.874 42.755 1.00 31.00 ? 482 ASP A O 1 ATOM 3851 C CB . ASP A 1 482 ? 5.979 -2.215 40.942 1.00 36.39 ? 482 ASP A CB 1 ATOM 3852 C CG . ASP A 1 482 ? 7.490 -2.096 40.879 1.00 41.59 ? 482 ASP A CG 1 ATOM 3853 O OD1 . ASP A 1 482 ? 8.167 -3.113 41.139 1.00 37.87 ? 482 ASP A OD1 1 ATOM 3854 O OD2 . ASP A 1 482 ? 7.980 -1.005 40.535 1.00 45.73 ? 482 ASP A OD2 1 ATOM 3855 N N . LEU A 1 483 ? 3.158 -3.511 40.749 1.00 28.00 ? 483 LEU A N 1 ATOM 3856 C CA . LEU A 1 483 ? 1.816 -3.541 41.208 1.00 29.72 ? 483 LEU A CA 1 ATOM 3857 C C . LEU A 1 483 ? 1.243 -4.944 41.341 1.00 27.25 ? 483 LEU A C 1 ATOM 3858 O O . LEU A 1 483 ? 0.476 -5.197 42.264 1.00 27.99 ? 483 LEU A O 1 ATOM 3859 C CB . LEU A 1 483 ? 0.944 -2.763 40.209 1.00 31.18 ? 483 LEU A CB 1 ATOM 3860 C CG . LEU A 1 483 ? 1.082 -1.260 40.378 1.00 35.31 ? 483 LEU A CG 1 ATOM 3861 C CD1 . LEU A 1 483 ? 0.557 -0.610 39.119 1.00 33.51 ? 483 LEU A CD1 1 ATOM 3862 C CD2 . LEU A 1 483 ? 0.341 -0.756 41.631 1.00 37.49 ? 483 LEU A CD2 1 ATOM 3863 N N . TYR A 1 484 ? 1.462 -5.786 40.338 1.00 27.22 ? 484 TYR A N 1 ATOM 3864 C CA . TYR A 1 484 ? 0.769 -7.090 40.254 1.00 26.69 ? 484 TYR A CA 1 ATOM 3865 C C . TYR A 1 484 ? 1.584 -8.277 40.759 1.00 27.52 ? 484 TYR A C 1 ATOM 3866 O O . TYR A 1 484 ? 1.001 -9.310 41.134 1.00 22.47 ? 484 TYR A O 1 ATOM 3867 C CB . TYR A 1 484 ? 0.362 -7.379 38.821 1.00 24.55 ? 484 TYR A CB 1 ATOM 3868 C CG . TYR A 1 484 ? -0.801 -6.592 38.341 1.00 20.89 ? 484 TYR A CG 1 ATOM 3869 C CD1 . TYR A 1 484 ? -2.106 -6.940 38.726 1.00 21.52 ? 484 TYR A CD1 1 ATOM 3870 C CD2 . TYR A 1 484 ? -0.642 -5.511 37.505 1.00 21.12 ? 484 TYR A CD2 1 ATOM 3871 C CE1 . TYR A 1 484 ? -3.198 -6.234 38.241 1.00 18.89 ? 484 TYR A CE1 1 ATOM 3872 C CE2 . TYR A 1 484 ? -1.754 -4.782 37.047 1.00 23.05 ? 484 TYR A CE2 1 ATOM 3873 C CZ . TYR A 1 484 ? -3.017 -5.166 37.420 1.00 19.04 ? 484 TYR A CZ 1 ATOM 3874 O OH . TYR A 1 484 ? -4.127 -4.502 36.925 1.00 21.15 ? 484 TYR A OH 1 ATOM 3875 N N . LYS A 1 485 ? 2.913 -8.153 40.687 1.00 27.69 ? 485 LYS A N 1 ATOM 3876 C CA . LYS A 1 485 ? 3.906 -9.113 41.254 1.00 28.98 ? 485 LYS A CA 1 ATOM 3877 C C . LYS A 1 485 ? 4.174 -10.294 40.351 1.00 28.50 ? 485 LYS A C 1 ATOM 3878 O O . LYS A 1 485 ? 5.288 -10.789 40.276 1.00 26.57 ? 485 LYS A O 1 ATOM 3879 C CB . LYS A 1 485 ? 3.543 -9.592 42.652 1.00 29.32 ? 485 LYS A CB 1 ATOM 3880 C CG . LYS A 1 485 ? 3.188 -8.520 43.641 1.00 34.06 ? 485 LYS A CG 1 ATOM 3881 C CD . LYS A 1 485 ? 4.249 -7.439 43.861 1.00 37.08 ? 485 LYS A CD 1 ATOM 3882 C CE . LYS A 1 485 ? 3.786 -6.529 45.016 1.00 38.33 ? 485 LYS A CE 1 ATOM 3883 N NZ . LYS A 1 485 ? 4.576 -5.286 45.125 1.00 41.26 ? 485 LYS A NZ 1 ATOM 3884 N N . THR A 1 486 ? 3.128 -10.765 39.678 1.00 25.82 ? 486 THR A N 1 ATOM 3885 C CA . THR A 1 486 ? 3.245 -11.774 38.722 1.00 24.33 ? 486 THR A CA 1 ATOM 3886 C C . THR A 1 486 ? 2.345 -11.385 37.545 1.00 25.72 ? 486 THR A C 1 ATOM 3887 O O . THR A 1 486 ? 1.248 -10.890 37.764 1.00 25.97 ? 486 THR A O 1 ATOM 3888 C CB . THR A 1 486 ? 2.839 -13.169 39.253 1.00 24.94 ? 486 THR A CB 1 ATOM 3889 O OG1 . THR A 1 486 ? 2.787 -14.060 38.133 1.00 24.64 ? 486 THR A OG1 1 ATOM 3890 C CG2 . THR A 1 486 ? 1.496 -13.202 39.939 1.00 25.15 ? 486 THR A CG2 1 ATOM 3891 N N . PRO A 1 487 ? 2.794 -11.633 36.327 1.00 24.33 ? 487 PRO A N 1 ATOM 3892 C CA . PRO A 1 487 ? 1.958 -11.418 35.214 1.00 24.16 ? 487 PRO A CA 1 ATOM 3893 C C . PRO A 1 487 ? 0.690 -12.280 35.203 1.00 28.11 ? 487 PRO A C 1 ATOM 3894 O O . PRO A 1 487 ? -0.254 -11.927 34.531 1.00 28.06 ? 487 PRO A O 1 ATOM 3895 C CB . PRO A 1 487 ? 2.859 -11.775 34.008 1.00 25.96 ? 487 PRO A CB 1 ATOM 3896 C CG . PRO A 1 487 ? 4.240 -11.654 34.479 1.00 25.97 ? 487 PRO A CG 1 ATOM 3897 C CD . PRO A 1 487 ? 4.138 -12.080 35.900 1.00 28.31 ? 487 PRO A CD 1 ATOM 3898 N N . ASP A 1 488 ? 0.657 -13.378 35.961 1.00 26.70 ? 488 ASP A N 1 ATOM 3899 C CA . ASP A 1 488 ? -0.513 -14.222 36.008 1.00 25.02 ? 488 ASP A CA 1 ATOM 3900 C C . ASP A 1 488 ? -1.635 -13.424 36.597 1.00 24.53 ? 488 ASP A C 1 ATOM 3901 O O . ASP A 1 488 ? -2.756 -13.773 36.333 1.00 25.27 ? 488 ASP A O 1 ATOM 3902 C CB . ASP A 1 488 ? -0.343 -15.450 36.896 1.00 28.48 ? 488 ASP A CB 1 ATOM 3903 C CG . ASP A 1 488 ? 0.745 -16.391 36.433 1.00 31.99 ? 488 ASP A CG 1 ATOM 3904 O OD1 . ASP A 1 488 ? 1.007 -16.477 35.227 1.00 32.24 ? 488 ASP A OD1 1 ATOM 3905 O OD2 . ASP A 1 488 ? 1.334 -17.088 37.296 1.00 38.08 ? 488 ASP A OD2 1 ATOM 3906 N N . ASN A 1 489 ? -1.336 -12.361 37.365 1.00 23.10 ? 489 ASN A N 1 ATOM 3907 C CA . ASN A 1 489 ? -2.352 -11.569 38.037 1.00 22.15 ? 489 ASN A CA 1 ATOM 3908 C C . ASN A 1 489 ? -2.818 -10.266 37.323 1.00 20.58 ? 489 ASN A C 1 ATOM 3909 O O . ASN A 1 489 ? -3.719 -9.555 37.825 1.00 23.36 ? 489 ASN A O 1 ATOM 3910 C CB . ASN A 1 489 ? -1.915 -11.209 39.432 1.00 23.02 ? 489 ASN A CB 1 ATOM 3911 C CG . ASN A 1 489 ? -1.953 -12.387 40.423 1.00 24.12 ? 489 ASN A CG 1 ATOM 3912 O OD1 . ASN A 1 489 ? -2.261 -13.548 40.092 1.00 23.94 ? 489 ASN A OD1 1 ATOM 3913 N ND2 . ASN A 1 489 ? -1.702 -12.049 41.668 1.00 22.70 ? 489 ASN A ND2 1 ATOM 3914 N N . ILE A 1 490 ? -2.173 -9.939 36.204 1.00 21.25 ? 490 ILE A N 1 ATOM 3915 C CA . ILE A 1 490 ? -2.488 -8.751 35.472 1.00 21.62 ? 490 ILE A CA 1 ATOM 3916 C C . ILE A 1 490 ? -3.919 -8.916 34.942 1.00 19.08 ? 490 ILE A C 1 ATOM 3917 O O . ILE A 1 490 ? -4.218 -9.873 34.252 1.00 18.49 ? 490 ILE A O 1 ATOM 3918 C CB . ILE A 1 490 ? -1.480 -8.506 34.336 1.00 21.21 ? 490 ILE A CB 1 ATOM 3919 C CG1 . ILE A 1 490 ? -0.039 -8.177 34.892 1.00 22.19 ? 490 ILE A CG1 1 ATOM 3920 C CG2 . ILE A 1 490 ? -1.941 -7.331 33.447 1.00 22.19 ? 490 ILE A CG2 1 ATOM 3921 C CD1 . ILE A 1 490 ? 1.012 -8.148 33.802 1.00 22.18 ? 490 ILE A CD1 1 ATOM 3922 N N . ASP A 1 491 ? -4.753 -7.945 35.244 1.00 20.14 ? 491 ASP A N 1 ATOM 3923 C CA . ASP A 1 491 ? -6.141 -7.966 34.775 1.00 19.71 ? 491 ASP A CA 1 ATOM 3924 C C . ASP A 1 491 ? -6.142 -7.875 33.225 1.00 20.77 ? 491 ASP A C 1 ATOM 3925 O O . ASP A 1 491 ? -5.353 -7.117 32.624 1.00 16.82 ? 491 ASP A O 1 ATOM 3926 C CB . ASP A 1 491 ? -6.898 -6.807 35.380 1.00 19.55 ? 491 ASP A CB 1 ATOM 3927 C CG . ASP A 1 491 ? -6.958 -6.855 36.908 1.00 20.02 ? 491 ASP A CG 1 ATOM 3928 O OD1 . ASP A 1 491 ? -7.610 -7.759 37.499 1.00 18.69 ? 491 ASP A OD1 1 ATOM 3929 O OD2 . ASP A 1 491 ? -6.398 -5.877 37.494 1.00 19.95 ? 491 ASP A OD2 1 ATOM 3930 N N . ILE A 1 492 ? -7.058 -8.588 32.584 1.00 21.07 ? 492 ILE A N 1 ATOM 3931 C CA . ILE A 1 492 ? -7.009 -8.765 31.138 1.00 18.89 ? 492 ILE A CA 1 ATOM 3932 C C . ILE A 1 492 ? -7.060 -7.433 30.387 1.00 18.87 ? 492 ILE A C 1 ATOM 3933 O O . ILE A 1 492 ? -6.402 -7.278 29.382 1.00 18.18 ? 492 ILE A O 1 ATOM 3934 C CB . ILE A 1 492 ? -8.047 -9.828 30.689 1.00 18.39 ? 492 ILE A CB 1 ATOM 3935 C CG1 . ILE A 1 492 ? -7.977 -10.119 29.195 1.00 18.12 ? 492 ILE A CG1 1 ATOM 3936 C CG2 . ILE A 1 492 ? -9.465 -9.461 31.128 1.00 18.47 ? 492 ILE A CG2 1 ATOM 3937 C CD1 . ILE A 1 492 ? -6.593 -10.561 28.716 1.00 18.87 ? 492 ILE A CD1 1 ATOM 3938 N N . TRP A 1 493 ? -7.872 -6.488 30.851 1.00 19.86 ? 493 TRP A N 1 ATOM 3939 C CA . TRP A 1 493 ? -8.075 -5.241 30.118 1.00 18.46 ? 493 TRP A CA 1 ATOM 3940 C C . TRP A 1 493 ? -6.721 -4.536 29.981 1.00 18.37 ? 493 TRP A C 1 ATOM 3941 O O . TRP A 1 493 ? -6.373 -4.053 28.897 1.00 17.97 ? 493 TRP A O 1 ATOM 3942 C CB . TRP A 1 493 ? -9.045 -4.283 30.828 1.00 15.57 ? 493 TRP A CB 1 ATOM 3943 C CG . TRP A 1 493 ? -9.145 -3.008 30.107 1.00 15.62 ? 493 TRP A CG 1 ATOM 3944 C CD1 . TRP A 1 493 ? -9.756 -2.810 28.925 1.00 17.05 ? 493 TRP A CD1 1 ATOM 3945 C CD2 . TRP A 1 493 ? -8.611 -1.768 30.474 1.00 16.66 ? 493 TRP A CD2 1 ATOM 3946 N NE1 . TRP A 1 493 ? -9.661 -1.538 28.534 1.00 17.62 ? 493 TRP A NE1 1 ATOM 3947 C CE2 . TRP A 1 493 ? -8.929 -0.862 29.451 1.00 17.42 ? 493 TRP A CE2 1 ATOM 3948 C CE3 . TRP A 1 493 ? -7.828 -1.331 31.527 1.00 16.20 ? 493 TRP A CE3 1 ATOM 3949 C CZ2 . TRP A 1 493 ? -8.501 0.493 29.471 1.00 16.83 ? 493 TRP A CZ2 1 ATOM 3950 C CZ3 . TRP A 1 493 ? -7.480 0.009 31.595 1.00 15.90 ? 493 TRP A CZ3 1 ATOM 3951 C CH2 . TRP A 1 493 ? -7.795 0.894 30.608 1.00 15.18 ? 493 TRP A CH2 1 ATOM 3952 N N . ILE A 1 494 ? -5.993 -4.416 31.084 1.00 17.01 ? 494 ILE A N 1 ATOM 3953 C CA . ILE A 1 494 ? -4.721 -3.693 31.030 1.00 16.64 ? 494 ILE A CA 1 ATOM 3954 C C . ILE A 1 494 ? -3.616 -4.551 30.386 1.00 17.56 ? 494 ILE A C 1 ATOM 3955 O O . ILE A 1 494 ? -2.831 -4.041 29.560 1.00 18.88 ? 494 ILE A O 1 ATOM 3956 C CB . ILE A 1 494 ? -4.307 -3.061 32.351 1.00 16.69 ? 494 ILE A CB 1 ATOM 3957 C CG1 . ILE A 1 494 ? -3.068 -2.146 32.165 1.00 20.64 ? 494 ILE A CG1 1 ATOM 3958 C CG2 . ILE A 1 494 ? -3.950 -4.077 33.451 1.00 17.11 ? 494 ILE A CG2 1 ATOM 3959 C CD1 . ILE A 1 494 ? -3.291 -0.996 31.235 1.00 19.87 ? 494 ILE A CD1 1 ATOM 3960 N N . GLY A 1 495 ? -3.561 -5.825 30.712 1.00 18.50 ? 495 GLY A N 1 ATOM 3961 C CA . GLY A 1 495 ? -2.635 -6.728 30.069 1.00 19.87 ? 495 GLY A CA 1 ATOM 3962 C C . GLY A 1 495 ? -2.766 -6.709 28.591 1.00 21.61 ? 495 GLY A C 1 ATOM 3963 O O . GLY A 1 495 ? -1.784 -6.477 27.870 1.00 19.03 ? 495 GLY A O 1 ATOM 3964 N N . GLY A 1 496 ? -3.998 -6.930 28.083 1.00 17.97 ? 496 GLY A N 1 ATOM 3965 C CA . GLY A 1 496 ? -4.175 -6.949 26.641 1.00 16.19 ? 496 GLY A CA 1 ATOM 3966 C C . GLY A 1 496 ? -3.830 -5.638 25.991 1.00 18.86 ? 496 GLY A C 1 ATOM 3967 O O . GLY A 1 496 ? -3.260 -5.594 24.880 1.00 19.05 ? 496 GLY A O 1 ATOM 3968 N N . ASN A 1 497 ? -4.166 -4.536 26.648 1.00 16.57 ? 497 ASN A N 1 ATOM 3969 C CA . ASN A 1 497 ? -3.975 -3.268 25.984 1.00 17.36 ? 497 ASN A CA 1 ATOM 3970 C C . ASN A 1 497 ? -2.507 -2.783 26.066 1.00 16.88 ? 497 ASN A C 1 ATOM 3971 O O . ASN A 1 497 ? -2.151 -1.843 25.376 1.00 19.40 ? 497 ASN A O 1 ATOM 3972 C CB . ASN A 1 497 ? -4.903 -2.210 26.467 1.00 16.64 ? 497 ASN A CB 1 ATOM 3973 C CG . ASN A 1 497 ? -6.254 -2.381 25.881 1.00 19.19 ? 497 ASN A CG 1 ATOM 3974 O OD1 . ASN A 1 497 ? -6.411 -2.256 24.681 1.00 17.04 ? 497 ASN A OD1 1 ATOM 3975 N ND2 . ASN A 1 497 ? -7.237 -2.798 26.712 1.00 20.62 ? 497 ASN A ND2 1 ATOM 3976 N N . ALA A 1 498 ? -1.720 -3.384 26.912 1.00 18.18 ? 498 ALA A N 1 ATOM 3977 C CA . ALA A 1 498 ? -0.296 -2.999 27.088 1.00 18.28 ? 498 ALA A CA 1 ATOM 3978 C C . ALA A 1 498 ? 0.589 -3.576 26.021 1.00 19.75 ? 498 ALA A C 1 ATOM 3979 O O . ALA A 1 498 ? 1.703 -3.073 25.827 1.00 20.26 ? 498 ALA A O 1 ATOM 3980 C CB . ALA A 1 498 ? 0.158 -3.428 28.472 1.00 19.45 ? 498 ALA A CB 1 ATOM 3981 N N . GLU A 1 499 ? 0.097 -4.537 25.233 1.00 21.49 ? 499 GLU A N 1 ATOM 3982 C CA . GLU A 1 499 ? 0.914 -5.134 24.162 1.00 21.34 ? 499 GLU A CA 1 ATOM 3983 C C . GLU A 1 499 ? 1.045 -4.240 22.961 1.00 24.30 ? 499 GLU A C 1 ATOM 3984 O O . GLU A 1 499 ? 0.059 -3.653 22.478 1.00 21.07 ? 499 GLU A O 1 ATOM 3985 C CB . GLU A 1 499 ? 0.398 -6.498 23.693 1.00 19.77 ? 499 GLU A CB 1 ATOM 3986 C CG . GLU A 1 499 ? 0.193 -7.487 24.832 1.00 21.34 ? 499 GLU A CG 1 ATOM 3987 C CD . GLU A 1 499 ? -0.245 -8.853 24.400 1.00 18.31 ? 499 GLU A CD 1 ATOM 3988 O OE1 . GLU A 1 499 ? -0.658 -8.947 23.259 1.00 17.87 ? 499 GLU A OE1 1 ATOM 3989 O OE2 . GLU A 1 499 ? -0.156 -9.856 25.193 1.00 19.30 ? 499 GLU A OE2 1 ATOM 3990 N N . PRO A 1 500 ? 2.264 -4.196 22.378 1.00 20.69 ? 500 PRO A N 1 ATOM 3991 C CA . PRO A 1 500 ? 2.386 -3.387 21.177 1.00 22.14 ? 500 PRO A CA 1 ATOM 3992 C C . PRO A 1 500 ? 1.490 -3.838 20.037 1.00 22.29 ? 500 PRO A C 1 ATOM 3993 O O . PRO A 1 500 ? 1.255 -5.013 19.858 1.00 23.44 ? 500 PRO A O 1 ATOM 3994 C CB . PRO A 1 500 ? 3.884 -3.541 20.801 1.00 23.62 ? 500 PRO A CB 1 ATOM 3995 C CG . PRO A 1 500 ? 4.550 -3.847 22.090 1.00 25.03 ? 500 PRO A CG 1 ATOM 3996 C CD . PRO A 1 500 ? 3.555 -4.644 22.932 1.00 21.66 ? 500 PRO A CD 1 ATOM 3997 N N . MET A 1 501 ? 1.037 -2.926 19.214 1.00 22.35 ? 501 MET A N 1 ATOM 3998 C CA . MET A 1 501 ? 0.095 -3.260 18.167 1.00 25.67 ? 501 MET A CA 1 ATOM 3999 C C . MET A 1 501 ? 0.674 -4.105 17.024 1.00 31.34 ? 501 MET A C 1 ATOM 4000 O O . MET A 1 501 ? 1.833 -3.971 16.682 1.00 30.03 ? 501 MET A O 1 ATOM 4001 C CB . MET A 1 501 ? -0.387 -1.998 17.533 1.00 32.10 ? 501 MET A CB 1 ATOM 4002 C CG . MET A 1 501 ? -1.059 -1.061 18.476 1.00 37.65 ? 501 MET A CG 1 ATOM 4003 S SD . MET A 1 501 ? -1.253 0.464 17.527 1.00 42.88 ? 501 MET A SD 1 ATOM 4004 C CE . MET A 1 501 ? -2.231 1.228 18.766 1.00 39.52 ? 501 MET A CE 1 ATOM 4005 N N . VAL A 1 502 ? -0.151 -4.975 16.468 1.00 30.32 ? 502 VAL A N 1 ATOM 4006 C CA . VAL A 1 502 ? 0.229 -5.805 15.361 1.00 31.91 ? 502 VAL A CA 1 ATOM 4007 C C . VAL A 1 502 ? 0.414 -4.920 14.126 1.00 31.60 ? 502 VAL A C 1 ATOM 4008 O O . VAL A 1 502 ? -0.228 -3.866 13.990 1.00 25.41 ? 502 VAL A O 1 ATOM 4009 C CB . VAL A 1 502 ? -0.817 -6.915 15.045 1.00 27.92 ? 502 VAL A CB 1 ATOM 4010 C CG1 . VAL A 1 502 ? -1.078 -7.819 16.268 1.00 32.26 ? 502 VAL A CG1 1 ATOM 4011 C CG2 . VAL A 1 502 ? -2.117 -6.378 14.475 1.00 28.93 ? 502 VAL A CG2 1 ATOM 4012 N N . GLU A 1 503 ? 1.295 -5.382 13.237 1.00 33.68 ? 503 GLU A N 1 ATOM 4013 C CA . GLU A 1 503 ? 1.502 -4.697 11.956 1.00 33.64 ? 503 GLU A CA 1 ATOM 4014 C C . GLU A 1 503 ? 0.183 -4.458 11.283 1.00 24.70 ? 503 GLU A C 1 ATOM 4015 O O . GLU A 1 503 ? -0.572 -5.352 11.129 1.00 28.60 ? 503 GLU A O 1 ATOM 4016 C CB . GLU A 1 503 ? 2.508 -5.460 11.013 1.00 32.92 ? 503 GLU A CB 1 ATOM 4017 C CG . GLU A 1 503 ? 3.347 -4.493 10.162 1.00 40.42 ? 503 GLU A CG 1 ATOM 4018 C CD . GLU A 1 503 ? 4.126 -3.449 11.004 1.00 47.14 ? 503 GLU A CD 1 ATOM 4019 O OE1 . GLU A 1 503 ? 4.107 -2.192 10.663 1.00 28.94 ? 503 GLU A OE1 1 ATOM 4020 O OE2 . GLU A 1 503 ? 4.698 -3.904 12.053 1.00 47.95 ? 503 GLU A OE2 1 ATOM 4021 N N . ARG A 1 504 ? -0.075 -3.200 10.911 1.00 27.70 ? 504 ARG A N 1 ATOM 4022 C CA . ARG A 1 504 ? -1.237 -2.673 10.138 1.00 31.48 ? 504 ARG A CA 1 ATOM 4023 C C . ARG A 1 504 ? -2.550 -2.654 10.951 1.00 29.97 ? 504 ARG A C 1 ATOM 4024 O O . ARG A 1 504 ? -3.625 -2.575 10.374 1.00 31.54 ? 504 ARG A O 1 ATOM 4025 C CB . ARG A 1 504 ? -1.436 -3.397 8.799 1.00 38.54 ? 504 ARG A CB 1 ATOM 4026 C CG . ARG A 1 504 ? -0.175 -3.451 7.931 1.00 46.95 ? 504 ARG A CG 1 ATOM 4027 C CD . ARG A 1 504 ? -0.462 -3.994 6.508 1.00 50.66 ? 504 ARG A CD 1 ATOM 4028 N NE . ARG A 1 504 ? -1.020 -5.361 6.522 1.00 48.31 ? 504 ARG A NE 1 ATOM 4029 C CZ . ARG A 1 504 ? -0.326 -6.484 6.730 1.00 49.26 ? 504 ARG A CZ 1 ATOM 4030 N NH1 . ARG A 1 504 ? 1.005 -6.465 6.939 1.00 53.30 ? 504 ARG A NH1 1 ATOM 4031 N NH2 . ARG A 1 504 ? -0.967 -7.645 6.720 1.00 47.17 ? 504 ARG A NH2 1 ATOM 4032 N N . GLY A 1 505 ? -2.446 -2.816 12.277 1.00 31.18 ? 505 GLY A N 1 ATOM 4033 C CA . GLY A 1 505 ? -3.657 -2.979 13.146 1.00 27.28 ? 505 GLY A CA 1 ATOM 4034 C C . GLY A 1 505 ? -3.508 -2.030 14.324 1.00 25.66 ? 505 GLY A C 1 ATOM 4035 O O . GLY A 1 505 ? -2.555 -1.278 14.387 1.00 21.49 ? 505 GLY A O 1 ATOM 4036 N N . ARG A 1 506 ? -4.469 -2.046 15.252 1.00 24.12 ? 506 ARG A N 1 ATOM 4037 C CA . ARG A 1 506 ? -4.457 -1.130 16.372 1.00 22.90 ? 506 ARG A CA 1 ATOM 4038 C C . ARG A 1 506 ? -4.584 -1.818 17.743 1.00 23.70 ? 506 ARG A C 1 ATOM 4039 O O . ARG A 1 506 ? -4.823 -1.151 18.754 1.00 21.24 ? 506 ARG A O 1 ATOM 4040 C CB . ARG A 1 506 ? -5.568 -0.082 16.150 1.00 23.33 ? 506 ARG A CB 1 ATOM 4041 C CG . ARG A 1 506 ? -5.227 0.884 14.979 1.00 25.02 ? 506 ARG A CG 1 ATOM 4042 C CD . ARG A 1 506 ? -4.114 1.820 15.422 1.00 25.29 ? 506 ARG A CD 1 ATOM 4043 N NE . ARG A 1 506 ? -3.815 2.826 14.381 1.00 23.46 ? 506 ARG A NE 1 ATOM 4044 C CZ . ARG A 1 506 ? -2.909 2.668 13.418 1.00 26.07 ? 506 ARG A CZ 1 ATOM 4045 N NH1 . ARG A 1 506 ? -2.297 1.514 13.235 1.00 25.21 ? 506 ARG A NH1 1 ATOM 4046 N NH2 . ARG A 1 506 ? -2.686 3.663 12.565 1.00 27.92 ? 506 ARG A NH2 1 ATOM 4047 N N . VAL A 1 507 ? -4.394 -3.132 17.754 1.00 21.08 ? 507 VAL A N 1 ATOM 4048 C CA . VAL A 1 507 ? -4.328 -3.908 18.946 1.00 20.23 ? 507 VAL A CA 1 ATOM 4049 C C . VAL A 1 507 ? -3.235 -4.890 18.816 1.00 22.22 ? 507 VAL A C 1 ATOM 4050 O O . VAL A 1 507 ? -2.754 -5.188 17.698 1.00 21.70 ? 507 VAL A O 1 ATOM 4051 C CB . VAL A 1 507 ? -5.628 -4.705 19.193 1.00 19.02 ? 507 VAL A CB 1 ATOM 4052 C CG1 . VAL A 1 507 ? -6.789 -3.786 19.463 1.00 19.64 ? 507 VAL A CG1 1 ATOM 4053 C CG2 . VAL A 1 507 ? -5.922 -5.700 18.031 1.00 18.98 ? 507 VAL A CG2 1 ATOM 4054 N N . GLY A 1 508 ? -2.815 -5.368 19.968 1.00 22.98 ? 508 GLY A N 1 ATOM 4055 C CA . GLY A 1 508 ? -1.707 -6.307 20.086 1.00 22.54 ? 508 GLY A CA 1 ATOM 4056 C C . GLY A 1 508 ? -2.092 -7.772 19.773 1.00 23.18 ? 508 GLY A C 1 ATOM 4057 O O . GLY A 1 508 ? -3.216 -8.077 19.410 1.00 19.97 ? 508 GLY A O 1 ATOM 4058 N N . PRO A 1 509 ? -1.150 -8.680 19.903 1.00 21.50 ? 509 PRO A N 1 ATOM 4059 C CA . PRO A 1 509 ? -1.462 -10.052 19.512 1.00 23.19 ? 