data_3GC1 # _entry.id 3GC1 # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.281 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 3GC1 RCSB RCSB051676 WWPDB D_1000051676 # loop_ _pdbx_database_related.db_name _pdbx_database_related.db_id _pdbx_database_related.details _pdbx_database_related.content_type PDB 3BXI 'Structure of the complex of bovine lactoperoxidase with its catalyzed product hypothiocyanate ion at 2.3A resolution' unspecified PDB 3GCJ . unspecified PDB 3GCK . unspecified PDB 3GCL . unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 3GC1 _pdbx_database_status.recvd_initial_deposition_date 2009-02-21 _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site PDBJ _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.SG_entry ? _pdbx_database_status.pdb_format_compatible Y _pdbx_database_status.status_code_cs ? # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Singh, A.K.' 1 'Singh, N.' 2 'Sinha, M.' 3 'Kaur, P.' 4 'Srinivasan, A.' 5 'Sharma, S.' 6 'Singh, T.P.' 7 # _citation.id primary _citation.title ;Mode of binding of the tuberculosis prodrug isoniazid to heme peroxidases: binding studies and crystal structure of bovine lactoperoxidase with isoniazid at 2.7 A resolution. ; _citation.journal_abbrev J.Biol.Chem. _citation.journal_volume 285 _citation.page_first 1569 _citation.page_last 1576 _citation.year 2010 _citation.journal_id_ASTM JBCHA3 _citation.country US _citation.journal_id_ISSN 0021-9258 _citation.journal_id_CSD 0071 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 19907057 _citation.pdbx_database_id_DOI 10.1074/jbc.M109.060327 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Singh, A.K.' 1 primary 'Kumar, R.P.' 2 primary 'Pandey, N.' 3 primary 'Singh, N.' 4 primary 'Sinha, M.' 5 primary 'Bhushan, A.' 6 primary 'Kaur, P.' 7 primary 'Sharma, S.' 8 primary 'Singh, T.P.' 9 # _cell.entry_id 3GC1 _cell.length_a 53.650 _cell.length_b 80.710 _cell.length_c 75.680 _cell.angle_alpha 90.00 _cell.angle_beta 101.75 _cell.angle_gamma 90.00 _cell.Z_PDB 2 _cell.pdbx_unique_axis ? _cell.length_a_esd ? _cell.length_b_esd ? _cell.length_c_esd ? _cell.angle_alpha_esd ? _cell.angle_beta_esd ? _cell.angle_gamma_esd ? # _symmetry.entry_id 3GC1 _symmetry.space_group_name_H-M 'P 1 21 1' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 4 _symmetry.space_group_name_Hall ? # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details 1 polymer nat Lactoperoxidase 67853.281 1 1.11.1.7 ? 'UNP residues 118-712' ? 2 non-polymer syn 'PROTOPORPHYRIN IX CONTAINING FE' 616.487 1 ? ? ? ? 3 non-polymer syn 'CALCIUM ION' 40.078 1 ? ? ? ? 4 non-polymer syn 'THIOCYANATE ION' 58.082 1 ? ? ? ? 5 non-polymer man '2-(ACETYLAMINO)-2-DEOXY-A-D-GLUCOPYRANOSE' 221.208 2 ? ? ? ? 6 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 6 ? ? ? ? 7 non-polymer man ALPHA-D-MANNOSE 180.156 2 ? ? ? ? 8 non-polymer syn 'IODIDE ION' 126.904 7 ? ? ? ? 9 water nat water 18.015 296 ? ? ? ? # _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 CEFINTTARVPCFLAGDFRASEQILLATAHTLLLREHNRLARELKKLNPHWNGEKLYQEARKILGAFIQIITFRDYLPIV LGSEMQKWIPPYQGYNNSVDPRISNVFTFAFRFGHMEVPSTVSRLDENYQPWGPEAELPLHTLFFNTWRIIKDGGIDPLV RGLLAKKSKLMNQDKMVTSELRNKLFQPTHKIHGFDLAAINLQRCRDHGMPGYNSWRGFCGLSQPKTLKGLQTVLKNKIL AKKLMDLYKTPDNIDIWIGGNAEPMVERGRVGPLLACLLGRQFQQIRDGDRFWWENPGVFTEKQRDSLQKVSFSRLICDN THITKVPLHAFQANNYPHDFVDCSTVDKLDLSPWASREN ; _entity_poly.pdbx_seq_one_letter_code_can ;SWEVGCGAPVPLVKCDENSPYRTITGDCNNRRSPALGAANRALARWLPAEYEDGLALPFGWTQRKTRNGFRVPLAREVSN KIVGYLDEEGVLDQNRSLLFMQWGQIVDHDLDFAPETELGSNEHSKTQCEEYCIQGDNCFPIMFPKNDPKLKTQGKCMPF FRAGFVCPTPPYQSLAREQINAVTSFLDASLVYGSEPSLASRLRNLSSPLGLMAVNQEAWDHGLAYLPFNNKKPSPCEFI NTTARVPCFLAGDFRASEQILLATAHTLLLREHNRLARELKKLNPHWNGEKLYQEARKILGAFIQIITFRDYLPIVLGSE MQKWIPPYQGYNNSVDPRISNVFTFAFRFGHMEVPSTVSRLDENYQPWGPEAELPLHTLFFNTWRIIKDGGIDPLVRGLL AKKSKLMNQDKMVTSELRNKLFQPTHKIHGFDLAAINLQRCRDHGMPGYNSWRGFCGLSQPKTLKGLQTVLKNKILAKKL MDLYKTPDNIDIWIGGNAEPMVERGRVGPLLACLLGRQFQQIRDGDRFWWENPGVFTEKQRDSLQKVSFSRLICDNTHIT 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 PHE 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 ASP 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 VAL 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 ? _entity_src_nat.pdbx_end_seq_num ? _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.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.pdbx_db_isoform ? # _struct_ref_seq.align_id 1 _struct_ref_seq.ref_id 1 _struct_ref_seq.pdbx_PDB_id_code 3GC1 _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_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 CA non-polymer . 'CALCIUM ION' ? 'Ca 2' 40.078 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HEM non-polymer . 'PROTOPORPHYRIN IX CONTAINING FE' HEME 'C34 H32 Fe N4 O4' 616.487 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 IOD non-polymer . 'IODIDE ION' ? 'I -1' 126.904 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MAN D-saccharide . ALPHA-D-MANNOSE ? 'C6 H12 O6' 180.156 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 NDG D-saccharide . '2-(ACETYLAMINO)-2-DEOXY-A-D-GLUCOPYRANOSE' ? 'C8 H15 N O6' 221.208 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 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.entry_id 3GC1 _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 2.36 _exptl_crystal.density_percent_sol 47.97 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.preparation ? # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP' _exptl_crystal_grow.temp 298 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH 6.8 _exptl_crystal_grow.pdbx_details 'Ammonium Iodide, PEG3350, pH6.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K' _exptl_crystal_grow.pdbx_pH_range . # _diffrn.id 1 _diffrn.ambient_temp 291 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector 'IMAGE PLATE' _diffrn_detector.type 'MAR scanner 345 mm plate' _diffrn_detector.pdbx_collection_date 2008-06-20 _diffrn_detector.details Mirror # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.monochromator graphite _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 1.54312 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source 'ROTATING ANODE' _diffrn_source.type 'RIGAKU RU300' _diffrn_source.pdbx_synchrotron_site ? _diffrn_source.pdbx_synchrotron_beamline ? _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_wavelength_list 1.54312 # _reflns.entry_id 3GC1 _reflns.observed_criterion_sigma_I 0 _reflns.observed_criterion_sigma_F 0 _reflns.d_resolution_low 25 _reflns.d_resolution_high 2.5 _reflns.number_obs 20977 _reflns.number_all 20984 _reflns.percent_possible_obs 95.2 _reflns.pdbx_Rmerge_I_obs ? _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_sigmaI ? _reflns.B_iso_Wilson_estimate 63.7 _reflns.pdbx_redundancy ? _reflns.R_free_details ? _reflns.limit_h_max ? _reflns.limit_h_min ? _reflns.limit_k_max ? _reflns.limit_k_min ? _reflns.limit_l_max ? _reflns.limit_l_min ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_ordinal 1 _reflns.pdbx_diffrn_id 1 # _reflns_shell.d_res_high 2.5 _reflns_shell.d_res_low 2.59 _reflns_shell.percent_possible_all 85.8 _reflns_shell.Rmerge_I_obs ? _reflns_shell.pdbx_Rsym_value ? _reflns_shell.meanI_over_sigI_obs ? _reflns_shell.pdbx_redundancy ? _reflns_shell.percent_possible_obs ? _reflns_shell.number_unique_all ? _reflns_shell.number_measured_all ? _reflns_shell.number_measured_obs ? _reflns_shell.number_unique_obs ? _reflns_shell.pdbx_chi_squared ? _reflns_shell.pdbx_ordinal 1 _reflns_shell.pdbx_diffrn_id 1 # _refine.entry_id 3GC1 _refine.ls_number_reflns_obs 20970 _refine.ls_number_reflns_all 20984 _refine.pdbx_ls_sigma_I 0 _refine.pdbx_ls_sigma_F 0.0 _refine.pdbx_data_cutoff_high_absF 33741.32 _refine.pdbx_data_cutoff_low_absF 0.000000 _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 24.97 _refine.ls_d_res_high 2.50 _refine.ls_percent_reflns_obs 95.3 _refine.ls_R_factor_obs 0.247 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.247 _refine.ls_R_factor_R_free 0.268 _refine.ls_R_factor_R_free_error 0.008 _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 5.8 _refine.ls_number_reflns_R_free 1224 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.B_iso_mean 51.7 _refine.aniso_B[1][1] -1.60 _refine.aniso_B[2][2] -21.50 _refine.aniso_B[3][3] 23.10 _refine.aniso_B[1][2] 0.00 _refine.aniso_B[1][3] 4.80 _refine.aniso_B[2][3] 0.00 _refine.solvent_model_details 'FLAT MODEL' _refine.solvent_model_param_ksol 0.34981 _refine.solvent_model_param_bsol 79.8601 _refine.pdbx_solvent_vdw_probe_radii ? _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii ? _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.details ? _refine.pdbx_starting_model 'PDB ENTRY 3ERI' _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model RESTRAINED _refine.pdbx_stereochemistry_target_values 'Engh & Huber' _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_overall_ESU_R ? _refine.pdbx_overall_ESU_R_Free ? _refine.overall_SU_ML ? _refine.overall_SU_B ? _refine.ls_redundancy_reflns_obs ? _refine.B_iso_min ? _refine.B_iso_max ? _refine.overall_SU_R_Cruickshank_DPI ? _refine.overall_SU_R_free ? _refine.ls_wR_factor_R_free ? _refine.ls_wR_factor_R_work ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set ? _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.pdbx_overall_phase_error ? _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_analyze.entry_id 3GC1 _refine_analyze.Luzzati_coordinate_error_obs 0.36 _refine_analyze.Luzzati_sigma_a_obs 0.37 _refine_analyze.Luzzati_d_res_low_obs 5.00 _refine_analyze.Luzzati_coordinate_error_free 0.41 _refine_analyze.Luzzati_sigma_a_free 0.37 _refine_analyze.Luzzati_d_res_low_free ? _refine_analyze.number_disordered_residues ? _refine_analyze.occupancy_sum_hydrogen ? _refine_analyze.occupancy_sum_non_hydrogen ? _refine_analyze.pdbx_Luzzati_d_res_high_obs ? _refine_analyze.pdbx_refine_id 'X-RAY DIFFRACTION' # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 4774 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 188 _refine_hist.number_atoms_solvent 296 _refine_hist.number_atoms_total 5258 _refine_hist.d_res_high 2.50 _refine_hist.d_res_low 24.97 # loop_ _refine_ls_restr.type _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.number _refine_ls_restr.pdbx_refine_id _refine_ls_restr.pdbx_restraint_function c_bond_d 0.012 ? ? ? 'X-RAY DIFFRACTION' ? c_bond_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? c_bond_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? c_angle_d ? ? ? ? 'X-RAY DIFFRACTION' ? c_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? c_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? c_angle_deg 2.4 ? ? ? 'X-RAY DIFFRACTION' ? c_angle_deg_na ? ? ? ? 'X-RAY DIFFRACTION' ? c_angle_deg_prot ? ? ? ? 