509 PRO A CA 1 ATOM 4060 C C . PRO A 1 509 ? -2.571 -10.764 20.364 1.00 20.41 ? 509 PRO A C 1 ATOM 4061 O O . PRO A 1 509 ? -3.350 -11.526 19.838 1.00 19.73 ? 509 PRO A O 1 ATOM 4062 C CB . PRO A 1 509 ? -0.149 -10.770 19.677 1.00 25.23 ? 509 PRO A CB 1 ATOM 4063 C CG . PRO A 1 509 ? 0.776 -9.839 20.392 1.00 30.02 ? 509 PRO A CG 1 ATOM 4064 C CD . PRO A 1 509 ? 0.264 -8.460 20.167 1.00 27.75 ? 509 PRO A CD 1 ATOM 4065 N N . LEU A 1 510 ? -2.544 -10.578 21.657 1.00 18.62 ? 510 LEU A N 1 ATOM 4066 C CA . LEU A 1 510 ? -3.528 -11.211 22.530 1.00 19.66 ? 510 LEU A CA 1 ATOM 4067 C C . LEU A 1 510 ? -4.915 -10.745 22.104 1.00 18.15 ? 510 LEU A C 1 ATOM 4068 O O . LEU A 1 510 ? -5.780 -11.573 21.843 1.00 19.38 ? 510 LEU A O 1 ATOM 4069 C CB . LEU A 1 510 ? -3.268 -10.885 23.989 1.00 18.83 ? 510 LEU A CB 1 ATOM 4070 C CG . LEU A 1 510 ? -4.244 -11.417 25.037 1.00 18.47 ? 510 LEU A CG 1 ATOM 4071 C CD1 . LEU A 1 510 ? -4.554 -12.891 24.879 1.00 18.85 ? 510 LEU A CD1 1 ATOM 4072 C CD2 . LEU A 1 510 ? -3.844 -11.062 26.476 1.00 21.33 ? 510 LEU A CD2 1 ATOM 4073 N N . LEU A 1 511 ? -5.129 -9.430 22.050 1.00 17.86 ? 511 LEU A N 1 ATOM 4074 C CA . LEU A 1 511 ? -6.486 -8.874 21.689 1.00 17.55 ? 511 LEU A CA 1 ATOM 4075 C C . LEU A 1 511 ? -6.848 -9.245 20.302 1.00 18.78 ? 511 LEU A C 1 ATOM 4076 O O . LEU A 1 511 ? -8.006 -9.594 20.009 1.00 16.23 ? 511 LEU A O 1 ATOM 4077 C CB . LEU A 1 511 ? -6.499 -7.329 21.861 1.00 18.72 ? 511 LEU A CB 1 ATOM 4078 C CG . LEU A 1 511 ? -6.289 -6.905 23.331 1.00 20.10 ? 511 LEU A CG 1 ATOM 4079 C CD1 . LEU A 1 511 ? -6.193 -5.395 23.438 1.00 22.23 ? 511 LEU A CD1 1 ATOM 4080 C CD2 . LEU A 1 511 ? -7.463 -7.393 24.181 1.00 23.37 ? 511 LEU A CD2 1 ATOM 4081 N N . ALA A 1 512 ? -5.852 -9.267 19.397 1.00 18.12 ? 512 ALA A N 1 ATOM 4082 C CA . ALA A 1 512 ? -6.177 -9.755 18.008 1.00 18.06 ? 512 ALA A CA 1 ATOM 4083 C C . ALA A 1 512 ? -6.817 -11.124 18.019 1.00 17.66 ? 512 ALA A C 1 ATOM 4084 O O . ALA A 1 512 ? -7.693 -11.377 17.226 1.00 19.43 ? 512 ALA A O 1 ATOM 4085 C CB . ALA A 1 512 ? -4.959 -9.781 17.063 1.00 19.86 ? 512 ALA A CB 1 ATOM 4086 N N . CYS A 1 513 ? -6.290 -12.013 18.836 1.00 18.96 ? 513 CYS A N 1 ATOM 4087 C CA . CYS A 1 513 ? -6.791 -13.349 18.945 1.00 20.44 ? 513 CYS A CA 1 ATOM 4088 C C . CYS A 1 513 ? -8.232 -13.348 19.621 1.00 18.93 ? 513 CYS A C 1 ATOM 4089 O O . CYS A 1 513 ? -9.181 -13.885 19.073 1.00 19.67 ? 513 CYS A O 1 ATOM 4090 C CB . CYS A 1 513 ? -5.799 -14.206 19.703 1.00 21.38 ? 513 CYS A CB 1 ATOM 4091 S SG . CYS A 1 513 ? -6.497 -15.653 20.461 1.00 22.71 ? 513 CYS A SG 1 ATOM 4092 N N . LEU A 1 514 ? -8.376 -12.669 20.732 1.00 17.45 ? 514 LEU A N 1 ATOM 4093 C CA . LEU A 1 514 ? -9.716 -12.639 21.419 1.00 16.96 ? 514 LEU A CA 1 ATOM 4094 C C . LEU A 1 514 ? -10.783 -11.981 20.533 1.00 17.01 ? 514 LEU A C 1 ATOM 4095 O O . LEU A 1 514 ? -11.854 -12.566 20.291 1.00 19.96 ? 514 LEU A O 1 ATOM 4096 C CB . LEU A 1 514 ? -9.587 -11.933 22.730 1.00 16.70 ? 514 LEU A CB 1 ATOM 4097 C CG . LEU A 1 514 ? -8.566 -12.571 23.669 1.00 16.43 ? 514 LEU A CG 1 ATOM 4098 C CD1 . LEU A 1 514 ? -8.406 -11.747 24.929 1.00 15.60 ? 514 LEU A CD1 1 ATOM 4099 C CD2 . LEU A 1 514 ? -8.915 -14.025 24.019 1.00 19.93 ? 514 LEU A CD2 1 ATOM 4100 N N . LEU A 1 515 ? -10.427 -10.857 19.949 1.00 17.54 ? 515 LEU A N 1 ATOM 4101 C CA . LEU A 1 515 ? -11.286 -10.174 19.030 1.00 17.94 ? 515 LEU A CA 1 ATOM 4102 C C . LEU A 1 515 ? -11.606 -10.987 17.779 1.00 18.71 ? 515 LEU A C 1 ATOM 4103 O O . LEU A 1 515 ? -12.745 -11.176 17.480 1.00 18.34 ? 515 LEU A O 1 ATOM 4104 C CB . LEU A 1 515 ? -10.763 -8.792 18.677 1.00 17.53 ? 515 LEU A CB 1 ATOM 4105 C CG . LEU A 1 515 ? -10.666 -7.811 19.850 1.00 17.55 ? 515 LEU A CG 1 ATOM 4106 C CD1 . LEU A 1 515 ? -9.733 -6.718 19.496 1.00 17.39 ? 515 LEU A CD1 1 ATOM 4107 C CD2 . LEU A 1 515 ? -11.991 -7.239 20.347 1.00 18.55 ? 515 LEU A CD2 1 ATOM 4108 N N . GLY A 1 516 ? -10.570 -11.458 17.101 1.00 18.62 ? 516 GLY A N 1 ATOM 4109 C CA . GLY A 1 516 ? -10.712 -12.257 15.886 1.00 22.69 ? 516 GLY A CA 1 ATOM 4110 C C . GLY A 1 516 ? -11.581 -13.475 16.012 1.00 20.08 ? 516 GLY A C 1 ATOM 4111 O O . GLY A 1 516 ? -12.479 -13.716 15.200 1.00 23.43 ? 516 GLY A O 1 ATOM 4112 N N . ARG A 1 517 ? -11.375 -14.202 17.083 1.00 21.50 ? 517 ARG A N 1 ATOM 4113 C CA . ARG A 1 517 ? -12.150 -15.374 17.299 1.00 23.09 ? 517 ARG A CA 1 ATOM 4114 C C . ARG A 1 517 ? -13.633 -14.992 17.537 1.00 21.41 ? 517 ARG A C 1 ATOM 4115 O O . ARG A 1 517 ? -14.553 -15.619 16.983 1.00 18.93 ? 517 ARG A O 1 ATOM 4116 C CB . ARG A 1 517 ? -11.670 -16.139 18.473 1.00 26.43 ? 517 ARG A CB 1 ATOM 4117 C CG . ARG A 1 517 ? -10.315 -16.738 18.348 1.00 37.73 ? 517 ARG A CG 1 ATOM 4118 C CD . ARG A 1 517 ? -10.013 -17.465 19.659 1.00 43.45 ? 517 ARG A CD 1 ATOM 4119 N NE . ARG A 1 517 ? -10.974 -18.555 19.743 1.00 45.26 ? 517 ARG A NE 1 ATOM 4120 C CZ . ARG A 1 517 ? -10.691 -19.853 19.716 1.00 48.31 ? 517 ARG A CZ 1 ATOM 4121 N NH1 . ARG A 1 517 ? -11.708 -20.716 19.728 1.00 48.42 ? 517 ARG A NH1 1 ATOM 4122 N NH2 . ARG A 1 517 ? -9.429 -20.293 19.738 1.00 44.06 ? 517 ARG A NH2 1 ATOM 4123 N N . GLN A 1 518 ? -13.859 -13.916 18.253 1.00 18.13 ? 518 GLN A N 1 ATOM 4124 C CA . GLN A 1 518 ? -15.270 -13.533 18.509 1.00 18.22 ? 518 GLN A CA 1 ATOM 4125 C C . GLN A 1 518 ? -15.990 -13.100 17.237 1.00 18.77 ? 518 GLN A C 1 ATOM 4126 O O . GLN A 1 518 ? -17.137 -13.514 16.951 1.00 20.58 ? 518 GLN A O 1 ATOM 4127 C CB . GLN A 1 518 ? -15.381 -12.426 19.524 1.00 17.46 ? 518 GLN A CB 1 ATOM 4128 C CG . GLN A 1 518 ? -16.863 -12.168 19.914 1.00 19.28 ? 518 GLN A CG 1 ATOM 4129 C CD . GLN A 1 518 ? -17.428 -13.233 20.771 1.00 18.73 ? 518 GLN A CD 1 ATOM 4130 O OE1 . GLN A 1 518 ? -17.055 -13.366 21.941 1.00 22.35 ? 518 GLN A OE1 1 ATOM 4131 N NE2 . GLN A 1 518 ? -18.341 -13.998 20.226 1.00 21.51 ? 518 GLN A NE2 1 ATOM 4132 N N . PHE A 1 519 ? -15.322 -12.244 16.477 1.00 21.56 ? 519 PHE A N 1 ATOM 4133 C CA . PHE A 1 519 ? -15.856 -11.778 15.231 1.00 18.85 ? 519 PHE A CA 1 ATOM 4134 C C . PHE A 1 519 ? -16.079 -12.905 14.221 1.00 21.97 ? 519 PHE A C 1 ATOM 4135 O O . PHE A 1 519 ? -17.149 -12.951 13.584 1.00 23.17 ? 519 PHE A O 1 ATOM 4136 C CB . PHE A 1 519 ? -15.085 -10.633 14.678 1.00 19.77 ? 519 PHE A CB 1 ATOM 4137 C CG . PHE A 1 519 ? -15.448 -9.304 15.317 1.00 21.13 ? 519 PHE A CG 1 ATOM 4138 C CD1 . PHE A 1 519 ? -16.636 -8.675 14.985 1.00 22.23 ? 519 PHE A CD1 1 ATOM 4139 C CD2 . PHE A 1 519 ? -14.624 -8.724 16.247 1.00 20.01 ? 519 PHE A CD2 1 ATOM 4140 C CE1 . PHE A 1 519 ? -16.999 -7.502 15.580 1.00 22.61 ? 519 PHE A CE1 1 ATOM 4141 C CE2 . PHE A 1 519 ? -14.959 -7.526 16.828 1.00 21.15 ? 519 PHE A CE2 1 ATOM 4142 C CZ . PHE A 1 519 ? -16.130 -6.907 16.494 1.00 20.44 ? 519 PHE A CZ 1 ATOM 4143 N N . GLN A 1 520 ? -15.134 -13.806 14.079 1.00 23.46 ? 520 GLN A N 1 ATOM 4144 C CA . GLN A 1 520 ? -15.376 -15.026 13.285 1.00 24.58 ? 520 GLN A CA 1 ATOM 4145 C C . GLN A 1 520 ? -16.711 -15.748 13.663 1.00 26.85 ? 520 GLN A C 1 ATOM 4146 O O . GLN A 1 520 ? -17.538 -16.122 12.787 1.00 26.46 ? 520 GLN A O 1 ATOM 4147 C CB . GLN A 1 520 ? -14.161 -15.937 13.391 1.00 26.94 ? 520 GLN A CB 1 ATOM 4148 C CG . GLN A 1 520 ? -14.283 -17.350 12.760 1.00 28.33 ? 520 GLN A CG 1 ATOM 4149 C CD . GLN A 1 520 ? -14.577 -18.430 13.798 1.00 30.22 ? 520 GLN A CD 1 ATOM 4150 O OE1 . GLN A 1 520 ? -15.645 -19.078 13.794 1.00 39.39 ? 520 GLN A OE1 1 ATOM 4151 N NE2 . GLN A 1 520 ? -13.657 -18.596 14.724 1.00 31.79 ? 520 GLN A NE2 1 ATOM 4152 N N . GLN A 1 521 ? -16.927 -15.935 14.952 1.00 22.84 ? 521 GLN A N 1 ATOM 4153 C CA . GLN A 1 521 ? -18.090 -16.654 15.423 1.00 23.71 ? 521 GLN A CA 1 ATOM 4154 C C . GLN A 1 521 ? -19.348 -15.874 15.211 1.00 23.23 ? 521 GLN A C 1 ATOM 4155 O O . GLN A 1 521 ? -20.369 -16.442 14.833 1.00 25.68 ? 521 GLN A O 1 ATOM 4156 C CB . GLN A 1 521 ? -17.949 -16.939 16.891 1.00 22.97 ? 521 GLN A CB 1 ATOM 4157 C CG . GLN A 1 521 ? -16.914 -17.967 17.216 1.00 24.46 ? 521 GLN A CG 1 ATOM 4158 C CD . GLN A 1 521 ? -16.810 -18.253 18.698 1.00 27.26 ? 521 GLN A CD 1 ATOM 4159 O OE1 . GLN A 1 521 ? -17.759 -18.075 19.500 1.00 28.21 ? 521 GLN A OE1 1 ATOM 4160 N NE2 . GLN A 1 521 ? -15.641 -18.656 19.082 1.00 23.65 ? 521 GLN A NE2 1 ATOM 4161 N N . ILE A 1 522 ? -19.324 -14.558 15.448 1.00 24.56 ? 522 ILE A N 1 ATOM 4162 C CA . ILE A 1 522 ? -20.553 -13.797 15.226 1.00 29.05 ? 522 ILE A CA 1 ATOM 4163 C C . ILE A 1 522 ? -20.928 -13.772 13.726 1.00 29.31 ? 522 ILE A C 1 ATOM 4164 O O . ILE A 1 522 ? -22.097 -13.704 13.446 1.00 28.04 ? 522 ILE A O 1 ATOM 4165 C CB . ILE A 1 522 ? -20.679 -12.436 15.940 1.00 32.15 ? 522 ILE A CB 1 ATOM 4166 C CG1 . ILE A 1 522 ? -19.933 -11.365 15.248 1.00 31.49 ? 522 ILE A CG1 1 ATOM 4167 C CG2 . ILE A 1 522 ? -20.340 -12.554 17.459 1.00 35.64 ? 522 ILE A CG2 1 ATOM 4168 C CD1 . ILE A 1 522 ? -19.598 -10.180 16.198 1.00 39.33 ? 522 ILE A CD1 1 ATOM 4169 N N . ARG A 1 523 ? -19.951 -13.871 12.811 1.00 26.99 ? 523 ARG A N 1 ATOM 4170 C CA . ARG A 1 523 ? -20.263 -13.967 11.390 1.00 29.45 ? 523 ARG A CA 1 ATOM 4171 C C . ARG A 1 523 ? -20.722 -15.418 11.058 1.00 31.13 ? 523 ARG A C 1 ATOM 4172 O O . ARG A 1 523 ? -21.808 -15.605 10.510 1.00 29.98 ? 523 ARG A O 1 ATOM 4173 C CB . ARG A 1 523 ? -19.081 -13.600 10.500 1.00 28.72 ? 523 ARG A CB 1 ATOM 4174 C CG . ARG A 1 523 ? -19.276 -13.945 8.998 1.00 30.67 ? 523 ARG A CG 1 ATOM 4175 C CD . ARG A 1 523 ? -18.020 -13.717 8.150 1.00 28.34 ? 523 ARG A CD 1 ATOM 4176 N NE . ARG A 1 523 ? -17.068 -14.762 8.399 1.00 29.66 ? 523 ARG A NE 1 ATOM 4177 C CZ . ARG A 1 523 ? -15.873 -14.882 7.868 1.00 29.24 ? 523 ARG A CZ 1 ATOM 4178 N NH1 . ARG A 1 523 ? -15.392 -13.985 7.000 1.00 38.85 ? 523 ARG A NH1 1 ATOM 4179 N NH2 . ARG A 1 523 ? -15.145 -15.929 8.190 1.00 29.48 ? 523 ARG A NH2 1 ATOM 4180 N N . ASP A 1 524 ? -19.899 -16.408 11.414 1.00 28.48 ? 524 ASP A N 1 ATOM 4181 C CA . ASP A 1 524 ? -20.151 -17.786 10.989 1.00 28.12 ? 524 ASP A CA 1 ATOM 4182 C C . ASP A 1 524 ? -21.367 -18.433 11.642 1.00 28.94 ? 524 ASP A C 1 ATOM 4183 O O . ASP A 1 524 ? -21.952 -19.339 11.070 1.00 31.00 ? 524 ASP A O 1 ATOM 4184 C CB . ASP A 1 524 ? -18.920 -18.657 11.204 1.00 27.01 ? 524 ASP A CB 1 ATOM 4185 C CG . ASP A 1 524 ? -17.719 -18.220 10.401 1.00 27.35 ? 524 ASP A CG 1 ATOM 4186 O OD1 . ASP A 1 524 ? -17.786 -17.392 9.503 1.00 31.43 ? 524 ASP A OD1 1 ATOM 4187 O OD2 . ASP A 1 524 ? -16.652 -18.729 10.678 1.00 28.68 ? 524 ASP A OD2 1 ATOM 4188 N N . GLY A 1 525 ? -21.751 -17.970 12.838 1.00 27.36 ? 525 GLY A N 1 ATOM 4189 C CA . GLY A 1 525 ? -22.806 -18.577 13.598 1.00 26.32 ? 525 GLY A CA 1 ATOM 4190 C C . GLY A 1 525 ? -24.098 -17.839 13.463 1.00 25.86 ? 525 GLY A C 1 ATOM 4191 O O . GLY A 1 525 ? -24.972 -18.043 14.284 1.00 26.75 ? 525 GLY A O 1 ATOM 4192 N N . ASP A 1 526 ? -24.188 -16.963 12.446 1.00 28.14 ? 526 ASP A N 1 ATOM 4193 C CA . ASP A 1 526 ? -25.335 -16.118 12.212 1.00 30.12 ? 526 ASP A CA 1 ATOM 4194 C C . ASP A 1 526 ? -26.054 -16.590 10.925 1.00 32.55 ? 526 ASP A C 1 ATOM 4195 O O . ASP A 1 526 ? -25.482 -16.464 9.802 1.00 32.86 ? 526 ASP A O 1 ATOM 4196 C CB . ASP A 1 526 ? -24.898 -14.653 11.995 1.00 27.34 ? 526 ASP A CB 1 ATOM 4197 C CG . ASP A 1 526 ? -26.056 -13.694 11.921 1.00 28.61 ? 526 ASP A CG 1 ATOM 4198 O OD1 . ASP A 1 526 ? -27.212 -14.058 12.169 1.00 30.17 ? 526 ASP A OD1 1 ATOM 4199 O OD2 . ASP A 1 526 ? -25.813 -12.501 11.718 1.00 30.05 ? 526 ASP A OD2 1 ATOM 4200 N N . ARG A 1 527 ? -27.284 -17.083 11.147 1.00 32.81 ? 527 ARG A N 1 ATOM 4201 C CA . ARG A 1 527 ? -28.190 -17.621 10.115 1.00 34.11 ? 527 ARG A CA 1 ATOM 4202 C C . ARG A 1 527 ? -28.656 -16.498 9.198 1.00 35.61 ? 527 ARG A C 1 ATOM 4203 O O . ARG A 1 527 ? -29.057 -16.758 8.084 1.00 35.24 ? 527 ARG A O 1 ATOM 4204 C CB . ARG A 1 527 ? -29.431 -18.265 10.742 1.00 31.29 ? 527 ARG A CB 1 ATOM 4205 C CG . ARG A 1 527 ? -30.343 -18.932 9.664 1.00 32.23 ? 527 ARG A CG 1 ATOM 4206 C CD . ARG A 1 527 ? -31.163 -20.056 10.198 1.00 30.79 ? 527 ARG A CD 1 ATOM 4207 N NE . ARG A 1 527 ? -32.195 -19.613 11.097 1.00 28.44 ? 527 ARG A NE 1 ATOM 4208 C CZ . ARG A 1 527 ? -33.316 -19.026 10.737 1.00 34.35 ? 527 ARG A CZ 1 ATOM 4209 N NH1 . ARG A 1 527 ? -33.583 -18.829 9.433 1.00 38.01 ? 527 ARG A NH1 1 ATOM 4210 N NH2 . ARG A 1 527 ? -34.219 -18.705 11.665 1.00 33.58 ? 527 ARG A NH2 1 ATOM 4211 N N . PHE A 1 528 ? -28.583 -15.253 9.688 1.00 34.76 ? 528 PHE A N 1 ATOM 4212 C CA . PHE A 1 528 ? -28.979 -14.077 8.921 1.00 38.34 ? 528 PHE A CA 1 ATOM 4213 C C . PHE A 1 528 ? -27.843 -13.192 8.485 1.00 37.17 ? 528 PHE A C 1 ATOM 4214 O O . PHE A 1 528 ? -28.054 -12.071 8.059 1.00 40.68 ? 528 PHE A O 1 ATOM 4215 C CB . PHE A 1 528 ? -29.997 -13.326 9.751 1.00 38.82 ? 528 PHE A CB 1 ATOM 4216 C CG . PHE A 1 528 ? -31.274 -14.060 9.924 1.00 40.64 ? 528 PHE A CG 1 ATOM 4217 C CD1 . PHE A 1 528 ? -32.173 -14.158 8.859 1.00 42.95 ? 528 PHE A CD1 1 ATOM 4218 C CD2 . PHE A 1 528 ? -31.607 -14.652 11.132 1.00 41.10 ? 528 PHE A CD2 1 ATOM 4219 C CE1 . PHE A 1 528 ? -33.373 -14.820 9.010 1.00 38.56 ? 528 PHE A CE1 1 ATOM 4220 C CE2 . PHE A 1 528 ? -32.820 -15.318 11.290 1.00 46.02 ? 528 PHE A CE2 1 ATOM 4221 C CZ . PHE A 1 528 ? -33.702 -15.402 10.214 1.00 44.29 ? 528 PHE A CZ 1 ATOM 4222 N N . TRP A 1 529 ? -26.619 -13.691 8.550 1.00 34.00 ? 529 TRP A N 1 ATOM 4223 C CA . TRP A 1 529 ? -25.494 -13.006 7.963 1.00 33.63 ? 529 TRP A CA 1 ATOM 4224 C C . TRP A 1 529 ? -25.727 -12.608 6.460 1.00 41.71 ? 529 TRP A C 1 ATOM 4225 O O . TRP A 1 529 ? -26.071 -13.458 5.610 1.00 37.63 ? 529 TRP A O 1 ATOM 4226 C CB . TRP A 1 529 ? -24.247 -13.874 8.069 1.00 31.68 ? 529 TRP A CB 1 ATOM 4227 C CG . TRP A 1 529 ? -23.078 -13.167 7.574 1.00 35.05 ? 529 TRP A CG 1 ATOM 4228 C CD1 . TRP A 1 529 ? -22.443 -13.326 6.381 1.00 33.56 ? 529 TRP A CD1 1 ATOM 4229 C CD2 . TRP A 1 529 ? -22.398 -12.146 8.275 1.00 32.65 ? 529 TRP A CD2 1 ATOM 4230 N NE1 . TRP A 1 529 ? -21.384 -12.452 6.293 1.00 37.68 ? 529 TRP A NE1 1 ATOM 4231 C CE2 . TRP A 1 529 ? -21.358 -11.692 7.438 1.00 36.54 ? 529 TRP A CE2 1 ATOM 4232 C CE3 . TRP A 1 529 ? -22.565 -11.574 9.543 1.00 35.89 ? 529 TRP A CE3 1 ATOM 4233 C CZ2 . TRP A 1 529 ? -20.483 -10.675 7.817 1.00 34.76 ? 529 TRP A CZ2 1 ATOM 4234 C CZ3 . TRP A 1 529 ? -21.688 -10.554 9.930 1.00 35.43 ? 529 TRP A CZ3 1 ATOM 4235 C CH2 . TRP A 1 529 ? -20.665 -10.118 9.062 1.00 31.33 ? 529 TRP A CH2 1 ATOM 4236 N N . TRP A 1 530 ? -25.467 -11.338 6.134 1.00 41.05 ? 530 TRP A N 1 ATOM 4237 C CA . TRP A 1 530 ? -25.924 -10.731 4.848 1.00 41.41 ? 530 TRP A CA 1 ATOM 4238 C C . TRP A 1 530 ? -25.531 -11.594 3.626 1.00 44.69 ? 530 TRP A C 1 ATOM 4239 O O . TRP A 1 530 ? -26.319 -11.758 2.698 1.00 49.89 ? 530 TRP A O 1 ATOM 4240 C CB . TRP A 1 530 ? -25.431 -9.258 4.725 1.00 36.21 ? 530 TRP A CB 1 ATOM 4241 C CG . TRP A 1 530 ? -24.035 -9.179 4.364 1.00 34.42 ? 530 TRP A CG 1 ATOM 4242 C CD1 . TRP A 1 530 ? -22.980 -9.301 5.187 1.00 37.03 ? 530 TRP A CD1 1 ATOM 4243 C CD2 . TRP A 1 530 ? -23.511 -9.037 3.070 1.00 39.96 ? 530 TRP A CD2 1 ATOM 4244 N NE1 . TRP A 1 530 ? -21.831 -9.237 4.506 1.00 34.78 ? 530 TRP A NE1 1 ATOM 4245 C CE2 . TRP A 1 530 ? -22.118 -9.074 3.187 1.00 37.88 ? 530 TRP A CE2 1 ATOM 4246 C CE3 . TRP A 1 530 ? -24.087 -8.874 1.803 1.00 42.18 ? 530 TRP A CE3 1 ATOM 4247 C CZ2 . TRP A 1 530 ? -21.278 -8.962 2.094 1.00 40.63 ? 530 TRP A CZ2 1 ATOM 4248 C CZ3 . TRP A 1 530 ? -23.267 -8.759 0.737 1.00 38.55 ? 530 TRP A CZ3 1 ATOM 4249 C CH2 . TRP A 1 530 ? -21.873 -8.802 0.871 1.00 42.20 ? 530 TRP A CH2 1 ATOM 4250 N N . GLU A 1 531 ? -24.324 -12.150 3.666 1.00 40.90 ? 531 GLU A N 1 ATOM 4251 C CA . GLU A 1 531 ? -23.723 -12.936 2.578 1.00 45.29 ? 531 GLU A CA 1 ATOM 4252 C C . GLU A 1 531 ? -24.161 -14.433 2.567 1.00 45.77 ? 531 GLU A C 1 ATOM 4253 O O . GLU A 1 531 ? -23.709 -15.186 1.707 1.00 48.13 ? 531 GLU A O 1 ATOM 4254 C CB . GLU A 1 531 ? -22.198 -12.860 2.737 1.00 45.08 ? 531 GLU A CB 1 ATOM 4255 C CG . GLU A 1 531 ? -21.304 -12.769 1.495 1.00 41.70 ? 531 GLU A CG 1 ATOM 4256 C CD . GLU A 1 531 ? -19.869 -12.508 1.877 1.00 48.39 ? 531 GLU A CD 1 ATOM 4257 O OE1 . GLU A 1 531 ? -19.585 -12.251 3.084 1.00 57.53 ? 531 GLU A OE1 1 ATOM 4258 O OE2 . GLU A 1 531 ? -18.999 -12.589 0.993 1.00 52.69 ? 531 GLU A OE2 1 ATOM 4259 N N . ASN A 1 532 ? -25.003 -14.857 3.520 1.00 41.69 ? 532 ASN A N 1 ATOM 4260 C CA . ASN A 1 532 ? -25.327 -16.262 3.685 1.00 41.97 ? 532 ASN A CA 1 ATOM 4261 C C . ASN A 1 532 ? -26.337 -16.578 2.615 1.00 42.68 ? 532 ASN A C 1 ATOM 4262 O O . ASN A 1 532 ? -27.434 -15.991 2.643 1.00 42.17 ? 532 ASN A O 1 ATOM 4263 C CB . ASN A 1 532 ? -25.971 -16.589 5.034 1.00 38.04 ? 