'X-RAY DIFFRACTION' ? c_dihedral_angle_d 25.5 ? ? ? 'X-RAY DIFFRACTION' ? c_dihedral_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? c_dihedral_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? c_improper_angle_d 1.67 ? ? ? 'X-RAY DIFFRACTION' ? c_improper_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? c_improper_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? c_mcbond_it 1.86 1.50 ? ? 'X-RAY DIFFRACTION' ? c_mcangle_it 3.02 2.00 ? ? 'X-RAY DIFFRACTION' ? c_scbond_it 4.77 2.00 ? ? 'X-RAY DIFFRACTION' ? c_scangle_it 4.39 2.50 ? ? 'X-RAY DIFFRACTION' ? # _refine_ls_shell.pdbx_total_number_of_bins_used 6 _refine_ls_shell.d_res_high 2.5 _refine_ls_shell.d_res_low 2.59 _refine_ls_shell.number_reflns_R_work 0 _refine_ls_shell.R_factor_R_work 0.286 _refine_ls_shell.percent_reflns_obs 85.8 _refine_ls_shell.R_factor_R_free ? _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.number_reflns_R_free ? _refine_ls_shell.number_reflns_all ? _refine_ls_shell.R_factor_all ? _refine_ls_shell.number_reflns_obs ? _refine_ls_shell.redundancy_reflns_obs ? _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' # loop_ _pdbx_xplor_file.serial_no _pdbx_xplor_file.param_file _pdbx_xplor_file.topol_file _pdbx_xplor_file.pdbx_refine_id 1 protein_rep.param ion.top 'X-RAY DIFFRACTION' 3 water_rep.param water.top 'X-RAY DIFFRACTION' 4 all.param all.top 'X-RAY DIFFRACTION' 5 carbohydrate.param carbohydrate.top 'X-RAY DIFFRACTION' # _struct.entry_id 3GC1 _struct.title 'Crystal structure of bovine lactoperoxidase' _struct.pdbx_descriptor 'Lactoperoxidase (E.C.1.11.1.7)' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 3GC1 _struct_keywords.pdbx_keywords OXIDOREDUCTASE _struct_keywords.text ;Peroxidase, Heme, OXIDOREDUCTASE, Antibiotic, Antimicrobial, Cleavage on pair of basic residues, Glycoprotein, Hydrogen peroxide, Iron, Metal-binding, Secreted ; # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 3 ? D N N 4 ? E N N 5 ? F N N 6 ? G N N 7 ? H N N 6 ? I N N 6 ? J N N 5 ? K N N 6 ? L N N 7 ? M N N 6 ? N N N 6 ? O N N 8 ? P N N 8 ? Q N N 8 ? R N N 8 ? S N N 8 ? T N N 8 ? U N N 8 ? V N N 9 ? # _struct_biol.id 1 _struct_biol.details ? # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 1 LEU A 74 ? VAL A 83 ? LEU A 74 VAL A 83 1 ? 10 HELX_P HELX_P2 2 LEU A 98 ? ASP A 112 ? LEU A 98 ASP A 112 1 ? 15 HELX_P HELX_P3 3 PRO A 149 ? GLN A 154 ? PRO A 149 GLN A 154 1 ? 6 HELX_P HELX_P4 4 ALA A 189 ? GLY A 194 ? ALA A 189 GLY A 194 1 ? 6 HELX_P HELX_P5 5 GLU A 196 ? SER A 201 ? GLU A 196 SER A 201 1 ? 6 HELX_P HELX_P6 6 SER A 235 ? ILE A 240 ? SER A 235 ILE A 240 1 ? 6 HELX_P HELX_P7 7 GLN A 259 ? ASN A 284 ? GLN A 259 ASN A 284 1 ? 26 HELX_P HELX_P8 8 ASN A 288 ? ASP A 311 ? ASN A 288 ASP A 311 1 ? 24 HELX_P HELX_P9 9 TYR A 312 ? GLY A 318 ? TYR A 312 GLY A 318 1 ? 7 HELX_P HELX_P10 10 GLU A 320 ? ILE A 325 ? GLU A 320 ILE A 325 1 ? 6 HELX_P HELX_P11 11 SER A 340 ? PHE A 347 ? SER A 340 PHE A 347 1 ? 8 HELX_P HELX_P12 12 ARG A 348 ? VAL A 354 ? ARG A 348 VAL A 354 5 ? 7 HELX_P HELX_P13 13 HIS A 377 ? LEU A 379 ? HIS A 377 LEU A 379 5 ? 3 HELX_P HELX_P14 14 THR A 383 ? LYS A 388 ? THR A 383 LYS A 388 1 ? 6 HELX_P HELX_P15 15 ILE A 392 ? LYS A 402 ? ILE A 392 LYS A 402 1 ? 11 HELX_P HELX_P16 16 THR A 414 ? ASN A 419 ? THR A 414 ASN A 419 1 ? 6 HELX_P HELX_P17 17 ASP A 432 ? HIS A 444 ? ASP A 432 HIS A 444 1 ? 13 HELX_P HELX_P18 18 GLY A 448 ? CYS A 456 ? GLY A 448 CYS A 456 1 ? 9 HELX_P HELX_P19 19 THR A 463 ? LYS A 472 ? THR A 463 LYS A 472 1 ? 10 HELX_P HELX_P20 20 ASN A 473 ? LYS A 485 ? ASN A 473 LYS A 485 1 ? 13 HELX_P HELX_P21 21 ASP A 491 ? ALA A 498 ? ASP A 491 ALA A 498 1 ? 8 HELX_P HELX_P22 22 GLY A 508 ? GLY A 525 ? GLY A 508 GLY A 525 1 ? 18 HELX_P HELX_P23 23 THR A 537 ? GLN A 545 ? THR A 537 GLN A 545 1 ? 9 HELX_P HELX_P24 24 SER A 548 ? ASN A 556 ? SER A 548 ASN A 556 1 ? 9 HELX_P HELX_P25 25 SER A 580 ? VAL A 582 ? SER A 580 VAL A 582 5 ? 3 HELX_P HELX_P26 26 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 ? ? ? ? ? ? ? 1.618 ? disulf2 disulf ? ? A CYS 15 SG ? ? ? 1_555 A CYS 28 SG ? ? A CYS 15 A CYS 28 1_555 ? ? ? ? ? ? ? 2.036 ? disulf3 disulf ? ? A CYS 129 SG ? ? ? 1_555 A CYS 139 SG ? ? A CYS 129 A CYS 139 1_555 ? ? ? ? ? ? ? 2.375 ? disulf4 disulf ? ? A CYS 133 SG ? ? ? 1_555 A CYS 157 SG ? ? A CYS 133 A CYS 157 1_555 ? ? ? ? ? ? ? 2.103 ? disulf5 disulf ? ? A CYS 237 SG ? ? ? 1_555 A CYS 248 SG ? ? A CYS 237 A CYS 248 1_555 ? ? ? ? ? ? ? 2.040 ? disulf6 disulf ? ? A CYS 456 SG ? ? ? 1_555 A CYS 513 SG ? ? A CYS 456 A CYS 513 1_555 ? ? ? ? ? ? ? 2.025 ? disulf7 disulf ? ? A CYS 554 SG ? ? ? 1_555 A CYS 579 SG ? ? A CYS 554 A CYS 579 1_555 ? ? ? ? ? ? ? 2.031 ? covale1 covale ? ? A PRO 197 C ? ? ? 1_555 A SEP 198 N ? ? A PRO 197 A SEP 198 1_555 ? ? ? ? ? ? ? 1.343 ? covale2 covale ? ? A SEP 198 C ? ? ? 1_555 A LEU 199 N ? ? A SEP 198 A LEU 199 1_555 ? ? ? ? ? ? ? 1.282 ? metalc1 metalc ? ? A ASP 110 O ? ? ? 1_555 C CA . CA ? ? A ASP 110 A CA 606 1_555 ? ? ? ? ? ? ? 2.272 ? metalc2 metalc ? ? A ASP 110 OD1 ? ? ? 1_555 C CA . CA ? ? A ASP 110 A CA 606 1_555 ? ? ? ? ? ? ? 2.658 ? metalc3 metalc ? ? A THR 184 O ? ? ? 1_555 C CA . CA ? ? A THR 184 A CA 606 1_555 ? ? ? ? ? ? ? 2.533 ? metalc4 metalc ? ? A THR 184 OG1 ? ? ? 1_555 C CA . CA ? ? A THR 184 A CA 606 1_555 ? ? ? ? ? ? ? 2.499 ? metalc5 metalc ? ? A PHE 186 O ? ? ? 1_555 C CA . CA ? ? A PHE 186 A CA 606 1_555 ? ? ? ? ? ? ? 2.284 ? metalc6 metalc ? ? A ASP 188 OD1 ? ? ? 1_555 C CA . CA ? ? A ASP 188 A CA 606 1_555 ? ? ? ? ? ? ? 2.746 ? metalc7 metalc ? ? A SER 190 OG ? ? ? 1_555 C CA . CA ? ? A SER 190 A CA 606 1_555 ? ? ? ? ? ? ? 2.485 ? covale3 covale ? ? A ASN 205 ND2 ? ? ? 1_555 H NAG . C1 ? ? A ASN 205 A NAG 599 1_555 ? ? ? ? ? ? ? 1.443 ? covale4 covale ? ? A ASN 332 ND2 ? ? ? 1_555 M NAG . C1 ? ? A ASN 332 A NAG 604 1_555 ? ? ? ? ? ? ? 1.471 ? metalc8 metalc ? ? A HIS 351 NE2 ? ? ? 1_555 B HEM . FE ? ? A HIS 351 A HEM 605 1_555 ? ? ? ? ? ? ? 2.112 ? covale5 covale ? ? E NDG . O4 ? ? ? 1_555 F NAG . C1 ? ? A NDG 596 A NAG 597 1_555 ? ? ? ? ? ? ? 1.401 ? covale6 covale ? ? F NAG . O4 ? ? ? 1_555 G MAN . C1 ? ? A NAG 597 A MAN 598 1_555 ? ? ? ? ? ? ? 1.428 ? covale7 covale ? ? H NAG . O4 ? ? ? 1_555 I NAG . C1 ? ? A NAG 599 A NAG 600 1_555 ? ? ? ? ? ? ? 1.387 ? covale8 covale ? ? J NDG . O4 ? ? ? 1_555 K NAG . C1 ? ? A NDG 601 A NAG 602 1_555 ? ? ? ? ? ? ? 1.379 ? covale9 covale ? ? K NAG . O4 ? ? ? 1_555 L MAN . C1 ? ? A NAG 602 A MAN 603 1_555 ? ? ? ? ? ? ? 1.380 ? covale10 covale ? ? M NAG . O4 ? ? ? 1_555 N NAG . C1 ? ? A NAG 604 A NAG 607 1_555 ? ? ? ? ? ? ? 1.390 ? covale11 covale ? ? A ASN 241 ND2 ? ? ? 1_555 J NDG . C1 ? ? A ASN 241 A NDG 601 1_555 ? ? ? ? ? ? ? 1.420 ? covale12 covale ? ? A ASN 95 ND2 ? ? ? 1_555 E NDG . C1 ? ? A ASN 95 A NDG 596 1_555 ? ? ? ? ? ? ? 1.460 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? metalc ? ? # _struct_mon_prot_cis.pdbx_id 1 _struct_mon_prot_cis.label_comp_id LYS _struct_mon_prot_cis.label_seq_id 233 _struct_mon_prot_cis.label_asym_id A _struct_mon_prot_cis.label_alt_id . _struct_mon_prot_cis.pdbx_PDB_ins_code ? _struct_mon_prot_cis.auth_comp_id LYS _struct_mon_prot_cis.auth_seq_id 233 _struct_mon_prot_cis.auth_asym_id A _struct_mon_prot_cis.pdbx_label_comp_id_2 PRO _struct_mon_prot_cis.pdbx_label_seq_id_2 234 _struct_mon_prot_cis.pdbx_label_asym_id_2 A _struct_mon_prot_cis.pdbx_PDB_ins_code_2 ? _struct_mon_prot_cis.pdbx_auth_comp_id_2 PRO _struct_mon_prot_cis.pdbx_auth_seq_id_2 234 _struct_mon_prot_cis.pdbx_auth_asym_id_2 A _struct_mon_prot_cis.pdbx_PDB_model_num 1 _struct_mon_prot_cis.pdbx_omega_angle 1.11 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details A ? 2 ? B ? 2 ? C ? 2 ? D ? 2 ? E ? 2 ? F ? 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 A 1 2 ? anti-parallel B 1 2 ? anti-parallel C 1 2 ? anti-parallel D 1 2 ? anti-parallel E 1 2 ? anti-parallel F 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 A 1 ARG A 41 ? ALA A 42 ? ARG A 41 ALA A 42 A 2 ILE A 180 ? ASN A 181 ? ILE A 180 ASN A 181 B 1 LEU A 92 ? SER A 97 ? LEU A 92 SER A 97 B 2 LYS A 403 ? LYS A 405 ? LYS A 403 LYS A 405 C 1 ILE A 142 ? MET A 143 ? ILE A 142 MET A 143 C 2 CYS A 157 ? MET A 158 ? CYS A 157 MET A 158 D 1 THR A 357 ? VAL A 358 ? THR A 357 VAL A 358 D 2 LEU A 374 ? PRO A 375 ? LEU A 374 PRO A 375 E 1 LEU A 421 ? PHE A 422 ? LEU A 421 PHE A 422 E 2 HIS A 429 ? PHE A 431 ? HIS A 429 PHE A 431 F 1 LYS A 561 ? PRO A 563 ? LYS A 561 PRO A 563 F 2 PHE A 576 ? ASP A 578 ? PHE A 576 ASP A 578 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id A 1 2 N ARG A 41 ? N ARG A 41 O ASN A 181 ? O ASN A 181 B 1 2 N ASP A 93 ? N ASP A 93 O SER A 404 ? O SER A 404 C 1 2 N ILE A 142 ? N ILE A 142 O MET A 158 ? O MET A 158 D 1 2 N VAL A 358 ? N VAL A 358 O LEU A 374 ? O LEU A 374 E 1 2 N LEU A 421 ? N LEU A 421 O PHE A 431 ? O PHE A 431 F 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 ? ? ? ? 21 'BINDING SITE FOR RESIDUE HEM A 605' AC2 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE CA A 606' AC3 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE SCN A 615' AC4 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE NDG A 596' AC5 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE NAG A 597' AC6 Software ? ? ? ? 1 'BINDING SITE FOR RESIDUE MAN A 598' AC7 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE NAG A 599' AC8 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE NAG A 600' AC9 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE NDG A 601' BC1 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE NAG A 602' BC2 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE MAN A 603' BC3 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE NAG A 604' BC4 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE NAG A 607' BC5 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE IOD A 608' BC6 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE IOD A 609' BC7 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE IOD A 610' BC8 Software ? ? ? ? 1 'BINDING SITE FOR RESIDUE IOD A 612' BC9 Software ? ? ? ? 1 'BINDING SITE FOR RESIDUE IOD A 613' CC1 Software ? ? ? ? 1 'BINDING SITE FOR RESIDUE IOD A 614' # 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 21 MET A 101 ? MET A 101 . ? 1_555 ? 2 AC1 21 GLY A 104 ? GLY A 104 . ? 1_555 ? 3 AC1 21 GLN A 105 ? GLN A 105 . ? 1_555 ? 4 AC1 21 ASP A 108 ? ASP A 108 . ? 1_555 ? 5 AC1 21 ASP A 112 ? ASP A 112 . ? 1_555 ? 6 AC1 21 PHE A 113 ? PHE A 113 . ? 1_555 ? 7 AC1 21 ALA A 114 ? ALA A 114 . ? 1_555 ? 8 AC1 21 ARG A 255 ? ARG A 255 . ? 1_555 ? 9 AC1 21 GLU A 258 ? GLU A 258 . ? 1_555 ? 10 AC1 21 GLN A 259 ? GLN A 259 . ? 1_555 ? 11 AC1 21 PHE A 347 ? PHE A 347 . ? 1_555 ? 12 AC1 21 ARG A 348 ? ARG A 348 . ? 