532 ASN A CB 1 ATOM 4264 C CG . ASN A 1 532 ? -26.300 -18.070 5.162 1.00 34.77 ? 532 ASN A CG 1 ATOM 4265 O OD1 . ASN A 1 532 ? -25.627 -18.899 4.576 1.00 33.26 ? 532 ASN A OD1 1 ATOM 4266 N ND2 . ASN A 1 532 ? -27.299 -18.401 5.951 1.00 38.41 ? 532 ASN A ND2 1 ATOM 4267 N N . PRO A 1 533 ? -25.992 -17.503 1.688 1.00 44.76 ? 533 PRO A N 1 ATOM 4268 C CA . PRO A 1 533 ? -26.911 -17.760 0.568 1.00 46.56 ? 533 PRO A CA 1 ATOM 4269 C C . PRO A 1 533 ? -28.348 -17.901 1.053 1.00 42.73 ? 533 PRO A C 1 ATOM 4270 O O . PRO A 1 533 ? -28.584 -18.592 2.060 1.00 48.75 ? 533 PRO A O 1 ATOM 4271 C CB . PRO A 1 533 ? -26.379 -19.065 -0.010 1.00 44.98 ? 533 PRO A CB 1 ATOM 4272 C CG . PRO A 1 533 ? -24.907 -18.966 0.209 1.00 45.36 ? 533 PRO A CG 1 ATOM 4273 C CD . PRO A 1 533 ? -24.759 -18.288 1.552 1.00 42.43 ? 533 PRO A CD 1 ATOM 4274 N N . GLY A 1 534 ? -29.275 -17.192 0.414 1.00 39.42 ? 534 GLY A N 1 ATOM 4275 C CA . GLY A 1 534 ? -30.691 -17.153 0.859 1.00 37.87 ? 534 GLY A CA 1 ATOM 4276 C C . GLY A 1 534 ? -31.161 -15.908 1.618 1.00 40.49 ? 534 GLY A C 1 ATOM 4277 O O . GLY A 1 534 ? -32.349 -15.564 1.600 1.00 45.22 ? 534 GLY A O 1 ATOM 4278 N N . VAL A 1 535 ? -30.254 -15.223 2.314 1.00 41.26 ? 535 VAL A N 1 ATOM 4279 C CA . VAL A 1 535 ? -30.636 -14.029 3.068 1.00 42.94 ? 535 VAL A CA 1 ATOM 4280 C C . VAL A 1 535 ? -30.921 -12.906 2.077 1.00 38.16 ? 535 VAL A C 1 ATOM 4281 O O . VAL A 1 535 ? -31.929 -12.297 2.169 1.00 33.92 ? 535 VAL A O 1 ATOM 4282 C CB . VAL A 1 535 ? -29.552 -13.611 4.099 1.00 49.90 ? 535 VAL A CB 1 ATOM 4283 C CG1 . VAL A 1 535 ? -29.962 -12.355 4.857 1.00 43.94 ? 535 VAL A CG1 1 ATOM 4284 C CG2 . VAL A 1 535 ? -29.303 -14.748 5.104 1.00 50.68 ? 535 VAL A CG2 1 ATOM 4285 N N . PHE A 1 536 ? -30.043 -12.649 1.134 1.00 47.70 ? 536 PHE A N 1 ATOM 4286 C CA . PHE A 1 536 ? -30.294 -11.630 0.096 1.00 50.04 ? 536 PHE A CA 1 ATOM 4287 C C . PHE A 1 536 ? -30.057 -12.272 -1.252 1.00 51.47 ? 536 PHE A C 1 ATOM 4288 O O . PHE A 1 536 ? -29.341 -13.266 -1.309 1.00 42.05 ? 536 PHE A O 1 ATOM 4289 C CB . PHE A 1 536 ? -29.335 -10.433 0.246 1.00 52.98 ? 536 PHE A CB 1 ATOM 4290 C CG . PHE A 1 536 ? -29.631 -9.541 1.443 1.00 55.07 ? 536 PHE A CG 1 ATOM 4291 C CD1 . PHE A 1 536 ? -30.651 -8.610 1.404 1.00 53.60 ? 536 PHE A CD1 1 ATOM 4292 C CD2 . PHE A 1 536 ? -28.859 -9.615 2.602 1.00 55.92 ? 536 PHE A CD2 1 ATOM 4293 C CE1 . PHE A 1 536 ? -30.905 -7.783 2.483 1.00 54.33 ? 536 PHE A CE1 1 ATOM 4294 C CE2 . PHE A 1 536 ? -29.117 -8.792 3.692 1.00 49.04 ? 536 PHE A CE2 1 ATOM 4295 C CZ . PHE A 1 536 ? -30.141 -7.876 3.631 1.00 53.18 ? 536 PHE A CZ 1 ATOM 4296 N N . THR A 1 537 ? -30.565 -11.656 -2.328 1.00 47.34 ? 537 THR A N 1 ATOM 4297 C CA . THR A 1 537 ? -30.335 -12.162 -3.679 1.00 48.02 ? 537 THR A CA 1 ATOM 4298 C C . THR A 1 537 ? -28.953 -11.794 -4.141 1.00 53.32 ? 537 THR A C 1 ATOM 4299 O O . THR A 1 537 ? -28.346 -10.882 -3.594 1.00 57.77 ? 537 THR A O 1 ATOM 4300 C CB . THR A 1 537 ? -31.320 -11.588 -4.725 1.00 45.76 ? 537 THR A CB 1 ATOM 4301 O OG1 . THR A 1 537 ? -30.798 -10.355 -5.297 1.00 45.57 ? 537 THR A OG1 1 ATOM 4302 C CG2 . THR A 1 537 ? -32.735 -11.412 -4.121 1.00 40.37 ? 537 THR A CG2 1 ATOM 4303 N N . GLU A 1 538 ? -28.480 -12.454 -5.194 1.00 55.96 ? 538 GLU A N 1 ATOM 4304 C CA . GLU A 1 538 ? -27.152 -12.149 -5.752 1.00 62.99 ? 538 GLU A CA 1 ATOM 4305 C C . GLU A 1 538 ? -27.044 -10.659 -6.106 1.00 67.77 ? 538 GLU A C 1 ATOM 4306 O O . GLU A 1 538 ? -26.051 -10.004 -5.755 1.00 57.35 ? 538 GLU A O 1 ATOM 4307 C CB . GLU A 1 538 ? -26.829 -13.027 -6.977 1.00 65.91 ? 538 GLU A CB 1 ATOM 4308 C CG . GLU A 1 538 ? -25.333 -13.200 -7.253 1.00 71.59 ? 538 GLU A CG 1 ATOM 4309 C CD . GLU A 1 538 ? -24.799 -12.500 -8.508 1.00 77.12 ? 538 GLU A CD 1 ATOM 4310 O OE1 . GLU A 1 538 ? -25.524 -11.719 -9.166 1.00 76.28 ? 538 GLU A OE1 1 ATOM 4311 O OE2 . GLU A 1 538 ? -23.616 -12.748 -8.845 1.00 77.81 ? 538 GLU A OE2 1 ATOM 4312 N N . LYS A 1 539 ? -28.099 -10.133 -6.731 1.00 68.52 ? 539 LYS A N 1 ATOM 4313 C CA . LYS A 1 539 ? -28.140 -8.748 -7.203 1.00 71.27 ? 539 LYS A CA 1 ATOM 4314 C C . LYS A 1 539 ? -28.227 -7.745 -6.074 1.00 65.12 ? 539 LYS A C 1 ATOM 4315 O O . LYS A 1 539 ? -27.603 -6.696 -6.141 1.00 57.79 ? 539 LYS A O 1 ATOM 4316 C CB . LYS A 1 539 ? -29.304 -8.536 -8.168 1.00 76.56 ? 539 LYS A CB 1 ATOM 4317 C CG . LYS A 1 539 ? -29.146 -9.339 -9.450 1.00 78.61 ? 539 LYS A CG 1 ATOM 4318 C CD . LYS A 1 539 ? -30.368 -9.235 -10.337 1.00 79.39 ? 539 LYS A CD 1 ATOM 4319 C CE . LYS A 1 539 ? -30.521 -7.839 -10.924 1.00 78.35 ? 539 LYS A CE 1 ATOM 4320 N NZ . LYS A 1 539 ? -31.313 -7.895 -12.184 1.00 76.79 ? 539 LYS A NZ 1 ATOM 4321 N N . GLN A 1 540 ? -28.996 -8.063 -5.045 1.00 61.13 ? 540 GLN A N 1 ATOM 4322 C CA . GLN A 1 540 ? -28.993 -7.243 -3.836 1.00 60.90 ? 540 GLN A CA 1 ATOM 4323 C C . GLN A 1 540 ? -27.613 -7.135 -3.246 1.00 59.93 ? 540 GLN A C 1 ATOM 4324 O O . GLN A 1 540 ? -27.227 -6.075 -2.778 1.00 68.30 ? 540 GLN A O 1 ATOM 4325 C CB . GLN A 1 540 ? -29.891 -7.835 -2.794 1.00 59.57 ? 540 GLN A CB 1 ATOM 4326 C CG . GLN A 1 540 ? -31.343 -7.694 -3.168 1.00 56.98 ? 540 GLN A CG 1 ATOM 4327 C CD . GLN A 1 540 ? -32.248 -8.485 -2.259 1.00 57.66 ? 540 GLN A CD 1 ATOM 4328 O OE1 . GLN A 1 540 ? -31.812 -9.446 -1.639 1.00 57.40 ? 540 GLN A OE1 1 ATOM 4329 N NE2 . GLN A 1 540 ? -33.534 -8.126 -2.216 1.00 56.66 ? 540 GLN A NE2 1 ATOM 4330 N N . ARG A 1 541 ? -26.874 -8.230 -3.278 1.00 53.68 ? 541 ARG A N 1 ATOM 4331 C CA . ARG A 1 541 ? -25.550 -8.278 -2.705 1.00 55.49 ? 541 ARG A CA 1 ATOM 4332 C C . ARG A 1 541 ? -24.458 -7.542 -3.521 1.00 56.98 ? 541 ARG A C 1 ATOM 4333 O O . ARG A 1 541 ? -23.544 -6.933 -2.912 1.00 58.12 ? 541 ARG A O 1 ATOM 4334 C CB . ARG A 1 541 ? -25.157 -9.733 -2.441 1.00 56.19 ? 541 ARG A CB 1 ATOM 4335 C CG . ARG A 1 541 ? -26.050 -10.467 -1.435 1.00 57.37 ? 541 ARG A CG 1 ATOM 4336 C CD . ARG A 1 541 ? -25.366 -11.735 -0.931 1.00 59.89 ? 541 ARG A CD 1 ATOM 4337 N NE . ARG A 1 541 ? -25.006 -12.664 -2.009 1.00 62.49 ? 541 ARG A NE 1 ATOM 4338 C CZ . ARG A 1 541 ? -25.804 -13.596 -2.539 1.00 59.19 ? 541 ARG A CZ 1 ATOM 4339 N NH1 . ARG A 1 541 ? -27.050 -13.776 -2.119 1.00 53.84 ? 541 ARG A NH1 1 ATOM 4340 N NH2 . ARG A 1 541 ? -25.339 -14.347 -3.529 1.00 67.61 ? 541 ARG A NH2 1 ATOM 4341 N N . ASP A 1 542 ? -24.525 -7.565 -4.864 1.00 56.79 ? 542 ASP A N 1 ATOM 4342 C CA . ASP A 1 542 ? -23.611 -6.709 -5.681 1.00 55.89 ? 542 ASP A CA 1 ATOM 4343 C C . ASP A 1 542 ? -23.893 -5.231 -5.338 1.00 53.74 ? 542 ASP A C 1 ATOM 4344 O O . ASP A 1 542 ? -22.970 -4.417 -5.332 1.00 44.19 ? 542 ASP A O 1 ATOM 4345 C CB . ASP A 1 542 ? -23.748 -6.856 -7.213 1.00 60.68 ? 542 ASP A CB 1 ATOM 4346 C CG . ASP A 1 542 ? -23.745 -8.276 -7.690 1.00 63.06 ? 542 ASP A CG 1 ATOM 4347 O OD1 . ASP A 1 542 ? -22.703 -8.753 -8.184 1.00 65.31 ? 542 ASP A OD1 1 ATOM 4348 O OD2 . ASP A 1 542 ? -24.822 -8.888 -7.610 1.00 68.96 ? 542 ASP A OD2 1 ATOM 4349 N N . SER A 1 543 ? -25.179 -4.928 -5.073 1.00 46.95 ? 543 SER A N 1 ATOM 4350 C CA . SER A 1 543 ? -25.620 -3.648 -4.589 1.00 50.12 ? 543 SER A CA 1 ATOM 4351 C C . SER A 1 543 ? -25.270 -3.347 -3.112 1.00 53.62 ? 543 SER A C 1 ATOM 4352 O O . SER A 1 543 ? -24.904 -2.219 -2.788 1.00 51.24 ? 543 SER A O 1 ATOM 4353 C CB . SER A 1 543 ? -27.129 -3.506 -4.790 1.00 53.36 ? 543 SER A CB 1 ATOM 4354 O OG . SER A 1 543 ? -27.690 -2.670 -3.799 1.00 55.52 ? 543 SER A OG 1 ATOM 4355 N N . LEU A 1 544 ? -25.433 -4.314 -2.210 1.00 51.80 ? 544 LEU A N 1 ATOM 4356 C CA . LEU A 1 544 ? -25.102 -4.084 -0.786 1.00 45.37 ? 544 LEU A CA 1 ATOM 4357 C C . LEU A 1 544 ? -23.636 -3.776 -0.690 1.00 48.95 ? 544 LEU A C 1 ATOM 4358 O O . LEU A 1 544 ? -23.283 -2.849 0.053 1.00 57.61 ? 544 LEU A O 1 ATOM 4359 C CB . LEU A 1 544 ? -25.522 -5.251 0.119 1.00 44.06 ? 544 LEU A CB 1 ATOM 4360 C CG . LEU A 1 544 ? -27.036 -5.319 0.383 1.00 42.03 ? 544 LEU A CG 1 ATOM 4361 C CD1 . LEU A 1 544 ? -27.487 -6.704 0.878 1.00 41.81 ? 544 LEU A CD1 1 ATOM 4362 C CD2 . LEU A 1 544 ? -27.509 -4.244 1.332 1.00 43.43 ? 544 LEU A CD2 1 ATOM 4363 N N . GLN A 1 545 ? -22.793 -4.443 -1.508 1.00 39.72 ? 545 GLN A N 1 ATOM 4364 C CA . GLN A 1 545 ? -21.352 -4.226 -1.424 1.00 48.86 ? 545 GLN A CA 1 ATOM 4365 C C . GLN A 1 545 ? -20.878 -2.841 -1.919 1.00 50.47 ? 545 GLN A C 1 ATOM 4366 O O . GLN A 1 545 ? -19.696 -2.503 -1.784 1.00 49.83 ? 545 GLN A O 1 ATOM 4367 C CB . GLN A 1 545 ? -20.576 -5.416 -2.001 1.00 52.40 ? 545 GLN A CB 1 ATOM 4368 C CG . GLN A 1 545 ? -20.180 -5.375 -3.458 1.00 63.18 ? 545 GLN A CG 1 ATOM 4369 C CD . GLN A 1 545 ? -19.955 -6.771 -4.046 1.00 76.48 ? 545 GLN A CD 1 ATOM 4370 O OE1 . GLN A 1 545 ? -20.018 -7.783 -3.328 1.00 84.07 ? 545 GLN A OE1 1 ATOM 4371 N NE2 . GLN A 1 545 ? -19.714 -6.837 -5.365 1.00 81.85 ? 545 GLN A NE2 1 ATOM 4372 N N . LYS A 1 546 ? -21.835 -2.038 -2.352 1.00 56.15 ? 546 LYS A N 1 ATOM 4373 C CA . LYS A 1 546 ? -21.602 -0.687 -2.814 1.00 56.34 ? 546 LYS A CA 1 ATOM 4374 C C . LYS A 1 546 ? -21.535 0.277 -1.665 1.00 53.19 ? 546 LYS A C 1 ATOM 4375 O O . LYS A 1 546 ? -20.809 1.237 -1.719 1.00 47.42 ? 546 LYS A O 1 ATOM 4376 C CB . LYS A 1 546 ? -22.791 -0.232 -3.665 1.00 59.95 ? 546 LYS A CB 1 ATOM 4377 C CG . LYS A 1 546 ? -22.738 -0.618 -5.117 1.00 62.34 ? 546 LYS A CG 1 ATOM 4378 C CD . LYS A 1 546 ? -24.085 -0.381 -5.771 1.00 61.43 ? 546 LYS A CD 1 ATOM 4379 C CE . LYS A 1 546 ? -24.112 -1.012 -7.170 1.00 59.70 ? 546 LYS A CE 1 ATOM 4380 N NZ . LYS A 1 546 ? -24.725 -0.137 -8.191 1.00 58.92 ? 546 LYS A NZ 1 ATOM 4381 N N . MET A 1 547 ? -22.348 0.003 -0.652 1.00 53.19 ? 547 MET A N 1 ATOM 4382 C CA . MET A 1 547 ? -22.495 0.820 0.546 1.00 48.87 ? 547 MET A CA 1 ATOM 4383 C C . MET A 1 547 ? -21.229 1.257 1.208 1.00 41.68 ? 547 MET A C 1 ATOM 4384 O O . MET A 1 547 ? -20.259 0.598 1.108 1.00 40.85 ? 547 MET A O 1 ATOM 4385 C CB . MET A 1 547 ? -23.327 0.082 1.552 1.00 30.00 ? 547 MET A CB 1 ATOM 4386 C CG . MET A 1 547 ? -24.784 0.133 1.237 1.00 30.00 ? 547 MET A CG 1 ATOM 4387 S SD . MET A 1 547 ? -25.805 -0.654 2.444 1.00 30.00 ? 547 MET A SD 1 ATOM 4388 C CE . MET A 1 547 ? -24.781 -2.064 2.748 1.00 30.00 ? 547 MET A CE 1 ATOM 4389 N N . SER A 1 548 ? -21.264 2.393 1.881 1.00 42.40 ? 548 SER A N 1 ATOM 4390 C CA . SER A 1 548 ? -20.092 2.892 2.555 1.00 39.71 ? 548 SER A CA 1 ATOM 4391 C C . SER A 1 548 ? -20.444 3.921 3.583 1.00 39.42 ? 548 SER A C 1 ATOM 4392 O O . SER A 1 548 ? -21.504 4.447 3.560 1.00 40.58 ? 548 SER A O 1 ATOM 4393 C CB . SER A 1 548 ? -19.024 3.391 1.574 1.00 45.68 ? 548 SER A CB 1 ATOM 4394 O OG . SER A 1 548 ? -19.351 4.595 0.923 1.00 46.81 ? 548 SER A OG 1 ATOM 4395 N N . PHE A 1 549 ? -19.562 4.186 4.528 1.00 41.49 ? 549 PHE A N 1 ATOM 4396 C CA . PHE A 1 549 ? -19.909 5.210 5.535 1.00 39.41 ? 549 PHE A CA 1 ATOM 4397 C C . PHE A 1 549 ? -19.938 6.579 4.831 1.00 32.34 ? 549 PHE A C 1 ATOM 4398 O O . PHE A 1 549 ? -20.781 7.362 5.137 1.00 35.87 ? 549 PHE A O 1 ATOM 4399 C CB . PHE A 1 549 ? -18.967 5.273 6.798 1.00 37.99 ? 549 PHE A CB 1 ATOM 4400 C CG . PHE A 1 549 ? -19.685 5.780 8.041 1.00 34.55 ? 549 PHE A CG 1 ATOM 4401 C CD1 . PHE A 1 549 ? -19.860 7.133 8.261 1.00 33.13 ? 549 PHE A CD1 1 ATOM 4402 C CD2 . PHE A 1 549 ? -20.223 4.904 8.957 1.00 37.50 ? 549 PHE A CD2 1 ATOM 4403 C CE1 . PHE A 1 549 ? -20.533 7.604 9.391 1.00 32.05 ? 549 PHE A CE1 1 ATOM 4404 C CE2 . PHE A 1 549 ? -20.921 5.366 10.065 1.00 35.76 ? 549 PHE A CE2 1 ATOM 4405 C CZ . PHE A 1 549 ? -21.062 6.720 10.283 1.00 34.72 ? 549 PHE A CZ 1 ATOM 4406 N N . SER A 1 550 ? -19.009 6.830 3.924 1.00 37.77 ? 550 SER A N 1 ATOM 4407 C CA . SER A 1 550 ? -18.959 8.109 3.182 1.00 37.63 ? 550 SER A CA 1 ATOM 4408 C C . SER A 1 550 ? -20.340 8.347 2.610 1.00 37.60 ? 550 SER A C 1 ATOM 4409 O O . SER A 1 550 ? -20.983 9.355 2.886 1.00 42.87 ? 550 SER A O 1 ATOM 4410 C CB . SER A 1 550 ? -17.927 7.993 2.092 1.00 40.64 ? 550 SER A CB 1 ATOM 4411 O OG . SER A 1 550 ? -16.652 7.853 2.687 1.00 45.26 ? 550 SER A OG 1 ATOM 4412 N N . ARG A 1 551 ? -20.840 7.335 1.908 1.00 35.67 ? 551 ARG A N 1 ATOM 4413 C CA . ARG A 1 551 ? -22.194 7.314 1.400 1.00 40.55 ? 551 ARG A CA 1 ATOM 4414 C C . ARG A 1 551 ? -23.267 7.561 2.409 1.00 36.38 ? 551 ARG A C 1 ATOM 4415 O O . ARG A 1 551 ? -24.219 8.272 2.115 1.00 38.29 ? 551 ARG A O 1 ATOM 4416 C CB . ARG A 1 551 ? -22.453 5.970 0.752 1.00 50.02 ? 551 ARG A CB 1 ATOM 4417 C CG . ARG A 1 551 ? -23.764 5.861 0.013 1.00 50.45 ? 551 ARG A CG 1 ATOM 4418 C CD . ARG A 1 551 ? -23.628 6.546 -1.325 1.00 55.77 ? 551 ARG A CD 1 ATOM 4419 N NE . ARG A 1 551 ? -24.453 7.728 -1.461 1.00 52.72 ? 551 ARG A NE 1 ATOM 4420 C CZ . ARG A 1 551 ? -24.206 8.734 -2.313 1.00 55.40 ? 551 ARG A CZ 1 ATOM 4421 N NH1 . ARG A 1 551 ? -23.156 8.728 -3.142 1.00 56.27 ? 551 ARG A NH1 1 ATOM 4422 N NH2 . ARG A 1 551 ? -25.034 9.765 -2.335 1.00 45.92 ? 551 ARG A NH2 1 ATOM 4423 N N . LEU A 1 552 ? -23.202 6.913 3.568 1.00 37.58 ? 552 LEU A N 1 ATOM 4424 C CA . LEU A 1 552 ? -24.271 7.066 4.598 1.00 33.22 ? 552 LEU A CA 1 ATOM 4425 C C . LEU A 1 552 ? -24.300 8.520 5.112 1.00 34.05 ? 552 LEU A C 1 ATOM 4426 O O . LEU A 1 552 ? -25.336 9.061 5.500 1.00 41.30 ? 552 LEU A O 1 ATOM 4427 C CB . LEU A 1 552 ? -23.978 6.154 5.784 1.00 36.98 ? 552 LEU A CB 1 ATOM 4428 C CG . LEU A 1 552 ? -24.823 6.369 7.037 1.00 38.10 ? 552 LEU A CG 1 ATOM 4429 C CD1 . LEU A 1 552 ? -25.981 5.410 7.013 1.00 37.31 ? 552 LEU A CD1 1 ATOM 4430 C CD2 . LEU A 1 552 ? -23.999 6.222 8.322 1.00 43.35 ? 552 LEU A CD2 1 ATOM 4431 N N . ILE A 1 553 ? -23.131 9.144 5.144 1.00 37.82 ? 553 ILE A N 1 ATOM 4432 C CA . ILE A 1 553 ? -23.058 10.566 5.475 1.00 37.35 ? 553 ILE A CA 1 ATOM 4433 C C . ILE A 1 553 ? -23.755 11.299 4.311 1.00 33.69 ? 553 ILE A C 1 ATOM 4434 O O . ILE A 1 553 ? -24.765 11.913 4.517 1.00 32.80 ? 553 ILE A O 1 ATOM 4435 C CB . ILE A 1 553 ? -21.599 11.016 5.719 1.00 35.39 ? 553 ILE A CB 1 ATOM 4436 C CG1 . ILE A 1 553 ? -21.153 10.441 7.063 1.00 36.19 ? 553 ILE A CG1 1 ATOM 4437 C CG2 . ILE A 1 553 ? -21.485 12.542 5.702 1.00 36.59 ? 553 ILE A CG2 1 ATOM 4438 C CD1 . ILE A 1 553 ? -19.672 10.545 7.302 1.00 37.55 ? 553 ILE A CD1 1 ATOM 4439 N N . CYS A 1 554 ? -23.247 11.127 3.097 1.00 36.97 ? 554 CYS A N 1 ATOM 4440 C CA . CYS A 1 554 ? -23.736 11.931 1.930 1.00 37.63 ? 554 CYS A CA 1 ATOM 4441 C C . CYS A 1 554 ? -25.286 11.899 1.885 1.00 32.64 ? 554 CYS A C 1 ATOM 4442 O O . CYS A 1 554 ? -25.922 12.930 1.884 1.00 41.68 ? 554 CYS A O 1 ATOM 4443 C CB . CYS A 1 554 ? -23.153 11.439 0.647 1.00 30.13 ? 554 CYS A CB 1 ATOM 4444 S SG . CYS A 1 554 ? -21.443 11.833 0.259 1.00 42.83 ? 554 CYS A SG 1 ATOM 4445 N N . ASP A 1 555 ? -25.878 10.721 1.972 1.00 42.01 ? 555 ASP A N 1 ATOM 4446 C CA . ASP A 1 555 ? -27.350 10.569 1.941 1.00 41.35 ? 555 ASP A CA 1 ATOM 4447 C C . ASP A 1 555 ? -28.110 10.958 3.189 1.00 39.21 ? 555 ASP A C 1 ATOM 4448 O O . ASP A 1 555 ? -29.318 10.990 3.152 1.00 37.74 ? 555 ASP A O 1 ATOM 4449 C CB . ASP A 1 555 ? -27.785 9.124 1.576 1.00 46.81 ? 555 ASP A CB 1 ATOM 4450 C CG . ASP A 1 555 ? -27.121 8.602 0.309 1.00 49.97 ? 555 ASP A CG 1 ATOM 4451 O OD1 . ASP A 1 555 ? -26.907 9.413 -0.639 1.00 45.09 ? 555 ASP A OD1 1 ATOM 4452 O OD2 . ASP A 1 555 ? -26.796 7.393 0.255 1.00 38.01 ? 555 ASP A OD2 1 ATOM 4453 N N . ASN A 1 556 ? -27.468 11.253 4.310 1.00 40.55 ? 556 ASN A N 1 ATOM 4454 C CA . ASN A 1 556 ? -28.244 11.554 5.530 1.00 42.60 ? 556 ASN A CA 1 ATOM 4455 C C . ASN A 1 556 ? -27.887 12.858 6.262 1.00 43.08 ? 556 ASN A C 1 ATOM 4456 O O . ASN A 1 556 ? -28.331 13.094 7.376 1.00 39.97 ? 556 ASN A O 1 ATOM 4457 C CB . ASN A 1 556 ? -28.150 10.372 6.510 1.00 48.45 ? 556 ASN A CB 1 ATOM 4458 C CG . ASN A 1 556 ? -28.926 9.145 6.049 1.00 47.89 ? 556 ASN A CG 1 ATOM 4459 O OD1 . ASN A 1 556 ? -30.151 9.116 6.145 1.00 49.29 ? 556 ASN A OD1 1 ATOM 4460 N ND2 . ASN A 1 556 ? -28.214 8.109 5.601 1.00 51.45 ? 556 ASN A ND2 1 ATOM 4461 N N . THR A 1 557 ? -27.091 13.717 5.640 1.00 47.33 ? 557 THR A N 1 ATOM 4462 C CA . THR A 1 557 ? -26.780 15.029 6.210 1.00 41.07 ? 557 THR A CA 1 ATOM 4463 C C . THR A 1 557 ? -26.748 16.047 5.052 1.00 43.75 ? 557 THR A C 1 ATOM 4464 O O . THR A 1 557 ? -27.133 15.689 3.944 1.00 42.43 ? 557 THR A O 1 ATOM 4465 C CB . THR A 1 557 ? -25.412 14.997 6.875 1.00 39.63 ? 557 THR A CB 1 ATOM 4466 O OG1 . THR A 1 557 ? -24.407 14.831 5.872 1.00 36.09 ? 557 THR A OG1 1 ATOM 4467 C CG2 . THR A 1 557 ? -25.313 13.859 7.926 1.00 42.06 ? 557 THR A CG2 1 ATOM 4468 N N . HIS A 1 558 ? -26.264 17.282 5.290 1.00 42.79 ? 558 HIS A N 1 ATOM 4469 C CA . HIS A 1 558 ? -26.029 18.226 4.169 1.00 46.76 ? 558 HIS A CA 1 ATOM 4470 C C . HIS A 1 558 ? -24.550 18.368 3.900 1.00 52.67 ? 