1_555 ? 13 AC1 21 HIS A 351 ? HIS A 351 . ? 1_555 ? 14 AC1 21 VAL A 354 ? VAL A 354 . ? 1_555 ? 15 AC1 21 LEU A 417 ? LEU A 417 . ? 1_555 ? 16 AC1 21 GLN A 423 ? GLN A 423 . ? 1_555 ? 17 AC1 21 LEU A 433 ? LEU A 433 . ? 1_555 ? 18 AC1 21 ILE A 436 ? ILE A 436 . ? 1_555 ? 19 AC1 21 ARG A 440 ? ARG A 440 . ? 1_555 ? 20 AC1 21 HOH V . ? HOH A 616 . ? 1_555 ? 21 AC1 21 HOH V . ? HOH A 855 . ? 1_555 ? 22 AC2 5 ASP A 110 ? ASP A 110 . ? 1_555 ? 23 AC2 5 THR A 184 ? THR A 184 . ? 1_555 ? 24 AC2 5 PHE A 186 ? PHE A 186 . ? 1_555 ? 25 AC2 5 ASP A 188 ? ASP A 188 . ? 1_555 ? 26 AC2 5 SER A 190 ? SER A 190 . ? 1_555 ? 27 AC3 2 ARG A 202 ? ARG A 202 . ? 1_555 ? 28 AC3 2 LYS A 474 ? LYS A 474 . ? 1_455 ? 29 AC4 5 ASN A 95 ? ASN A 95 . ? 1_555 ? 30 AC4 5 ARG A 504 ? ARG A 504 . ? 1_555 ? 31 AC4 5 GLN A 568 ? GLN A 568 . ? 1_555 ? 32 AC4 5 NAG F . ? NAG A 597 . ? 1_555 ? 33 AC4 5 HOH V . ? HOH A 895 . ? 1_555 ? 34 AC5 3 ARG A 504 ? ARG A 504 . ? 1_555 ? 35 AC5 3 NDG E . ? NDG A 596 . ? 1_555 ? 36 AC5 3 MAN G . ? MAN A 598 . ? 1_555 ? 37 AC6 1 NAG F . ? NAG A 597 . ? 1_555 ? 38 AC7 6 ASN A 205 ? ASN A 205 . ? 1_555 ? 39 AC7 6 LEU A 212 ? LEU A 212 . ? 1_555 ? 40 AC7 6 ALA A 214 ? ALA A 214 . ? 1_555 ? 41 AC7 6 VAL A 215 ? VAL A 215 . ? 1_555 ? 42 AC7 6 GLN A 217 ? GLN A 217 . ? 1_555 ? 43 AC7 6 NAG I . ? NAG A 600 . ? 1_555 ? 44 AC8 3 GLN A 217 ? GLN A 217 . ? 1_555 ? 45 AC8 3 NAG H . ? NAG A 599 . ? 1_555 ? 46 AC8 3 HOH V . ? HOH A 835 . ? 1_555 ? 47 AC9 5 ASN A 241 ? ASN A 241 . ? 1_555 ? 48 AC9 5 ALA A 244 ? ALA A 244 . ? 1_555 ? 49 AC9 5 TRP A 384 ? TRP A 384 . ? 1_555 ? 50 AC9 5 LYS A 388 ? LYS A 388 . ? 1_555 ? 51 AC9 5 NAG K . ? NAG A 602 . ? 1_555 ? 52 BC1 3 NDG J . ? NDG A 601 . ? 1_555 ? 53 BC1 3 MAN L . ? MAN A 603 . ? 1_555 ? 54 BC1 3 HOH V . ? HOH A 755 . ? 1_555 ? 55 BC2 2 NAG K . ? NAG A 602 . ? 1_555 ? 56 BC2 2 HOH V . ? HOH A 659 . ? 1_555 ? 57 BC3 4 ASN A 332 ? ASN A 332 . ? 1_555 ? 58 BC3 4 NAG N . ? NAG A 607 . ? 1_555 ? 59 BC3 4 HOH V . ? HOH A 854 . ? 1_555 ? 60 BC3 4 HOH V . ? HOH A 893 . ? 1_555 ? 61 BC4 2 NAG M . ? NAG A 604 . ? 1_555 ? 62 BC4 2 HOH V . ? HOH A 904 . ? 1_555 ? 63 BC5 3 TRP A 46 ? TRP A 46 . ? 1_555 ? 64 BC5 3 VAL A 342 ? VAL A 342 . ? 1_555 ? 65 BC5 3 TRP A 452 ? TRP A 452 . ? 1_555 ? 66 BC6 2 ASN A 80 ? ASN A 80 . ? 1_555 ? 67 BC6 2 PRO A 145 ? PRO A 145 . ? 1_555 ? 68 BC7 2 PRO A 424 ? PRO A 424 . ? 1_555 ? 69 BC7 2 HOH V . ? HOH A 717 . ? 1_555 ? 70 BC8 1 THR A 560 ? THR A 560 . ? 1_555 ? 71 BC9 1 PHE A 229 ? PHE A 229 . ? 1_555 ? 72 CC1 1 HIS A 377 ? HIS A 377 . ? 1_555 ? # _database_PDB_matrix.entry_id 3GC1 _database_PDB_matrix.origx[1][1] 1.000000 _database_PDB_matrix.origx[1][2] 0.000000 _database_PDB_matrix.origx[1][3] 0.000000 _database_PDB_matrix.origx[2][1] 0.000000 _database_PDB_matrix.origx[2][2] 1.000000 _database_PDB_matrix.origx[2][3] 0.000000 _database_PDB_matrix.origx[3][1] 0.000000 _database_PDB_matrix.origx[3][2] 0.000000 _database_PDB_matrix.origx[3][3] 1.000000 _database_PDB_matrix.origx_vector[1] 0.00000 _database_PDB_matrix.origx_vector[2] 0.00000 _database_PDB_matrix.origx_vector[3] 0.00000 # _atom_sites.entry_id 3GC1 _atom_sites.fract_transf_matrix[1][1] 0.018639 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.003877 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.012390 _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] 0.013496 _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 ? 8.367 -32.111 34.679 1.00 99.54 ? 1 SER A N 1 ATOM 2 C CA . SER A 1 1 ? 9.041 -30.840 34.304 1.00 99.47 ? 1 SER A CA 1 ATOM 3 C C . SER A 1 1 ? 7.909 -29.829 33.977 1.00 99.78 ? 1 SER A C 1 ATOM 4 O O . SER A 1 1 ? 8.155 -28.687 33.557 1.00 99.82 ? 1 SER A O 1 ATOM 5 C CB . SER A 1 1 ? 9.997 -31.179 33.169 1.00 99.37 ? 1 SER A CB 1 ATOM 6 O OG . SER A 1 1 ? 10.476 -32.502 33.417 1.00 97.26 ? 1 SER A OG 1 ATOM 7 N N . TRP A 1 2 ? 6.690 -30.340 34.229 1.00 100.00 ? 2 TRP A N 1 ATOM 8 C CA . TRP A 1 2 ? 5.308 -29.795 34.189 1.00 100.00 ? 2 TRP A CA 1 ATOM 9 C C . TRP A 1 2 ? 4.317 -28.959 33.441 1.00 99.95 ? 2 TRP A C 1 ATOM 10 O O . TRP A 1 2 ? 3.868 -29.176 32.312 1.00 100.00 ? 2 TRP A O 1 ATOM 11 C CB . TRP A 1 2 ? 4.956 -29.252 35.567 1.00 100.00 ? 2 TRP A CB 1 ATOM 12 C CG . TRP A 1 2 ? 4.907 -30.206 36.560 1.00 100.00 ? 2 TRP A CG 1 ATOM 13 C CD1 . TRP A 1 2 ? 3.847 -30.552 37.361 1.00 100.00 ? 2 TRP A CD1 1 ATOM 14 C CD2 . TRP A 1 2 ? 6.045 -30.783 37.114 1.00 100.00 ? 2 TRP A CD2 1 ATOM 15 N NE1 . TRP A 1 2 ? 4.301 -31.307 38.422 1.00 100.00 ? 2 TRP A NE1 1 ATOM 16 C CE2 . TRP A 1 2 ? 5.659 -31.454 38.286 1.00 100.00 ? 2 TRP A CE2 1 ATOM 17 C CE3 . TRP A 1 2 ? 7.383 -30.783 36.740 1.00 100.00 ? 2 TRP A CE3 1 ATOM 18 C CZ2 . TRP A 1 2 ? 6.584 -32.114 39.086 1.00 100.00 ? 2 TRP A CZ2 1 ATOM 19 C CZ3 . TRP A 1 2 ? 8.282 -31.419 37.503 1.00 99.93 ? 2 TRP A CZ3 1 ATOM 20 C CH2 . TRP A 1 2 ? 7.897 -32.083 38.673 1.00 100.00 ? 2 TRP A CH2 1 ATOM 21 N N . GLU A 1 3 ? 3.801 -28.148 34.379 1.00 100.00 ? 3 GLU A N 1 ATOM 22 C CA . GLU A 1 3 ? 2.744 -27.189 34.299 1.00 100.00 ? 3 GLU A CA 1 ATOM 23 C C . GLU A 1 3 ? 2.159 -27.147 32.953 1.00 100.00 ? 3 GLU A C 1 ATOM 24 O O . GLU A 1 3 ? 2.659 -26.563 31.988 1.00 99.84 ? 3 GLU A O 1 ATOM 25 C CB . GLU A 1 3 ? 3.146 -25.841 34.909 1.00 100.00 ? 3 GLU A CB 1 ATOM 26 C CG . GLU A 1 3 ? 2.603 -25.770 36.350 1.00 100.00 ? 3 GLU A CG 1 ATOM 27 C CD . GLU A 1 3 ? 1.565 -26.877 36.668 1.00 99.90 ? 3 GLU A CD 1 ATOM 28 O OE1 . GLU A 1 3 ? 1.953 -27.971 37.140 1.00 99.80 ? 3 GLU A OE1 1 ATOM 29 O OE2 . GLU A 1 3 ? 0.358 -26.666 36.419 1.00 99.82 ? 3 GLU A OE2 1 ATOM 30 N N . VAL A 1 4 ? 1.081 -27.912 32.948 1.00 100.00 ? 4 VAL A N 1 ATOM 31 C CA . VAL A 1 4 ? 0.262 -28.220 31.816 1.00 99.75 ? 4 VAL A CA 1 ATOM 32 C C . VAL A 1 4 ? -0.798 -27.247 31.338 1.00 99.42 ? 4 VAL A C 1 ATOM 33 O O . VAL A 1 4 ? -0.917 -27.027 30.145 1.00 99.65 ? 4 VAL A O 1 ATOM 34 C CB . VAL A 1 4 ? -0.389 -29.561 32.066 1.00 100.00 ? 4 VAL A CB 1 ATOM 35 C CG1 . VAL A 1 4 ? -0.085 -30.465 30.933 1.00 100.00 ? 4 VAL A CG1 1 ATOM 36 C CG2 . VAL A 1 4 ? 0.114 -30.166 33.380 1.00 99.99 ? 4 VAL A CG2 1 ATOM 37 N N . GLY A 1 5 ? -1.575 -26.669 32.244 1.00 98.82 ? 5 GLY A N 1 ATOM 38 C CA . GLY A 1 5 ? -2.594 -25.742 31.791 1.00 97.39 ? 5 GLY A CA 1 ATOM 39 C C . GLY A 1 5 ? -3.187 -24.813 32.830 1.00 96.39 ? 5 GLY A C 1 ATOM 40 O O . GLY A 1 5 ? -4.159 -25.186 33.494 1.00 96.73 ? 5 GLY A O 1 ATOM 41 N N . CYS A 1 6 ? -2.569 -23.651 33.042 1.00 95.05 ? 6 CYS A N 1 ATOM 42 C CA . CYS A 1 6 ? -3.139 -22.665 33.961 1.00 93.82 ? 6 CYS A CA 1 ATOM 43 C C . CYS A 1 6 ? -3.574 -21.681 32.922 1.00 94.15 ? 6 CYS A C 1 ATOM 44 O O . CYS A 1 6 ? -2.750 -20.998 32.327 1.00 93.76 ? 6 CYS A O 1 ATOM 45 C CB . CYS A 1 6 ? -2.111 -21.932 34.825 1.00 92.30 ? 6 CYS A CB 1 ATOM 46 S SG . CYS A 1 6 ? -2.615 -21.418 36.546 1.00 90.21 ? 6 CYS A SG 1 ATOM 47 N N . GLY A 1 7 ? -4.867 -21.635 32.664 1.00 95.15 ? 7 GLY A N 1 ATOM 48 C CA . GLY A 1 7 ? -5.426 -20.756 31.636 1.00 95.73 ? 7 GLY A CA 1 ATOM 49 C C . GLY A 1 7 ? -6.695 -20.215 32.239 1.00 96.12 ? 7 GLY A C 1 ATOM 50 O O . GLY A 1 7 ? -7.791 -20.353 31.684 1.00 95.85 ? 7 GLY A O 1 ATOM 51 N N . ALA A 1 8 ? -6.552 -19.583 33.403 1.00 96.94 ? 8 ALA A N 1 ATOM 52 C CA . ALA A 1 8 ? -7.616 -18.935 34.193 1.00 97.46 ? 8 ALA A CA 1 ATOM 53 C C . ALA A 1 8 ? -8.090 -17.515 33.647 1.00 97.86 ? 8 ALA A C 1 ATOM 54 O O . ALA A 1 8 ? -9.129 -17.472 32.985 1.00 97.64 ? 8 ALA A O 1 ATOM 55 C CB . ALA A 1 8 ? -7.146 -18.756 35.618 1.00 96.83 ? 8 ALA A CB 1 ATOM 56 N N . PRO A 1 9 ? -7.313 -16.342 33.880 1.00 98.61 ? 9 PRO A N 1 ATOM 57 C CA . PRO A 1 9 ? -7.665 -14.995 33.341 1.00 98.83 ? 9 PRO A CA 1 ATOM 58 C C . PRO A 1 9 ? -7.889 -14.854 31.825 1.00 99.26 ? 9 PRO A C 1 ATOM 59 O O . PRO A 1 9 ? -7.200 -14.138 31.115 1.00 99.63 ? 9 PRO A O 1 ATOM 60 C CB . PRO A 1 9 ? -6.670 -14.025 33.952 1.00 98.80 ? 9 PRO A CB 1 ATOM 61 C CG . PRO A 1 9 ? -6.541 -14.554 35.312 1.00 99.01 ? 9 PRO A CG 1 ATOM 62 C CD . PRO A 1 9 ? -6.929 -15.981 35.273 1.00 98.82 ? 9 PRO A CD 1 ATOM 63 N N . VAL A 1 10 ? -8.883 -15.584 31.434 1.00 99.65 ? 10 VAL A N 1 ATOM 64 C CA . VAL A 1 10 ? -9.490 -15.414 30.104 1.00 99.74 ? 10 VAL A CA 1 ATOM 65 C C . VAL A 1 10 ? -10.839 -16.092 30.148 1.00 100.00 ? 10 VAL A C 1 ATOM 66 O O . VAL A 1 10 ? -11.081 -17.120 30.777 1.00 100.00 ? 10 VAL A O 1 ATOM 67 C CB . VAL A 1 10 ? -8.856 -16.048 28.823 1.00 99.78 ? 10 VAL A CB 1 ATOM 68 C CG1 . VAL A 1 10 ? -7.339 -15.822 28.781 1.00 99.59 ? 10 VAL A CG1 1 ATOM 69 C CG2 . VAL A 1 10 ? -9.161 -17.547 28.767 1.00 99.76 ? 10 VAL A CG2 1 ATOM 70 N N . PRO A 1 11 ? -11.696 -15.378 29.451 1.00 100.00 ? 11 PRO A N 1 ATOM 71 C CA . PRO A 1 11 ? -13.038 -15.889 29.135 1.00 99.98 ? 11 PRO A CA 1 ATOM 72 C C . PRO A 1 11 ? -12.849 -17.021 28.116 1.00 100.00 ? 11 PRO A C 1 ATOM 73 O O . PRO A 1 11 ? -12.135 -16.776 27.131 1.00 100.00 ? 11 PRO A O 1 ATOM 74 C CB . PRO A 1 11 ? -13.755 -14.655 28.612 1.00 99.94 ? 11 PRO A CB 1 ATOM 75 C CG . PRO A 1 11 ? -13.221 -13.599 29.531 1.00 99.85 ? 11 PRO A CG 1 ATOM 76 C CD . PRO A 1 11 ? -11.891 -14.074 30.091 1.00 100.00 ? 11 PRO A CD 1 ATOM 77 N N . LEU A 1 12 ? -13.420 -18.188 28.218 1.00 99.68 ? 12 LEU A N 1 ATOM 78 C CA . LEU A 1 12 ? -13.097 -19.221 27.217 1.00 98.90 ? 12 LEU A CA 1 ATOM 79 C C . LEU A 1 12 ? -13.646 -18.938 25.812 1.00 97.87 ? 12 LEU A C 1 ATOM 80 O O . LEU A 1 12 ? -13.505 -19.822 24.980 1.00 97.65 ? 12 LEU A O 1 ATOM 81 C CB . LEU A 1 12 ? -13.782 -20.570 27.641 1.00 99.65 ? 12 LEU A CB 1 ATOM 82 C CG . LEU A 1 12 ? -12.957 -21.657 28.286 1.00 99.92 ? 12 LEU A CG 1 ATOM 83 C CD1 . LEU A 1 12 ? -11.840 -22.121 27.364 1.00 100.00 ? 12 LEU A CD1 1 ATOM 84 C CD2 . LEU A 1 12 ? -12.381 -21.152 29.598 1.00 99.51 ? 12 LEU A CD2 1 ATOM 85 N N . VAL A 1 13 ? -14.252 -17.848 25.436 1.00 96.03 ? 13 VAL A N 1 ATOM 86 C CA . VAL A 1 13 ? -14.977 -18.152 24.201 1.00 93.70 ? 13 VAL A CA 1 ATOM 87 C C . VAL A 1 13 ? -14.136 -18.447 22.893 1.00 91.35 ? 13 VAL A C 1 ATOM 88 O O . VAL A 1 13 ? -13.379 -17.607 22.394 1.00 91.26 ? 13 VAL A O 1 ATOM 89 C CB . VAL A 1 13 ? -16.209 -17.210 24.144 1.00 94.25 ? 13 VAL A CB 1 ATOM 90 C CG1 . VAL A 1 13 ? -17.167 -17.559 25.276 1.00 93.94 ? 13 VAL A CG1 1 ATOM 91 C CG2 . VAL A 1 13 ? -15.788 -15.760 24.209 1.00 94.12 ? 13 VAL A CG2 1 ATOM 92 N N . LYS A 1 14 ? -14.368 -19.729 22.372 1.00 88.09 ? 14 LYS A N 1 ATOM 93 C CA . LYS A 1 14 ? -13.775 -20.443 21.136 1.00 84.72 ? 14 LYS A CA 1 ATOM 94 C C . LYS A 1 14 ? -13.997 -19.844 19.757 1.00 82.35 ? 14 LYS A C 1 ATOM 95 O O . LYS A 1 14 ? -14.739 -18.882 19.576 1.00 82.69 ? 14 LYS A O 1 ATOM 96 C CB . LYS A 1 14 ? -14.173 -21.931 21.145 1.00 84.29 ? 14 LYS A CB 1 ATOM 97 C CG . LYS A 1 14 ? -13.245 -22.812 20.279 1.00 83.70 ? 