558 HIS A C 1 ATOM 4471 O O . HIS A 1 558 ? -24.084 19.370 3.361 1.00 48.58 ? 558 HIS A O 1 ATOM 4472 C CB . HIS A 1 558 ? -26.731 19.543 4.415 1.00 45.73 ? 558 HIS A CB 1 ATOM 4473 C CG . HIS A 1 558 ? -28.157 19.356 4.833 1.00 48.89 ? 558 HIS A CG 1 ATOM 4474 N ND1 . HIS A 1 558 ? -29.142 18.908 3.973 1.00 50.51 ? 558 HIS A ND1 1 ATOM 4475 C CD2 . HIS A 1 558 ? -28.785 19.630 6.011 1.00 51.91 ? 558 HIS A CD2 1 ATOM 4476 C CE1 . HIS A 1 558 ? -30.307 18.894 4.610 1.00 45.57 ? 558 HIS A CE1 1 ATOM 4477 N NE2 . HIS A 1 558 ? -30.118 19.322 5.844 1.00 46.68 ? 558 HIS A NE2 1 ATOM 4478 N N . ILE A 1 559 ? -23.785 17.317 4.227 1.00 45.51 ? 559 ILE A N 1 ATOM 4479 C CA . ILE A 1 559 ? -22.403 17.304 3.905 1.00 41.93 ? 559 ILE A CA 1 ATOM 4480 C C . ILE A 1 559 ? -22.350 16.730 2.494 1.00 41.47 ? 559 ILE A C 1 ATOM 4481 O O . ILE A 1 559 ? -23.016 15.751 2.215 1.00 44.34 ? 559 ILE A O 1 ATOM 4482 C CB . ILE A 1 559 ? -21.594 16.485 4.944 1.00 40.41 ? 559 ILE A CB 1 ATOM 4483 C CG1 . ILE A 1 559 ? -21.835 17.026 6.376 1.00 43.90 ? 559 ILE A CG1 1 ATOM 4484 C CG2 . ILE A 1 559 ? -20.116 16.487 4.604 1.00 44.35 ? 559 ILE A CG2 1 ATOM 4485 C CD1 . ILE A 1 559 ? -21.489 16.038 7.476 1.00 48.51 ? 559 ILE A CD1 1 ATOM 4486 N N . THR A 1 560 ? -21.550 17.361 1.633 1.00 42.15 ? 560 THR A N 1 ATOM 4487 C CA . THR A 1 560 ? -21.398 17.031 0.218 1.00 36.54 ? 560 THR A CA 1 ATOM 4488 C C . THR A 1 560 ? -19.935 16.788 -0.146 1.00 38.73 ? 560 THR A C 1 ATOM 4489 O O . THR A 1 560 ? -19.616 16.599 -1.321 1.00 37.46 ? 560 THR A O 1 ATOM 4490 C CB . THR A 1 560 ? -21.909 18.210 -0.644 1.00 42.88 ? 560 THR A CB 1 ATOM 4491 O OG1 . THR A 1 560 ? -20.958 19.294 -0.622 1.00 45.85 ? 560 THR A OG1 1 ATOM 4492 C CG2 . THR A 1 560 ? -23.245 18.760 -0.085 1.00 38.96 ? 560 THR A CG2 1 ATOM 4493 N N . LYS A 1 561 ? -19.029 16.889 0.828 1.00 41.15 ? 561 LYS A N 1 ATOM 4494 C CA . LYS A 1 561 ? -17.622 16.614 0.595 1.00 47.87 ? 561 LYS A CA 1 ATOM 4495 C C . LYS A 1 561 ? -17.230 15.571 1.632 1.00 46.67 ? 561 LYS A C 1 ATOM 4496 O O . LYS A 1 561 ? -17.337 15.824 2.843 1.00 43.76 ? 561 LYS A O 1 ATOM 4497 C CB . LYS A 1 561 ? -16.783 17.889 0.705 1.00 59.07 ? 561 LYS A CB 1 ATOM 4498 C CG . LYS A 1 561 ? -17.286 19.021 -0.195 1.00 67.68 ? 561 LYS A CG 1 ATOM 4499 C CD . LYS A 1 561 ? -16.169 19.853 -0.830 1.00 70.97 ? 561 LYS A CD 1 ATOM 4500 C CE . LYS A 1 561 ? -16.691 20.671 -2.009 1.00 76.38 ? 561 LYS A CE 1 ATOM 4501 N NZ . LYS A 1 561 ? -17.451 19.871 -3.034 1.00 77.44 ? 561 LYS A NZ 1 ATOM 4502 N N . VAL A 1 562 ? -16.844 14.392 1.144 1.00 45.71 ? 562 VAL A N 1 ATOM 4503 C CA . VAL A 1 562 ? -16.487 13.276 1.997 1.00 43.00 ? 562 VAL A CA 1 ATOM 4504 C C . VAL A 1 562 ? -15.233 12.599 1.461 1.00 46.00 ? 562 VAL A C 1 ATOM 4505 O O . VAL A 1 562 ? -14.828 12.802 0.265 1.00 38.51 ? 562 VAL A O 1 ATOM 4506 C CB . VAL A 1 562 ? -17.635 12.288 2.137 1.00 44.62 ? 562 VAL A CB 1 ATOM 4507 C CG1 . VAL A 1 562 ? -18.846 12.947 2.778 1.00 40.77 ? 562 VAL A CG1 1 ATOM 4508 C CG2 . VAL A 1 562 ? -18.037 11.695 0.790 1.00 48.92 ? 562 VAL A CG2 1 ATOM 4509 N N . PRO A 1 563 ? -14.575 11.828 2.342 1.00 41.45 ? 563 PRO A N 1 ATOM 4510 C CA . PRO A 1 563 ? -13.529 10.935 1.875 1.00 40.97 ? 563 PRO A CA 1 ATOM 4511 C C . PRO A 1 563 ? -14.105 9.665 1.290 1.00 35.21 ? 563 PRO A C 1 ATOM 4512 O O . PRO A 1 563 ? -15.213 9.325 1.564 1.00 34.00 ? 563 PRO A O 1 ATOM 4513 C CB . PRO A 1 563 ? -12.716 10.650 3.143 1.00 40.79 ? 563 PRO A CB 1 ATOM 4514 C CG . PRO A 1 563 ? -13.693 10.812 4.240 1.00 39.50 ? 563 PRO A CG 1 ATOM 4515 C CD . PRO A 1 563 ? -14.608 11.903 3.816 1.00 42.21 ? 563 PRO A CD 1 ATOM 4516 N N . LEU A 1 564 ? -13.347 8.979 0.453 1.00 38.90 ? 564 LEU A N 1 ATOM 4517 C CA . LEU A 1 564 ? -13.833 7.710 -0.042 1.00 40.63 ? 564 LEU A CA 1 ATOM 4518 C C . LEU A 1 564 ? -13.690 6.668 1.079 1.00 38.78 ? 564 LEU A C 1 ATOM 4519 O O . LEU A 1 564 ? -14.535 5.803 1.229 1.00 35.90 ? 564 LEU A O 1 ATOM 4520 C CB . LEU A 1 564 ? -13.045 7.301 -1.291 1.00 45.07 ? 564 LEU A CB 1 ATOM 4521 C CG . LEU A 1 564 ? -13.292 8.077 -2.605 1.00 43.94 ? 564 LEU A CG 1 ATOM 4522 C CD1 . LEU A 1 564 ? -12.462 7.479 -3.735 1.00 43.81 ? 564 LEU A CD1 1 ATOM 4523 C CD2 . LEU A 1 564 ? -14.762 8.046 -2.944 1.00 41.59 ? 564 LEU A CD2 1 ATOM 4524 N N . HIS A 1 565 ? -12.630 6.816 1.866 1.00 38.97 ? 565 HIS A N 1 ATOM 4525 C CA . HIS A 1 565 ? -12.247 5.872 2.911 1.00 38.51 ? 565 HIS A CA 1 ATOM 4526 C C . HIS A 1 565 ? -12.401 6.568 4.310 1.00 34.99 ? 565 HIS A C 1 ATOM 4527 O O . HIS A 1 565 ? -11.459 7.012 4.876 1.00 34.54 ? 565 HIS A O 1 ATOM 4528 C CB . HIS A 1 565 ? -10.816 5.427 2.583 1.00 41.31 ? 565 HIS A CB 1 ATOM 4529 C CG . HIS A 1 565 ? -10.673 4.862 1.190 1.00 50.42 ? 565 HIS A CG 1 ATOM 4530 N ND1 . HIS A 1 565 ? -11.336 3.725 0.776 1.00 55.43 ? 565 HIS A ND1 1 ATOM 4531 C CD2 . HIS A 1 565 ? -9.997 5.315 0.104 1.00 53.18 ? 565 HIS A CD2 1 ATOM 4532 C CE1 . HIS A 1 565 ? -11.069 3.496 -0.498 1.00 58.27 ? 565 HIS A CE1 1 ATOM 4533 N NE2 . HIS A 1 565 ? -10.251 4.441 -0.928 1.00 55.21 ? 565 HIS A NE2 1 ATOM 4534 N N . ALA A 1 566 ? -13.599 6.596 4.857 1.00 36.64 ? 566 ALA A N 1 ATOM 4535 C CA . ALA A 1 566 ? -13.915 7.391 6.055 1.00 32.76 ? 566 ALA A CA 1 ATOM 4536 C C . ALA A 1 566 ? -13.135 7.082 7.374 1.00 33.91 ? 566 ALA A C 1 ATOM 4537 O O . ALA A 1 566 ? -13.052 7.917 8.263 1.00 30.28 ? 566 ALA A O 1 ATOM 4538 C CB . ALA A 1 566 ? -15.404 7.354 6.287 1.00 33.16 ? 566 ALA A CB 1 ATOM 4539 N N . PHE A 1 567 ? -12.457 5.947 7.444 1.00 34.49 ? 567 PHE A N 1 ATOM 4540 C CA . PHE A 1 567 ? -11.782 5.516 8.689 1.00 35.08 ? 567 PHE A CA 1 ATOM 4541 C C . PHE A 1 567 ? -10.344 5.884 8.703 1.00 34.73 ? 567 PHE A C 1 ATOM 4542 O O . PHE A 1 567 ? -9.762 5.983 9.786 1.00 31.65 ? 567 PHE A O 1 ATOM 4543 C CB . PHE A 1 567 ? -11.932 3.992 8.983 1.00 33.90 ? 567 PHE A CB 1 ATOM 4544 C CG . PHE A 1 567 ? -13.338 3.567 9.345 1.00 35.17 ? 567 PHE A CG 1 ATOM 4545 C CD1 . PHE A 1 567 ? -13.995 4.138 10.391 1.00 43.26 ? 567 PHE A CD1 1 ATOM 4546 C CD2 . PHE A 1 567 ? -13.999 2.561 8.654 1.00 43.52 ? 567 PHE A CD2 1 ATOM 4547 C CE1 . PHE A 1 567 ? -15.287 3.742 10.715 1.00 47.03 ? 567 PHE A CE1 1 ATOM 4548 C CE2 . PHE A 1 567 ? -15.278 2.157 8.987 1.00 42.40 ? 567 PHE A CE2 1 ATOM 4549 C CZ . PHE A 1 567 ? -15.928 2.744 10.017 1.00 42.40 ? 567 PHE A CZ 1 ATOM 4550 N N . GLN A 1 568 ? -9.743 6.094 7.535 1.00 29.72 ? 568 GLN A N 1 ATOM 4551 C CA . GLN A 1 568 ? -8.388 6.608 7.527 1.00 34.45 ? 568 GLN A CA 1 ATOM 4552 C C . GLN A 1 568 ? -8.420 8.116 7.913 1.00 28.62 ? 568 GLN A C 1 ATOM 4553 O O . GLN A 1 568 ? -9.483 8.733 8.043 1.00 28.49 ? 568 GLN A O 1 ATOM 4554 C CB . GLN A 1 568 ? -7.626 6.242 6.218 1.00 43.25 ? 568 GLN A CB 1 ATOM 4555 C CG . GLN A 1 568 ? -8.085 6.958 4.946 1.00 47.57 ? 568 GLN A CG 1 ATOM 4556 C CD . GLN A 1 568 ? -7.163 6.712 3.724 1.00 55.36 ? 568 GLN A CD 1 ATOM 4557 O OE1 . GLN A 1 568 ? -7.160 5.624 3.151 1.00 62.93 ? 568 GLN A OE1 1 ATOM 4558 N NE2 . GLN A 1 568 ? -6.401 7.734 3.321 1.00 54.74 ? 568 GLN A NE2 1 ATOM 4559 N N . ALA A 1 569 ? -7.264 8.625 8.272 1.00 31.33 ? 569 ALA A N 1 ATOM 4560 C CA . ALA A 1 569 ? -7.127 10.027 8.627 1.00 35.83 ? 569 ALA A CA 1 ATOM 4561 C C . ALA A 1 569 ? -7.209 10.783 7.307 1.00 39.93 ? 569 ALA A C 1 ATOM 4562 O O . ALA A 1 569 ? -6.398 10.506 6.388 1.00 41.96 ? 569 ALA A O 1 ATOM 4563 C CB . ALA A 1 569 ? -5.798 10.286 9.272 1.00 34.99 ? 569 ALA A CB 1 ATOM 4564 N N . ASN A 1 570 ? -8.230 11.621 7.189 1.00 35.27 ? 570 ASN A N 1 ATOM 4565 C CA . ASN A 1 570 ? -8.482 12.405 5.973 1.00 39.11 ? 570 ASN A CA 1 ATOM 4566 C C . ASN A 1 570 ? -8.548 13.872 6.289 1.00 39.62 ? 570 ASN A C 1 ATOM 4567 O O . ASN A 1 570 ? -9.349 14.288 7.131 1.00 34.53 ? 570 ASN A O 1 ATOM 4568 C CB . ASN A 1 570 ? -9.784 12.009 5.321 1.00 34.82 ? 570 ASN A CB 1 ATOM 4569 C CG . ASN A 1 570 ? -9.702 10.633 4.724 1.00 37.47 ? 570 ASN A CG 1 ATOM 4570 O OD1 . ASN A 1 570 ? -8.849 10.373 3.807 1.00 36.58 ? 570 ASN A OD1 1 ATOM 4571 N ND2 . ASN A 1 570 ? -10.481 9.704 5.288 1.00 32.97 ? 570 ASN A ND2 1 ATOM 4572 N N . ASN A 1 571 ? -7.749 14.614 5.519 1.00 41.11 ? 571 ASN A N 1 ATOM 4573 C CA . ASN A 1 571 ? -7.613 16.067 5.608 1.00 44.58 ? 571 ASN A CA 1 ATOM 4574 C C . ASN A 1 571 ? -8.274 16.780 4.408 1.00 46.91 ? 571 ASN A C 1 ATOM 4575 O O . ASN A 1 571 ? -8.170 16.344 3.250 1.00 43.14 ? 571 ASN A O 1 ATOM 4576 C CB . ASN A 1 571 ? -6.154 16.421 5.654 1.00 41.24 ? 571 ASN A CB 1 ATOM 4577 C CG . ASN A 1 571 ? -5.460 15.879 6.885 1.00 44.72 ? 571 ASN A CG 1 ATOM 4578 O OD1 . ASN A 1 571 ? -6.006 15.889 7.995 1.00 39.38 ? 571 ASN A OD1 1 ATOM 4579 N ND2 . ASN A 1 571 ? -4.233 15.428 6.700 1.00 46.31 ? 571 ASN A ND2 1 ATOM 4580 N N . TYR A 1 572 ? -8.927 17.843 4.740 1.00 46.73 ? 572 TYR A N 1 ATOM 4581 C CA . TYR A 1 572 ? -9.712 18.618 3.808 1.00 48.41 ? 572 TYR A CA 1 ATOM 4582 C C . TYR A 1 572 ? -8.848 19.742 3.225 1.00 47.04 ? 572 TYR A C 1 ATOM 4583 O O . TYR A 1 572 ? -8.014 20.310 3.920 1.00 35.14 ? 572 TYR A O 1 ATOM 4584 C CB . TYR A 1 572 ? -10.955 19.202 4.500 1.00 48.34 ? 572 TYR A CB 1 ATOM 4585 C CG . TYR A 1 572 ? -11.819 20.008 3.556 1.00 53.79 ? 572 TYR A CG 1 ATOM 4586 C CD1 . TYR A 1 572 ? -12.790 19.391 2.776 1.00 53.13 ? 572 TYR A CD1 1 ATOM 4587 C CD2 . TYR A 1 572 ? -11.622 21.385 3.401 1.00 54.21 ? 572 TYR A CD2 1 ATOM 4588 C CE1 . TYR A 1 572 ? -13.558 20.115 1.889 1.00 57.88 ? 572 TYR A CE1 1 ATOM 4589 C CE2 . TYR A 1 572 ? -12.397 22.126 2.538 1.00 50.27 ? 572 TYR A CE2 1 ATOM 4590 C CZ . TYR A 1 572 ? -13.350 21.493 1.775 1.00 55.99 ? 572 TYR A CZ 1 ATOM 4591 O OH . TYR A 1 572 ? -14.098 22.223 0.893 1.00 55.04 ? 572 TYR A OH 1 ATOM 4592 N N . PRO A 1 573 ? -9.030 20.051 1.923 1.00 49.51 ? 573 PRO A N 1 ATOM 4593 C CA . PRO A 1 573 ? -9.870 19.317 0.998 1.00 45.41 ? 573 PRO A CA 1 ATOM 4594 C C . PRO A 1 573 ? -9.106 18.255 0.233 1.00 40.07 ? 573 PRO A C 1 ATOM 4595 O O . PRO A 1 573 ? -9.697 17.574 -0.542 1.00 43.05 ? 573 PRO A O 1 ATOM 4596 C CB . PRO A 1 573 ? -10.403 20.421 0.064 1.00 49.76 ? 573 PRO A CB 1 ATOM 4597 C CG . PRO A 1 573 ? -9.420 21.553 0.167 1.00 48.52 ? 573 PRO A CG 1 ATOM 4598 C CD . PRO A 1 573 ? -8.446 21.247 1.279 1.00 48.04 ? 573 PRO A CD 1 ATOM 4599 N N . HIS A 1 574 ? -7.775 18.119 0.411 1.00 51.26 ? 574 HIS A N 1 ATOM 4600 C CA . HIS A 1 574 ? -7.019 17.203 -0.441 1.00 52.07 ? 574 HIS A CA 1 ATOM 4601 C C . HIS A 1 574 ? -7.559 15.786 -0.539 1.00 52.27 ? 574 HIS A C 1 ATOM 4602 O O . HIS A 1 574 ? -7.592 15.221 -1.628 1.00 54.83 ? 574 HIS A O 1 ATOM 4603 C CB . HIS A 1 574 ? -5.558 17.134 -0.021 1.00 58.98 ? 574 HIS A CB 1 ATOM 4604 C CG . HIS A 1 574 ? -4.751 16.193 -0.860 1.00 70.93 ? 574 HIS A CG 1 ATOM 4605 N ND1 . HIS A 1 574 ? -4.897 14.820 -0.794 1.00 75.76 ? 574 HIS A ND1 1 ATOM 4606 C CD2 . HIS A 1 574 ? -3.806 16.423 -1.801 1.00 74.11 ? 574 HIS A CD2 1 ATOM 4607 C CE1 . HIS A 1 574 ? -4.066 14.248 -1.643 1.00 76.99 ? 574 HIS A CE1 1 ATOM 4608 N NE2 . HIS A 1 574 ? -3.391 15.198 -2.265 1.00 80.61 ? 574 HIS A NE2 1 ATOM 4609 N N . ASP A 1 575 ? -7.921 15.180 0.593 1.00 48.42 ? 575 ASP A N 1 ATOM 4610 C CA . ASP A 1 575 ? -8.400 13.786 0.595 1.00 44.84 ? 575 ASP A CA 1 ATOM 4611 C C . ASP A 1 575 ? -9.905 13.756 0.578 1.00 38.80 ? 575 ASP A C 1 ATOM 4612 O O . ASP A 1 575 ? -10.464 12.712 0.841 1.00 43.51 ? 575 ASP A O 1 ATOM 4613 C CB . ASP A 1 575 ? -7.943 12.975 1.821 1.00 39.30 ? 575 ASP A CB 1 ATOM 4614 C CG . ASP A 1 575 ? -6.534 13.166 2.125 1.00 46.28 ? 575 ASP A CG 1 ATOM 4615 O OD1 . ASP A 1 575 ? -5.694 12.809 1.263 1.00 46.98 ? 575 ASP A OD1 1 ATOM 4616 O OD2 . ASP A 1 575 ? -6.251 13.725 3.215 1.00 40.31 ? 575 ASP A OD2 1 ATOM 4617 N N . PHE A 1 576 ? -10.562 14.860 0.254 1.00 36.20 ? 576 PHE A N 1 ATOM 4618 C CA . PHE A 1 576 ? -12.033 14.869 0.149 1.00 35.62 ? 576 PHE A CA 1 ATOM 4619 C C . PHE A 1 576 ? -12.420 14.988 -1.329 1.00 47.76 ? 576 PHE A C 1 ATOM 4620 O O . PHE A 1 576 ? -11.577 15.306 -2.199 1.00 40.47 ? 576 PHE A O 1 ATOM 4621 C CB . PHE A 1 576 ? -12.658 15.999 0.966 1.00 37.23 ? 576 PHE A CB 1 ATOM 4622 C CG . PHE A 1 576 ? -12.718 15.722 2.479 1.00 33.66 ? 576 PHE A CG 1 ATOM 4623 C CD1 . PHE A 1 576 ? -11.577 15.496 3.221 1.00 36.30 ? 576 PHE A CD1 1 ATOM 4624 C CD2 . PHE A 1 576 ? -13.920 15.686 3.118 1.00 32.34 ? 576 PHE A CD2 1 ATOM 4625 C CE1 . PHE A 1 576 ? -11.659 15.249 4.599 1.00 35.66 ? 576 PHE A CE1 1 ATOM 4626 C CE2 . PHE A 1 576 ? -14.012 15.449 4.478 1.00 34.02 ? 576 PHE A CE2 1 ATOM 4627 C CZ . PHE A 1 576 ? -12.895 15.223 5.219 1.00 31.50 ? 576 PHE A CZ 1 ATOM 4628 N N . VAL A 1 577 ? -13.673 14.643 -1.613 1.00 42.09 ? 577 VAL A N 1 ATOM 4629 C CA . VAL A 1 577 ? -14.192 14.604 -2.994 1.00 45.30 ? 577 VAL A CA 1 ATOM 4630 C C . VAL A 1 577 ? -15.668 14.831 -2.828 1.00 42.94 ? 577 VAL A C 1 ATOM 4631 O O . VAL A 1 577 ? -16.168 14.668 -1.733 1.00 37.23 ? 577 VAL A O 1 ATOM 4632 C CB . VAL A 1 577 ? -13.939 13.281 -3.749 1.00 40.11 ? 577 VAL A CB 1 ATOM 4633 C CG1 . VAL A 1 577 ? -12.459 12.974 -3.882 1.00 44.33 ? 577 VAL A CG1 1 ATOM 4634 C CG2 . VAL A 1 577 ? -14.638 12.113 -3.099 1.00 44.41 ? 577 VAL A CG2 1 ATOM 4635 N N . ASP A 1 578 ? -16.361 15.268 -3.873 1.00 45.95 ? 578 ASP A N 1 ATOM 4636 C CA . ASP A 1 578 ? -17.797 15.611 -3.727 1.00 40.74 ? 578 ASP A CA 1 ATOM 4637 C C . ASP A 1 578 ? -18.578 14.340 -3.639 1.00 43.25 ? 578 ASP A C 1 ATOM 4638 O O . ASP A 1 578 ? -18.100 13.311 -4.125 1.00 40.55 ? 578 ASP A O 1 ATOM 4639 C CB . ASP A 1 578 ? -18.302 16.528 -4.894 1.00 49.30 ? 578 ASP A CB 1 ATOM 4640 C CG . ASP A 1 578 ? -19.829 16.540 -5.029 1.00 46.14 ? 578 ASP A CG 1 ATOM 4641 O OD1 . ASP A 1 578 ? -20.578 17.047 -4.145 1.00 49.13 ? 578 ASP A OD1 1 ATOM 4642 O OD2 . ASP A 1 578 ? -20.290 15.963 -6.027 1.00 53.66 ? 578 ASP A OD2 1 ATOM 4643 N N . CYS A 1 579 ? -19.776 14.401 -3.041 1.00 44.08 ? 579 CYS A N 1 ATOM 4644 C CA . CYS A 1 579 ? -20.671 13.241 -2.884 1.00 43.04 ? 579 CYS A CA 1 ATOM 4645 C C . CYS A 1 579 ? -21.120 12.482 -4.121 1.00 54.41 ? 579 CYS A C 1 ATOM 4646 O O . CYS A 1 579 ? -21.506 11.311 -4.020 1.00 54.72 ? 579 CYS A O 1 ATOM 4647 C CB . CYS A 1 579 ? -21.945 13.644 -2.125 1.00 42.25 ? 579 CYS A CB 1 ATOM 4648 S SG . CYS A 1 579 ? -21.679 13.746 -0.347 1.00 48.91 ? 579 CYS A SG 1 ATOM 4649 N N . SER A 1 580 ? -21.130 13.146 -5.271 1.00 49.87 ? 580 SER A N 1 ATOM 4650 C CA . SER A 1 580 ? -21.572 12.521 -6.512 1.00 52.74 ? 580 SER A CA 1 ATOM 4651 C C . SER A 1 580 ? -20.573 11.507 -7.077 1.00 54.34 ? 580 SER A C 1 ATOM 4652 O O . SER A 1 580 ? -20.962 10.679 -7.921 1.00 60.85 ? 580 SER A O 1 ATOM 4653 C CB . SER A 1 580 ? -21.838 13.610 -7.547 1.00 47.39 ? 580 SER A CB 1 ATOM 4654 O OG . SER A 1 580 ? -22.690 14.579 -6.978 1.00 47.36 ? 580 SER A OG 1 ATOM 4655 N N . THR A 1 581 ? -19.306 11.572 -6.636 1.00 50.38 ? 581 THR A N 1 ATOM 4656 C CA . THR A 1 581 ? -18.287 10.579 -6.999 1.00 55.56 ? 581 THR A CA 1 ATOM 4657 C C . THR A 1 581 ? -18.191 9.301 -6.091 1.00 52.09 ? 581 THR A C 1 ATOM 4658 O O . THR A 1 581 ? -17.233 8.521 -6.204 1.00 47.97 ? 581 THR A O 1 ATOM 4659 C CB . THR A 1 581 ? -16.898 11.259 -7.114 1.00 63.77 ? 581 THR A CB 1 ATOM 4660 O OG1 . THR A 1 581 ? -16.065 10.519 -8.012 1.00 80.87 ? 581 THR A OG1 1 ATOM 4661 C CG2 . THR A 1 581 ? -16.190 11.377 -5.785 1.00 68.76 ? 581 THR A CG2 1 ATOM 4662 N N . VAL A 1 582 ? -19.187 9.078 -5.244 1.00 44.30 ? 582 VAL A N 1 ATOM 4663 C CA . VAL A 1 582 ? -19.159 8.005 -4.256 1.00 49.78 ? 582 VAL A CA 1 ATOM 4664 C C . VAL A 1 582 ? -20.326 7.110 -4.539 1.00 51.73 ? 582 VAL A C 1 ATOM 4665 O O . VAL A 1 582 ? -21.467 7.591 -4.520 1.00 49.33 ? 582 VAL A O 1 ATOM 4666 C CB . VAL A 1 582 ? -19.355 8.576 -2.819 1.00 51.57 ? 582 VAL A CB 1 ATOM 4667 C CG1 . VAL A 1 582 ? -19.500 7.457 -1.780 1.00 55.47 ? 582 VAL A CG1 1 ATOM 4668 C CG2 . VAL A 1 582 ? -18.211 9.514 -2.460 1.00 47.63 ? 582 VAL A CG2 1 ATOM 4669 N N . ASP A 1 583 ? -20.085 5.811 -4.724 1.00 53.07 ? 583 ASP A N 1 ATOM 4670 C CA . ASP A 1 583 ? -21.174 4.929 -5.201 1.00 53.78 ? 583 ASP A CA 1 ATOM 4671 C C . ASP A 1 583 ? -22.370 4.993 -4.289 1.00 48.75 ? 583 ASP A C 1 ATOM 4672 O O . ASP A 1 583 ? -22.198 5.172 -3.100 1.00 54.84 ? 583 ASP A O 1 ATOM 4673 C CB . ASP A 1 583 ? -20.703 3.495 -5.341 1.00 55.02 ? 583 ASP A CB 1 ATOM 4674 C CG . ASP A 1 583 ? -19.537 3.368 -6.296 1.00 56.71 ? 583 ASP A CG 1 ATOM 4675 O OD1 . ASP A 1 583 ? -19.341 4.254 -7.166 1.00 49.20 ? 583 ASP A OD1 1 ATOM 4676 O OD2 . ASP A 1 583 ? -18.803 2.385 -6.149 1.00 60.92 ? 583 ASP A OD2 1 ATOM 4677 N N . LYS A 1 584 ? -23.558 4.863 -4.873 1.00 48.83 ? 584 LYS A N 1 ATOM 4678 C CA . LYS A 1 584 ? -24.861 4.896 -4.179 1.00 49.14 ? 