14 LYS A CG 1 ATOM 98 C CD . LYS A 1 14 ? -11.766 -22.478 20.492 1.00 82.32 ? 14 LYS A CD 1 ATOM 99 C CE . LYS A 1 14 ? -10.917 -23.025 19.361 1.00 82.28 ? 14 LYS A CE 1 ATOM 100 N NZ . LYS A 1 14 ? -10.788 -24.510 19.424 1.00 81.89 ? 14 LYS A NZ 1 ATOM 101 N N . CYS A 1 15 ? -13.328 -20.453 18.765 1.00 78.90 ? 15 CYS A N 1 ATOM 102 C CA . CYS A 1 15 ? -13.206 -19.967 17.389 1.00 76.02 ? 15 CYS A CA 1 ATOM 103 C C . CYS A 1 15 ? -14.219 -19.945 16.241 1.00 77.62 ? 15 CYS A C 1 ATOM 104 O O . CYS A 1 15 ? -15.335 -20.479 16.281 1.00 78.08 ? 15 CYS A O 1 ATOM 105 C CB . CYS A 1 15 ? -11.879 -20.508 16.823 1.00 70.34 ? 15 CYS A CB 1 ATOM 106 S SG . CYS A 1 15 ? -10.445 -20.058 17.866 1.00 64.11 ? 15 CYS A SG 1 ATOM 107 N N . ASP A 1 16 ? -13.709 -19.305 15.192 1.00 80.12 ? 16 ASP A N 1 ATOM 108 C CA . ASP A 1 16 ? -14.358 -19.008 13.921 1.00 82.54 ? 16 ASP A CA 1 ATOM 109 C C . ASP A 1 16 ? -13.493 -19.603 12.817 1.00 83.59 ? 16 ASP A C 1 ATOM 110 O O . ASP A 1 16 ? -12.472 -19.019 12.455 1.00 83.74 ? 16 ASP A O 1 ATOM 111 C CB . ASP A 1 16 ? -14.375 -17.485 13.799 1.00 83.55 ? 16 ASP A CB 1 ATOM 112 C CG . ASP A 1 16 ? -13.289 -16.822 14.666 1.00 83.60 ? 16 ASP A CG 1 ATOM 113 O OD1 . ASP A 1 16 ? -13.112 -17.234 15.834 1.00 83.87 ? 16 ASP A OD1 1 ATOM 114 O OD2 . ASP A 1 16 ? -12.634 -15.878 14.187 1.00 83.92 ? 16 ASP A OD2 1 ATOM 115 N N . GLU A 1 17 ? -13.911 -20.634 12.115 1.00 84.34 ? 17 GLU A N 1 ATOM 116 C CA . GLU A 1 17 ? -12.984 -21.137 11.083 1.00 85.66 ? 17 GLU A CA 1 ATOM 117 C C . GLU A 1 17 ? -12.710 -20.349 9.722 1.00 85.62 ? 17 GLU A C 1 ATOM 118 O O . GLU A 1 17 ? -12.057 -20.951 8.856 1.00 85.56 ? 17 GLU A O 1 ATOM 119 C CB . GLU A 1 17 ? -13.250 -22.668 10.958 1.00 86.06 ? 17 GLU A CB 1 ATOM 120 C CG . GLU A 1 17 ? -13.148 -23.539 12.288 1.00 86.60 ? 17 GLU A CG 1 ATOM 121 C CD . GLU A 1 17 ? -11.722 -23.923 12.768 1.00 87.19 ? 17 GLU A CD 1 ATOM 122 O OE1 . GLU A 1 17 ? -11.602 -24.812 13.646 1.00 86.59 ? 17 GLU A OE1 1 ATOM 123 O OE2 . GLU A 1 17 ? -10.741 -23.333 12.267 1.00 86.91 ? 17 GLU A OE2 1 ATOM 124 N N . ASN A 1 18 ? -13.141 -19.113 9.506 1.00 84.68 ? 18 ASN A N 1 ATOM 125 C CA . ASN A 1 18 ? -12.688 -18.342 8.328 1.00 83.09 ? 18 ASN A CA 1 ATOM 126 C C . ASN A 1 18 ? -12.170 -17.056 8.897 1.00 81.89 ? 18 ASN A C 1 ATOM 127 O O . ASN A 1 18 ? -10.991 -16.793 9.120 1.00 81.55 ? 18 ASN A O 1 ATOM 128 C CB . ASN A 1 18 ? -13.912 -17.843 7.480 1.00 83.09 ? 18 ASN A CB 1 ATOM 129 C CG . ASN A 1 18 ? -13.768 -17.603 5.959 1.00 82.94 ? 18 ASN A CG 1 ATOM 130 O OD1 . ASN A 1 18 ? -14.757 -17.683 5.240 1.00 83.13 ? 18 ASN A OD1 1 ATOM 131 N ND2 . ASN A 1 18 ? -12.549 -17.310 5.497 1.00 82.72 ? 18 ASN A ND2 1 ATOM 132 N N . SER A 1 19 ? -13.280 -16.266 9.198 1.00 80.92 ? 19 SER A N 1 ATOM 133 C CA . SER A 1 19 ? -13.369 -14.878 9.744 1.00 79.38 ? 19 SER A CA 1 ATOM 134 C C . SER A 1 19 ? -12.206 -14.240 9.200 1.00 77.64 ? 19 SER A C 1 ATOM 135 O O . SER A 1 19 ? -11.194 -13.945 9.835 1.00 79.22 ? 19 SER A O 1 ATOM 136 C CB . SER A 1 19 ? -13.316 -14.797 11.279 1.00 79.59 ? 19 SER A CB 1 ATOM 137 O OG . SER A 1 19 ? -12.992 -13.488 11.723 1.00 79.88 ? 19 SER A OG 1 ATOM 138 N N . PRO A 1 20 ? -12.416 -14.018 7.957 1.00 74.97 ? 20 PRO A N 1 ATOM 139 C CA . PRO A 1 20 ? -11.319 -13.657 7.081 1.00 72.17 ? 20 PRO A CA 1 ATOM 140 C C . PRO A 1 20 ? -10.189 -12.671 7.488 1.00 69.27 ? 20 PRO A C 1 ATOM 141 O O . PRO A 1 20 ? -9.185 -12.581 6.770 1.00 69.19 ? 20 PRO A O 1 ATOM 142 C CB . PRO A 1 20 ? -12.066 -13.370 5.792 1.00 72.62 ? 20 PRO A CB 1 ATOM 143 C CG . PRO A 1 20 ? -13.140 -14.420 5.825 1.00 73.85 ? 20 PRO A CG 1 ATOM 144 C CD . PRO A 1 20 ? -13.476 -14.745 7.241 1.00 74.28 ? 20 PRO A CD 1 ATOM 145 N N . TYR A 1 21 ? -10.298 -11.961 8.614 1.00 65.63 ? 21 TYR A N 1 ATOM 146 C CA . TYR A 1 21 ? -9.315 -10.984 9.144 1.00 61.94 ? 21 TYR A CA 1 ATOM 147 C C . TYR A 1 21 ? -8.943 -11.506 10.530 1.00 59.89 ? 21 TYR A C 1 ATOM 148 O O . TYR A 1 21 ? -9.694 -12.315 11.059 1.00 58.85 ? 21 TYR A O 1 ATOM 149 C CB . TYR A 1 21 ? -10.006 -9.597 9.156 1.00 60.96 ? 21 TYR A CB 1 ATOM 150 C CG . TYR A 1 21 ? -10.847 -9.330 7.889 1.00 60.92 ? 21 TYR A CG 1 ATOM 151 C CD1 . TYR A 1 21 ? -12.226 -9.590 7.789 1.00 60.38 ? 21 TYR A CD1 1 ATOM 152 C CD2 . TYR A 1 21 ? -10.193 -8.819 6.773 1.00 59.55 ? 21 TYR A CD2 1 ATOM 153 C CE1 . TYR A 1 21 ? -12.923 -9.339 6.598 1.00 59.72 ? 21 TYR A CE1 1 ATOM 154 C CE2 . TYR A 1 21 ? -10.871 -8.569 5.584 1.00 59.57 ? 21 TYR A CE2 1 ATOM 155 C CZ . TYR A 1 21 ? -12.238 -8.827 5.500 1.00 60.28 ? 21 TYR A CZ 1 ATOM 156 O OH . TYR A 1 21 ? -12.905 -8.564 4.322 1.00 60.03 ? 21 TYR A OH 1 ATOM 157 N N . ARG A 1 22 ? -7.860 -11.083 11.181 1.00 58.24 ? 22 ARG A N 1 ATOM 158 C CA . ARG A 1 22 ? -7.643 -11.646 12.533 1.00 56.49 ? 22 ARG A CA 1 ATOM 159 C C . ARG A 1 22 ? -8.730 -11.283 13.496 1.00 55.34 ? 22 ARG A C 1 ATOM 160 O O . ARG A 1 22 ? -9.559 -10.430 13.228 1.00 55.20 ? 22 ARG A O 1 ATOM 161 C CB . ARG A 1 22 ? -6.366 -11.120 13.180 1.00 55.81 ? 22 ARG A CB 1 ATOM 162 C CG . ARG A 1 22 ? -5.097 -11.517 12.459 1.00 55.82 ? 22 ARG A CG 1 ATOM 163 C CD . ARG A 1 22 ? -4.840 -10.542 11.323 1.00 56.51 ? 22 ARG A CD 1 ATOM 164 N NE . ARG A 1 22 ? -3.410 -10.263 11.165 1.00 56.12 ? 22 ARG A NE 1 ATOM 165 C CZ . ARG A 1 22 ? -2.479 -10.619 12.042 1.00 55.07 ? 22 ARG A CZ 1 ATOM 166 N NH1 . ARG A 1 22 ? -2.841 -11.238 13.155 1.00 55.23 ? 22 ARG A NH1 1 ATOM 167 N NH2 . ARG A 1 22 ? -1.191 -10.367 11.796 1.00 54.33 ? 22 ARG A NH2 1 ATOM 168 N N . THR A 1 23 ? -8.697 -11.953 14.637 1.00 53.41 ? 23 THR A N 1 ATOM 169 C CA . THR A 1 23 ? -9.562 -11.552 15.666 1.00 51.25 ? 23 THR A CA 1 ATOM 170 C C . THR A 1 23 ? -8.741 -10.461 16.294 1.00 50.98 ? 23 THR A C 1 ATOM 171 O O . THR A 1 23 ? -7.507 -10.473 16.251 1.00 48.85 ? 23 THR A O 1 ATOM 172 C CB . THR A 1 23 ? -9.820 -12.621 16.717 1.00 51.12 ? 23 THR A CB 1 ATOM 173 O OG1 . THR A 1 23 ? -8.667 -12.802 17.536 1.00 49.71 ? 23 THR A OG1 1 ATOM 174 C CG2 . THR A 1 23 ? -10.182 -13.941 16.041 1.00 51.16 ? 23 THR A CG2 1 ATOM 175 N N . ILE A 1 24 ? -9.466 -9.514 16.873 1.00 49.69 ? 24 ILE A N 1 ATOM 176 C CA . ILE A 1 24 ? -8.889 -8.391 17.565 1.00 48.35 ? 24 ILE A CA 1 ATOM 177 C C . ILE A 1 24 ? -7.912 -8.869 18.629 1.00 48.77 ? 24 ILE A C 1 ATOM 178 O O . ILE A 1 24 ? -6.821 -8.314 18.796 1.00 47.83 ? 24 ILE A O 1 ATOM 179 C CB . ILE A 1 24 ? -10.011 -7.539 18.225 1.00 47.27 ? 24 ILE A CB 1 ATOM 180 C CG1 . ILE A 1 24 ? -10.451 -6.422 17.268 1.00 47.53 ? 24 ILE A CG1 1 ATOM 181 C CG2 . ILE A 1 24 ? -9.570 -7.077 19.602 1.00 45.67 ? 24 ILE A CG2 1 ATOM 182 C CD1 . ILE A 1 24 ? -9.329 -5.668 16.619 1.00 45.65 ? 24 ILE A CD1 1 ATOM 183 N N . THR A 1 25 ? -8.313 -9.916 19.340 1.00 48.32 ? 25 THR A N 1 ATOM 184 C CA . THR A 1 25 ? -7.500 -10.456 20.415 1.00 48.51 ? 25 THR A CA 1 ATOM 185 C C . THR A 1 25 ? -6.420 -11.461 20.029 1.00 47.73 ? 25 THR A C 1 ATOM 186 O O . THR A 1 25 ? -5.751 -12.012 20.904 1.00 46.37 ? 25 THR A O 1 ATOM 187 C CB . THR A 1 25 ? -8.383 -11.103 21.498 1.00 49.30 ? 25 THR A CB 1 ATOM 188 O OG1 . THR A 1 25 ? -8.914 -12.340 21.014 1.00 50.23 ? 25 THR A OG1 1 ATOM 189 C CG2 . THR A 1 25 ? -9.514 -10.167 21.881 1.00 47.89 ? 25 THR A CG2 1 ATOM 190 N N . GLY A 1 26 ? -6.270 -11.737 18.741 1.00 47.55 ? 26 GLY A N 1 ATOM 191 C CA . GLY A 1 26 ? -5.234 -12.669 18.336 1.00 48.11 ? 26 GLY A CA 1 ATOM 192 C C . GLY A 1 26 ? -5.531 -14.154 18.480 1.00 49.00 ? 26 GLY A C 1 ATOM 193 O O . GLY A 1 26 ? -4.796 -14.977 17.924 1.00 49.07 ? 26 GLY A O 1 ATOM 194 N N . ASP A 1 27 ? -6.574 -14.516 19.231 1.00 49.15 ? 27 ASP A N 1 ATOM 195 C CA . ASP A 1 27 ? -6.920 -15.934 19.384 1.00 48.21 ? 27 ASP A CA 1 ATOM 196 C C . ASP A 1 27 ? -7.268 -16.456 18.003 1.00 47.95 ? 27 ASP A C 1 ATOM 197 O O . ASP A 1 27 ? -7.523 -15.677 17.091 1.00 46.24 ? 27 ASP A O 1 ATOM 198 C CB . ASP A 1 27 ? -8.143 -16.121 20.279 1.00 46.67 ? 27 ASP A CB 1 ATOM 199 C CG . ASP A 1 27 ? -7.863 -15.815 21.735 1.00 44.45 ? 27 ASP A CG 1 ATOM 200 O OD1 . ASP A 1 27 ? -7.381 -16.714 22.450 1.00 41.86 ? 27 ASP A OD1 1 ATOM 201 O OD2 . ASP A 1 27 ? -8.116 -14.666 22.144 1.00 45.45 ? 27 ASP A OD2 1 ATOM 202 N N . CYS A 1 28 ? -7.249 -17.774 17.850 1.00 49.23 ? 28 CYS A N 1 ATOM 203 C CA . CYS A 1 28 ? -7.595 -18.417 16.583 1.00 50.97 ? 28 CYS A CA 1 ATOM 204 C C . CYS A 1 28 ? -6.616 -18.233 15.416 1.00 50.66 ? 28 CYS A C 1 ATOM 205 O O . CYS A 1 28 ? -6.938 -18.565 14.276 1.00 49.90 ? 28 CYS A O 1 ATOM 206 C CB . CYS A 1 28 ? -9.004 -17.983 16.166 1.00 53.00 ? 28 CYS A CB 1 ATOM 207 S SG . CYS A 1 28 ? -10.213 -18.063 17.530 1.00 52.82 ? 28 CYS A SG 1 ATOM 208 N N . ASN A 1 29 ? -5.430 -17.699 15.687 1.00 51.34 ? 29 ASN A N 1 ATOM 209 C CA . ASN A 1 29 ? -4.445 -17.552 14.624 1.00 51.19 ? 29 ASN A CA 1 ATOM 210 C C . ASN A 1 29 ? -4.007 -18.990 14.444 1.00 51.81 ? 29 ASN A C 1 ATOM 211 O O . ASN A 1 29 ? -3.975 -19.507 13.319 1.00 51.52 ? 29 ASN A O 1 ATOM 212 C CB . ASN A 1 29 ? -3.268 -16.676 15.079 1.00 50.57 ? 29 ASN A CB 1 ATOM 213 C CG . ASN A 1 29 ? -2.226 -16.463 13.985 1.00 50.33 ? 29 ASN A CG 1 ATOM 214 O OD1 . ASN A 1 29 ? -1.573 -17.408 13.537 1.00 50.10 ? 29 ASN A OD1 1 ATOM 215 N ND2 . ASN A 1 29 ? -2.067 -15.215 13.555 1.00 49.22 ? 29 ASN A ND2 1 ATOM 216 N N . ASN A 1 30 ? -3.726 -19.642 15.574 1.00 51.53 ? 30 ASN A N 1 ATOM 217 C CA . ASN A 1 30 ? -3.310 -21.033 15.555 1.00 52.02 ? 30 ASN A CA 1 ATOM 218 C C . ASN A 1 30 ? -4.454 -21.982 15.875 1.00 53.57 ? 30 ASN A C 1 ATOM 219 O O . ASN A 1 30 ? -5.107 -21.879 16.917 1.00 53.56 ? 30 ASN A O 1 ATOM 220 C CB . ASN A 1 30 ? -2.148 -21.276 16.510 1.00 51.76 ? 30 ASN A CB 1 ATOM 221 C CG . ASN A 1 30 ? -1.514 -22.642 16.304 1.00 51.35 ? 30 ASN A CG 1 ATOM 222 O OD1 . ASN A 1 30 ? -1.952 -23.648 16.892 1.00 50.48 ? 30 ASN A OD1 1 ATOM 223 N ND2 . ASN A 1 30 ? -0.485 -22.693 15.444 1.00 48.67 ? 30 ASN A ND2 1 ATOM 224 N N . ARG A 1 31 ? -4.657 -22.921 14.955 1.00 55.87 ? 31 ARG A N 1 ATOM 225 C CA . ARG A 1 31 ? -5.721 -23.913 15.021 1.00 57.03 ? 31 ARG A CA 1 ATOM 226 C C . ARG A 1 31 ? -5.552 -25.079 15.998 1.00 57.35 ? 31 ARG A C 1 ATOM 227 O O . ARG A 1 31 ? -6.465 -25.370 16.767 1.00 56.74 ? 31 ARG A O 1 ATOM 228 C CB . ARG A 1 31 ? -5.984 -24.446 13.607 1.00 57.00 ? 31 ARG A CB 1 ATOM 229 C CG . ARG A 1 31 ? -6.224 -23.304 12.625 1.00 57.82 ? 31 ARG A CG 1 ATOM 230 C CD . ARG A 1 31 ? -6.619 -23.761 11.235 1.00 58.39 ? 31 ARG A CD 1 ATOM 231 N NE . ARG A 1 31 ? -7.906 -23.179 10.858 1.00 58.53 ? 31 ARG A NE 1 ATOM 232 C CZ . ARG A 1 31 ? -8.201 -22.706 9.651 1.00 58.86 ? 31 ARG A CZ 1 ATOM 233 N NH1 . ARG A 1 31 ? -7.293 -22.742 8.681 1.00 58.97 ? 31 ARG A NH1 1 ATOM 234 N NH2 . ARG A 1 31 ? -9.404 -22.189 9.420 1.00 58.65 ? 31 ARG A NH2 1 ATOM 235 N N . ARG A 1 32 ? -4.399 -25.777 15.940 1.00 58.72 ? 