584 LYS A CA 1 ATOM 4679 C C . LYS A 1 584 ? -25.384 3.517 -3.922 1.00 48.37 ? 584 LYS A C 1 ATOM 4680 O O . LYS A 1 584 ? -24.920 2.555 -4.534 1.00 51.89 ? 584 LYS A O 1 ATOM 4681 C CB . LYS A 1 584 ? -25.895 5.645 -4.996 1.00 54.75 ? 584 LYS A CB 1 ATOM 4682 C CG . LYS A 1 584 ? -25.338 6.949 -5.511 1.00 65.41 ? 584 LYS A CG 1 ATOM 4683 C CD . LYS A 1 584 ? -26.403 7.932 -5.933 1.00 71.62 ? 584 LYS A CD 1 ATOM 4684 C CE . LYS A 1 584 ? -25.742 9.292 -6.099 1.00 80.02 ? 584 LYS A CE 1 ATOM 4685 N NZ . LYS A 1 584 ? -26.600 10.240 -6.851 1.00 84.43 ? 584 LYS A NZ 1 ATOM 4686 N N . LEU A 1 585 ? -26.348 3.413 -3.014 1.00 46.33 ? 585 LEU A N 1 ATOM 4687 C CA . LEU A 1 585 ? -26.983 2.155 -2.738 1.00 46.50 ? 585 LEU A CA 1 ATOM 4688 C C . LEU A 1 585 ? -28.074 1.943 -3.752 1.00 49.48 ? 585 LEU A C 1 ATOM 4689 O O . LEU A 1 585 ? -29.204 2.441 -3.560 1.00 51.83 ? 585 LEU A O 1 ATOM 4690 C CB . LEU A 1 585 ? -27.609 2.102 -1.333 1.00 43.35 ? 585 LEU A CB 1 ATOM 4691 C CG . LEU A 1 585 ? -28.438 0.825 -1.104 1.00 41.87 ? 585 LEU A CG 1 ATOM 4692 C CD1 . LEU A 1 585 ? -27.631 -0.452 -1.243 1.00 40.77 ? 585 LEU A CD1 1 ATOM 4693 C CD2 . LEU A 1 585 ? -29.179 0.859 0.205 1.00 43.75 ? 585 LEU A CD2 1 ATOM 4694 N N . ASP A 1 586 ? -27.771 1.154 -4.784 1.00 51.90 ? 586 ASP A N 1 ATOM 4695 C CA . ASP A 1 586 ? -28.783 0.860 -5.821 1.00 47.04 ? 586 ASP A CA 1 ATOM 4696 C C . ASP A 1 586 ? -29.794 -0.142 -5.278 1.00 42.99 ? 586 ASP A C 1 ATOM 4697 O O . ASP A 1 586 ? -29.519 -1.349 -5.207 1.00 45.20 ? 586 ASP A O 1 ATOM 4698 C CB . ASP A 1 586 ? -28.143 0.311 -7.102 1.00 50.98 ? 586 ASP A CB 1 ATOM 4699 C CG . ASP A 1 586 ? -29.200 -0.059 -8.188 1.00 47.72 ? 586 ASP A CG 1 ATOM 4700 O OD1 . ASP A 1 586 ? -30.424 0.220 -8.001 1.00 40.87 ? 586 ASP A OD1 1 ATOM 4701 O OD2 . ASP A 1 586 ? -28.792 -0.682 -9.189 1.00 49.51 ? 586 ASP A OD2 1 ATOM 4702 N N . LEU A 1 587 ? -30.963 0.365 -4.907 1.00 42.84 ? 587 LEU A N 1 ATOM 4703 C CA . LEU A 1 587 ? -32.059 -0.463 -4.412 1.00 41.56 ? 587 LEU A CA 1 ATOM 4704 C C . LEU A 1 587 ? -32.945 -1.190 -5.476 1.00 53.42 ? 587 LEU A C 1 ATOM 4705 O O . LEU A 1 587 ? -33.952 -1.838 -5.106 1.00 53.72 ? 587 LEU A O 1 ATOM 4706 C CB . LEU A 1 587 ? -32.976 0.408 -3.558 1.00 42.44 ? 587 LEU A CB 1 ATOM 4707 C CG . LEU A 1 587 ? -32.308 0.762 -2.230 1.00 51.15 ? 587 LEU A CG 1 ATOM 4708 C CD1 . LEU A 1 587 ? -32.722 2.163 -1.828 1.00 53.42 ? 587 LEU A CD1 1 ATOM 4709 C CD2 . LEU A 1 587 ? -32.627 -0.270 -1.130 1.00 54.63 ? 587 LEU A CD2 1 ATOM 4710 N N . SER A 1 588 ? -32.602 -1.080 -6.770 1.00 57.45 ? 588 SER A N 1 ATOM 4711 C CA . SER A 1 588 ? -33.358 -1.790 -7.830 1.00 58.63 ? 588 SER A CA 1 ATOM 4712 C C . SER A 1 588 ? -33.629 -3.236 -7.437 1.00 57.93 ? 588 SER A C 1 ATOM 4713 O O . SER A 1 588 ? -34.792 -3.670 -7.518 1.00 65.59 ? 588 SER A O 1 ATOM 4714 C CB . SER A 1 588 ? -32.652 -1.764 -9.200 1.00 53.89 ? 588 SER A CB 1 ATOM 4715 O OG . SER A 1 588 ? -32.464 -0.446 -9.648 1.00 50.59 ? 588 SER A OG 1 ATOM 4716 N N . PRO A 1 589 ? -32.589 -3.962 -6.938 1.00 51.23 ? 589 PRO A N 1 ATOM 4717 C CA . PRO A 1 589 ? -32.855 -5.377 -6.708 1.00 51.64 ? 589 PRO A CA 1 ATOM 4718 C C . PRO A 1 589 ? -33.855 -5.724 -5.586 1.00 47.05 ? 589 PRO A C 1 ATOM 4719 O O . PRO A 1 589 ? -34.085 -6.901 -5.369 1.00 56.40 ? 589 PRO A O 1 ATOM 4720 C CB . PRO A 1 589 ? -31.439 -5.985 -6.529 1.00 56.29 ? 589 PRO A CB 1 ATOM 4721 C CG . PRO A 1 589 ? -30.514 -5.008 -7.204 1.00 51.20 ? 589 PRO A CG 1 ATOM 4722 C CD . PRO A 1 589 ? -31.137 -3.685 -6.867 1.00 51.97 ? 589 PRO A CD 1 ATOM 4723 N N . TRP A 1 590 ? -34.481 -4.734 -4.944 1.00 47.93 ? 590 TRP A N 1 ATOM 4724 C CA . TRP A 1 590 ? -35.556 -4.926 -3.955 1.00 48.67 ? 590 TRP A CA 1 ATOM 4725 C C . TRP A 1 590 ? -36.928 -4.806 -4.568 1.00 55.04 ? 590 TRP A C 1 ATOM 4726 O O . TRP A 1 590 ? -37.928 -5.059 -3.882 1.00 53.73 ? 590 TRP A O 1 ATOM 4727 C CB . TRP A 1 590 ? -35.454 -3.866 -2.809 1.00 49.87 ? 590 TRP A CB 1 ATOM 4728 C CG . TRP A 1 590 ? -34.470 -4.293 -1.735 1.00 45.42 ? 590 TRP A CG 1 ATOM 4729 C CD1 . TRP A 1 590 ? -34.772 -4.816 -0.497 1.00 42.69 ? 590 TRP A CD1 1 ATOM 4730 C CD2 . TRP A 1 590 ? -33.052 -4.324 -1.858 1.00 44.03 ? 590 TRP A CD2 1 ATOM 4731 N NE1 . TRP A 1 590 ? -33.603 -5.147 0.167 1.00 44.52 ? 590 TRP A NE1 1 ATOM 4732 C CE2 . TRP A 1 590 ? -32.535 -4.845 -0.650 1.00 49.27 ? 590 TRP A CE2 1 ATOM 4733 C CE3 . TRP A 1 590 ? -32.157 -3.939 -2.863 1.00 49.39 ? 590 TRP A CE3 1 ATOM 4734 C CZ2 . TRP A 1 590 ? -31.158 -5.004 -0.441 1.00 50.36 ? 590 TRP A CZ2 1 ATOM 4735 C CZ3 . TRP A 1 590 ? -30.791 -4.074 -2.646 1.00 53.50 ? 590 TRP A CZ3 1 ATOM 4736 C CH2 . TRP A 1 590 ? -30.303 -4.611 -1.446 1.00 54.60 ? 590 TRP A CH2 1 ATOM 4737 N N . ALA A 1 591 ? -36.982 -4.331 -5.823 1.00 66.27 ? 591 ALA A N 1 ATOM 4738 C CA . ALA A 1 591 ? -38.241 -4.231 -6.586 1.00 70.80 ? 591 ALA A CA 1 ATOM 4739 C C . ALA A 1 591 ? -38.971 -5.573 -6.618 1.00 71.53 ? 591 ALA A C 1 ATOM 4740 O O . ALA A 1 591 ? -38.433 -6.543 -7.156 1.00 71.80 ? 591 ALA A O 1 ATOM 4741 C CB . ALA A 1 591 ? -37.970 -3.764 -8.015 1.00 70.42 ? 591 ALA A CB 1 ATOM 4742 N N . SER A 1 592 ? -40.169 -5.624 -6.031 1.00 74.14 ? 592 SER A N 1 ATOM 4743 C CA . SER A 1 592 ? -40.995 -6.833 -6.019 1.00 81.50 ? 592 SER A CA 1 ATOM 4744 C C . SER A 1 592 ? -42.288 -6.614 -6.817 1.00 94.89 ? 592 SER A C 1 ATOM 4745 O O . SER A 1 592 ? -43.153 -5.822 -6.419 1.00 98.25 ? 592 SER A O 1 ATOM 4746 C CB . SER A 1 592 ? -41.319 -7.256 -4.582 1.00 82.64 ? 592 SER A CB 1 ATOM 4747 O OG . SER A 1 592 ? -42.424 -6.539 -4.036 1.00 79.85 ? 592 SER A OG 1 ATOM 4748 N N . ARG A 1 593 ? -42.398 -7.302 -7.951 1.00 105.53 ? 593 ARG A N 1 ATOM 4749 C CA . ARG A 1 593 ? -43.646 -7.378 -8.704 1.00 116.74 ? 593 ARG A CA 1 ATOM 4750 C C . ARG A 1 593 ? -44.304 -8.738 -8.436 1.00 124.36 ? 593 ARG A C 1 ATOM 4751 O O . ARG A 1 593 ? -43.955 -9.732 -9.095 1.00 132.22 ? 593 ARG A O 1 ATOM 4752 C CB . ARG A 1 593 ? -43.390 -7.152 -10.209 1.00 117.59 ? 593 ARG A CB 1 ATOM 4753 C CG . ARG A 1 593 ? -43.609 -5.718 -10.665 1.00 116.94 ? 593 ARG A CG 1 ATOM 4754 C CD . ARG A 1 593 ? -45.097 -5.433 -10.771 1.00 118.58 ? 593 ARG A CD 1 ATOM 4755 N NE . ARG A 1 593 ? -45.398 -4.045 -11.107 1.00 121.82 ? 593 ARG A NE 1 ATOM 4756 C CZ . ARG A 1 593 ? -45.408 -3.525 -12.336 1.00 123.38 ? 593 ARG A CZ 1 ATOM 4757 N NH1 . ARG A 1 593 ? -45.107 -4.261 -13.409 1.00 122.55 ? 593 ARG A NH1 1 ATOM 4758 N NH2 . ARG A 1 593 ? -45.718 -2.240 -12.493 1.00 123.63 ? 593 ARG A NH2 1 ATOM 4759 N N . GLU A 1 594 ? -45.233 -8.775 -7.462 1.00 124.96 ? 594 GLU A N 1 ATOM 4760 C CA . GLU A 1 594 ? -46.045 -9.981 -7.146 1.00 127.20 ? 594 GLU A CA 1 ATOM 4761 C C . GLU A 1 594 ? -47.339 -10.040 -8.002 1.00 144.36 ? 594 GLU A C 1 ATOM 4762 O O . GLU A 1 594 ? -48.437 -10.256 -7.471 1.00 154.76 ? 594 GLU A O 1 ATOM 4763 C CB . GLU A 1 594 ? -46.428 -10.061 -5.644 1.00 108.76 ? 594 GLU A CB 1 ATOM 4764 C CG . GLU A 1 594 ? -45.318 -9.845 -4.622 1.00 97.67 ? 594 GLU A CG 1 ATOM 4765 C CD . GLU A 1 594 ? -45.370 -8.464 -3.994 1.00 88.41 ? 594 GLU A CD 1 ATOM 4766 O OE1 . GLU A 1 594 ? -45.863 -8.340 -2.854 1.00 79.82 ? 594 GLU A OE1 1 ATOM 4767 O OE2 . GLU A 1 594 ? -44.941 -7.501 -4.657 1.00 77.61 ? 594 GLU A OE2 1 ATOM 4768 N N . ASN A 1 595 ? -47.201 -9.877 -9.322 1.00 151.68 ? 595 ASN A N 1 ATOM 4769 C CA . ASN A 1 595 ? -48.347 -9.769 -10.239 1.00 147.64 ? 595 ASN A CA 1 ATOM 4770 C C . ASN A 1 595 ? -49.047 -11.120 -10.423 1.00 141.51 ? 595 ASN A C 1 ATOM 4771 O O . ASN A 1 595 ? -48.477 -12.060 -10.977 1.00 128.88 ? 595 ASN A O 1 ATOM 4772 C CB . ASN A 1 595 ? -47.890 -9.211 -11.599 1.00 148.13 ? 595 ASN A CB 1 ATOM 4773 C CG . ASN A 1 595 ? -49.034 -9.052 -12.588 1.00 149.26 ? 595 ASN A CG 1 ATOM 4774 O OD1 . ASN A 1 595 ? -49.139 -9.808 -13.553 1.00 154.43 ? 595 ASN A OD1 1 ATOM 4775 N ND2 . ASN A 1 595 ? -49.900 -8.073 -12.347 1.00 148.74 ? 595 ASN A ND2 1 HETATM 4776 C C1 . NAG B 2 . ? -3.591 4.504 6.153 1.00 65.96 ? 701 NAG A C1 1 HETATM 4777 C C2 . NAG B 2 . ? -2.391 4.201 5.239 1.00 70.02 ? 701 NAG A C2 1 HETATM 4778 C C3 . NAG B 2 . ? -2.830 3.398 4.000 1.00 73.65 ? 701 NAG A C3 1 HETATM 4779 C C4 . NAG B 2 . ? -3.745 2.208 4.380 1.00 76.23 ? 701 NAG A C4 1 HETATM 4780 C C5 . NAG B 2 . ? -4.892 2.730 5.289 1.00 79.26 ? 701 NAG A C5 1 HETATM 4781 C C6 . NAG B 2 . ? -5.919 1.754 5.863 1.00 80.14 ? 701 NAG A C6 1 HETATM 4782 C C7 . NAG B 2 . ? -0.539 5.848 5.227 1.00 71.90 ? 701 NAG A C7 1 HETATM 4783 C C8 . NAG B 2 . ? -0.163 7.226 4.754 1.00 71.77 ? 701 NAG A C8 1 HETATM 4784 N N2 . NAG B 2 . ? -1.780 5.482 4.894 1.00 69.21 ? 701 NAG A N2 1 HETATM 4785 O O3 . NAG B 2 . ? -1.653 2.974 3.294 1.00 80.12 ? 701 NAG A O3 1 HETATM 4786 O O4 . NAG B 2 . ? -4.227 1.549 3.193 1.00 77.73 ? 701 NAG A O4 1 HETATM 4787 O O5 . NAG B 2 . ? -4.339 3.339 6.461 1.00 62.90 ? 701 NAG A O5 1 HETATM 4788 O O6 . NAG B 2 . ? -6.739 2.525 6.778 1.00 74.42 ? 701 NAG A O6 1 HETATM 4789 O O7 . NAG B 2 . ? 0.238 5.122 5.840 1.00 64.62 ? 701 NAG A O7 1 HETATM 4790 C C1 . NAG C 2 . ? -45.300 8.950 11.372 1.00 73.16 ? 702 NAG A C1 1 HETATM 4791 C C2 . NAG C 2 . ? -44.754 10.168 12.132 1.00 68.85 ? 702 NAG A C2 1 HETATM 4792 C C3 . NAG C 2 . ? -45.597 11.411 11.841 1.00 72.44 ? 702 NAG A C3 1 HETATM 4793 C C4 . NAG C 2 . ? -45.651 11.655 10.344 1.00 75.44 ? 702 NAG A C4 1 HETATM 4794 C C5 . NAG C 2 . ? -46.263 10.390 9.699 1.00 72.89 ? 702 NAG A C5 1 HETATM 4795 C C6 . NAG C 2 . ? -46.380 10.439 8.182 1.00 71.67 ? 702 NAG A C6 1 HETATM 4796 C C7 . NAG C 2 . ? -43.546 9.950 14.286 1.00 65.36 ? 702 NAG A C7 1 HETATM 4797 C C8 . NAG C 2 . ? -43.668 9.993 15.789 1.00 54.98 ? 702 NAG A C8 1 HETATM 4798 N N2 . NAG C 2 . ? -44.697 10.115 13.598 1.00 59.50 ? 702 NAG A N2 1 HETATM 4799 O O3 . NAG C 2 . ? -45.054 12.558 12.523 1.00 78.49 ? 702 NAG A O3 1 HETATM 4800 O O4 . NAG C 2 . ? -46.355 12.904 10.147 1.00 73.49 ? 702 NAG A O4 1 HETATM 4801 O O5 . NAG C 2 . ? -45.457 9.240 9.983 1.00 74.05 ? 702 NAG A O5 1 HETATM 4802 O O6 . NAG C 2 . ? -45.075 10.491 7.604 1.00 73.67 ? 702 NAG A O6 1 HETATM 4803 O O7 . NAG C 2 . ? -42.446 9.728 13.760 1.00 57.47 ? 702 NAG A O7 1 HETATM 4804 C C1 . NAG D 2 . ? -26.608 25.419 29.223 1.00 38.83 ? 703 NAG A C1 1 HETATM 4805 C C2 . NAG D 2 . ? -25.150 25.900 29.083 1.00 37.17 ? 703 NAG A C2 1 HETATM 4806 C C3 . NAG D 2 . ? -25.182 27.343 28.629 1.00 36.03 ? 703 NAG A C3 1 HETATM 4807 C C4 . NAG D 2 . ? -26.105 27.522 27.402 1.00 44.35 ? 703 NAG A C4 1 HETATM 4808 C C5 . NAG D 2 . ? -27.482 26.904 27.713 1.00 43.28 ? 703 NAG A C5 1 HETATM 4809 C C6 . NAG D 2 . ? -28.632 26.973 26.708 1.00 47.39 ? 703 NAG A C6 1 HETATM 4810 C C7 . NAG D 2 . ? -23.524 24.691 30.531 1.00 40.02 ? 703 NAG A C7 1 HETATM 4811 C C8 . NAG D 2 . ? -22.855 24.685 31.859 1.00 43.73 ? 703 NAG A C8 1 HETATM 4812 N N2 . NAG D 2 . ? -24.367 25.719 30.298 1.00 37.27 ? 703 NAG A N2 1 HETATM 4813 O O3 . NAG D 2 . ? -23.862 27.753 28.311 1.00 32.54 ? 703 NAG A O3 1 HETATM 4814 O O4 . NAG D 2 . ? -26.156 28.933 27.152 1.00 49.44 ? 703 NAG A O4 1 HETATM 4815 O O5 . NAG D 2 . ? -27.167 25.529 27.914 1.00 39.01 ? 703 NAG A O5 1 HETATM 4816 O O6 . NAG D 2 . ? -28.149 26.830 25.367 1.00 54.29 ? 703 NAG A O6 1 HETATM 4817 O O7 . NAG D 2 . ? -23.301 23.800 29.737 1.00 42.40 ? 703 NAG A O7 1 HETATM 4818 C C1 . NAG E 2 . ? -25.985 29.358 25.811 1.00 58.83 ? 704 NAG A C1 1 HETATM 4819 C C2 . NAG E 2 . ? -26.927 30.547 25.596 1.00 65.67 ? 704 NAG A C2 1 HETATM 4820 C C3 . NAG E 2 . ? -26.688 30.856 24.107 1.00 75.17 ? 704 NAG A C3 1 HETATM 4821 C C4 . NAG E 2 . ? -25.391 31.671 24.042 1.00 74.09 ? 704 NAG A C4 1 HETATM 4822 C C5 . NAG E 2 . ? -24.287 31.042 24.928 1.00 74.71 ? 704 NAG A C5 1 HETATM 4823 C C6 . NAG E 2 . ? -23.821 32.023 26.030 1.00 81.04 ? 704 NAG A C6 1 HETATM 4824 C C7 . NAG E 2 . ? -28.902 30.775 27.154 1.00 67.95 ? 704 NAG A C7 1 HETATM 4825 C C8 . NAG E 2 . ? -30.386 30.539 27.330 1.00 62.01 ? 704 NAG A C8 1 HETATM 4826 N N2 . NAG E 2 . ? -28.346 30.376 25.974 1.00 68.33 ? 704 NAG A N2 1 HETATM 4827 O O3 . NAG E 2 . ? -27.809 31.509 23.472 1.00 86.62 ? 704 NAG A O3 1 HETATM 4828 O O4 . NAG E 2 . ? -24.925 31.820 22.691 1.00 73.46 ? 704 NAG A O4 1 HETATM 4829 O O5 . NAG E 2 . ? -24.635 29.735 25.487 1.00 64.95 ? 704 NAG A O5 1 HETATM 4830 O O6 . NAG E 2 . ? -24.278 31.612 27.331 1.00 86.24 ? 704 NAG A O6 1 HETATM 4831 O O7 . NAG E 2 . ? -28.263 31.308 28.058 1.00 69.63 ? 704 NAG A O7 1 HETATM 4832 C C1 . NAG F 2 . ? -18.787 -25.755 11.879 1.00 56.28 ? 705 NAG A C1 1 HETATM 4833 C C2 . NAG F 2 . ? -17.953 -26.457 10.839 1.00 63.95 ? 705 NAG A C2 1 HETATM 4834 C C3 . NAG F 2 . ? -17.443 -27.736 11.488 1.00 68.03 ? 705 NAG A C3 1 HETATM 4835 C C4 . NAG F 2 . ? -16.716 -27.473 12.818 1.00 66.90 ? 705 NAG A C4 1 HETATM 4836 C C5 . NAG F 2 . ? -17.540 -26.582 13.764 1.00 67.45 ? 705 NAG A C5 1 HETATM 4837 C C6 . NAG F 2 . ? -16.807 -26.203 15.077 1.00 65.00 ? 705 NAG A C6 1 HETATM 4838 C C7 . NAG F 2 . ? -18.411 -26.529 8.411 1.00 73.09 ? 705 NAG A C7 1 HETATM 4839 C C8 . NAG F 2 . ? -19.426 -26.879 7.355 1.00 70.73 ? 705 NAG A C8 1 HETATM 4840 N N2 . NAG F 2 . ? -18.790 -26.743 9.669 1.00 70.97 ? 705 NAG A N2 1 HETATM 4841 O O3 . NAG F 2 . ? -16.593 -28.390 10.544 1.00 64.04 ? 705 NAG A O3 1 HETATM 4842 O O4 . NAG F 2 . ? -16.445 -28.737 13.437 1.00 70.16 ? 705 NAG A O4 1 HETATM 4843 O O5 . NAG F 2 . ? -17.975 -25.419 13.026 1.00 63.19 ? 705 NAG A O5 1 HETATM 4844 O O6 . NAG F 2 . ? -15.932 -25.071 14.935 1.00 63.69 ? 705 NAG A O6 1 HETATM 4845 O O7 . NAG F 2 . ? -17.305 -26.088 8.135 1.00 71.57 ? 705 NAG A O7 1 HETATM 4846 CA CA . CA G 3 . ? -26.815 -7.091 18.395 1.00 23.92 ? 706 CA A CA 1 HETATM 4847 C CHA . HEM H 4 . ? -18.069 0.057 28.583 1.00 19.94 ? 707 HEM A CHA 1 HETATM 4848 C CHB . HEM H 4 . ? -17.826 4.853 28.362 1.00 18.56 ? 707 HEM A CHB 1 HETATM 4849 C CHC . HEM H 4 . ? -15.683 4.521 23.977 1.00 19.34 ? 707 HEM A CHC 1 HETATM 4850 C CHD . HEM H 4 . ? -16.148 -0.210 24.133 1.00 17.22 ? 707 HEM A CHD 1 HETATM 4851 C C1A . HEM H 4 . ? -18.117 1.381 28.906 1.00 20.38 ? 707 HEM A C1A 1 HETATM 4852 C C2A . HEM H 4 . ? -18.712 1.868 30.120 1.00 21.27 ? 707 HEM A C2A 1 HETATM 4853 C C3A . HEM H 4 . ? -18.644 3.189 30.109 1.00 21.99 ? 707 HEM A C3A 1 HETATM 4854 C C4A . HEM H 4 . ? -18.005 3.545 28.838 1.00 21.33 ? 707 HEM A C4A 1 HETATM 4855 C CMA . HEM H 4 . ? -19.172 4.091 31.205 1.00 25.44 ? 707 HEM A CMA 1 HETATM 4856 C CAA . HEM H 4 . ? -19.256 0.983 31.208 1.00 22.02 ? 707 HEM A CAA 1 HETATM 4857 C CBA . HEM H 4 . ? -18.086 0.566 32.033 1.00 23.52 ? 707 HEM A CBA 1 HETATM 4858 C CGA . HEM H 4 . ? -18.394 -0.358 33.199 1.00 30.25 ? 707 HEM A CGA 1 HETATM 4859 O O1A . HEM H 4 . ? -19.194 -0.074 34.125 1.00 27.23 ? 707 HEM A O1A 1 HETATM 4860 O O2A . HEM H 4 . ? -17.759 -1.433 33.296 1.00 26.81 ? 707 HEM A O2A 1 HETATM 4861 C C1B . HEM H 4 . ? -17.274 5.203 27.073 1.00 20.06 ? 707 HEM A C1B 1 HETATM 4862 C C2B . HEM H 4 . ? -17.116 6.545 26.628 1.00 17.95 ? 707 HEM A C2B 1 HETATM 4863 C C3B . HEM H 4 . ? -16.521 6.479 25.394 1.00 21.14 ? 707 HEM A C3B 1 HETATM 4864 C C4B . HEM H 4 . ? -16.302 5.037 25.135 1.00 21.36 ? 707 HEM A C4B 1 HETATM 4865 C CMB . HEM H 4 . ? -17.606 7.836 27.392 1.00 18.97 ? 707 HEM A CMB 1 HETATM 4866 C CAB . HEM H 4 . ? -16.122 7.556 24.415 1.00 21.35 ? 707 HEM A CAB 1 HETATM 4867 C CBB . HEM H 4 . ? -16.209 8.868 24.645 1.00 25.64 ? 707 HEM A CBB 1 HETATM 4868 C C1C . HEM H 4 . ? -15.585 3.199 23.611 1.00 18.92 ? 707 HEM A C1C 1 HETATM 4869 C C2C . HEM H 4 . ? -15.026 2.740 22.381 1.00 20.35 ? 707 HEM A C2C 1 HETATM 4870 C C3C . HEM H 4 . ? -15.185 1.364 22.413 1.00 19.75 ? 707 HEM A C3C 1 HETATM 4871 C C4C . HEM H 4 . ? -15.836 1.034 23.668 1.00 17.44 ? 707 HEM A C4C 1 HETATM 4872 C CMC . HEM H 4 . ? -14.434 3.609 21.296 1.00 19.60 ? 707 HEM A CMC 1 HETATM 4873 C CAC . HEM H 4 . ? -14.806 0.323 21.428 1.00 18.52 ? 707 HEM A CAC 1 HETATM 4874 C CBC . HEM H 4 . ? -14.194 0.551 20.266 1.00 22.05 ? 707 HEM A CBC 1 HETATM 4875 C C1D . HEM H 4 . ? -16.763 -0.544 25.362 1.00 19.51 ? 707 HEM A C1D 1 HETATM 4876 C C2D . HEM H 4 . ? -17.243 -1.880 25.736 1.00 17.28 ? 707 HEM A C2D 1 HETATM 4877 C C3D . HEM H 4 . ? -17.777 -1.802 26.931 1.00 20.40 ? 707 HEM A C3D 1 HETATM 4878 C C4D . HEM H 4 . ? -17.610 -0.387 27.327 1.00 19.35 ? 707 HEM A C4D 1 HETATM 4879 C CMD . HEM H 4 . ? -17.160 -3.158 25.023 1.00 16.79 ? 707 HEM A CMD 1 HETATM 4880 C CAD . HEM H 4 . ? -18.421 -2.957 27.700 1.00 18.43 ? 707 HEM A CAD 1 HETATM 4881 C CBD . HEM H 4 . ? -19.942 -2.949 27.208 1.00 21.39 ? 707 HEM A CBD 1 HETATM 4882 C CGD . HEM H 4 . ? -20.646 -4.093 27.972 1.00 22.28 ? 707 HEM A CGD 1 HETATM 4883 O O1D . HEM H 4 . ? -20.661 -5.332 27.640 1.00 21.48 ? 