32 ARG A N 1 ATOM 236 C CA . ARG A 1 32 ? -4.142 -26.888 16.888 1.00 59.27 ? 32 ARG A CA 1 ATOM 237 C C . ARG A 1 32 ? -4.361 -26.302 18.322 1.00 57.26 ? 32 ARG A C 1 ATOM 238 O O . ARG A 1 32 ? -5.412 -26.578 18.886 1.00 56.78 ? 32 ARG A O 1 ATOM 239 C CB . ARG A 1 32 ? -2.770 -27.550 16.632 1.00 62.24 ? 32 ARG A CB 1 ATOM 240 C CG . ARG A 1 32 ? -2.767 -28.799 15.728 1.00 65.44 ? 32 ARG A CG 1 ATOM 241 C CD . ARG A 1 32 ? -1.331 -29.212 15.367 1.00 68.18 ? 32 ARG A CD 1 ATOM 242 N NE . ARG A 1 32 ? -1.216 -30.539 14.712 1.00 69.51 ? 32 ARG A NE 1 ATOM 243 C CZ . ARG A 1 32 ? -1.166 -31.694 15.379 1.00 69.73 ? 32 ARG A CZ 1 ATOM 244 N NH1 . ARG A 1 32 ? -1.224 -31.704 16.704 1.00 70.21 ? 32 ARG A NH1 1 ATOM 245 N NH2 . ARG A 1 32 ? -1.062 -32.840 14.719 1.00 69.37 ? 32 ARG A NH2 1 ATOM 246 N N . SER A 1 33 ? -3.481 -25.458 18.920 1.00 55.10 ? 33 SER A N 1 ATOM 247 C CA . SER A 1 33 ? -3.808 -24.830 20.271 1.00 52.28 ? 33 SER A CA 1 ATOM 248 C C . SER A 1 33 ? -4.164 -23.242 20.076 1.00 50.51 ? 33 SER A C 1 ATOM 249 O O . SER A 1 33 ? -3.276 -22.440 19.767 1.00 50.34 ? 33 SER A O 1 ATOM 250 C CB . SER A 1 33 ? -2.646 -25.048 21.233 1.00 50.93 ? 33 SER A CB 1 ATOM 251 O OG . SER A 1 33 ? -2.496 -23.943 22.113 1.00 51.02 ? 33 SER A OG 1 ATOM 252 N N . PRO A 1 34 ? -5.533 -22.841 20.274 1.00 48.89 ? 34 PRO A N 1 ATOM 253 C CA . PRO A 1 34 ? -6.124 -21.427 20.007 1.00 46.67 ? 34 PRO A CA 1 ATOM 254 C C . PRO A 1 34 ? -5.515 -20.150 20.584 1.00 45.07 ? 34 PRO A C 1 ATOM 255 O O . PRO A 1 34 ? -5.496 -19.076 19.959 1.00 44.78 ? 34 PRO A O 1 ATOM 256 C CB . PRO A 1 34 ? -7.560 -21.586 20.380 1.00 47.00 ? 34 PRO A CB 1 ATOM 257 C CG . PRO A 1 34 ? -7.868 -22.935 19.840 1.00 46.17 ? 34 PRO A CG 1 ATOM 258 C CD . PRO A 1 34 ? -6.601 -23.741 19.827 1.00 47.43 ? 34 PRO A CD 1 ATOM 259 N N . ALA A 1 35 ? -5.027 -20.336 21.789 1.00 44.03 ? 35 ALA A N 1 ATOM 260 C CA . ALA A 1 35 ? -4.525 -19.244 22.620 1.00 43.25 ? 35 ALA A CA 1 ATOM 261 C C . ALA A 1 35 ? -3.176 -18.608 22.235 1.00 41.39 ? 35 ALA A C 1 ATOM 262 O O . ALA A 1 35 ? -2.952 -17.423 22.410 1.00 38.46 ? 35 ALA A O 1 ATOM 263 C CB . ALA A 1 35 ? -4.475 -19.744 24.053 1.00 42.73 ? 35 ALA A CB 1 ATOM 264 N N . LEU A 1 36 ? -2.269 -19.455 21.748 1.00 40.56 ? 36 LEU A N 1 ATOM 265 C CA . LEU A 1 36 ? -0.862 -19.153 21.384 1.00 40.12 ? 36 LEU A CA 1 ATOM 266 C C . LEU A 1 36 ? -0.670 -17.852 20.639 1.00 39.82 ? 36 LEU A C 1 ATOM 267 O O . LEU A 1 36 ? -0.723 -17.796 19.414 1.00 39.61 ? 36 LEU A O 1 ATOM 268 C CB . LEU A 1 36 ? -0.272 -20.291 20.553 1.00 39.49 ? 36 LEU A CB 1 ATOM 269 C CG . LEU A 1 36 ? 0.798 -21.190 21.193 1.00 41.82 ? 36 LEU A CG 1 ATOM 270 C CD1 . LEU A 1 36 ? 0.326 -21.701 22.546 1.00 41.81 ? 36 LEU A CD1 1 ATOM 271 C CD2 . LEU A 1 36 ? 1.164 -22.341 20.271 1.00 39.59 ? 36 LEU A CD2 1 ATOM 272 N N . GLY A 1 37 ? -0.449 -16.813 21.429 1.00 39.75 ? 37 GLY A N 1 ATOM 273 C CA . GLY A 1 37 ? -0.210 -15.483 20.884 1.00 38.41 ? 37 GLY A CA 1 ATOM 274 C C . GLY A 1 37 ? -1.307 -14.497 21.231 1.00 38.87 ? 37 GLY A C 1 ATOM 275 O O . GLY A 1 37 ? -1.252 -13.332 20.859 1.00 39.71 ? 37 GLY A O 1 ATOM 276 N N . ALA A 1 38 ? -2.280 -14.988 21.948 1.00 37.63 ? 38 ALA A N 1 ATOM 277 C CA . ALA A 1 38 ? -3.398 -14.164 22.376 1.00 37.76 ? 38 ALA A CA 1 ATOM 278 C C . ALA A 1 38 ? -2.974 -13.235 23.502 1.00 36.54 ? 38 ALA A C 1 ATOM 279 O O . ALA A 1 38 ? -2.165 -13.573 24.374 1.00 34.81 ? 38 ALA A O 1 ATOM 280 C CB . ALA A 1 38 ? -4.573 -15.022 22.831 1.00 37.90 ? 38 ALA A CB 1 ATOM 281 N N . ALA A 1 39 ? -3.536 -12.041 23.455 1.00 36.67 ? 39 ALA A N 1 ATOM 282 C CA . ALA A 1 39 ? -3.268 -11.017 24.440 1.00 39.34 ? 39 ALA A CA 1 ATOM 283 C C . ALA A 1 39 ? -3.789 -11.522 25.761 1.00 41.03 ? 39 ALA A C 1 ATOM 284 O O . ALA A 1 39 ? -4.603 -12.444 25.797 1.00 43.33 ? 39 ALA A O 1 ATOM 285 C CB . ALA A 1 39 ? -3.972 -9.710 24.039 1.00 38.18 ? 39 ALA A CB 1 ATOM 286 N N . ASN A 1 40 ? -3.289 -10.922 26.834 1.00 42.31 ? 40 ASN A N 1 ATOM 287 C CA . ASN A 1 40 ? -3.674 -11.256 28.187 1.00 43.18 ? 40 ASN A CA 1 ATOM 288 C C . ASN A 1 40 ? -3.420 -12.695 28.585 1.00 42.53 ? 40 ASN A C 1 ATOM 289 O O . ASN A 1 40 ? -4.134 -13.246 29.426 1.00 43.71 ? 40 ASN A O 1 ATOM 290 C CB . ASN A 1 40 ? -5.130 -10.862 28.412 1.00 43.75 ? 40 ASN A CB 1 ATOM 291 C CG . ASN A 1 40 ? -5.324 -9.365 28.352 1.00 45.79 ? 40 ASN A CG 1 ATOM 292 O OD1 . ASN A 1 40 ? -4.730 -8.633 29.145 1.00 46.90 ? 40 ASN A OD1 1 ATOM 293 N ND2 . ASN A 1 40 ? -6.156 -8.896 27.417 1.00 45.24 ? 40 ASN A ND2 1 ATOM 294 N N . ARG A 1 41 ? -2.439 -13.285 27.952 1.00 42.36 ? 41 ARG A N 1 ATOM 295 C CA . ARG A 1 41 ? -1.985 -14.591 28.279 1.00 42.19 ? 41 ARG A CA 1 ATOM 296 C C . ARG A 1 41 ? -0.543 -14.353 28.719 1.00 41.09 ? 41 ARG A C 1 ATOM 297 O O . ARG A 1 41 ? -0.074 -13.206 28.673 1.00 40.23 ? 41 ARG A O 1 ATOM 298 C CB . ARG A 1 41 ? -2.103 -15.587 27.103 1.00 44.65 ? 41 ARG A CB 1 ATOM 299 C CG . ARG A 1 41 ? -3.467 -16.258 26.973 1.00 47.49 ? 41 ARG A CG 1 ATOM 300 C CD . ARG A 1 41 ? -3.498 -17.738 27.384 1.00 49.10 ? 41 ARG A CD 1 ATOM 301 N NE . ARG A 1 41 ? -4.865 -18.275 27.327 1.00 53.15 ? 41 ARG A NE 1 ATOM 302 C CZ . ARG A 1 41 ? -5.261 -19.417 27.891 1.00 53.68 ? 41 ARG A CZ 1 ATOM 303 N NH1 . ARG A 1 41 ? -4.389 -20.161 28.560 1.00 52.75 ? 41 ARG A NH1 1 ATOM 304 N NH2 . ARG A 1 41 ? -6.532 -19.806 27.773 1.00 52.59 ? 41 ARG A NH2 1 ATOM 305 N N . ALA A 1 42 ? 0.157 -15.396 29.154 1.00 38.67 ? 42 ALA A N 1 ATOM 306 C CA . ALA A 1 42 ? 1.482 -15.226 29.728 1.00 37.18 ? 42 ALA A CA 1 ATOM 307 C C . ALA A 1 42 ? 2.660 -15.206 28.767 1.00 36.37 ? 42 ALA A C 1 ATOM 308 O O . ALA A 1 42 ? 2.742 -16.053 27.888 1.00 37.66 ? 42 ALA A O 1 ATOM 309 C CB . ALA A 1 42 ? 1.705 -16.304 30.785 1.00 36.58 ? 42 ALA A CB 1 ATOM 310 N N . LEU A 1 43 ? 3.561 -14.249 28.953 1.00 35.35 ? 43 LEU A N 1 ATOM 311 C CA . LEU A 1 43 ? 4.739 -14.183 28.089 1.00 35.55 ? 43 LEU A CA 1 ATOM 312 C C . LEU A 1 43 ? 5.448 -15.529 28.176 1.00 34.37 ? 43 LEU A C 1 ATOM 313 O O . LEU A 1 43 ? 5.498 -16.143 29.244 1.00 32.71 ? 43 LEU A O 1 ATOM 314 C CB . LEU A 1 43 ? 5.684 -13.069 28.543 1.00 34.28 ? 43 LEU A CB 1 ATOM 315 C CG . LEU A 1 43 ? 5.298 -11.601 28.335 1.00 32.38 ? 43 LEU A CG 1 ATOM 316 C CD1 . LEU A 1 43 ? 6.001 -10.764 29.373 1.00 29.57 ? 43 LEU A CD1 1 ATOM 317 C CD2 . LEU A 1 43 ? 5.625 -11.187 26.912 1.00 29.70 ? 43 LEU A CD2 1 ATOM 318 N N . ALA A 1 44 ? 5.972 -16.000 27.052 1.00 33.25 ? 44 ALA A N 1 ATOM 319 C CA . ALA A 1 44 ? 6.639 -17.300 27.045 1.00 34.55 ? 44 ALA A CA 1 ATOM 320 C C . ALA A 1 44 ? 7.977 -17.268 27.781 1.00 34.39 ? 44 ALA A C 1 ATOM 321 O O . ALA A 1 44 ? 8.611 -16.221 27.903 1.00 32.81 ? 44 ALA A O 1 ATOM 322 C CB . ALA A 1 44 ? 6.844 -17.777 25.608 1.00 33.51 ? 44 ALA A CB 1 ATOM 323 N N . ARG A 1 45 ? 8.383 -18.433 28.270 1.00 35.18 ? 45 ARG A N 1 ATOM 324 C CA . ARG A 1 45 ? 9.641 -18.603 28.980 1.00 35.95 ? 45 ARG A CA 1 ATOM 325 C C . ARG A 1 45 ? 10.564 -19.462 28.142 1.00 35.39 ? 45 ARG A C 1 ATOM 326 O O . ARG A 1 45 ? 10.267 -20.621 27.864 1.00 36.17 ? 45 ARG A O 1 ATOM 327 C CB . ARG A 1 45 ? 9.425 -19.268 30.348 1.00 37.06 ? 45 ARG A CB 1 ATOM 328 C CG . ARG A 1 45 ? 8.749 -18.389 31.394 1.00 38.29 ? 45 ARG A CG 1 ATOM 329 C CD . ARG A 1 45 ? 9.764 -17.574 32.198 1.00 40.40 ? 45 ARG A CD 1 ATOM 330 N NE . ARG A 1 45 ? 9.123 -16.538 32.995 1.00 40.80 ? 45 ARG A NE 1 ATOM 331 C CZ . ARG A 1 45 ? 9.772 -15.610 33.681 1.00 43.61 ? 45 ARG A CZ 1 ATOM 332 N NH1 . ARG A 1 45 ? 11.100 -15.587 33.679 1.00 44.13 ? 45 ARG A NH1 1 ATOM 333 N NH2 . ARG A 1 45 ? 9.091 -14.689 34.349 1.00 45.23 ? 45 ARG A NH2 1 ATOM 334 N N . TRP A 1 46 ? 11.678 -18.885 27.710 1.00 35.66 ? 46 TRP A N 1 ATOM 335 C CA . TRP A 1 46 ? 12.649 -19.628 26.923 1.00 32.85 ? 46 TRP A CA 1 ATOM 336 C C . TRP A 1 46 ? 13.563 -20.331 27.919 1.00 30.97 ? 46 TRP A C 1 ATOM 337 O O . TRP A 1 46 ? 14.220 -21.318 27.589 1.00 30.27 ? 46 TRP A O 1 ATOM 338 C CB . TRP A 1 46 ? 13.429 -18.676 26.006 1.00 34.09 ? 46 TRP A CB 1 ATOM 339 C CG . TRP A 1 46 ? 12.574 -18.170 24.849 1.00 34.48 ? 46 TRP A CG 1 ATOM 340 C CD1 . TRP A 1 46 ? 11.313 -18.593 24.523 1.00 33.80 ? 46 TRP A CD1 1 ATOM 341 C CD2 . TRP A 1 46 ? 12.920 -17.172 23.871 1.00 35.04 ? 46 TRP A CD2 1 ATOM 342 N NE1 . TRP A 1 46 ? 10.857 -17.926 23.422 1.00 33.80 ? 46 TRP A NE1 1 ATOM 343 C CE2 . TRP A 1 46 ? 11.818 -17.048 23.000 1.00 33.85 ? 46 TRP A CE2 1 ATOM 344 C CE3 . TRP A 1 46 ? 14.050 -16.370 23.648 1.00 36.35 ? 46 TRP A CE3 1 ATOM 345 C CZ2 . TRP A 1 46 ? 11.811 -16.158 21.916 1.00 34.77 ? 46 TRP A CZ2 1 ATOM 346 C CZ3 . TRP A 1 46 ? 14.042 -15.485 22.564 1.00 35.46 ? 46 TRP A CZ3 1 ATOM 347 C CH2 . TRP A 1 46 ? 12.930 -15.387 21.719 1.00 35.47 ? 46 TRP A CH2 1 ATOM 348 N N . LEU A 1 47 ? 13.546 -19.852 29.158 1.00 29.67 ? 47 LEU A N 1 ATOM 349 C CA . LEU A 1 47 ? 14.337 -20.441 30.227 1.00 30.34 ? 47 LEU A CA 1 ATOM 350 C C . LEU A 1 47 ? 13.619 -20.304 31.576 1.00 29.91 ? 47 LEU A C 1 ATOM 351 O O . LEU A 1 47 ? 12.888 -19.333 31.820 1.00 29.46 ? 47 LEU A O 1 ATOM 352 C CB . LEU A 1 47 ? 15.727 -19.789 30.303 1.00 30.62 ? 47 LEU A CB 1 ATOM 353 C CG . LEU A 1 47 ? 16.774 -20.129 29.223 1.00 30.32 ? 47 LEU A CG 1 ATOM 354 C CD1 . LEU A 1 47 ? 18.037 -19.313 29.473 1.00 31.30 ? 47 LEU A CD1 1 ATOM 355 C CD2 . LEU A 1 47 ? 17.093 -21.610 29.210 1.00 29.54 ? 47 LEU A CD2 1 ATOM 356 N N . PRO A 1 48 ? 13.830 -21.275 32.484 1.00 30.86 ? 48 PRO A N 1 ATOM 357 C CA . PRO A 1 48 ? 13.210 -21.279 33.826 1.00 31.43 ? 48 PRO A CA 1 ATOM 358 C C . PRO A 1 48 ? 13.429 -19.926 34.514 1.00 31.88 ? 48 PRO A C 1 ATOM 359 O O . PRO A 1 48 ? 14.560 -19.449 34.624 1.00 31.36 ? 48 PRO A O 1 ATOM 360 C CB . PRO A 1 48 ? 13.932 -22.423 34.543 1.00 30.43 ? 48 PRO A CB 1 ATOM 361 C CG . PRO A 1 48 ? 14.143 -23.408 33.434 1.00 30.91 ? 48 PRO A CG 1 ATOM 362 C CD . PRO A 1 48 ? 14.599 -22.512 32.256 1.00 30.10 ? 48 PRO A CD 1 ATOM 363 N N . ALA A 1 49 ? 12.349 -19.297 34.951 1.00 33.00 ? 49 ALA A N 1 ATOM 364 C CA . ALA A 1 49 ? 12.461 -18.009 35.621 1.00 34.82 ? 49 ALA A CA 1 ATOM 365 C C . ALA A 1 49 ? 13.439 -18.112 36.778 1.00 35.10 ? 49 ALA A C 1 ATOM 366 O O . ALA A 1 49 ? 13.450 -19.105 37.490 1.00 35.52 ? 49 ALA A O 1 ATOM 367 C CB . ALA A 1 49 ? 11.106 -17.578 36.128 1.00 33.74 ? 49 ALA A CB 1 ATOM 368 N N . GLU A 1 50 ? 14.274 -17.105 36.970 1.00 37.98 ? 50 GLU A N 1 ATOM 369 C CA . GLU A 1 50 ? 15.226 -17.154 38.070 1.00 38.47 ? 50 GLU A CA 1 ATOM 370 C C . GLU A 1 50 ? 14.825 -16.158 39.154 1.00 38.37 ? 50 GLU A C 1 ATOM 371 O O . GLU A 1 50 ? 14.922 -14.944 38.987 1.00 37.32 ? 50 GLU A O 1 ATOM 372 C CB . GLU A 1 50 ? 16.643 -16.878 37.545 1.00 38.29 ? 50 GLU A CB 1 ATOM 373 C CG . GLU A 1 50 ? 17.404 -18.166 37.268 1.00 40.24 ? 50 GLU A CG 1 ATOM 374 C CD . GLU A 1 50 ? 18.591 -18.008 36.358 1.00 40.67 ? 50 GLU A CD 1 ATOM 375 O OE1 . GLU A 1 50 ? 19.621 -17.433 36.775 1.00 42.96 ? 50 GLU A OE1 1 ATOM 376 O OE2 . GLU A 1 50 ? 18.494 -18.475 35.208 1.00 41.47 ? 50 GLU A OE2 1 ATOM 377 N N . TYR A 1 51 ? 14.334 -16.704 40.258 1.00 39.99 ? 51 TYR A N 1 ATOM 378 C CA . TYR A 1 51 ? 13.928 -15.910 41.409 1.00 40.40 ? 51 TYR A CA 1 ATOM 379 C C . TYR A 1 51 ? 14.679 -16.316 42.665 1.00 39.35 ? 51 TYR A C 1 ATOM 380 O O . TYR A 1 51 ? 15.236 -17.402 42.757 1.00 38.82 ? 51 TYR A O 1 ATOM 381 C CB . TYR A 1 51 ? 12.441 -16.074 41.726 1.00 41.57 ? 51 TYR A CB 1 ATOM 382 C CG . TYR A 1 51 ? 11.482 -15.544 40.692 1.00 42.48 ? 51 TYR A CG 1 ATOM 383 C CD1 . TYR A 1 51 ? 10.783 -16.413 39.863 1.00 43.17 ? 51 TYR A CD1 1 ATOM 384 C CD2 . TYR A 1 51 ? 11.236 -14.181 40.572 1.00 43.17 ? 51 TYR A CD2 1 ATOM 385 C CE1 . TYR A 1 51 ? 9.859 -15.948 38.946 1.00 42.86 ? 51 TYR A CE1 1 ATOM 386 C CE2 . TYR A 1 51 ? 10.318 -13.703 39.655 1.00 43.42 ? 51 TYR A CE2 1 ATOM 387 C CZ . TYR A 1 51 ? 9.629 -14.591 38.841 1.00 43.32 ? 51 TYR A CZ 1 ATOM 388 O OH . TYR A 1 51 ? 8.717 -14.112 37.925 1.00 44.23 ? 51 TYR A OH 1 ATOM 389 N N . GLU A 1 52 ? 14.630 -15.431 43.651 1.00 39.68 ? 52 GLU A N 1 ATOM 390 C CA . GLU A 1 52 ? 15.262 -15.632 44.949 1.00 40.32 ? 52 GLU A CA 1 ATOM 391 C C . GLU A 1 52 ? 14.795 -16.962 45.530 1.00 41.15 ? 52 GLU A C 1 ATOM 392 O O . GLU A 1 52 ? 15.589 -17.886 45.739 1.00 41.51 ? 52 GLU A O 1 ATOM 393 C CB . GLU A 1 52 ? 14.855 -14.502 45.897 1.00 37.83 ? 52 GLU A CB 1 ATOM 394 C CG . GLU A 1 52 ? 16.004 -13.664 46.433 1.00 39.44 ? 52 GLU A CG 1 ATOM 395 C CD . GLU A 1 52 ? 15.549 -12.764 47.569 1.00 39.31 ? 52 GLU A CD 1 ATOM 396 O OE1 . GLU A 1 52 ? 14.872 -13.282 48.492 1.00 40.63 ? 52 GLU A OE1 1 ATOM 397 O OE2 . GLU A 1 52 ? 15.864 -11.556 47.539 1.00 38.92 ? 52 GLU A OE2 1 ATOM 398 N N . ASP A 1 53 ? 13.492 -17.039 45.788 1.00 42.26 ? 53 ASP A N 1 ATOM 399 C CA . ASP A 1 53 ? 12.856 -18.215 46.357 1.00 42.76 ? 53 ASP A CA 1 ATOM 400 C C . ASP A 1 53 ? 12.439 -19.250 45.314 1.00 44.01 ? 53 ASP A C 1 ATOM 401 O O . ASP A 1 53 ? 11.560 -20.088 45.576 1.00 45.01 ? 53 ASP A O 1 ATOM 402 C CB . ASP A 1 53 ? 11.637 -17.782 47.169 1.00 41.45 ? 53 ASP A CB 1 ATOM 403 C CG . ASP A 1 53 ? 10.566 -17.129 46.310 1.00 41.02 ? 53 ASP A CG 1 ATOM 404 O OD1 . ASP A 1 53 ? 10.762 -16.996 45.081 1.00 39.44 ? 53 ASP A OD1 1 ATOM 405 O OD2 . ASP A 1 53 ? 9.532 -16.750 46.882 1.00 42.52 ? 53 ASP A OD2 1 ATOM 406 N N . GLY A 1 54 ? 13.074 -19.199 44.144 1.00 43.85 ? 54 GLY A N 1 ATOM 407 C CA . GLY A 1 54 ? 12.759 -20.145 43.092 1.00 43.40 ? 54 GLY A CA 1 ATOM 408 C C . GLY A 1 54 ? 11.307 -20.072 42.667 1.00 43.96 ? 54 GLY A C 1 ATOM 409 O O . GLY A 1 54 ? 10.874 -20.765 41.749 1.00 45.20 ? 54 GLY A O 1 ATOM 410 N N . LEU A 1 55 ? 10.546 -19.204 43.321 1.00 44.09 ? 55 LEU A N 1 ATOM 411 C CA . LEU A 1 55 ? 9.129 -19.059 42.997 1.00 44.56 ? 55 LEU A CA 1 ATOM 412 C C . LEU A 1 55 ? 8.694 -17.669 42.551 1.00 44.76 ? 55 LEU A C 1 ATOM 413 O O . LEU A 1 55 ? 8.338 -17.470 41.394 1.00 44.58 ? 55 LEU A O 1 ATOM 414 C CB . LEU A 1 55 ? 8.255 -19.474 44.185 1.00 43.87 ? 55 LEU A CB 1 ATOM 415 C CG . LEU A 1 55 ? 8.362 -20.922 44.678 1.00 43.29 ? 55 LEU A CG 1 ATOM 416 C CD1 . LEU A 1 55 ? 7.488 -21.076 45.888 1.00 42.86 ? 55 LEU A CD1 1 ATOM 417 C CD2 . LEU A 1 55 ? 7.936 -21.890 43.589 1.00 42.59 ? 55 LEU A CD2 1 ATOM 418 N N . ALA A 1 56 ? 8.740 -16.700 43.460 1.00 45.80 ? 56 ALA A N 1 ATOM 419 C CA . ALA A 1 56 ? 8.258 -15.359 43.140 1.00 45.57 ? 56 ALA A CA 1 ATOM 420 C C . ALA A 1 56 ? 9.100 -14.144 43.515 1.00 46.29 ? 56 ALA A C 1 ATOM 421 O O . ALA A 1 56 ? 9.005 -13.103 42.860 1.00 47.24 ? 56 ALA A O 1 ATOM 422 C CB . ALA A 1 56 ? 6.877 -15.193 43.725 1.00 45.23 ? 56 ALA A CB 1 ATOM 423 N N . LEU A 1 57 ? 9.913 -14.227 44.564 1.00 46.30 ? 57 LEU A N 1 ATOM 424 C CA . LEU A 1 57 ? 10.712 -13.053 44.933 1.00 45.22 ? 57 LEU A CA 1 ATOM 425 C C . LEU A 1 57 ? 11.805 -12.674 43.942 1.00 44.07 ? 57 LEU A C 1 ATOM 426 O O . LEU A 1 57 ? 12.457 -13.530 43.348 1.00 43.96 ? 57 LEU A O 1 ATOM 427 C CB . LEU A 1 57 ? 11.310 -13.234 46.319 1.00 47.20 ? 57 LEU A CB 1 ATOM 428 C CG . LEU A 1 57 ? 10.519 -12.589 47.473 1.00 49.23 ? 57 LEU A CG 1 ATOM 429 C CD1 . LEU A 1 57 ? 9.027 -12.601 47.220 1.00 48.03 ? 57 LEU A CD1 1 ATOM 430 C CD2 . LEU A 1 57 ? 10.856 -13.327 48.729 1.00 46.15 ? 57 LEU A CD2 1 ATOM 431 N N . PRO A 1 58 ? 11.981 -11.366 43.720 1.00 42.56 ? 58 PRO A N 1 ATOM 432 C CA . PRO A 1 58 ? 13.009 -10.912 42.790 1.00 41.48 ? 58 PRO A CA 1 ATOM 433 C C . PRO A 1 58 ? 14.369 -10.857 43.469 1.00 40.79 ? 58 PRO A C 1 ATOM 434 O O . PRO A 1 58 ? 14.485 -10.528 44.653 1.00 39.83 ? 58 PRO A O 1 ATOM 435 C CB . PRO A 1 58 ? 12.491 -9.546 42.345 1.00 41.59 ? 58 PRO A CB 1 ATOM 436 C CG . PRO A 1 58 ? 11.711 -9.061 43.513 1.00 41.37 ? 58 PRO A CG 1 ATOM 437 C CD . PRO A 1 58 ? 10.993 -10.299 43.978 1.00 42.78 ? 58 PRO A CD 1 ATOM 438 N N . PHE A 1 59 ? 15.407 -11.242 42.739 1.00 41.29 ? 59 PHE A N 1 ATOM 439 C CA . PHE A 1 59 ? 16.727 -11.192 43.334 1.00 41.45 ? 59 PHE A CA 1 ATOM 440 C C . PHE A 1 59 ? 16.848 -9.742 43.731 1.00 42.51 ? 59 PHE A C 1 ATOM 441 O O . PHE A 1 59 ? 16.320 -8.869 43.043 1.00 42.24 ? 59 PHE A O 1 ATOM 442 C CB . PHE A 1 59 ? 17.804 -11.619 42.333 1.00 40.86 ? 59 PHE A CB 1 ATOM 443 C CG . PHE A 1 59 ? 18.115 -13.092 42.389 1.00 39.97 ? 59 PHE A CG 1 ATOM 444 C CD1 . PHE A 1 59 ? 18.014 -13.890 41.252 1.00 41.71 ? 59 PHE A CD1 1 ATOM 445 C CD2 . PHE A 1 59 ? 18.473 -13.692 43.589 1.00 39.11 ? 59 PHE A CD2 1 ATOM 446 C CE1 . PHE A 1 59 ? 18.266 -15.269 41.310 1.00 38.65 ? 59 PHE A CE1 1 ATOM 447 C CE2 . PHE A 1 59 ? 18.726 -15.055 43.656 1.00 38.89 ? 59 PHE A CE2 1 ATOM 448 C CZ . PHE A 1 59 ? 18.624 -15.848 42.517 1.00 37.84 ? 59 PHE A CZ 1 ATOM 449 N N . GLY A 1 60 ? 17.470 -9.485 44.875 1.00 43.26 ? 60 GLY A N 1 ATOM 450 C CA . GLY A 1 60 ? 17.613 -8.120 45.348 1.00 43.51 ? 60 GLY A CA 1 ATOM 451 C C . GLY A 1 60 ? 16.417 -7.753 46.204 1.00 44.74 ? 60 GLY A C 1 ATOM 452 O O . GLY A 1 60 ? 16.159 -6.582 46.494 1.00 45.08 ? 60 GLY A O 1 ATOM 453 N N . TRP A 1 61 ? 15.667 -8.768 46.609 1.00 45.08 ? 61 TRP A N 1 ATOM 454 C CA . TRP A 1 61 ? 14.508 -8.526 47.439 1.00 46.44 ? 61 TRP A CA 1 ATOM 455 C C . TRP A 1 61 ? 14.874 -8.594 48.905 1.00 48.72 ? 61 TRP A C 1 ATOM 456 O O . TRP A 1 61 ? 14.579 -7.683 49.674 1.00 49.53 ? 61 TRP A O 1 ATOM 457 C CB . TRP A 1 61 ? 13.394 -9.542 47.143 1.00 44.98 ? 61 TRP A CB 1 ATOM 458 C CG . TRP A 1 61 ? 12.195 -9.376 48.047 1.00 44.37 ? 61 TRP A CG 1 ATOM 459 C CD1 . TRP A 1 61 ? 12.038 -9.876 49.319 1.00 43.18 ? 61 TRP A CD1 1 ATOM 460 C CD2 . TRP A 1 61 ? 11.007 -8.626 47.764 1.00 44.31 ? 61 TRP A CD2 1 ATOM 461 N NE1 . TRP A 1 61 ? 10.830 -9.485 49.837 1.00 42.75 ? 61 TRP A NE1 1 ATOM 462 C CE2 . TRP A 1 61 ? 10.176 -8.711 48.912 1.00 44.07 ? 61 TRP A CE2 1 ATOM 463 C CE3 . TRP A 1 61 ? 10.565 -7.884 46.654 1.00 43.32 ? 61 TRP A CE3 1 ATOM 464 C CZ2 . TRP A 1 61 ? 8.924 -8.079 48.982 1.00 42.95 ? 61 TRP A CZ2 1 ATOM 465 C CZ3 . TRP A 1 61 ? 9.321 -7.255 46.720 1.00 43.27 ? 61 TRP A CZ3 1 ATOM 466 C CH2 . TRP A 1 61 ? 8.516 -7.355 47.883 1.00 43.18 ? 61 TRP A CH2 1 ATOM 467 N N . THR A 1 62 ? 15.431 -9.764 49.310 1.00 49.67 ? 62 THR A N 1 ATOM 468 C CA . THR A 1 62 ? 15.786 -9.900 50.724 1.00 51.37 ? 62 THR A CA 1 ATOM 469 C C . THR A 1 62 ? 17.238 -9.503 50.929 1.00 53.63 ? 62 THR A C 1 ATOM 470 O O . THR A 1 62 ? 18.128 -9.801 50.122 1.00 52.23 ? 62 THR A O 1 ATOM 471 C CB . THR A 1 62 ? 15.414 -11.271 51.286 1.00 51.29 ? 62 THR A CB 1 ATOM 472 O OG1 . THR A 1 62 ? 14.214 -11.742 50.646 1.00 49.41 ? 62 THR A OG1 1 ATOM 473 C CG2 . THR A 1 62 ? 15.180 -11.189 52.780 1.00 52.07 ? 62 THR A CG2 1 ATOM 474 N N . GLN A 1 63 ? 17.467 -8.830 52.054 1.00 57.39 ? 63 GLN A N 1 ATOM 475 C CA . GLN A 1 63 ? 18.856 -8.293 52.167 1.00 60.75 ? 63 GLN A CA 1 ATOM 476 C C . GLN A 1 63 ? 19.873 -9.401 51.855 1.00 61.17 ? 63 GLN A C 1 ATOM 477 O O . GLN A 1 63 ? 20.653 -9.273 50.906 1.00 60.50 ? 63 GLN A O 1 ATOM 478 C CB . GLN A 1 63 ? 19.245 -7.696 53.588 1.00 63.00 ? 63 GLN A CB 1 ATOM 479 C CG . GLN A 1 63 ? 20.596 -6.860 53.688 1.00 66.69 ? 63 GLN A CG 1 ATOM 480 C CD . GLN A 1 63 ? 21.064 -6.307 55.068 1.00 70.48 ? 63 GLN A CD 1 ATOM 481 O OE1 . GLN A 1 63 ? 20.378 -6.427 56.080 1.00 71.88 ? 63 GLN A OE1 1 ATOM 482 N NE2 . GLN A 1 63 ? 22.199 -5.662 55.318 1.00 71.83 ? 63 GLN A NE2 1 ATOM 483 N N . ARG A 1 64 ? 19.899 -10.498 52.711 1.00 61.96 ? 64 ARG A N 1 ATOM 484 C CA . ARG A 1 64 ? 20.906 -11.612 52.730 1.00 61.20 ? 64 ARG A CA 1 ATOM 485 C C . ARG A 1 64 ? 20.754 -12.848 51.796 1.00 58.96 ? 64 ARG A C 1 ATOM 486 O O . ARG A 1 64 ? 21.189 -13.944 52.141 1.00 58.84 ? 64 ARG A O 1 ATOM 487 C CB . ARG A 1 64 ? 20.982 -12.120 54.176 1.00 62.99 ? 64 ARG A CB 1 ATOM 488 C CG . ARG A 1 64 ? 19.943 -13.185 54.514 1.00 67.09 ? 64 ARG A CG 1 ATOM 489 C CD . ARG A 1 64 ? 18.511 -12.659 54.452 1.00 69.35 ? 64 ARG A CD 1 ATOM 490 N NE . ARG A 1 64 ? 17.568 -13.727 54.755 1.00 71.23 ? 64 ARG A NE 1 ATOM 491 C CZ . ARG A 1 64 ? 17.632 -14.959 54.249 1.00 72.72 ? 64 ARG A CZ 1 ATOM 492 N NH1 . ARG A 1 64 ? 18.596 -15.274 53.391 1.00 73.10 ? 64 ARG A NH1 1 ATOM 493 N NH2 . ARG A 1 64 ? 16.723 -15.871 54.581 1.00 73.00 ? 64 ARG A NH2 1 ATOM 494 N N . LYS A 1 65 ? 20.159 -12.665 50.627 1.00 55.73 ? 65 LYS A N 1 ATOM 495 C CA . LYS A 1 65 ? 20.045 -13.765 49.683 1.00 53.92 ? 65 LYS A CA 1 ATOM 496 C C . LYS A 1 65 ? 20.925 -13.320 48.526 1.00 52.26 ? 65 LYS A C 1 ATOM 497 O O . LYS A 1 65 ? 20.550 -12.461 47.728 1.00 53.40 ? 65 LYS A O 1 ATOM 498 C CB . LYS A 1 65 ? 18.593 -13.966 49.237 1.00 53.08 ? 65 LYS A CB 1 ATOM 499 C CG . LYS A 1 65 ? 17.716 -14.648 50.287 1.00 52.30 ? 65 LYS A CG 1 ATOM 500 C CD . LYS A 1 65 ? 18.078 -16.113 50.482 1.00 53.29 ? 65 LYS A CD 1 ATOM 501 C CE . LYS A 1 65 ? 16.831 -16.958 50.795 1.00 54.14 ? 65 LYS A CE 1 ATOM 502 N NZ . LYS A 1 65 ? 17.110 -18.425 50.674 1.00 52.72 ? 65 LYS A NZ 1 ATOM 503 N N . THR A 1 66 ? 22.124 -13.876 48.486 1.00 49.33 ? 66 THR A N 1 ATOM 504 C CA . THR A 1 66 ? 23.109 -13.567 47.468 1.00 47.68 ? 66 THR A CA 1 ATOM 505 C C . THR A 1 66 ? 22.661 -14.250 46.198 1.00 47.48 ? 66 THR A C 1 ATOM 506 O O . THR A 1 66 ? 21.924 -15.233 46.260 1.00 48.46 ? 66 THR A O 1 ATOM 507 C CB . THR A 1 66 ? 24.477 -14.190 47.838 1.00 46.81 ? 66 THR A CB 1 ATOM 508 O OG1 . THR A 1 66 ? 24.448 -15.610 47.584 1.00 42.38 ? 66 THR A OG1 1 ATOM 509 C CG2 . THR A 1 66 ? 24.785 -13.952 49.314 1.00 43.88 ? 66 THR A CG2 1 ATOM 510 N N . ARG A 1 67 ? 23.068 -13.736 45.046 1.00 45.78 ? 67 ARG A N 1 ATOM 511 C CA . ARG A 1 67 ? 22.752 -14.424 43.806 1.00 44.81 ? 67 ARG A CA 1 ATOM 512 C C . ARG A 1 67 ? 24.111 -14.971 43.476 1.00 44.42 ? 