707 HEM A O1D 1 HETATM 4884 O O2D . HEM H 4 . ? -21.212 -3.847 29.036 1.00 25.16 ? 707 HEM A O2D 1 HETATM 4885 N NA . HEM H 4 . ? -17.644 2.404 28.155 1.00 19.72 ? 707 HEM A NA 1 HETATM 4886 N NB . HEM H 4 . ? -16.702 4.323 26.221 1.00 17.97 ? 707 HEM A NB 1 HETATM 4887 N NC . HEM H 4 . ? -15.955 2.143 24.378 1.00 19.81 ? 707 HEM A NC 1 HETATM 4888 N ND . HEM H 4 . ? -16.918 0.321 26.430 1.00 20.66 ? 707 HEM A ND 1 HETATM 4889 FE FE . HEM H 4 . ? -16.771 2.205 26.302 1.00 21.34 ? 707 HEM A FE 1 HETATM 4890 S S . SCN I 5 . ? -1.191 1.763 9.703 1.00 32.70 ? 708 SCN A S 1 HETATM 4891 C C . SCN I 5 . ? -2.455 1.224 8.824 1.00 31.13 ? 708 SCN A C 1 HETATM 4892 N N . SCN I 5 . ? -3.378 0.883 8.233 1.00 45.70 ? 708 SCN A N 1 HETATM 4893 I I . IOD J 6 . ? -19.443 2.469 25.964 0.40 66.48 ? 709 IOD A I 1 HETATM 4894 I I . IOD K 6 . ? -18.914 -8.402 4.709 0.45 34.32 ? 710 IOD A I 1 HETATM 4895 I I . IOD L 6 . ? -17.640 -8.530 4.471 0.55 35.93 ? 711 IOD A I 1 HETATM 4896 I I . IOD M 6 . ? -14.835 -15.795 28.863 0.50 20.28 ? 712 IOD A I 1 HETATM 4897 I I . IOD N 6 . ? -0.986 6.128 43.124 0.40 30.36 ? 713 IOD A I 1 HETATM 4898 I I . IOD O 6 . ? -1.648 6.709 43.451 0.40 28.15 ? 714 IOD A I 1 HETATM 4899 I I . IOD P 6 . ? -14.740 -15.690 29.365 0.50 18.21 ? 715 IOD A I 1 HETATM 4900 I I . IOD Q 6 . ? -30.490 -24.381 10.271 0.35 62.30 ? 716 IOD A I 1 HETATM 4901 I I . IOD R 6 . ? -5.050 -16.880 50.264 0.40 54.72 ? 717 IOD A I 1 HETATM 4902 I I . IOD S 6 . ? -41.074 -8.151 19.301 0.40 63.87 ? 718 IOD A I 1 HETATM 4903 I I . IOD T 6 . ? -11.725 22.862 15.648 0.40 50.07 ? 719 IOD A I 1 HETATM 4904 I I . IOD U 6 . ? -29.398 -24.344 9.076 0.30 64.84 ? 720 IOD A I 1 HETATM 4905 I I . IOD V 6 . ? 9.765 -15.735 32.086 0.40 37.64 ? 721 IOD A I 1 HETATM 4906 I I . IOD W 6 . ? 9.842 -15.819 30.633 0.40 41.82 ? 722 IOD A I 1 HETATM 4907 I I . IOD X 6 . ? -17.890 19.876 33.503 0.50 48.13 ? 723 IOD A I 1 HETATM 4908 I I . IOD Y 6 . ? -29.209 11.899 36.292 0.50 36.82 ? 724 IOD A I 1 HETATM 4909 I I . IOD Z 6 . ? -28.450 12.016 37.347 0.50 38.84 ? 725 IOD A I 1 HETATM 4910 I I . IOD AA 6 . ? -6.280 13.353 39.634 0.40 44.44 ? 726 IOD A I 1 HETATM 4911 O O . OSM BA 7 . ? -21.428 19.917 4.564 1.00 27.43 ? 727 OSM A O 1 HETATM 4912 S S . OSM BA 7 . ? -20.248 20.639 4.038 1.00 26.17 ? 727 OSM A S 1 HETATM 4913 C C . OSM BA 7 . ? -19.247 19.549 3.189 1.00 16.79 ? 727 OSM A C 1 HETATM 4914 N N . OSM BA 7 . ? -18.017 20.216 2.809 1.00 19.07 ? 727 OSM A N 1 HETATM 4915 O O . OSM CA 7 . ? -40.566 13.135 23.568 1.00 36.38 ? 728 OSM A O 1 HETATM 4916 S S . OSM CA 7 . ? -40.070 13.928 22.421 1.00 36.74 ? 728 OSM A S 1 HETATM 4917 C C . OSM CA 7 . ? -40.418 13.104 20.967 1.00 23.47 ? 728 OSM A C 1 HETATM 4918 N N . OSM CA 7 . ? -39.874 13.846 19.847 1.00 20.04 ? 728 OSM A N 1 HETATM 4919 C C1 . GOL DA 8 . ? -41.418 -0.395 26.443 1.00 29.86 ? 729 GOL A C1 1 HETATM 4920 O O1 . GOL DA 8 . ? -41.884 0.416 27.527 1.00 31.97 ? 729 GOL A O1 1 HETATM 4921 C C2 . GOL DA 8 . ? -39.895 -0.362 26.401 1.00 27.72 ? 729 GOL A C2 1 HETATM 4922 O O2 . GOL DA 8 . ? -39.461 0.873 25.819 1.00 20.19 ? 729 GOL A O2 1 HETATM 4923 C C3 . GOL DA 8 . ? -39.345 -0.477 27.817 1.00 23.69 ? 729 GOL A C3 1 HETATM 4924 O O3 . GOL DA 8 . ? -38.807 0.786 28.225 1.00 19.61 ? 729 GOL A O3 1 HETATM 4925 O O . HOH EA 9 . ? -21.332 3.211 27.736 0.65 16.50 ? 801 HOH A O 1 HETATM 4926 O O . HOH EA 9 . ? -3.414 -13.679 53.125 1.00 37.56 ? 802 HOH A O 1 HETATM 4927 O O . HOH EA 9 . ? -36.217 12.216 30.562 1.00 41.32 ? 803 HOH A O 1 HETATM 4928 O O . HOH EA 9 . ? -15.023 -30.001 15.011 1.00 51.59 ? 804 HOH A O 1 HETATM 4929 O O . HOH EA 9 . ? -17.370 30.891 26.269 1.00 32.77 ? 805 HOH A O 1 HETATM 4930 O O . HOH EA 9 . ? -14.000 -25.860 16.289 1.00 46.87 ? 806 HOH A O 1 HETATM 4931 O O . HOH EA 9 . ? -10.952 19.069 30.805 1.00 36.33 ? 807 HOH A O 1 HETATM 4932 O O . HOH EA 9 . ? -34.536 6.004 18.116 1.00 32.42 ? 808 HOH A O 1 HETATM 4933 O O . HOH EA 9 . ? -27.623 -13.227 0.929 1.00 39.00 ? 809 HOH A O 1 HETATM 4934 O O . HOH EA 9 . ? 0.356 -4.645 44.700 1.00 46.51 ? 810 HOH A O 1 HETATM 4935 O O . HOH EA 9 . ? -21.165 -1.708 30.331 1.00 31.59 ? 811 HOH A O 1 HETATM 4936 O O . HOH EA 9 . ? -23.256 -17.100 8.798 1.00 26.78 ? 812 HOH A O 1 HETATM 4937 O O . HOH EA 9 . ? -27.319 -19.500 14.358 1.00 28.86 ? 813 HOH A O 1 HETATM 4938 O O . HOH EA 9 . ? -20.433 2.051 34.700 1.00 35.67 ? 814 HOH A O 1 HETATM 4939 O O . HOH EA 9 . ? -17.722 -17.352 49.533 1.00 40.72 ? 815 HOH A O 1 HETATM 4940 O O . HOH EA 9 . ? -19.625 10.440 31.555 1.00 36.70 ? 816 HOH A O 1 HETATM 4941 O O . HOH EA 9 . ? 5.231 -14.978 37.497 1.00 46.74 ? 817 HOH A O 1 HETATM 4942 O O . HOH EA 9 . ? -20.235 -16.240 46.647 1.00 35.47 ? 818 HOH A O 1 HETATM 4943 O O . HOH EA 9 . ? -25.460 2.989 22.390 1.00 27.67 ? 819 HOH A O 1 HETATM 4944 O O . HOH EA 9 . ? -32.045 22.796 11.829 1.00 57.07 ? 820 HOH A O 1 HETATM 4945 O O . HOH EA 9 . ? -12.198 14.232 50.237 1.00 40.79 ? 821 HOH A O 1 HETATM 4946 O O . HOH EA 9 . ? -5.993 -16.572 35.849 1.00 20.76 ? 822 HOH A O 1 HETATM 4947 O O . HOH EA 9 . ? 2.451 7.715 31.485 1.00 38.35 ? 823 HOH A O 1 HETATM 4948 O O . HOH EA 9 . ? -23.431 21.253 29.832 1.00 40.86 ? 824 HOH A O 1 HETATM 4949 O O . HOH EA 9 . ? -20.031 4.157 -1.503 1.00 38.94 ? 825 HOH A O 1 HETATM 4950 O O . HOH EA 9 . ? -1.487 -9.007 42.272 1.00 21.51 ? 826 HOH A O 1 HETATM 4951 O O . HOH EA 9 . ? -33.822 -9.579 -0.059 1.00 44.57 ? 827 HOH A O 1 HETATM 4952 O O . HOH EA 9 . ? -24.100 4.876 29.596 1.00 51.68 ? 828 HOH A O 1 HETATM 4953 O O . HOH EA 9 . ? -20.679 -15.238 31.922 1.00 22.46 ? 829 HOH A O 1 HETATM 4954 O O . HOH EA 9 . ? -21.385 -21.160 35.903 1.00 39.84 ? 830 HOH A O 1 HETATM 4955 O O . HOH EA 9 . ? -9.497 12.520 9.867 1.00 23.55 ? 831 HOH A O 1 HETATM 4956 O O . HOH EA 9 . ? -35.308 -9.132 -4.983 1.00 37.47 ? 832 HOH A O 1 HETATM 4957 O O . HOH EA 9 . ? 1.027 -20.447 26.261 1.00 33.74 ? 833 HOH A O 1 HETATM 4958 O O . HOH EA 9 . ? -34.541 -9.253 25.251 1.00 41.16 ? 834 HOH A O 1 HETATM 4959 O O . HOH EA 9 . ? -20.190 9.333 29.026 1.00 39.39 ? 835 HOH A O 1 HETATM 4960 O O . HOH EA 9 . ? -8.100 17.156 9.118 1.00 37.12 ? 836 HOH A O 1 HETATM 4961 O O . HOH EA 9 . ? -6.429 4.820 17.338 1.00 19.73 ? 837 HOH A O 1 HETATM 4962 O O . HOH EA 9 . ? 3.045 -6.870 19.934 1.00 31.53 ? 838 HOH A O 1 HETATM 4963 O O . HOH EA 9 . ? -36.350 -20.377 7.041 1.00 50.36 ? 839 HOH A O 1 HETATM 4964 O O . HOH EA 9 . ? 1.701 3.322 20.324 1.00 34.71 ? 840 HOH A O 1 HETATM 4965 O O . HOH EA 9 . ? -12.249 10.593 7.426 1.00 26.91 ? 841 HOH A O 1 HETATM 4966 O O . HOH EA 9 . ? -24.734 -21.214 15.070 1.00 31.00 ? 842 HOH A O 1 HETATM 4967 O O . HOH EA 9 . ? -6.171 13.879 23.053 1.00 23.71 ? 843 HOH A O 1 HETATM 4968 O O . HOH EA 9 . ? -6.079 0.938 19.640 1.00 21.00 ? 844 HOH A O 1 HETATM 4969 O O . HOH EA 9 . ? -14.012 -19.951 17.519 1.00 39.36 ? 845 HOH A O 1 HETATM 4970 O O . HOH EA 9 . ? -21.554 17.294 36.888 1.00 39.05 ? 846 HOH A O 1 HETATM 4971 O O . HOH EA 9 . ? -11.336 10.425 -0.351 1.00 45.61 ? 847 HOH A O 1 HETATM 4972 O O . HOH EA 9 . ? -15.513 -0.455 52.209 1.00 51.44 ? 848 HOH A O 1 HETATM 4973 O O . HOH EA 9 . ? -26.249 19.880 11.203 1.00 38.10 ? 849 HOH A O 1 HETATM 4974 O O . HOH EA 9 . ? 1.411 -17.010 39.911 1.00 32.23 ? 850 HOH A O 1 HETATM 4975 O O . HOH EA 9 . ? -36.549 10.214 3.107 1.00 52.72 ? 851 HOH A O 1 HETATM 4976 O O . HOH EA 9 . ? 4.906 3.121 31.513 1.00 32.02 ? 852 HOH A O 1 HETATM 4977 O O . HOH EA 9 . ? 0.256 9.439 18.212 1.00 49.71 ? 853 HOH A O 1 HETATM 4978 O O . HOH EA 9 . ? -21.081 16.460 30.388 1.00 30.30 ? 854 HOH A O 1 HETATM 4979 O O . HOH EA 9 . ? -12.504 -11.997 5.952 1.00 44.60 ? 855 HOH A O 1 HETATM 4980 O O . HOH EA 9 . ? -4.825 -1.679 22.667 1.00 27.65 ? 856 HOH A O 1 HETATM 4981 O O . HOH EA 9 . ? -47.660 13.834 8.060 1.00 51.58 ? 857 HOH A O 1 HETATM 4982 O O . HOH EA 9 . ? -13.936 16.279 16.598 1.00 25.77 ? 858 HOH A O 1 HETATM 4983 O O . HOH EA 9 . ? -11.221 -17.700 14.287 1.00 35.93 ? 859 HOH A O 1 HETATM 4984 O O . HOH EA 9 . ? -0.147 5.926 46.090 1.00 39.33 ? 860 HOH A O 1 HETATM 4985 O O . HOH EA 9 . ? -9.986 -1.643 43.128 1.00 25.46 ? 861 HOH A O 1 HETATM 4986 O O . HOH EA 9 . ? -2.983 14.572 8.862 1.00 56.59 ? 862 HOH A O 1 HETATM 4987 O O . HOH EA 9 . ? -17.466 -18.893 7.353 1.00 35.74 ? 863 HOH A O 1 HETATM 4988 O O . HOH EA 9 . ? 2.152 -7.888 13.178 1.00 42.09 ? 864 HOH A O 1 HETATM 4989 O O . HOH EA 9 . ? 10.539 -1.687 40.407 1.00 41.32 ? 865 HOH A O 1 HETATM 4990 O O . HOH EA 9 . ? -32.666 -8.972 -6.580 1.00 47.18 ? 866 HOH A O 1 HETATM 4991 O O . HOH EA 9 . ? -2.578 -3.925 22.624 1.00 18.79 ? 867 HOH A O 1 HETATM 4992 O O . HOH EA 9 . ? -30.580 -18.455 18.168 1.00 27.37 ? 868 HOH A O 1 HETATM 4993 O O . HOH EA 9 . ? -20.771 11.263 43.539 1.00 38.84 ? 869 HOH A O 1 HETATM 4994 O O . HOH EA 9 . ? 2.701 11.553 22.519 1.00 40.75 ? 870 HOH A O 1 HETATM 4995 O O . HOH EA 9 . ? -9.284 -4.402 25.876 1.00 25.70 ? 871 HOH A O 1 HETATM 4996 O O . HOH EA 9 . ? -11.951 -0.191 3.436 1.00 36.15 ? 872 HOH A O 1 HETATM 4997 O O . HOH EA 9 . ? -32.661 -6.549 17.680 1.00 32.10 ? 873 HOH A O 1 HETATM 4998 O O . HOH EA 9 . ? -25.692 -18.164 27.353 1.00 21.71 ? 874 HOH A O 1 HETATM 4999 O O . HOH EA 9 . ? -2.935 -1.129 45.607 1.00 35.98 ? 875 HOH A O 1 HETATM 5000 O O . HOH EA 9 . ? -32.120 10.751 5.387 1.00 44.66 ? 876 HOH A O 1 HETATM 5001 O O . HOH EA 9 . ? -20.259 27.749 22.655 1.00 41.15 ? 877 HOH A O 1 HETATM 5002 O O . HOH EA 9 . ? -32.202 -5.781 15.199 1.00 33.47 ? 878 HOH A O 1 HETATM 5003 O O . HOH EA 9 . ? -21.459 11.387 37.898 1.00 42.91 ? 879 HOH A O 1 HETATM 5004 O O . HOH EA 9 . ? -0.012 7.870 14.235 1.00 32.10 ? 880 HOH A O 1 HETATM 5005 O O . HOH EA 9 . ? -4.586 -1.626 8.066 1.00 45.90 ? 881 HOH A O 1 HETATM 5006 O O . HOH EA 9 . ? -3.062 -15.436 34.261 1.00 19.79 ? 882 HOH A O 1 HETATM 5007 O O . HOH EA 9 . ? -9.354 5.481 49.933 1.00 34.22 ? 883 HOH A O 1 HETATM 5008 O O . HOH EA 9 . ? -24.521 5.447 36.947 1.00 42.54 ? 884 HOH A O 1 HETATM 5009 O O . HOH EA 9 . ? -42.416 10.463 7.290 1.00 51.93 ? 885 HOH A O 1 HETATM 5010 O O . HOH EA 9 . ? -26.647 -12.089 23.493 1.00 20.17 ? 886 HOH A O 1 HETATM 5011 O O . HOH EA 9 . ? -29.296 -7.974 7.813 1.00 31.37 ? 887 HOH A O 1 HETATM 5012 O O . HOH EA 9 . ? -12.278 -4.717 48.548 1.00 27.88 ? 888 HOH A O 1 HETATM 5013 O O . HOH EA 9 . ? 2.471 3.634 31.101 1.00 26.83 ? 889 HOH A O 1 HETATM 5014 O O . HOH EA 9 . ? -22.085 20.465 18.861 1.00 36.59 ? 890 HOH A O 1 HETATM 5015 O O . HOH EA 9 . ? -37.535 -0.887 16.691 1.00 38.09 ? 891 HOH A O 1 HETATM 5016 O O . HOH EA 9 . ? -19.147 -6.209 29.965 1.00 20.73 ? 892 HOH A O 1 HETATM 5017 O O . HOH EA 9 . ? -21.000 0.614 38.598 1.00 34.59 ? 893 HOH A O 1 HETATM 5018 O O . HOH EA 9 . ? -28.280 17.561 27.247 1.00 45.67 ? 894 HOH A O 1 HETATM 5019 O O . HOH EA 9 . ? -7.334 16.352 12.099 1.00 47.63 ? 895 HOH A O 1 HETATM 5020 O O . HOH EA 9 . ? -5.919 -6.419 7.602 1.00 36.70 ? 896 HOH A O 1 HETATM 5021 O O . HOH EA 9 . ? -9.379 -9.472 36.366 1.00 21.83 ? 897 HOH A O 1 HETATM 5022 O O . HOH EA 9 . ? -12.374 1.624 17.294 1.00 17.89 ? 898 HOH A O 1 HETATM 5023 O O . HOH EA 9 . ? -25.486 -14.580 25.769 1.00 24.72 ? 899 HOH A O 1 HETATM 5024 O O . HOH EA 9 . ? -31.072 12.660 17.670 1.00 31.81 ? 900 HOH A O 1 HETATM 5025 O O . HOH EA 9 . ? -27.160 -25.523 18.176 1.00 47.13 ? 901 HOH A O 1 HETATM 5026 O O . HOH EA 9 . ? -18.570 -24.637 18.122 1.00 44.74 ? 902 HOH A O 1 HETATM 5027 O O . HOH EA 9 . ? -16.180 -15.413 0.898 1.00 47.50 ? 903 HOH A O 1 HETATM 5028 O O . HOH EA 9 . ? -27.699 -3.305 20.873 1.00 20.81 ? 904 HOH A O 1 HETATM 5029 O O . HOH EA 9 . ? -3.838 14.930 3.619 1.00 50.13 ? 905 HOH A O 1 HETATM 5030 O O . HOH EA 9 . ? -30.059 19.868 29.333 1.00 40.59 ? 906 HOH A O 1 HETATM 5031 O O . HOH EA 9 . ? -2.536 -13.358 17.987 1.00 34.42 ? 907 HOH A O 1 HETATM 5032 O O . HOH EA 9 . ? -8.886 -11.639 46.469 1.00 31.06 ? 908 HOH A O 1 HETATM 5033 O O . HOH EA 9 . ? -35.687 -7.189 9.471 1.00 46.67 ? 909 HOH A O 1 HETATM 5034 O O . HOH EA 9 . ? -14.012 -16.353 32.349 1.00 20.99 ? 910 HOH A O 1 HETATM 5035 O O . HOH EA 9 . ? -8.425 16.144 43.336 1.00 43.93 ? 911 HOH A O 1 HETATM 5036 O O . HOH EA 9 . ? -20.934 -9.396 45.986 1.00 32.49 ? 912 HOH A O 1 HETATM 5037 O O . HOH EA 9 . ? -14.538 -21.362 47.961 1.00 48.65 ? 913 HOH A O 1 HETATM 5038 O O . HOH EA 9 . ? -6.437 -16.838 39.391 1.00 30.53 ? 914 HOH A O 1 HETATM 5039 O O . HOH EA 9 . ? -4.540 -10.438 7.662 1.00 38.17 ? 915 HOH A O 1 HETATM 5040 O O . HOH EA 9 . ? -10.127 -20.226 34.254 1.00 25.32 ? 916 HOH A O 1 HETATM 5041 O O . HOH EA 9 . ? -23.389 -12.983 24.912 1.00 20.02 ? 917 HOH A O 1 HETATM 5042 O O . HOH EA 9 . ? -4.836 10.182 32.100 1.00 25.89 ? 918 HOH A O 1 HETATM 5043 O O . HOH EA 9 . ? -36.045 10.540 8.424 1.00 42.23 ? 919 HOH A O 1 HETATM 5044 O O . HOH EA 9 . ? -8.106 7.879 25.752 1.00 20.11 ? 920 HOH A O 1 HETATM 5045 O O . HOH EA 9 . ? -2.608 -16.304 18.505 1.00 45.92 ? 921 HOH A O 1 HETATM 5046 O O . HOH EA 9 . ? -8.030 15.891 30.707 1.00 38.76 ? 922 HOH A O 1 HETATM 5047 O O . HOH EA 9 . ? -6.919 13.872 9.690 1.00 32.15 ? 923 HOH A O 1 HETATM 5048 O O . HOH EA 9 . ? -30.290 4.682 16.870 1.00 29.25 ? 924 HOH A O 1 HETATM 5049 O O . HOH EA 9 . ? -0.324 7.936 21.135 1.00 31.28 ? 925 HOH A O 1 HETATM 5050 O O . HOH EA 9 . ? -29.609 -23.312 12.823 1.00 41.59 ? 926 HOH A O 1 HETATM 5051 O O . HOH EA 9 . ? -6.332 -9.585 39.118 1.00 18.52 ? 927 HOH A O 1 HETATM 5052 O O . HOH EA 9 . ? 0.270 6.666 34.433 1.00 32.52 ? 928 HOH A O 1 HETATM 5053 O O . HOH EA 9 . ? -5.845 -20.617 33.345 1.00 34.24 ? 929 HOH A O 1 HETATM 5054 O O . HOH EA 9 . ? -29.181 -1.343 25.625 1.00 33.93 ? 930 HOH A O 1 HETATM 5055 O O . HOH EA 9 . ? -7.126 -17.207 46.498 1.00 44.82 ? 931 HOH A O 1 HETATM 5056 O O . HOH EA 9 . ? -9.033 14.500 17.626 1.00 24.78 ? 932 HOH A O 1 HETATM 5057 O O . HOH EA 9 . ? -30.071 7.554 25.318 1.00 46.08 ? 933 HOH A O 1 HETATM 5058 O O . HOH EA 9 . ? -35.381 -19.437 22.616 1.00 43.15 ? 934 HOH A O 1 HETATM 5059 O O . HOH EA 9 . ? -23.107 20.847 16.272 1.00 43.07 ? 935 HOH A O 1 HETATM 5060 O O . HOH EA 9 . ? -10.558 -5.134 43.378 1.00 24.24 ? 936 HOH A O 1 HETATM 5061 O O . HOH EA 9 . ? -10.306 22.596 13.371 1.00 37.70 ? 937 HOH A O 1 HETATM 5062 O O . HOH EA 9 . ? -12.338 -12.055 40.034 1.00 17.30 ? 938 HOH A O 1 HETATM 5063 O O . HOH EA 9 . ? -7.393 -22.238 22.794 1.00 31.80 ? 939 HOH A O 1 HETATM 5064 O O . HOH EA 9 . ? -14.151 -1.957 47.980 1.00 30.46 ? 940 HOH A O 1 HETATM 5065 O O . HOH EA 9 . ? -9.895 14.849 39.778 1.00 34.30 ? 941 HOH A O 1 HETATM 5066 O O . HOH EA 9 . ? -21.324 -9.660 38.729 1.00 20.26 ? 942 HOH A O 1 HETATM 5067 O O . HOH EA 9 . ? -8.326 15.875 20.226 1.00 31.89 ? 943 HOH A O 1 HETATM 5068 O O . HOH EA 9 . ? -30.183 -3.270 22.006 1.00 24.87 ? 944 HOH A O 1 HETATM 5069 O O . HOH EA 9 . ? -23.856 30.176 29.675 1.00 44.50 ? 945 HOH A O 1 HETATM 5070 O O . HOH EA 9 . ? 7.038 -10.035 42.301 1.00 45.93 ? 946 HOH A O 1 HETATM 5071 O O . HOH EA 9 . ? -31.072 -5.718 11.366 1.00 30.77 ? 947 HOH A O 1 HETATM 5072 O O . HOH EA 9 . ? 10.024 0.446 24.882 1.00 42.92 ? 948 HOH A O 1 HETATM 5073 O O . HOH EA 9 . ? -35.684 -15.176 13.076 1.00 41.69 ? 949 HOH A O 1 HETATM 5074 O O . HOH EA 9 . ? 3.092 -12.333 49.046 1.00 38.04 ? 950 HOH A O 1 HETATM 5075 O O . HOH EA 9 . ? -39.101 -10.222 17.575 1.00 45.42 ? 951 HOH A O 1 HETATM 5076 O O . HOH EA 9 . ? -26.708 5.759 2.514 1.00 37.17 ? 952 HOH A O 1 HETATM 5077 O O . HOH EA 9 . ? -16.639 15.744 16.090 1.00 25.52 ? 953 HOH A O 1 HETATM 5078 O O . HOH EA 9 . ? -20.257 21.697 26.306 1.00 41.55 ? 954 HOH A O 1 HETATM 5079 O O . HOH EA 9 . ? 6.957 -0.929 22.704 1.00 31.82 ? 955 HOH A O 1 HETATM 5080 O O . HOH EA 9 . ? -25.033 12.809 24.001 1.00 33.52 ? 956 HOH A O 1 HETATM 5081 O O . HOH EA 9 . ? -37.331 5.853 17.308 1.00 39.11 ? 957 HOH A O 1 HETATM 5082 O O . HOH EA 9 . ? -11.629 -7.429 53.285 1.00 50.30 ? 958 HOH A O 1 HETATM 5083 O O . HOH EA 9 . ? -20.592 -25.239 44.395 1.00 42.03 ? 959 HOH A O 1 HETATM 5084 O O . HOH EA 9 . ? -23.912 -11.489 13.498 1.00 26.41 ? 960 HOH A O 1 HETATM 5085 O O . HOH EA 9 . ? -2.984 -7.476 22.775 1.00 17.02 ? 961 HOH A O 1 HETATM 5086 O O . HOH EA 9 . ? -24.682 -25.093 9.197 1.00 37.01 ? 962 HOH A O 1 HETATM 5087 O O . HOH EA 9 . ? -27.249 -15.795 24.160 1.00 21.72 ? 963 HOH A O 1 HETATM 5088 O O . HOH EA 9 . ? -10.522 -11.471 37.956 1.00 17.35 ? 964 HOH A O 1 HETATM 5089 O O . HOH EA 9 . ? -15.832 5.052 3.593 1.00 38.33 ? 965 HOH A O 1 HETATM 5090 O O . HOH EA 9 . ? -22.079 -18.754 30.464 1.00 35.55 ? 966 HOH A O 1 HETATM 5091 O O . HOH EA 9 . ? 10.771 -11.134 37.911 1.00 41.94 ? 967 HOH A O 1 HETATM 5092 O O . HOH EA 9 . ? -11.618 15.447 18.100 1.00 20.16 ? 