67 ARG A C 1 ATOM 513 O O . ARG A 1 67 ? 24.987 -14.226 43.076 1.00 44.53 ? 67 ARG A O 1 ATOM 514 C CB . ARG A 1 67 ? 22.310 -13.482 42.687 1.00 43.81 ? 67 ARG A CB 1 ATOM 515 C CG . ARG A 1 67 ? 22.254 -14.190 41.329 1.00 42.59 ? 67 ARG A CG 1 ATOM 516 C CD . ARG A 1 67 ? 21.799 -13.273 40.203 1.00 39.89 ? 67 ARG A CD 1 ATOM 517 N NE . ARG A 1 67 ? 21.021 -13.974 39.187 1.00 35.26 ? 67 ARG A NE 1 ATOM 518 C CZ . ARG A 1 67 ? 19.913 -13.470 38.660 1.00 34.86 ? 67 ARG A CZ 1 ATOM 519 N NH1 . ARG A 1 67 ? 19.478 -12.290 39.062 1.00 34.88 ? 67 ARG A NH1 1 ATOM 520 N NH2 . ARG A 1 67 ? 19.247 -14.131 37.735 1.00 33.37 ? 67 ARG A NH2 1 ATOM 521 N N . ASN A 1 68 ? 24.305 -16.262 43.694 1.00 44.41 ? 68 ASN A N 1 ATOM 522 C CA . ASN A 1 68 ? 25.585 -16.889 43.426 1.00 44.64 ? 68 ASN A CA 1 ATOM 523 C C . ASN A 1 68 ? 26.679 -16.389 44.366 1.00 45.01 ? 68 ASN A C 1 ATOM 524 O O . ASN A 1 68 ? 27.765 -16.050 43.920 1.00 46.07 ? 68 ASN A O 1 ATOM 525 C CB . ASN A 1 68 ? 26.043 -16.621 41.991 1.00 43.85 ? 68 ASN A CB 1 ATOM 526 C CG . ASN A 1 68 ? 25.158 -17.266 40.950 1.00 42.42 ? 68 ASN A CG 1 ATOM 527 O OD1 . ASN A 1 68 ? 24.940 -18.478 40.966 1.00 41.50 ? 68 ASN A OD1 1 ATOM 528 N ND2 . ASN A 1 68 ? 24.672 -16.457 40.005 1.00 39.81 ? 68 ASN A ND2 1 ATOM 529 N N . GLY A 1 69 ? 26.400 -16.336 45.660 1.00 45.39 ? 69 GLY A N 1 ATOM 530 C CA . GLY A 1 69 ? 27.410 -15.893 46.601 1.00 44.96 ? 69 GLY A CA 1 ATOM 531 C C . GLY A 1 69 ? 27.684 -14.396 46.648 1.00 45.70 ? 69 GLY A C 1 ATOM 532 O O . GLY A 1 69 ? 28.600 -13.961 47.358 1.00 45.97 ? 69 GLY A O 1 ATOM 533 N N . PHE A 1 70 ? 26.917 -13.599 45.902 1.00 44.70 ? 70 PHE A N 1 ATOM 534 C CA . PHE A 1 70 ? 27.112 -12.137 45.905 1.00 44.44 ? 70 PHE A CA 1 ATOM 535 C C . PHE A 1 70 ? 25.806 -11.349 46.006 1.00 45.06 ? 70 PHE A C 1 ATOM 536 O O . PHE A 1 70 ? 24.763 -11.781 45.495 1.00 44.73 ? 70 PHE A O 1 ATOM 537 C CB . PHE A 1 70 ? 27.854 -11.659 44.649 1.00 41.83 ? 70 PHE A CB 1 ATOM 538 C CG . PHE A 1 70 ? 29.124 -12.386 44.372 1.00 42.58 ? 70 PHE A CG 1 ATOM 539 C CD1 . PHE A 1 70 ? 29.154 -13.422 43.451 1.00 41.17 ? 70 PHE A CD1 1 ATOM 540 C CD2 . PHE A 1 70 ? 30.303 -12.015 45.005 1.00 42.23 ? 70 PHE A CD2 1 ATOM 541 C CE1 . PHE A 1 70 ? 30.343 -14.086 43.155 1.00 41.77 ? 70 PHE A CE1 1 ATOM 542 C CE2 . PHE A 1 70 ? 31.506 -12.669 44.723 1.00 40.90 ? 70 PHE A CE2 1 ATOM 543 C CZ . PHE A 1 70 ? 31.523 -13.708 43.795 1.00 41.71 ? 70 PHE A CZ 1 ATOM 544 N N . ARG A 1 71 ? 25.878 -10.195 46.670 1.00 45.22 ? 71 ARG A N 1 ATOM 545 C CA . ARG A 1 71 ? 24.726 -9.310 46.832 1.00 45.03 ? 71 ARG A CA 1 ATOM 546 C C . ARG A 1 71 ? 24.562 -8.636 45.465 1.00 43.58 ? 71 ARG A C 1 ATOM 547 O O . ARG A 1 71 ? 25.558 -8.408 44.784 1.00 41.47 ? 71 ARG A O 1 ATOM 548 C CB . ARG A 1 71 ? 25.008 -8.256 47.928 1.00 47.43 ? 71 ARG A CB 1 ATOM 549 C CG . ARG A 1 71 ? 24.644 -8.675 49.377 1.00 52.57 ? 71 ARG A CG 1 ATOM 550 C CD . ARG A 1 71 ? 25.343 -7.803 50.445 1.00 54.62 ? 71 ARG A CD 1 ATOM 551 N NE . ARG A 1 71 ? 25.081 -8.278 51.806 1.00 58.09 ? 71 ARG A NE 1 ATOM 552 C CZ . ARG A 1 71 ? 24.272 -7.675 52.676 1.00 60.49 ? 71 ARG A CZ 1 ATOM 553 N NH1 . ARG A 1 71 ? 23.645 -6.559 52.333 1.00 62.31 ? 71 ARG A NH1 1 ATOM 554 N NH2 . ARG A 1 71 ? 24.073 -8.195 53.884 1.00 62.03 ? 71 ARG A NH2 1 ATOM 555 N N . VAL A 1 72 ? 23.336 -8.367 45.025 1.00 42.73 ? 72 VAL A N 1 ATOM 556 C CA . VAL A 1 72 ? 23.178 -7.697 43.743 1.00 42.95 ? 72 VAL A CA 1 ATOM 557 C C . VAL A 1 72 ? 23.109 -6.202 44.038 1.00 43.40 ? 72 VAL A C 1 ATOM 558 O O . VAL A 1 72 ? 22.599 -5.801 45.090 1.00 44.90 ? 72 VAL A O 1 ATOM 559 C CB . VAL A 1 72 ? 21.867 -8.126 42.962 1.00 42.30 ? 72 VAL A CB 1 ATOM 560 C CG1 . VAL A 1 72 ? 22.035 -9.537 42.416 1.00 43.02 ? 72 VAL A CG1 1 ATOM 561 C CG2 . VAL A 1 72 ? 20.665 -8.037 43.856 1.00 42.86 ? 72 VAL A CG2 1 ATOM 562 N N . PRO A 1 73 ? 23.607 -5.360 43.108 1.00 43.28 ? 73 PRO A N 1 ATOM 563 C CA . PRO A 1 73 ? 23.630 -3.905 43.223 1.00 42.88 ? 73 PRO A CA 1 ATOM 564 C C . PRO A 1 73 ? 22.279 -3.252 42.989 1.00 43.32 ? 73 PRO A C 1 ATOM 565 O O . PRO A 1 73 ? 21.402 -3.819 42.333 1.00 44.69 ? 73 PRO A O 1 ATOM 566 C CB . PRO A 1 73 ? 24.689 -3.502 42.195 1.00 43.69 ? 73 PRO A CB 1 ATOM 567 C CG . PRO A 1 73 ? 24.794 -4.690 41.220 1.00 42.23 ? 73 PRO A CG 1 ATOM 568 C CD . PRO A 1 73 ? 23.906 -5.771 41.724 1.00 42.94 ? 73 PRO A CD 1 ATOM 569 N N . LEU A 1 74 ? 22.102 -2.063 43.542 1.00 41.94 ? 74 LEU A N 1 ATOM 570 C CA . LEU A 1 74 ? 20.844 -1.374 43.366 1.00 41.24 ? 74 LEU A CA 1 ATOM 571 C C . LEU A 1 74 ? 20.754 -0.918 41.922 1.00 40.84 ? 74 LEU A C 1 ATOM 572 O O . LEU A 1 74 ? 21.753 -0.486 41.339 1.00 41.88 ? 74 LEU A O 1 ATOM 573 C CB . LEU A 1 74 ? 20.782 -0.174 44.295 1.00 39.87 ? 74 LEU A CB 1 ATOM 574 C CG . LEU A 1 74 ? 20.656 -0.420 45.806 1.00 39.29 ? 74 LEU A CG 1 ATOM 575 C CD1 . LEU A 1 74 ? 21.107 0.827 46.505 1.00 39.47 ? 74 LEU A CD1 1 ATOM 576 C CD2 . LEU A 1 74 ? 19.224 -0.798 46.176 1.00 39.39 ? 74 LEU A CD2 1 ATOM 577 N N . ALA A 1 75 ? 19.559 -0.992 41.348 1.00 39.87 ? 75 ALA A N 1 ATOM 578 C CA . ALA A 1 75 ? 19.349 -0.589 39.961 1.00 38.26 ? 75 ALA A CA 1 ATOM 579 C C . ALA A 1 75 ? 19.816 0.852 39.724 1.00 37.06 ? 75 ALA A C 1 ATOM 580 O O . ALA A 1 75 ? 20.397 1.156 38.696 1.00 34.71 ? 75 ALA A O 1 ATOM 581 C CB . ALA A 1 75 ? 17.869 -0.730 39.594 1.00 37.59 ? 75 ALA A CB 1 ATOM 582 N N . ARG A 1 76 ? 19.569 1.730 40.691 1.00 39.06 ? 76 ARG A N 1 ATOM 583 C CA . ARG A 1 76 ? 19.956 3.144 40.578 1.00 40.76 ? 76 ARG A CA 1 ATOM 584 C C . ARG A 1 76 ? 21.460 3.370 40.760 1.00 40.95 ? 76 ARG A C 1 ATOM 585 O O . ARG A 1 76 ? 21.978 4.397 40.323 1.00 41.59 ? 76 ARG A O 1 ATOM 586 C CB . ARG A 1 76 ? 19.143 3.989 41.585 1.00 39.55 ? 76 ARG A CB 1 ATOM 587 C CG . ARG A 1 76 ? 19.458 5.496 41.631 1.00 40.09 ? 76 ARG A CG 1 ATOM 588 C CD . ARG A 1 76 ? 18.940 6.315 40.445 1.00 39.75 ? 76 ARG A CD 1 ATOM 589 N NE . ARG A 1 76 ? 19.283 7.722 40.617 1.00 38.85 ? 76 ARG A NE 1 ATOM 590 C CZ . ARG A 1 76 ? 19.419 8.594 39.621 1.00 38.13 ? 76 ARG A CZ 1 ATOM 591 N NH1 . ARG A 1 76 ? 19.239 8.221 38.363 1.00 40.88 ? 76 ARG A NH1 1 ATOM 592 N NH2 . ARG A 1 76 ? 19.766 9.842 39.872 1.00 38.86 ? 76 ARG A NH2 1 ATOM 593 N N . GLU A 1 77 ? 22.165 2.442 41.412 1.00 42.44 ? 77 GLU A N 1 ATOM 594 C CA . GLU A 1 77 ? 23.609 2.612 41.555 1.00 44.07 ? 77 GLU A CA 1 ATOM 595 C C . GLU A 1 77 ? 24.136 2.094 40.227 1.00 43.71 ? 77 GLU A C 1 ATOM 596 O O . GLU A 1 77 ? 25.039 2.693 39.631 1.00 44.70 ? 77 GLU A O 1 ATOM 597 C CB . GLU A 1 77 ? 24.194 1.807 42.731 1.00 46.32 ? 77 GLU A CB 1 ATOM 598 C CG . GLU A 1 77 ? 25.671 2.174 43.046 1.00 48.21 ? 77 GLU A CG 1 ATOM 599 C CD . GLU A 1 77 ? 26.222 1.516 44.324 1.00 50.77 ? 77 GLU A CD 1 ATOM 600 O OE1 . GLU A 1 77 ? 25.418 1.151 45.219 1.00 51.09 ? 77 GLU A OE1 1 ATOM 601 O OE2 . GLU A 1 77 ? 27.467 1.386 44.428 1.00 50.85 ? 77 GLU A OE2 1 ATOM 602 N N . VAL A 1 78 ? 23.552 0.998 39.734 1.00 41.04 ? 78 VAL A N 1 ATOM 603 C CA . VAL A 1 78 ? 23.986 0.490 38.431 1.00 39.77 ? 78 VAL A CA 1 ATOM 604 C C . VAL A 1 78 ? 23.753 1.634 37.474 1.00 39.07 ? 78 VAL A C 1 ATOM 605 O O . VAL A 1 78 ? 24.539 1.847 36.548 1.00 40.04 ? 78 VAL A O 1 ATOM 606 C CB . VAL A 1 78 ? 23.153 -0.716 37.876 1.00 40.43 ? 78 VAL A CB 1 ATOM 607 C CG1 . VAL A 1 78 ? 23.670 -1.078 36.468 1.00 35.82 ? 78 VAL A CG1 1 ATOM 608 C CG2 . VAL A 1 78 ? 23.274 -1.927 38.798 1.00 38.06 ? 78 VAL A CG2 1 ATOM 609 N N . SER A 1 79 ? 22.674 2.375 37.705 1.00 38.08 ? 79 SER A N 1 ATOM 610 C CA . SER A 1 79 ? 22.332 3.487 36.835 1.00 39.26 ? 79 SER A CA 1 ATOM 611 C C . SER A 1 79 ? 23.306 4.661 36.934 1.00 40.73 ? 79 SER A C 1 ATOM 612 O O . SER A 1 79 ? 23.845 5.105 35.912 1.00 39.82 ? 79 SER A O 1 ATOM 613 C CB . SER A 1 79 ? 20.896 3.974 37.112 1.00 38.75 ? 79 SER A CB 1 ATOM 614 O OG . SER A 1 79 ? 20.475 4.948 36.162 1.00 35.26 ? 79 SER A OG 1 ATOM 615 N N . ASN A 1 80 ? 23.544 5.157 38.148 1.00 42.11 ? 80 ASN A N 1 ATOM 616 C CA . ASN A 1 80 ? 24.431 6.320 38.299 1.00 42.65 ? 80 ASN A CA 1 ATOM 617 C C . ASN A 1 80 ? 25.891 6.038 38.019 1.00 42.88 ? 80 ASN A C 1 ATOM 618 O O . ASN A 1 80 ? 26.637 6.964 37.706 1.00 44.67 ? 80 ASN A O 1 ATOM 619 C CB . ASN A 1 80 ? 24.410 6.929 39.704 1.00 43.16 ? 80 ASN A CB 1 ATOM 620 C CG . ASN A 1 80 ? 23.030 7.073 40.270 1.00 43.16 ? 80 ASN A CG 1 ATOM 621 O OD1 . ASN A 1 80 ? 22.074 7.366 39.555 1.00 41.95 ? 80 ASN A OD1 1 ATOM 622 N ND2 . ASN A 1 80 ? 22.921 6.899 41.583 1.00 43.64 ? 80 ASN A ND2 1 ATOM 623 N N . LYS A 1 81 ? 26.331 4.794 38.167 1.00 42.24 ? 81 LYS A N 1 ATOM 624 C CA . LYS A 1 81 ? 27.737 4.505 37.917 1.00 42.78 ? 81 LYS A CA 1 ATOM 625 C C . LYS A 1 81 ? 28.084 4.056 36.488 1.00 42.45 ? 81 LYS A C 1 ATOM 626 O O . LYS A 1 81 ? 29.250 4.119 36.100 1.00 41.35 ? 81 LYS A O 1 ATOM 627 C CB . LYS A 1 81 ? 28.243 3.476 38.939 1.00 43.40 ? 81 LYS A CB 1 ATOM 628 C CG . LYS A 1 81 ? 28.895 4.080 40.173 1.00 43.47 ? 81 LYS A CG 1 ATOM 629 C CD . LYS A 1 81 ? 29.045 3.004 41.226 1.00 45.97 ? 81 LYS A CD 1 ATOM 630 C CE . LYS A 1 81 ? 29.642 3.517 42.538 1.00 44.82 ? 81 LYS A CE 1 ATOM 631 N NZ . LYS A 1 81 ? 29.443 2.519 43.639 1.00 44.88 ? 81 LYS A NZ 1 ATOM 632 N N . ILE A 1 82 ? 27.089 3.607 35.717 1.00 41.92 ? 82 ILE A N 1 ATOM 633 C CA . ILE A 1 82 ? 27.322 3.138 34.356 1.00 40.45 ? 82 ILE A CA 1 ATOM 634 C C . ILE A 1 82 ? 26.451 3.740 33.273 1.00 40.54 ? 82 ILE A C 1 ATOM 635 O O . ILE A 1 82 ? 26.943 4.115 32.214 1.00 42.14 ? 82 ILE A O 1 ATOM 636 C CB . ILE A 1 82 ? 27.112 1.628 34.236 1.00 40.82 ? 82 ILE A CB 1 ATOM 637 C CG1 . ILE A 1 82 ? 28.194 0.892 35.007 1.00 41.17 ? 82 ILE A CG1 1 ATOM 638 C CG2 . ILE A 1 82 ? 27.097 1.218 32.762 1.00 40.94 ? 82 ILE A CG2 1 ATOM 639 C CD1 . ILE A 1 82 ? 27.671 -0.305 35.748 1.00 39.50 ? 82 ILE A CD1 1 ATOM 640 N N . VAL A 1 83 ? 25.157 3.843 33.524 1.00 40.48 ? 83 VAL A N 1 ATOM 641 C CA . VAL A 1 83 ? 24.259 4.320 32.494 1.00 38.44 ? 83 VAL A CA 1 ATOM 642 C C . VAL A 1 83 ? 24.168 5.794 32.081 1.00 37.17 ? 83 VAL A C 1 ATOM 643 O O . VAL A 1 83 ? 23.903 6.081 30.909 1.00 37.15 ? 83 VAL A O 1 ATOM 644 C CB . VAL A 1 83 ? 22.860 3.779 32.778 1.00 39.18 ? 83 VAL A CB 1 ATOM 645 C CG1 . VAL A 1 83 ? 21.944 4.069 31.604 1.00 39.31 ? 83 VAL A CG1 1 ATOM 646 C CG2 . VAL A 1 83 ? 22.938 2.287 32.999 1.00 37.67 ? 83 VAL A CG2 1 ATOM 647 N N . GLY A 1 84 ? 24.410 6.725 32.996 1.00 36.63 ? 84 GLY A N 1 ATOM 648 C CA . GLY A 1 84 ? 24.309 8.129 32.641 1.00 36.40 ? 84 GLY A CA 1 ATOM 649 C C . GLY A 1 84 ? 25.574 8.839 32.203 1.00 36.76 ? 84 GLY A C 1 ATOM 650 O O . GLY A 1 84 ? 26.679 8.305 32.300 1.00 37.19 ? 84 GLY A O 1 ATOM 651 N N . TYR A 1 85 ? 25.391 10.066 31.718 1.00 36.76 ? 85 TYR A N 1 ATOM 652 C CA . TYR A 1 85 ? 26.494 10.917 31.250 1.00 36.15 ? 