968 HOH A O 1 HETATM 5093 O O . HOH EA 9 . ? -6.122 -20.250 36.028 1.00 30.96 ? 969 HOH A O 1 HETATM 5094 O O . HOH EA 9 . ? 3.103 -17.920 20.167 1.00 46.86 ? 970 HOH A O 1 HETATM 5095 O O . HOH EA 9 . ? -31.481 5.166 24.437 1.00 37.21 ? 971 HOH A O 1 HETATM 5096 O O . HOH EA 9 . ? -17.798 -11.342 51.839 1.00 35.93 ? 972 HOH A O 1 HETATM 5097 O O . HOH EA 9 . ? -16.086 9.382 50.981 1.00 44.89 ? 973 HOH A O 1 HETATM 5098 O O . HOH EA 9 . ? -3.351 -23.131 23.846 1.00 51.68 ? 974 HOH A O 1 HETATM 5099 O O . HOH EA 9 . ? -17.023 3.089 5.043 1.00 40.92 ? 975 HOH A O 1 HETATM 5100 O O . HOH EA 9 . ? -31.578 -10.724 16.324 1.00 32.86 ? 976 HOH A O 1 HETATM 5101 O O . HOH EA 9 . ? -11.971 -17.651 49.426 1.00 41.58 ? 977 HOH A O 1 HETATM 5102 O O . HOH EA 9 . ? -4.792 12.989 29.703 1.00 21.37 ? 978 HOH A O 1 HETATM 5103 O O . HOH EA 9 . ? -3.294 15.940 20.199 1.00 41.22 ? 979 HOH A O 1 HETATM 5104 O O . HOH EA 9 . ? -18.884 -17.805 22.237 1.00 22.01 ? 980 HOH A O 1 HETATM 5105 O O . HOH EA 9 . ? -4.638 3.136 18.569 1.00 21.27 ? 981 HOH A O 1 HETATM 5106 O O . HOH EA 9 . ? -9.245 1.138 43.362 1.00 26.39 ? 982 HOH A O 1 HETATM 5107 O O . HOH EA 9 . ? -8.275 -10.466 34.341 1.00 17.30 ? 983 HOH A O 1 HETATM 5108 O O . HOH EA 9 . ? -26.153 -0.878 46.738 1.00 39.74 ? 984 HOH A O 1 HETATM 5109 O O . HOH EA 9 . ? -32.642 4.027 17.677 1.00 32.42 ? 985 HOH A O 1 HETATM 5110 O O . HOH EA 9 . ? -6.102 -9.637 46.806 1.00 35.79 ? 986 HOH A O 1 HETATM 5111 O O . HOH EA 9 . ? -28.590 -20.906 6.254 1.00 36.49 ? 987 HOH A O 1 HETATM 5112 O O . HOH EA 9 . ? -15.505 -21.203 38.288 1.00 45.47 ? 988 HOH A O 1 HETATM 5113 O O . HOH EA 9 . ? -30.192 -26.766 22.417 1.00 56.80 ? 989 HOH A O 1 HETATM 5114 O O . HOH EA 9 . ? -25.510 27.647 19.859 1.00 51.67 ? 990 HOH A O 1 HETATM 5115 O O . HOH EA 9 . ? -8.243 -5.761 48.260 1.00 46.01 ? 991 HOH A O 1 HETATM 5116 O O . HOH EA 9 . ? -4.324 -15.630 37.808 1.00 27.32 ? 992 HOH A O 1 HETATM 5117 O O . HOH EA 9 . ? -16.940 -6.910 52.236 1.00 40.07 ? 993 HOH A O 1 HETATM 5118 O O . HOH EA 9 . ? 3.340 10.150 29.403 1.00 30.16 ? 994 HOH A O 1 HETATM 5119 O O . HOH EA 9 . ? -15.635 -12.875 3.594 1.00 50.44 ? 995 HOH A O 1 HETATM 5120 O O . HOH EA 9 . ? -10.996 18.183 18.305 1.00 22.24 ? 996 HOH A O 1 HETATM 5121 O O . HOH EA 9 . ? -27.575 -9.105 52.363 1.00 59.23 ? 997 HOH A O 1 HETATM 5122 O O . HOH EA 9 . ? -36.941 15.039 14.054 1.00 51.75 ? 998 HOH A O 1 HETATM 5123 O O . HOH EA 9 . ? 2.406 -0.415 19.388 1.00 34.79 ? 999 HOH A O 1 HETATM 5124 O O . HOH EA 9 . ? -39.442 -16.564 14.921 1.00 43.89 ? 1000 HOH A O 1 HETATM 5125 O O . HOH EA 9 . ? -33.827 -14.490 14.766 1.00 33.15 ? 1001 HOH A O 1 HETATM 5126 O O . HOH EA 9 . ? -6.187 16.107 28.907 1.00 25.77 ? 1002 HOH A O 1 HETATM 5127 O O . HOH EA 9 . ? -7.031 -4.408 46.278 1.00 36.53 ? 1003 HOH A O 1 HETATM 5128 O O . HOH EA 9 . ? -20.707 6.805 30.125 1.00 38.32 ? 1004 HOH A O 1 HETATM 5129 O O . HOH EA 9 . ? -37.479 -17.508 13.152 1.00 39.04 ? 1005 HOH A O 1 HETATM 5130 O O . HOH EA 9 . ? -6.148 18.746 24.848 1.00 36.48 ? 1006 HOH A O 1 HETATM 5131 O O . HOH EA 9 . ? 2.246 12.997 29.472 1.00 26.05 ? 1007 HOH A O 1 HETATM 5132 O O . HOH EA 9 . ? 3.288 -8.411 22.394 1.00 48.25 ? 1008 HOH A O 1 HETATM 5133 O O . HOH EA 9 . ? -16.092 9.708 43.857 1.00 30.70 ? 1009 HOH A O 1 HETATM 5134 O O . HOH EA 9 . ? -11.403 -1.016 45.673 1.00 27.10 ? 1010 HOH A O 1 HETATM 5135 O O . HOH EA 9 . ? -25.256 -16.443 37.697 1.00 30.35 ? 1011 HOH A O 1 HETATM 5136 O O . HOH EA 9 . ? -17.789 17.570 38.864 1.00 41.70 ? 1012 HOH A O 1 HETATM 5137 O O . HOH EA 9 . ? -17.652 -20.285 34.676 1.00 25.36 ? 1013 HOH A O 1 HETATM 5138 O O . HOH EA 9 . ? -16.189 9.179 48.064 1.00 50.14 ? 1014 HOH A O 1 HETATM 5139 O O . HOH EA 9 . ? 15.629 -6.519 32.705 1.00 56.02 ? 1015 HOH A O 1 HETATM 5140 O O . HOH EA 9 . ? -33.085 -3.424 24.164 1.00 30.00 ? 1016 HOH A O 1 HETATM 5141 O O . HOH EA 9 . ? -6.121 0.548 22.225 1.00 22.35 ? 1017 HOH A O 1 HETATM 5142 O O . HOH EA 9 . ? -10.532 -0.275 5.705 1.00 36.97 ? 1018 HOH A O 1 HETATM 5143 O O . HOH EA 9 . ? -13.893 -19.371 40.348 1.00 39.70 ? 1019 HOH A O 1 HETATM 5144 O O . HOH EA 9 . ? -7.263 15.208 35.254 1.00 33.81 ? 1020 HOH A O 1 HETATM 5145 O O . HOH EA 9 . ? -17.554 1.553 -3.660 1.00 55.35 ? 1021 HOH A O 1 HETATM 5146 O O . HOH EA 9 . ? -9.118 19.028 7.390 1.00 33.93 ? 1022 HOH A O 1 HETATM 5147 O O . HOH EA 9 . ? 4.452 9.277 23.959 1.00 36.14 ? 1023 HOH A O 1 HETATM 5148 O O . HOH EA 9 . ? -21.494 -8.668 51.230 1.00 41.94 ? 1024 HOH A O 1 HETATM 5149 O O . HOH EA 9 . ? -43.339 -9.079 11.888 1.00 46.15 ? 1025 HOH A O 1 HETATM 5150 O O . HOH EA 9 . ? -9.973 8.754 1.649 1.00 41.13 ? 1026 HOH A O 1 HETATM 5151 O O . HOH EA 9 . ? 5.691 16.258 27.860 1.00 47.85 ? 1027 HOH A O 1 HETATM 5152 O O . HOH EA 9 . ? -20.782 6.616 32.553 1.00 40.84 ? 1028 HOH A O 1 HETATM 5153 O O . HOH EA 9 . ? -31.710 4.869 -4.048 1.00 46.35 ? 1029 HOH A O 1 HETATM 5154 O O . HOH EA 9 . ? -6.832 3.032 50.365 1.00 47.82 ? 1030 HOH A O 1 HETATM 5155 O O . HOH EA 9 . ? 4.128 -2.183 17.023 1.00 34.46 ? 1031 HOH A O 1 HETATM 5156 O O . HOH EA 9 . ? -17.954 33.191 23.072 1.00 41.95 ? 1032 HOH A O 1 HETATM 5157 O O . HOH EA 9 . ? -7.266 15.483 14.943 1.00 20.74 ? 1033 HOH A O 1 HETATM 5158 O O . HOH EA 9 . ? -34.326 12.639 8.035 1.00 43.42 ? 1034 HOH A O 1 HETATM 5159 O O . HOH EA 9 . ? -12.599 26.550 18.609 1.00 45.20 ? 1035 HOH A O 1 HETATM 5160 O O . HOH EA 9 . ? 3.176 2.696 22.428 1.00 24.19 ? 1036 HOH A O 1 HETATM 5161 O O . HOH EA 9 . ? -0.391 6.138 30.241 1.00 27.45 ? 1037 HOH A O 1 HETATM 5162 O O . HOH EA 9 . ? -28.334 7.409 27.391 1.00 38.28 ? 1038 HOH A O 1 HETATM 5163 O O . HOH EA 9 . ? -2.847 3.193 49.475 1.00 34.59 ? 1039 HOH A O 1 HETATM 5164 O O . HOH EA 9 . ? -15.018 -18.902 6.719 1.00 38.02 ? 1040 HOH A O 1 HETATM 5165 O O . HOH EA 9 . ? 4.084 0.663 42.559 1.00 41.50 ? 1041 HOH A O 1 HETATM 5166 O O . HOH EA 9 . ? -19.604 -23.196 37.387 1.00 48.91 ? 1042 HOH A O 1 HETATM 5167 O O . HOH EA 9 . ? 3.369 -11.472 21.933 1.00 23.06 ? 1043 HOH A O 1 HETATM 5168 O O . HOH EA 9 . ? -17.222 7.532 52.669 1.00 54.20 ? 1044 HOH A O 1 HETATM 5169 O O . HOH EA 9 . ? 5.401 -19.387 28.782 1.00 40.07 ? 1045 HOH A O 1 HETATM 5170 O O . HOH EA 9 . ? -31.896 -8.163 10.802 1.00 37.99 ? 1046 HOH A O 1 HETATM 5171 O O . HOH EA 9 . ? 4.284 -16.028 21.967 1.00 36.12 ? 1047 HOH A O 1 HETATM 5172 O O . HOH EA 9 . ? -36.188 -23.379 16.375 1.00 56.72 ? 1048 HOH A O 1 HETATM 5173 O O . HOH EA 9 . ? -33.933 -9.438 9.591 1.00 43.57 ? 1049 HOH A O 1 HETATM 5174 O O . HOH EA 9 . ? -27.969 -4.822 49.458 1.00 56.83 ? 1050 HOH A O 1 HETATM 5175 O O . HOH EA 9 . ? -10.300 -19.277 43.693 1.00 55.10 ? 1051 HOH A O 1 HETATM 5176 O O . HOH EA 9 . ? -0.535 -23.122 30.401 1.00 47.93 ? 1052 HOH A O 1 HETATM 5177 O O . HOH EA 9 . ? -31.272 11.332 0.918 1.00 49.35 ? 1053 HOH A O 1 HETATM 5178 O O . HOH EA 9 . ? -35.339 25.257 33.027 1.00 53.69 ? 1054 HOH A O 1 HETATM 5179 O O . HOH EA 9 . ? -4.563 10.650 39.260 1.00 32.58 ? 1055 HOH A O 1 HETATM 5180 O O . HOH EA 9 . ? -27.862 -7.884 10.389 1.00 26.91 ? 1056 HOH A O 1 HETATM 5181 O O . HOH EA 9 . ? -1.220 14.464 17.830 1.00 39.25 ? 1057 HOH A O 1 HETATM 5182 O O . HOH EA 9 . ? 6.119 2.629 23.473 1.00 47.57 ? 1058 HOH A O 1 HETATM 5183 O O . HOH EA 9 . ? -20.517 23.111 28.800 1.00 51.65 ? 1059 HOH A O 1 HETATM 5184 O O . HOH EA 9 . ? -29.493 22.194 13.026 1.00 55.23 ? 1060 HOH A O 1 HETATM 5185 O O . HOH EA 9 . ? -18.268 -21.339 25.513 1.00 49.32 ? 1061 HOH A O 1 HETATM 5186 O O . HOH EA 9 . ? -21.596 0.021 28.440 1.00 37.96 ? 1062 HOH A O 1 HETATM 5187 O O . HOH EA 9 . ? -28.824 -9.466 38.379 1.00 32.27 ? 1063 HOH A O 1 HETATM 5188 O O . HOH EA 9 . ? -3.248 11.989 34.793 1.00 43.43 ? 1064 HOH A O 1 HETATM 5189 O O . HOH EA 9 . ? -34.059 10.304 6.907 1.00 44.92 ? 1065 HOH A O 1 HETATM 5190 O O . HOH EA 9 . ? -21.491 -4.829 54.201 1.00 57.46 ? 1066 HOH A O 1 HETATM 5191 O O . HOH EA 9 . ? -22.748 -18.069 42.285 1.00 47.29 ? 1067 HOH A O 1 HETATM 5192 O O . HOH EA 9 . ? -22.510 2.423 29.264 0.35 24.53 ? 1068 HOH A O 1 HETATM 5193 O O . HOH EA 9 . ? -17.756 -21.742 17.968 1.00 30.14 ? 1069 HOH A O 1 HETATM 5194 O O . HOH EA 9 . ? -7.785 19.446 34.969 1.00 29.40 ? 1070 HOH A O 1 HETATM 5195 O O . HOH EA 9 . ? -20.780 -20.627 28.555 1.00 28.96 ? 1071 HOH A O 1 HETATM 5196 O O . HOH EA 9 . ? -8.871 19.499 17.183 1.00 47.53 ? 1072 HOH A O 1 HETATM 5197 O O . HOH EA 9 . ? -28.521 -17.967 30.407 1.00 29.09 ? 1073 HOH A O 1 HETATM 5198 O O . HOH EA 9 . ? -31.295 -12.893 14.782 1.00 37.99 ? 1074 HOH A O 1 HETATM 5199 O O . HOH EA 9 . ? -31.764 -23.083 23.235 1.00 34.90 ? 1075 HOH A O 1 HETATM 5200 O O . HOH EA 9 . ? -1.870 15.295 14.315 1.00 39.90 ? 1076 HOH A O 1 HETATM 5201 O O . HOH EA 9 . ? -19.871 -4.513 32.322 1.00 40.04 ? 1077 HOH A O 1 HETATM 5202 O O . HOH EA 9 . ? -15.653 -22.501 30.176 1.00 32.68 ? 1078 HOH A O 1 HETATM 5203 O O . HOH EA 9 . ? -2.203 15.721 45.214 1.00 32.73 ? 1079 HOH A O 1 HETATM 5204 O O . HOH EA 9 . ? -10.560 -4.496 3.100 1.00 50.43 ? 1080 HOH A O 1 HETATM 5205 O O . HOH EA 9 . ? -15.884 -21.455 15.921 1.00 36.10 ? 1081 HOH A O 1 HETATM 5206 O O . HOH EA 9 . ? -35.240 -10.814 -1.831 1.00 53.52 ? 1082 HOH A O 1 HETATM 5207 O O . HOH EA 9 . ? -12.451 15.769 38.401 1.00 37.49 ? 1083 HOH A O 1 HETATM 5208 O O . HOH EA 9 . ? -32.234 -0.617 25.530 1.00 42.64 ? 1084 HOH A O 1 HETATM 5209 O O . HOH EA 9 . ? -23.237 17.758 -6.988 1.00 44.24 ? 1085 HOH A O 1 HETATM 5210 O O . HOH EA 9 . ? 3.962 0.789 39.718 1.00 42.15 ? 1086 HOH A O 1 HETATM 5211 O O . HOH EA 9 . ? -8.350 23.283 5.188 1.00 50.10 ? 1087 HOH A O 1 HETATM 5212 O O . HOH EA 9 . ? -5.530 -18.134 43.796 1.00 15.01 ? 1088 HOH A O 1 HETATM 5213 O O . HOH EA 9 . ? -42.070 12.351 11.113 1.00 52.05 ? 1089 HOH A O 1 HETATM 5214 O O . HOH EA 9 . ? -10.064 -22.673 21.960 1.00 39.65 ? 1090 HOH A O 1 HETATM 5215 O O . HOH EA 9 . ? -24.119 -0.193 33.927 1.00 41.65 ? 1091 HOH A O 1 HETATM 5216 O O . HOH EA 9 . ? -24.655 12.136 -4.731 1.00 39.41 ? 1092 HOH A O 1 HETATM 5217 O O . HOH EA 9 . ? -26.368 3.141 1.909 1.00 47.64 ? 1093 HOH A O 1 HETATM 5218 O O . HOH EA 9 . ? 13.158 -10.765 36.107 1.00 50.31 ? 1094 HOH A O 1 HETATM 5219 O O . HOH EA 9 . ? -12.757 3.227 5.532 1.00 31.24 ? 1095 HOH A O 1 HETATM 5220 O O . HOH EA 9 . ? -52.256 7.316 9.091 1.00 42.64 ? 1096 HOH A O 1 HETATM 5221 O O . HOH EA 9 . ? -0.675 11.422 34.835 1.00 58.58 ? 1097 HOH A O 1 HETATM 5222 O O . HOH EA 9 . ? -2.436 -18.065 35.196 1.00 29.74 ? 1098 HOH A O 1 HETATM 5223 O O . HOH EA 9 . ? -33.372 -8.230 -9.520 1.00 49.83 ? 1099 HOH A O 1 HETATM 5224 O O . HOH EA 9 . ? -16.676 1.865 0.206 1.00 48.32 ? 1100 HOH A O 1 HETATM 5225 O O . HOH EA 9 . ? -15.209 2.612 2.531 1.00 43.67 ? 1101 HOH A O 1 HETATM 5226 O O . HOH EA 9 . ? 1.961 8.197 38.943 1.00 55.83 ? 1102 HOH A O 1 HETATM 5227 O O . HOH EA 9 . ? 3.722 -0.058 21.712 1.00 42.81 ? 1103 HOH A O 1 HETATM 5228 O O . HOH EA 9 . ? -11.654 -4.759 51.393 1.00 46.02 ? 1104 HOH A O 1 HETATM 5229 O O . HOH EA 9 . ? 3.792 -15.937 40.871 1.00 37.52 ? 1105 HOH A O 1 HETATM 5230 O O . HOH EA 9 . ? -9.431 -3.997 45.647 1.00 34.97 ? 1106 HOH A O 1 HETATM 5231 O O . HOH EA 9 . ? 8.518 3.834 26.033 1.00 47.11 ? 1107 HOH A O 1 HETATM 5232 O O . HOH EA 9 . ? 0.818 -13.342 17.404 1.00 53.05 ? 1108 HOH A O 1 HETATM 5233 O O . HOH EA 9 . ? -27.705 -18.736 25.671 1.00 26.79 ? 1109 HOH A O 1 HETATM 5234 O O . HOH EA 9 . ? 3.333 -21.131 27.568 1.00 44.65 ? 1110 HOH A O 1 HETATM 5235 O O . HOH EA 9 . ? -7.172 -7.890 5.709 1.00 49.82 ? 1111 HOH A O 1 HETATM 5236 O O . HOH EA 9 . ? -10.937 -20.833 46.328 1.00 53.52 ? 1112 HOH A O 1 HETATM 5237 O O . HOH EA 9 . ? -24.639 -16.494 40.778 1.00 49.82 ? 1113 HOH A O 1 HETATM 5238 O O . HOH EA 9 . ? -0.282 8.884 7.388 1.00 47.83 ? 1114 HOH A O 1 HETATM 5239 O O . HOH EA 9 . ? -7.135 16.899 33.157 1.00 34.84 ? 1115 HOH A O 1 HETATM 5240 O O . HOH EA 9 . ? -31.039 -17.377 30.958 1.00 44.58 ? 1116 HOH A O 1 HETATM 5241 O O . HOH EA 9 . ? -5.817 15.783 21.270 1.00 33.37 ? 1117 HOH A O 1 HETATM 5242 O O . HOH EA 9 . ? -17.327 15.055 45.239 1.00 42.90 ? 1118 HOH A O 1 HETATM 5243 O O . HOH EA 9 . ? -13.741 -1.539 50.459 1.00 37.89 ? 1119 HOH A O 1 HETATM 5244 O O . HOH EA 9 . ? -27.010 -24.667 8.059 1.00 44.86 ? 1120 HOH A O 1 HETATM 5245 O O . HOH EA 9 . ? -10.768 25.027 17.858 1.00 46.89 ? 1121 HOH A O 1 HETATM 5246 O O . HOH EA 9 . ? -10.164 -8.367 4.684 1.00 52.05 ? 1122 HOH A O 1 HETATM 5247 O O . HOH EA 9 . ? 8.263 -15.294 28.125 1.00 44.59 ? 1123 HOH A O 1 HETATM 5248 O O . HOH EA 9 . ? -6.417 -19.105 48.414 1.00 44.34 ? 1124 HOH A O 1 HETATM 5249 O O . HOH EA 9 . ? -28.001 -21.252 24.931 1.00 40.98 ? 1125 HOH A O 1 HETATM 5250 O O . HOH EA 9 . ? -23.018 5.278 32.413 1.00 49.65 ? 1126 HOH A O 1 HETATM 5251 O O . HOH EA 9 . ? -8.275 -21.315 32.521 1.00 29.82 ? 1127 HOH A O 1 HETATM 5252 O O . HOH EA 9 . ? -9.129 -1.971 4.696 1.00 33.58 ? 1128 HOH A O 1 HETATM 5253 O O . HOH EA 9 . ? -25.667 -19.358 35.930 1.00 43.49 ? 1129 HOH A O 1 HETATM 5254 O O . HOH EA 9 . ? 4.133 -21.624 30.832 1.00 44.72 ? 1130 HOH A O 1 HETATM 5255 O O . HOH EA 9 . ? -22.025 -11.072 47.650 1.00 48.42 ? 1131 HOH A O 1 HETATM 5256 O O . HOH EA 9 . ? -10.825 -2.541 47.656 1.00 30.52 ? 1132 HOH A O 1 HETATM 5257 O O . HOH EA 9 . ? -26.500 -19.750 29.518 1.00 44.62 ? 1133 HOH A O 1 HETATM 5258 O O . HOH EA 9 . ? -1.979 10.636 40.054 1.00 42.99 ? 1134 HOH A O 1 HETATM 5259 O O . HOH EA 9 . ? -17.578 -22.016 32.464 1.00 30.26 ? 1135 HOH A O 1 HETATM 5260 O O . HOH EA 9 . ? -3.255 17.127 2.564 1.00 41.64 ? 1136 HOH A O 1 HETATM 5261 O O . HOH EA 9 . ? -17.264 -22.437 36.680 1.00 34.60 ? 1137 HOH A O 1 HETATM 5262 O O . HOH EA 9 . ? 0.759 7.291 41.504 1.00 51.46 ? 1138 HOH A O 1 HETATM 5263 O O . HOH EA 9 . ? -7.649 17.039 17.060 1.00 33.28 ? 1139 HOH A O 1 HETATM 5264 O O . HOH EA 9 . ? -5.830 -3.021 48.598 1.00 45.50 ? 1140 HOH A O 1 HETATM 5265 O O . HOH EA 9 . ? 2.141 2.337 17.679 1.00 47.23 ? 1141 HOH A O 1 HETATM 5266 O O . HOH EA 9 . ? -26.149 -19.847 33.461 1.00 37.71 ? 1142 HOH A O 1 HETATM 5267 O O . HOH EA 9 . ? -24.319 -19.800 31.574 1.00 30.91 ? 1143 HOH A O 1 HETATM 5268 O O . HOH EA 9 . ? -7.975 0.633 50.670 1.00 49.56 ? 1144 HOH A O 1 HETATM 5269 O O . HOH EA 9 . ? 3.000 -12.767 19.276 1.00 42.40 ? 1145 HOH A O 1 HETATM 5270 O O . HOH EA 9 . ? -9.368 -1.598 49.571 1.00 43.58 ? 1146 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 TRP 220 220 220 TRP TRP 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 NAG 1 701 701 NAG NAG A . C 2 NAG 1 702 702 NAG NAG A . D 2 NAG 1 703 703 NAG NAG A . E 2 NAG 2 704 704 NAG NAG A . F 2 NAG 1 705 705 NAG NAG A . G 3 CA 1 706 706 CA CA A . H 4 HEM 1 707 719 HEM HEM A . I 5 SCN 1 708 721 SCN SCN A . J 6 IOD 1 709 722 IOD IOD A . K 6 IOD 1 710 723 IOD IOD A . L 6 IOD 1 711 724 IOD IOD A . M 6 IOD 1 712 725 IOD IOD A . N 6 IOD 1 713 726 IOD IOD A . O 6 IOD 1 714 727 IOD IOD A . P 6 IOD 1 715 728 IOD IOD A . Q 6 IOD 1 716 729 IOD IOD A . R 6 IOD 1 717 730 IOD IOD A . S 6 IOD 1 718 731 IOD IOD A . T 6 IOD 1 719 732 IOD IOD A . U 6 IOD 1 720 733 IOD IOD A . V 6 IOD 1 721 734 IOD IOD A . W 6 IOD 1 722 735 IOD IOD A . X 6 IOD 1 723 736 IOD IOD A . Y 6 IOD 1 724 737 IOD IOD A . Z 6 IOD 1 725 738 IOD IOD A . AA 6 IOD 1 726 739 IOD IOD A . BA 7 OSM 1 727 740 OSM OSM A . CA 7 OSM 1 728 741 OSM OSM A . DA 8 GOL 1 729 742 GOL GOL A . EA 9 HOH 1 801 1146 HOH HOH A . EA 9 HOH 2 802 939 HOH HOH A . EA 9 HOH 3 803 1031 HOH HOH A . EA 9 HOH 4 804 872 HOH HOH A . EA 9 HOH 5 805 976 HOH HOH A . EA 9 HOH 6 806 936 HOH HOH A . EA 9 HOH 7 807 1063 HOH HOH A . EA 9 HOH 8 808 1026 HOH HOH A . EA 9 HOH 9 809 1029 HOH HOH A . EA 9 HOH 10 810 1094 HOH HOH A . EA 9 HOH 11 811 1134 HOH HOH A . EA 9 HOH 12 812 893 HOH HOH A . EA 9 HOH 13 813 1054 HOH HOH A . EA 9 HOH 14 814 1049 HOH HOH A . EA 9 HOH 15 815 1079 HOH HOH A . EA 9 HOH 16 816 1132 HOH HOH A . EA 9 HOH 17 817 1074 HOH HOH A . EA 9 HOH 18 818 1041 HOH HOH A . EA 9 HOH 19 819 865 HOH HOH A . EA 9 HOH 20 820 1100 HOH HOH A . EA 9 HOH 21 821 1075 HOH HOH A . EA 9 HOH 22 822 844 HOH HOH A . EA 9 HOH 23 823 1098 HOH HOH A . EA 9 HOH 24 824 859 HOH HOH A . EA 9 HOH 25 825 1124 HOH HOH A . EA 9 HOH 26 826 916 HOH HOH A . EA 9 HOH 27 827 950 HOH HOH A . EA 9 HOH 28 828 1148 HOH HOH A . EA 9 HOH 29 829 820 HOH HOH A . EA 9 HOH 30 830 944 HOH HOH A . EA 9 HOH 31 831 816 HOH HOH A . EA 9 HOH 32 832 923 HOH HOH A . EA 9 HOH 33 833 889 HOH HOH A . EA 9 HOH 34 834 955 HOH HOH A . EA 9 HOH 35 835 1135 HOH HOH A . EA 9 HOH 36 836 937 HOH HOH A . EA 9 HOH 37 837 802 HOH HOH A . EA 9 HOH 38 838 989 HOH HOH A . EA 9 HOH 39 839 982 HOH HOH A . EA 9 HOH 40 840 882 HOH HOH A . EA 9 HOH 41 841 930 HOH HOH A . EA 9 HOH 42 842 875 HOH HOH A . EA 9 HOH 43 843 808 HOH HOH A . EA 9 HOH 44 844 960 HOH HOH A . EA 9 HOH 45 845 848 HOH HOH A . EA 9 HOH 46 846 986 HOH HOH A . EA 9 HOH 47 847 1068 HOH HOH A . EA 9 HOH 48 848 1070 HOH HOH A . EA 9 HOH 49 849 918 HOH HOH A . EA 9 HOH 50 850 920 HOH HOH A . EA 9 HOH 51 851 1007 HOH HOH A . EA 9 HOH 52 852 1024 HOH HOH A . EA 9 HOH 53 853 1033 HOH HOH A . EA 9 HOH 54 854 858 HOH HOH A . EA 9 HOH 55 855 956 HOH HOH A . EA 9 HOH 56 856 876 HOH HOH A . EA 9 HOH 57 857 1139 HOH HOH A . EA 9 HOH 58 858 962 HOH HOH A . EA 9 HOH 59 859 1032 HOH HOH A . EA 9 HOH 60 860 1149 HOH HOH A . EA 9 HOH 61 861 830 HOH HOH A . EA 9 HOH 62 862 947 HOH HOH A . EA 9 HOH 63 863 1034 HOH HOH A . EA 9 HOH 64 864 869 HOH HOH A . EA 9 HOH 65 865 1059 HOH HOH A . EA 9 HOH 66 866 1111 HOH HOH A . EA 9 HOH 67 867 821 HOH HOH A . EA 9 HOH 68 868 878 HOH HOH A . EA 9 HOH 69 869 1073 HOH HOH A . EA 9 HOH 70 870 998 HOH HOH A . EA 9 HOH 71 871 990 HOH HOH A . EA 9 HOH 72 872 847 HOH HOH A . EA 9 HOH 73 873 812 HOH HOH A . EA 9 HOH 74 874 849 HOH HOH A . EA 9 HOH 75 875 862 HOH HOH A . EA 9 HOH 76 876 1144 HOH HOH A . EA 9 HOH 77 877 853 HOH HOH A . EA 9 HOH 78 878 963 HOH HOH A . EA 9 HOH 79 879 984 HOH HOH A . EA 9 HOH 80 880 825 HOH HOH A . EA 9 HOH 81 881 1004 HOH HOH A . EA 9 HOH 82 882 819 HOH HOH A . EA 9 HOH 83 883 1086 HOH HOH A . EA 9 HOH 84 884 981 HOH HOH A . EA 9 HOH 85 885 1140 HOH HOH A . EA 9 HOH 86 886 970 HOH HOH A . EA 9 HOH 87 887 964 HOH HOH A . EA 9 HOH 88 888 1056 HOH HOH A . EA 9 HOH 89 889 1025 HOH HOH A . EA 9 HOH 90 890 935 HOH HOH A . EA 9 HOH 91 891 1028 HOH HOH A . EA 9 HOH 92 892 887 HOH HOH A . EA 9 HOH 93 893 1050 HOH HOH A . EA 9 HOH 94 894 985 HOH HOH A . EA 9 HOH 95 895 1017 HOH HOH A . EA 9 HOH 96 896 1001 HOH HOH A . EA 9 HOH 97 897 958 HOH HOH A . EA 9 HOH 98 898 974 HOH HOH A . EA 9 HOH 99 899 850 HOH HOH A . EA 9 HOH 100 900 895 HOH HOH A . EA 9 HOH 101 901 992 HOH HOH A . EA 9 HOH 102 902 941 HOH HOH A . EA 9 HOH 103 903 1052 HOH HOH A . EA 9 HOH 104 904 839 HOH HOH A . EA 9 HOH 105 905 940 HOH HOH A . EA 9 HOH 106 906 1021 HOH HOH A . EA 9 HOH 107 907 919 HOH HOH A . EA 9 HOH 108 908 842 HOH HOH A . EA 9 HOH 109 909 845 HOH HOH A . EA 9 HOH 110 910 841 HOH HOH A . EA 9 HOH 111 911 1011 HOH HOH A . EA 9 HOH 112 912 846 HOH HOH A . EA 9 HOH 113 913 1066 HOH HOH A . EA 9 HOH 114 914 933 HOH HOH A . EA 9 HOH 115 915 899 HOH HOH A . EA 9 HOH 116 916 879 HOH HOH A . EA 9 HOH 117 917 828 HOH HOH A . EA 9 HOH 118 918 836 HOH HOH A . EA 9 HOH 119 919 913 HOH HOH A . EA 9 HOH 120 920 856 HOH HOH A . EA 9 HOH 121 921 1030 HOH HOH A . EA 9 HOH 122 922 886 HOH HOH A . EA 9 HOH 123 923 864 HOH HOH A . EA 9 HOH 124 924 902 HOH HOH A . EA 9 HOH 125 925 855 HOH HOH A . EA 9 HOH 126 926 1069 HOH HOH A . EA 9 HOH 127 927 811 HOH HOH A . EA 9 HOH 128 928 1064 HOH HOH A . EA 9 HOH 129 929 932 HOH HOH A . EA 9 HOH 130 930 914 HOH HOH A . EA 9 HOH 131 931 866 HOH HOH A . EA 9 HOH 132 932 868 HOH HOH A . EA 9 HOH 133 933 996 HOH HOH A . EA 9 HOH 134 934 928 HOH HOH A . EA 9 HOH 135 935 993 HOH HOH A . EA 9 HOH 136 936 833 HOH HOH A . EA 9 HOH 137 937 967 HOH HOH A . EA 9 HOH 138 938 824 HOH HOH A . EA 9 HOH 139 939 885 HOH HOH A . EA 9 HOH 140 940 852 HOH HOH A . EA 9 HOH 141 941 1151 HOH HOH A . EA 9 HOH 142 942 815 HOH HOH A . EA 9 HOH 143 943 884 HOH HOH A . EA 9 HOH 144 944 835 HOH HOH A . EA 9 HOH 145 945 1058 HOH HOH A . EA 9 HOH 146 946 1040 HOH HOH A . EA 9 HOH 147 947 860 HOH HOH A . EA 9 HOH 148 948 904 HOH HOH A . EA 9 HOH 149 949 1123 HOH HOH A . EA 9 HOH 150 950 1010 HOH HOH A . EA 9 HOH 151 951 1110 HOH HOH A . EA 9 HOH 152 952 1002 HOH HOH A . EA 9 HOH 153 953 854 HOH HOH A . EA 9 HOH 154 954 924 HOH HOH A . EA 9 HOH 155 955 898 HOH HOH A . EA 9 HOH 156 956 1012 HOH HOH A . EA 9 HOH 157 957 988 HOH HOH A . EA 9 HOH 158 958 975 HOH HOH A . EA 9 HOH 159 959 804 HOH HOH A . EA 9 HOH 160 960 900 HOH HOH A . EA 9 HOH 161 961 818 HOH HOH A . EA 9 HOH 162 962 927 HOH HOH A . EA 9 HOH 163 963 810 HOH HOH A . EA 9 HOH 164 964 823 HOH HOH A . EA 9 HOH 165 965 851 HOH HOH A . EA 9 HOH 166 966 1038 HOH HOH A . EA 9 HOH 167 967 1122 HOH HOH A . EA 9 HOH 168 968 805 HOH HOH A . EA 9 HOH 169 969 1023 HOH HOH A . EA 9 HOH 170 970 1009 HOH HOH A . EA 9 HOH 171 971 1015 HOH HOH A . EA 9 HOH 172 972 953 HOH HOH A . EA 9 HOH 173 973 903 HOH HOH A . EA 9 HOH 174 974 1095 HOH HOH A . EA 9 HOH 175 975 946 HOH HOH A . EA 9 HOH 176 976 870 HOH HOH A . EA 9 HOH 177 977 1147 HOH HOH A . EA 9 HOH 178 978 826 HOH HOH A . EA 9 HOH 179 979 968 HOH HOH A . EA 9 HOH 180 980 1048 HOH HOH A . EA 9 HOH 181 981 959 HOH HOH A . EA 9 HOH 182 982 867 HOH HOH A . EA 9 HOH 183 983 801 HOH HOH A . EA 9 HOH 184 984 817 HOH HOH A . EA 9 HOH 185 985 905 HOH HOH A . EA 9 HOH 186 986 897 HOH HOH A . EA 9 HOH 187 987 921 HOH HOH A . EA 9 HOH 188 988 972 HOH HOH A . EA 9 HOH 189 989 952 HOH HOH A . EA 9 HOH 190 990 1014 HOH HOH A . EA 9 HOH 191 991 1108 HOH HOH A . EA 9 HOH 192 992 827 HOH HOH A . EA 9 HOH 193 993 910 HOH HOH A . EA 9 HOH 194 994 917 HOH HOH A . EA 9 HOH 195 995 915 HOH HOH A . EA 9 HOH 196 996 807 HOH HOH A . EA 9 HOH 197 997 1093 HOH HOH A . EA 9 HOH 198 998 1013 HOH HOH A . EA 9 HOH 199 999 890 HOH HOH A . EA 9 HOH 200 1000 912 HOH HOH A . EA 9 HOH 201 1001 979 HOH HOH A . EA 9 HOH 202 1002 1130 HOH HOH A . EA 9 HOH 203 1003 892 HOH HOH A . EA 9 HOH 204 1004 1084 HOH HOH A . EA 9 HOH 205 1005 871 HOH HOH A . EA 9 HOH 206 1006 1088 HOH HOH A . EA 9 HOH 207 1007 1114 HOH HOH A . EA 9 HOH 208 1008 1006 HOH HOH A . EA 9 HOH 209 1009 931 HOH HOH A . EA 9 HOH 210 1010 840 HOH HOH A . EA 9 HOH 211 1011 814 HOH HOH A . EA 9 HOH 212 1012 901 HOH HOH A . EA 9 HOH 213 1013 857 HOH HOH A . EA 9 HOH 214 1014 965 HOH HOH A . EA 9 HOH 215 1015 1096 HOH HOH A . EA 9 HOH 216 1016 1153 HOH HOH A . EA 9 HOH 217 1017 806 HOH HOH A . EA 9 HOH 218 1018 938 HOH HOH A . EA 9 HOH 219 1019 969 HOH HOH A . EA 9 HOH 220 1020 943 HOH HOH A . EA 9 HOH 221 1021 999 HOH HOH A . EA 9 HOH 222 1022 831 HOH HOH A . EA 9 HOH 223 1023 980 HOH HOH A . EA 9 HOH 224 1024 909 HOH HOH A . EA 9 HOH 225 1025 1005 HOH HOH A . EA 9 HOH 226 1026 891 HOH HOH A . EA 9 HOH 227 1027 1037 HOH HOH A . EA 9 HOH 228 1028 1117 HOH HOH A . EA 9 HOH 229 1029 1138 HOH HOH A . EA 9 HOH 230 1030 954 HOH HOH A . EA 9 HOH 231 1031 925 HOH HOH A . EA 9 HOH 232 1032 942 HOH HOH A . EA 9 HOH 233 1033 894 HOH HOH A . EA 9 HOH 234 1034 883 HOH HOH A . EA 9 HOH 235 1035 1072 HOH HOH A . EA 9 HOH 236 1036 809 HOH HOH A . EA 9 HOH 237 1037 813 HOH HOH A . EA 9 HOH 238 1038 1118 HOH HOH A . EA 9 HOH 239 1039 1109 HOH HOH A . EA 9 HOH 240 1040 997 HOH HOH A . EA 9 HOH 241 1041 1099 HOH HOH A . EA 9 HOH 242 1042 994 HOH HOH A . EA 9 HOH 243 1043 1020 HOH HOH A . EA 9 HOH 244 1044 1018 HOH HOH A . EA 9 HOH 245 1045 1113 HOH HOH A . EA 9 HOH 246 1046 1083 HOH HOH A . EA 9 HOH 247 1047 843 HOH HOH A . EA 9 HOH 248 1048 1080 HOH HOH A . EA 9 HOH 249 1049 863 HOH HOH A . EA 9 HOH 250 1050 1019 HOH HOH A . EA 9 HOH 251 1051 1082 HOH HOH A . EA 9 HOH 252 1052 1071 HOH HOH A . EA 9 HOH 253 1053 829 HOH HOH A . EA 9 HOH 254 1054 1102 HOH HOH A . EA 9 HOH 255 1055 1150 HOH HOH A . EA 9 HOH 256 1056 907 HOH HOH A . EA 9 HOH 257 1057 908 HOH HOH A . EA 9 HOH 258 1058 1077 HOH HOH A . EA 9 HOH 259 1059 961 HOH HOH A . EA 9 HOH 260 1060 1036 HOH HOH A . EA 9 HOH 261 1061 1000 HOH HOH A . EA 9 HOH 262 1062 1133 HOH HOH A . EA 9 HOH 263 1063 973 HOH HOH A . EA 9 HOH 264 1064 995 HOH HOH A . EA 9 HOH 265 1065 922 HOH HOH A . EA 9 HOH 266 1066 1016 HOH HOH A . EA 9 HOH 267 1067 987 HOH HOH A . EA 9 HOH 268 1068 1145 HOH HOH A . EA 9 HOH 269 1069 873 HOH HOH A . EA 9 HOH 270 1070 1027 HOH HOH A . EA 9 HOH 271 1071 822 HOH HOH A . EA 9 HOH 272 1072 1039 HOH HOH A . EA 9 HOH 273 1073 803 HOH HOH A . EA 9 HOH 274 1074 926 HOH HOH A . EA 9 HOH 275 1075 896 HOH HOH A . EA 9 HOH 276 1076 1003 HOH HOH A . EA 9 HOH 277 1077 1104 HOH HOH A . EA 9 HOH 278 1078 1055 HOH HOH A . EA 9 HOH 279 1079 971 HOH HOH A . EA 9 HOH 280 1080 1116 HOH HOH A . EA 9 HOH 281 1081 911 HOH HOH A . EA 9 HOH 282 1082 1035 HOH HOH A . EA 9 HOH 283 1083 881 HOH HOH A . EA 9 HOH 284 1084 1051 HOH HOH A . EA 9 HOH 285 1085 1092 HOH HOH A . EA 9 HOH 286 1086 1081 HOH HOH A . EA 9 HOH 287 1087 978 HOH HOH A . EA 9 HOH 288 1088 1127 HOH HOH A . EA 9 HOH 289 1089 1141 HOH HOH A . EA 9 HOH 290 1090 1062 HOH HOH A . EA 9 HOH 291 1091 1128 HOH HOH A . EA 9 HOH 292 1092 877 HOH HOH A . EA 9 HOH 293 1093 1143 HOH HOH A . EA 9 HOH 294 1094 983 HOH HOH A . EA 9 HOH 295 1095 1152 HOH HOH A . EA 9 HOH 296 1096 1091 HOH HOH A . EA 9 HOH 297 1097 837 HOH HOH A . EA 9 HOH 298 1098 888 HOH HOH A . EA 9 HOH 299 1099 934 HOH HOH A . EA 9 HOH 300 1100 1008 HOH HOH A . EA 9 HOH 301 1101 1057 HOH HOH A . EA 9 HOH 302 1102 1121 HOH HOH A . EA 9 HOH 303 1103 1089 HOH HOH A . EA 9 HOH 304 1104 977 HOH HOH A . EA 9 HOH 305 1105 1085 HOH HOH A . EA 9 HOH 306 1106 929 HOH HOH A . EA 9 HOH 307 1107 861 HOH HOH A . EA 9 HOH 308 1108 838 HOH HOH A . EA 9 HOH 309 1109 834 HOH HOH A . EA 9 HOH 310 1110 1101 HOH HOH A . EA 9 HOH 311 1111 1087 HOH HOH A . EA 9 HOH 312 1112 1129 HOH HOH A . EA 9 HOH 313 1113 874 HOH HOH A . EA 9 HOH 314 1114 1061 HOH HOH A . EA 9 HOH 315 1115 957 HOH HOH A . EA 9 HOH 316 1116 1107 HOH HOH A . EA 9 HOH 317 1117 832 HOH HOH A . EA 9 HOH 318 1118 991 HOH HOH A . EA 9 HOH 319 1119 880 HOH HOH A . EA 9 HOH 320 1120 948 HOH HOH A . EA 9 HOH 321 1121 1105 HOH HOH A . EA 9 HOH 322 1122 949 HOH HOH A . EA 9 HOH 323 1123 1060 HOH HOH A . EA 9 HOH 324 1124 1103 HOH HOH A . EA 9 HOH 325 1125 1112 HOH HOH A . EA 9 HOH 326 1126 1131 HOH HOH A . EA 9 HOH 327 1127 1067 HOH HOH A . EA 9 HOH 328 1128 1115 HOH HOH A . EA 9 HOH 329 1129 1053 HOH HOH A . EA 9 HOH 330 1130 1106 HOH HOH A . EA 9 HOH 331 1131 1097 HOH HOH A . EA 9 HOH 332 1132 1022 HOH HOH A . EA 9 HOH 333 1133 1044 HOH HOH A . EA 9 HOH 334 1134 1119 HOH HOH A . EA 9 HOH 335 1135 1047 HOH HOH A . EA 9 HOH 336 1136 1045 HOH HOH A . EA 9 HOH 337 1137 951 HOH HOH A . EA 9 HOH 338 1138 1120 HOH HOH A . EA 9 HOH 339 1139 906 HOH HOH A . EA 9 HOH 340 1140 1042 HOH HOH A . EA 9 HOH 341 1141 1076 HOH HOH A . EA 9 HOH 342 1142 1046 HOH HOH A . EA 9 HOH 343 1143 1043 HOH HOH A . EA 9 HOH 344 1144 1090 HOH HOH A . EA 9 HOH 345 1145 945 HOH HOH A . EA 9 HOH 346 1146 1065 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,W,X,Y,Z,AA,BA,CA,DA,EA # 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)' 2680 ? 1 MORE -6 ? 1 'SSA (A^2)' 24640 ? # _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 ? G CA . ? A CA 706 ? 1_555 OD1 ? A ASP 110 ? A ASP 110 ? 1_555 77.2 ? 2 O ? A ASP 110 ? A ASP 110 ? 1_555 CA ? G CA . ? A CA 706 ? 1_555 O ? A THR 184 ? A THR 184 ? 1_555 78.7 ? 3 OD1 ? A ASP 110 ? A ASP 110 ? 1_555 CA ? G CA . ? A CA 706 ? 1_555 O ? A THR 184 ? A THR 184 ? 1_555 143.1 ? 4 O ? A ASP 110 ? A ASP 110 ? 1_555 CA ? G CA . ? A CA 706 ? 1_555 OG1 ? A THR 184 ? A THR 184 ? 1_555 129.2 ? 5 OD1 ? A ASP 110 ? A ASP 110 ? 1_555 CA ? G CA . ? A CA 706 ? 1_555 OG1 ? A THR 184 ? A THR 184 ? 1_555 147.8 ? 6 O ? A THR 184 ? A THR 184 ? 1_555 CA ? G CA . ? A CA 706 ? 1_555 OG1 ? A THR 184 ? A THR 184 ? 1_555 68.1 ? 7 O ? A ASP 110 ? A ASP 110 ? 1_555 CA ? G CA . ? A CA 706 ? 1_555 O ? A PHE 186 ? A PHE 186 ? 1_555 120.9 ? 8 OD1 ? A ASP 110 ? A ASP 110 ? 1_555 CA ? G CA . ? A CA 706 ? 1_555 O ? A PHE 186 ? A PHE 186 ? 1_555 81.3 ? 9 O ? A THR 184 ? A THR 184 ? 1_555 CA ? G CA . ? A CA 706 ? 1_555 O ? A PHE 186 ? A PHE 186 ? 1_555 87.7 ? 10 OG1 ? A THR 184 ? A THR 184 ? 1_555 CA ? G CA . ? A CA 706 ? 1_555 O ? A PHE 186 ? A PHE 186 ? 1_555 95.7 ? 11 O ? A ASP 110 ? A ASP 110 ? 1_555 CA ? G CA . ? A CA 706 ? 1_555 OD1 ? A ASP 188 ? A ASP 188 ? 1_555 145.5 ? 12 OD1 ? A ASP 110 ? A ASP 110 ? 1_555 CA ? G CA . ? A CA 706 ? 1_555 OD1 ? A ASP 188 ? A ASP 188 ? 1_555 75.0 ? 13 O ? A THR 184 ? A THR 184 ? 1_555 CA ? G CA . ? A CA 706 ? 1_555 OD1 ? A ASP 188 ? A ASP 188 ? 1_555 135.3 ? 14 OG1 ? A THR 184 ? A THR 184 ? 1_555 CA ? G CA . ? A CA 706 ? 1_555 OD1 ? A ASP 188 ? A ASP 188 ? 1_555 73.4 ? 15 O ? A PHE 186 ? A PHE 186 ? 1_555 CA ? G CA . ? A CA 706 ? 1_555 OD1 ? A ASP 188 ? A ASP 188 ? 1_555 74.3 ? 16 O ? A ASP 110 ? A ASP 110 ? 1_555 CA ? G CA . ? A CA 706 ? 1_555 OG ? A SER 190 ? A SER 190 ? 1_555 82.2 ? 17 OD1 ? A ASP 110 ? A ASP 110 ? 1_555 CA ? G CA . ? A CA 706 ? 1_555 OG ? A SER 190 ? A SER 190 ? 1_555 87.6 ? 18 O ? A THR 184 ? A THR 184 ? 1_555 CA ? G CA . ? A CA 706 ? 1_555 OG ? A SER 190 ? A SER 190 ? 1_555 116.2 ? 19 OG1 ? A THR 184 ? A THR 184 ? 1_555 CA ? G CA . ? A CA 706 ? 1_555 OG ? A SER 190 ? A SER 190 ? 1_555 79.6 ? 20 O ? A PHE 186 ? A PHE 186 ? 1_555 CA ? G CA . ? A CA 706 ? 1_555 OG ? A SER 190 ? A SER 190 ? 1_555 150.7 ? 21 OD1 ? A ASP 188 ? A ASP 188 ? 1_555 CA ? G CA . ? A CA 706 ? 1_555 OG ? A SER 190 ? A SER 190 ? 1_555 76.6 ? 22 NE2 ? A HIS 351 ? A HIS 351 ? 1_555 FE ? H HEM . ? A HEM 707 ? 1_555 NA ? H HEM . ? A HEM 707 ? 1_555 96.6 ? 23 NE2 ? A HIS 351 ? A HIS 351 ? 1_555 FE ? H HEM . ? A HEM 707 ? 1_555 NB ? H HEM . ? A HEM 707 ? 1_555 94.6 ? 24 NA ? H HEM . ? A HEM 707 ? 1_555 FE ? H HEM . ? A HEM 707 ? 1_555 NB ? H HEM . ? A HEM 707 ? 1_555 87.2 ? 25 NE2 ? A HIS 351 ? A HIS 351 ? 1_555 FE ? H HEM . ? A HEM 707 ? 1_555 NC ? H HEM . ? A HEM 707 ? 1_555 86.0 ? 26 NA ? H HEM . ? A HEM 707 ? 1_555 FE ? H HEM . ? A HEM 707 ? 1_555 NC ? H HEM . ? A HEM 707 ? 1_555 175.5 ? 27 NB ? H HEM . ? A HEM 707 ? 1_555 FE ? H HEM . ? A HEM 707 ? 1_555 NC ? H HEM . ? A HEM 707 ? 1_555 89.0 ? 28 NE2 ? A HIS 351 ? A HIS 351 ? 1_555 FE ? H HEM . ? A HEM 707 ? 1_555 ND ? H HEM . ? A HEM 707 ? 1_555 87.3 ? 29 NA ? H HEM . ? A HEM 707 ? 1_555 FE ? H HEM . ? A HEM 707 ? 1_555 ND ? H HEM . ? A HEM 707 ? 1_555 90.1 ? 30 NB ? H HEM . ? A HEM 707 ? 1_555 FE ? H HEM . ? A HEM 707 ? 1_555 ND ? H HEM . ? A HEM 707 ? 1_555 176.9 ? 31 NC ? H HEM . ? A HEM 707 ? 1_555 FE ? H HEM . ? A HEM 707 ? 1_555 ND ? H HEM . ? A HEM 707 ? 1_555 93.6 ? # 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 2016-07-27 2 'Structure model' 1 1 2017-02-01 3 'Structure model' 1 2 2018-07-18 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # loop_ _pdbx_audit_revision_group.ordinal _pdbx_audit_revision_group.revision_ordinal _pdbx_audit_revision_group.data_content_type _pdbx_audit_revision_group.group 1 2 'Structure model' 'Database references' 2 3 'Structure model' 'Data collection' 3 3 'Structure model' 'Database references' # _pdbx_audit_revision_category.ordinal 1 _pdbx_audit_revision_category.revision_ordinal 3 _pdbx_audit_revision_category.data_content_type 'Structure model' _pdbx_audit_revision_category.category struct_ref_seq_dif # _pdbx_audit_revision_item.ordinal 1 _pdbx_audit_revision_item.revision_ordinal 3 _pdbx_audit_revision_item.data_content_type 'Structure model' _pdbx_audit_revision_item.item '_struct_ref_seq_dif.details' # 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 OD2 A ASP 108 ? ? CMD A HEM 707 ? ? 1.74 2 1 OE2 A GLU 258 ? A CMB A HEM 707 ? ? 1.77 # 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 O A VAL 166 ? ? C A VAL 166 ? ? N A CYS 167 ? ? 134.08 122.70 11.38 1.60 Y 2 1 C A CYS 167 ? ? N A PRO 168 ? ? CA A PRO 168 ? ? 129.35 119.30 10.05 1.50 Y 3 1 NE A ARG 177 ? ? CZ A ARG 177 ? ? NH2 A ARG 177 ? ? 116.08 120.30 -4.22 0.50 N 4 1 C A PRO 197 ? ? N A SEP 198 ? ? CA A SEP 198 ? ? 136.95 121.70 15.25 2.50 Y 5 1 CA A GLU 258 ? ? CB A GLU 258 ? ? CG A GLU 258 ? A 133.73 113.40 20.33 2.20 N 6 1 CA A GLU 258 ? ? CB A GLU 258 ? ? CG A GLU 258 ? B 133.02 113.40 19.62 2.20 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 ? ? -73.46 -154.93 2 1 ASP A 27 ? ? -49.18 154.49 3 1 ALA A 56 ? ? -152.95 -25.61 4 1 ALA A 114 ? ? -109.57 79.14 5 1 SER A 125 ? ? -39.53 -23.86 6 1 ASP A 137 ? ? 51.49 -118.43 7 1 ASN A 147 ? ? 81.66 -10.51 8 1 CYS A 167 ? ? 95.75 15.91 9 1 THR A 169 ? ? 130.16 -67.62 10 1 SER A 174 ? ? 160.28 -68.22 11 1 PRO A 209 ? ? -66.77 38.88 12 1 GLU A 371 ? ? -111.51 51.39 13 1 ASP A 389 ? ? -145.00 36.80 14 1 THR A 425 ? ? 89.25 -15.77 15 1 LYS A 427 ? ? 73.09 -39.90 16 1 ASN A 473 ? ? -164.57 111.06 17 1 LYS A 485 ? ? 82.88 -36.84 18 1 MET A 547 ? ? -47.64 151.57 19 1 PRO A 589 ? ? -67.68 3.98 # 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 VAL A 4 ? ? GLY A 5 ? ? -146.79 2 1 GLY A 5 ? ? CYS A 6 ? ? 148.68 3 1 CYS A 167 ? ? PRO A 168 ? ? -98.25 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 N-ACETYL-D-GLUCOSAMINE NAG 3 'CALCIUM ION' CA 4 'PROTOPORPHYRIN IX CONTAINING FE' HEM 5 'THIOCYANATE ION' SCN 6 'IODIDE ION' IOD 7 '1-(OXIDOSULFANYL)METHANAMINE' OSM 8 GLYCEROL GOL 9 water HOH #