85 TYR A CA 1 ATOM 653 C C . TYR A 1 85 ? 26.027 12.380 31.208 1.00 36.83 ? 85 TYR A C 1 ATOM 654 O O . TYR A 1 85 ? 24.839 12.659 31.162 1.00 35.51 ? 85 TYR A O 1 ATOM 655 C CB . TYR A 1 85 ? 26.933 10.485 29.855 1.00 34.59 ? 85 TYR A CB 1 ATOM 656 C CG . TYR A 1 85 ? 25.813 10.578 28.846 1.00 34.05 ? 85 TYR A CG 1 ATOM 657 C CD1 . TYR A 1 85 ? 25.718 11.665 27.966 1.00 32.90 ? 85 TYR A CD1 1 ATOM 658 C CD2 . TYR A 1 85 ? 24.823 9.589 28.789 1.00 32.54 ? 85 TYR A CD2 1 ATOM 659 C CE1 . TYR A 1 85 ? 24.647 11.754 27.045 1.00 32.62 ? 85 TYR A CE1 1 ATOM 660 C CE2 . TYR A 1 85 ? 23.755 9.673 27.874 1.00 31.28 ? 85 TYR A CE2 1 ATOM 661 C CZ . TYR A 1 85 ? 23.683 10.752 27.018 1.00 32.07 ? 85 TYR A CZ 1 ATOM 662 O OH . TYR A 1 85 ? 22.642 10.837 26.151 1.00 33.91 ? 85 TYR A OH 1 ATOM 663 N N . LEU A 1 86 ? 26.972 13.311 31.188 1.00 38.65 ? 86 LEU A N 1 ATOM 664 C CA . LEU A 1 86 ? 26.651 14.740 31.180 1.00 39.93 ? 86 LEU A CA 1 ATOM 665 C C . LEU A 1 86 ? 26.538 15.440 29.839 1.00 40.18 ? 86 LEU A C 1 ATOM 666 O O . LEU A 1 86 ? 25.610 16.209 29.597 1.00 40.87 ? 86 LEU A O 1 ATOM 667 C CB . LEU A 1 86 ? 27.698 15.498 31.992 1.00 41.22 ? 86 LEU A CB 1 ATOM 668 C CG . LEU A 1 86 ? 27.646 15.114 33.471 1.00 43.89 ? 86 LEU A CG 1 ATOM 669 C CD1 . LEU A 1 86 ? 28.384 16.132 34.320 1.00 43.19 ? 86 LEU A CD1 1 ATOM 670 C CD2 . LEU A 1 86 ? 26.208 15.077 33.895 1.00 43.20 ? 86 LEU A CD2 1 ATOM 671 N N . ASP A 1 87 ? 27.515 15.168 28.983 1.00 41.47 ? 87 ASP A N 1 ATOM 672 C CA . ASP A 1 87 ? 27.653 15.773 27.665 1.00 40.46 ? 87 ASP A CA 1 ATOM 673 C C . ASP A 1 87 ? 26.859 15.205 26.468 1.00 39.82 ? 87 ASP A C 1 ATOM 674 O O . ASP A 1 87 ? 27.167 14.120 25.952 1.00 39.48 ? 87 ASP A O 1 ATOM 675 C CB . ASP A 1 87 ? 29.134 15.773 27.332 1.00 39.66 ? 87 ASP A CB 1 ATOM 676 C CG . ASP A 1 87 ? 29.498 16.827 26.334 1.00 42.08 ? 87 ASP A CG 1 ATOM 677 O OD1 . ASP A 1 87 ? 28.593 17.278 25.609 1.00 38.91 ? 87 ASP A OD1 1 ATOM 678 O OD2 . ASP A 1 87 ? 30.694 17.170 26.302 1.00 43.70 ? 87 ASP A OD2 1 ATOM 679 N N . GLU A 1 88 ? 25.844 15.944 26.018 1.00 39.74 ? 88 GLU A N 1 ATOM 680 C CA . GLU A 1 88 ? 25.028 15.521 24.875 1.00 40.39 ? 88 GLU A CA 1 ATOM 681 C C . GLU A 1 88 ? 25.704 15.871 23.550 1.00 41.47 ? 88 GLU A C 1 ATOM 682 O O . GLU A 1 88 ? 25.103 15.729 22.486 1.00 42.03 ? 88 GLU A O 1 ATOM 683 C CB . GLU A 1 88 ? 23.640 16.174 24.919 1.00 39.47 ? 88 GLU A CB 1 ATOM 684 C CG . GLU A 1 88 ? 22.807 15.767 26.095 1.00 37.06 ? 88 GLU A CG 1 ATOM 685 C CD . GLU A 1 88 ? 22.509 14.268 26.110 1.00 39.07 ? 88 GLU A CD 1 ATOM 686 O OE1 . GLU A 1 88 ? 22.720 13.606 25.066 1.00 41.61 ? 88 GLU A OE1 1 ATOM 687 O OE2 . GLU A 1 88 ? 22.043 13.776 27.163 1.00 37.83 ? 88 GLU A OE2 1 ATOM 688 N N . GLU A 1 89 ? 26.946 16.347 23.603 1.00 42.55 ? 89 GLU A N 1 ATOM 689 C CA . GLU A 1 89 ? 27.666 16.666 22.376 1.00 42.33 ? 89 GLU A CA 1 ATOM 690 C C . GLU A 1 89 ? 28.225 15.348 21.814 1.00 40.79 ? 89 GLU A C 1 ATOM 691 O O . GLU A 1 89 ? 28.591 14.450 22.578 1.00 38.67 ? 89 GLU A O 1 ATOM 692 C CB . GLU A 1 89 ? 28.808 17.649 22.655 1.00 46.29 ? 89 GLU A CB 1 ATOM 693 C CG . GLU A 1 89 ? 29.444 18.222 21.395 1.00 51.69 ? 89 GLU A CG 1 ATOM 694 C CD . GLU A 1 89 ? 30.472 19.310 21.699 1.00 55.95 ? 89 GLU A CD 1 ATOM 695 O OE1 . GLU A 1 89 ? 30.572 19.726 22.881 1.00 56.87 ? 89 GLU A OE1 1 ATOM 696 O OE2 . GLU A 1 89 ? 31.170 19.741 20.752 1.00 57.77 ? 89 GLU A OE2 1 ATOM 697 N N . GLY A 1 90 ? 28.235 15.230 20.481 1.00 40.28 ? 90 GLY A N 1 ATOM 698 C CA . GLY A 1 90 ? 28.751 14.048 19.793 1.00 38.72 ? 90 GLY A CA 1 ATOM 699 C C . GLY A 1 90 ? 27.995 12.742 19.986 1.00 38.40 ? 90 GLY A C 1 ATOM 700 O O . GLY A 1 90 ? 28.456 11.674 19.579 1.00 37.66 ? 90 GLY A O 1 ATOM 701 N N . VAL A 1 91 ? 26.804 12.848 20.564 1.00 39.35 ? 91 VAL A N 1 ATOM 702 C CA . VAL A 1 91 ? 25.947 11.714 20.882 1.00 39.23 ? 91 VAL A CA 1 ATOM 703 C C . VAL A 1 91 ? 24.967 11.239 19.787 1.00 39.81 ? 91 VAL A C 1 ATOM 704 O O . VAL A 1 91 ? 24.449 10.122 19.849 1.00 38.60 ? 91 VAL A O 1 ATOM 705 C CB . VAL A 1 91 ? 25.170 12.049 22.200 1.00 40.08 ? 91 VAL A CB 1 ATOM 706 C CG1 . VAL A 1 91 ? 23.659 12.103 21.930 1.00 38.33 ? 91 VAL A CG1 1 ATOM 707 C CG2 . VAL A 1 91 ? 25.505 11.049 23.280 1.00 40.30 ? 91 VAL A CG2 1 ATOM 708 N N . LEU A 1 92 ? 24.714 12.065 18.777 1.00 40.56 ? 92 LEU A N 1 ATOM 709 C CA . LEU A 1 92 ? 23.772 11.660 17.727 1.00 41.18 ? 92 LEU A CA 1 ATOM 710 C C . LEU A 1 92 ? 24.284 10.548 16.791 1.00 42.53 ? 92 LEU A C 1 ATOM 711 O O . LEU A 1 92 ? 25.489 10.264 16.738 1.00 43.36 ? 92 LEU A O 1 ATOM 712 C CB . LEU A 1 92 ? 23.324 12.891 16.920 1.00 39.71 ? 92 LEU A CB 1 ATOM 713 C CG . LEU A 1 92 ? 22.700 14.061 17.717 1.00 39.27 ? 92 LEU A CG 1 ATOM 714 C CD1 . LEU A 1 92 ? 21.815 14.872 16.792 1.00 40.68 ? 92 LEU A CD1 1 ATOM 715 C CD2 . LEU A 1 92 ? 21.876 13.550 18.875 1.00 39.11 ? 92 LEU A CD2 1 ATOM 716 N N . ASP A 1 93 ? 23.347 9.915 16.085 1.00 43.35 ? 93 ASP A N 1 ATOM 717 C CA . ASP A 1 93 ? 23.630 8.825 15.160 1.00 44.69 ? 93 ASP A CA 1 ATOM 718 C C . ASP A 1 93 ? 23.667 9.345 13.712 1.00 45.45 ? 93 ASP A C 1 ATOM 719 O O . ASP A 1 93 ? 22.630 9.526 13.067 1.00 44.35 ? 93 ASP A O 1 ATOM 720 C CB . ASP A 1 93 ? 22.534 7.776 15.318 1.00 46.00 ? 93 ASP A CB 1 ATOM 721 C CG . ASP A 1 93 ? 22.766 6.539 14.459 1.00 48.85 ? 93 ASP A CG 1 ATOM 722 O OD1 . ASP A 1 93 ? 23.000 6.674 13.230 1.00 50.32 ? 93 ASP A OD1 1 ATOM 723 O OD2 . ASP A 1 93 ? 22.732 5.425 15.025 1.00 47.75 ? 93 ASP A OD2 1 ATOM 724 N N . GLN A 1 94 ? 24.870 9.582 13.201 1.00 46.61 ? 94 GLN A N 1 ATOM 725 C CA . GLN A 1 94 ? 25.071 10.102 11.847 1.00 47.05 ? 94 GLN A CA 1 ATOM 726 C C . GLN A 1 94 ? 24.339 9.336 10.739 1.00 47.21 ? 94 GLN A C 1 ATOM 727 O O . GLN A 1 94 ? 24.255 9.802 9.609 1.00 45.88 ? 94 GLN A O 1 ATOM 728 C CB . GLN A 1 94 ? 26.566 10.092 11.510 1.00 47.04 ? 94 GLN A CB 1 ATOM 729 C CG . GLN A 1 94 ? 27.394 10.789 12.538 1.00 48.27 ? 94 GLN A CG 1 ATOM 730 C CD . GLN A 1 94 ? 26.769 12.117 12.925 1.00 50.41 ? 94 GLN A CD 1 ATOM 731 O OE1 . GLN A 1 94 ? 26.507 12.976 12.066 1.00 51.63 ? 94 GLN A OE1 1 ATOM 732 N NE2 . GLN A 1 94 ? 26.519 12.295 14.221 1.00 50.47 ? 94 GLN A NE2 1 ATOM 733 N N . ASN A 1 95 ? 23.795 8.164 11.044 1.00 48.26 ? 95 ASN A N 1 ATOM 734 C CA . ASN A 1 95 ? 23.188 7.345 9.989 1.00 49.17 ? 95 ASN A CA 1 ATOM 735 C C . ASN A 1 95 ? 21.825 6.702 10.379 1.00 47.35 ? 95 ASN A C 1 ATOM 736 O O . ASN A 1 95 ? 21.493 5.659 9.863 1.00 46.74 ? 95 ASN A O 1 ATOM 737 C CB . ASN A 1 95 ? 24.240 6.262 9.519 1.00 53.78 ? 95 ASN A CB 1 ATOM 738 C CG . ASN A 1 95 ? 24.030 5.812 8.096 1.00 57.59 ? 95 ASN A CG 1 ATOM 739 O OD1 . ASN A 1 95 ? 22.966 6.038 7.525 1.00 58.52 ? 95 ASN A OD1 1 ATOM 740 N ND2 . ASN A 1 95 ? 25.046 5.153 7.528 1.00 63.64 ? 95 ASN A ND2 1 ATOM 741 N N . ARG A 1 96 ? 21.034 7.322 11.260 1.00 46.55 ? 96 ARG A N 1 ATOM 742 C CA . ARG A 1 96 ? 19.720 6.792 11.665 1.00 45.15 ? 96 ARG A CA 1 ATOM 743 C C . ARG A 1 96 ? 18.879 8.006 12.069 1.00 44.01 ? 96 ARG A C 1 ATOM 744 O O . ARG A 1 96 ? 19.314 8.832 12.894 1.00 44.44 ? 96 ARG A O 1 ATOM 745 C CB . ARG A 1 96 ? 19.838 5.863 12.874 1.00 46.13 ? 96 ARG A CB 1 ATOM 746 C CG . ARG A 1 96 ? 20.528 4.504 12.651 1.00 47.33 ? 96 ARG A CG 1 ATOM 747 C CD . ARG A 1 96 ? 19.688 3.493 11.855 1.00 48.32 ? 96 ARG A CD 1 ATOM 748 N NE . ARG A 1 96 ? 20.407 2.227 11.744 1.00 51.51 ? 96 ARG A NE 1 ATOM 749 C CZ . ARG A 1 96 ? 21.382 1.985 10.871 1.00 49.49 ? 96 ARG A CZ 1 ATOM 750 N NH1 . ARG A 1 96 ? 21.757 2.918 10.014 1.00 50.36 ? 96 ARG A NH1 1 ATOM 751 N NH2 . ARG A 1 96 ? 21.995 0.810 10.860 1.00 48.71 ? 96 ARG A NH2 1 ATOM 752 N N . SER A 1 97 ? 17.683 8.123 11.500 1.00 41.72 ? 97 SER A N 1 ATOM 753 C CA . SER A 1 97 ? 16.816 9.252 11.783 1.00 39.30 ? 97 SER A CA 1 ATOM 754 C C . SER A 1 97 ? 16.099 9.032 13.081 1.00 39.07 ? 97 SER A C 1 ATOM 755 O O . SER A 1 97 ? 16.107 7.934 13.646 1.00 39.20 ? 97 SER A O 1 ATOM 756 C CB . SER A 1 97 ? 15.792 9.410 10.673 1.00 38.75 ? 97 SER A CB 1 ATOM 757 O OG . SER A 1 97 ? 14.936 8.277 10.598 1.00 36.85 ? 97 SER A OG 1 ATOM 758 N N . LEU A 1 98 ? 15.461 10.091 13.550 1.00 37.59 ? 98 LEU A N 1 ATOM 759 C CA . LEU A 1 98 ? 14.729 10.009 14.792 1.00 37.72 ? 98 LEU A CA 1 ATOM 760 C C . LEU A 1 98 ? 13.607 9.021 14.599 1.00 37.71 ? 98 LEU A C 1 ATOM 761 O O . LEU A 1 98 ? 13.136 8.402 15.560 1.00 36.14 ? 98 LEU A O 1 ATOM 762 C CB . LEU A 1 98 ? 14.139 11.355 15.196 1.00 37.51 ? 98 LEU A CB 1 ATOM 763 C CG . LEU A 1 98 ? 14.536 11.807 16.608 1.00 38.67 ? 98 LEU A CG 1 ATOM 764 C CD1 . LEU A 1 98 ? 13.408 12.597 17.219 1.00 37.59 ? 98 LEU A CD1 1 ATOM 765 C CD2 . LEU A 1 98 ? 14.858 10.602 17.485 1.00 37.27 ? 98 LEU A CD2 1 ATOM 766 N N . LEU A 1 99 ? 13.197 8.864 13.346 1.00 36.71 ? 99 LEU A N 1 ATOM 767 C CA . LEU A 1 99 ? 12.136 7.943 13.026 1.00 36.52 ? 99 LEU A CA 1 ATOM 768 C C . LEU A 1 99 ? 12.567 6.504 13.305 1.00 37.36 ? 99 LEU A C 1 ATOM 769 O O . LEU A 1 99 ? 11.730 5.651 13.604 1.00 38.31 ? 99 LEU A O 1 ATOM 770 C CB . LEU A 1 99 ? 11.737 8.117 11.565 1.00 37.67 ? 99 LEU A CB 1 ATOM 771 C CG . LEU A 1 99 ? 10.562 7.307 11.022 1.00 36.47 ? 99 LEU A CG 1 ATOM 772 C CD1 . LEU A 1 99 ? 9.358 7.373 11.962 1.00 37.38 ? 99 LEU A CD1 1 ATOM 773 C CD2 . LEU A 1 99 ? 10.222 7.862 9.659 1.00 37.58 ? 99 LEU A CD2 1 ATOM 774 N N . PHE A 1 100 ? 13.867 6.228 13.198 1.00 35.78 ? 100 PHE A N 1 ATOM 775 C CA . PHE A 1 100 ? 14.394 4.891 13.456 1.00 32.97 ? 100 PHE A CA 1 ATOM 776 C C . PHE A 1 100 ? 13.964 4.507 14.871 1.00 33.22 ? 100 PHE A C 1 ATOM 777 O O . PHE A 1 100 ? 13.378 3.445 15.089 1.00 33.27 ? 100 PHE A O 1 ATOM 778 C CB . PHE A 1 100 ? 15.917 4.917 13.349 1.00 33.69 ? 100 PHE A CB 1 ATOM 779 C CG . PHE A 1 100 ? 16.587 3.622 13.716 1.00 32.30 ? 100 PHE A CG 1 ATOM 780 C CD1 . PHE A 1 100 ? 16.261 2.438 13.056 1.00 33.01 ? 100 PHE A CD1 1 ATOM 781 C CD2 . PHE A 1 100 ? 17.583 3.599 14.684 1.00 30.44 ? 100 PHE A CD2 1 ATOM 782 C CE1 . PHE A 1 100 ? 16.927 1.251 13.355 1.00 33.78 ? 100 PHE A CE1 1 ATOM 783 C CE2 . PHE A 1 100 ? 18.247 2.419 14.997 1.00 34.08 ? 100 PHE A CE2 1 ATOM 784 C CZ . PHE A 1 100 ? 17.917 1.239 14.326 1.00 34.20 ? 100 PHE A CZ 1 ATOM 785 N N . MET A 1 101 ? 14.252 5.388 15.827 1.00 33.10 ? 101 MET A N 1 ATOM 786 C CA . MET A 1 101 ? 13.873 5.154 17.220 1.00 32.32 ? 101 MET A CA 1 ATOM 787 C C . MET A 1 101 ? 12.360 5.056 17.281 1.00 31.39 ? 101 MET A C 1 ATOM 788 O O . MET A 1 101 ? 11.818 4.130 17.873 1.00 33.03 ? 101 MET A O 1 ATOM 789 C CB . MET A 1 101 ? 14.338 6.302 18.129 1.00 30.74 ? 101 MET A CB 1 ATOM 790 C CG . MET A 1 101 ? 13.779 6.303 19.542 1.00 32.44 ? 101 MET A CG 1 ATOM 791 S SD . MET A 1 101 ? 12.041 6.970 19.791 1.00 36.66 ? 101 MET A SD 1 ATOM 792 C CE . MET A 1 101 ? 12.314 8.675 19.258 1.00 32.45 ? 101 MET A CE 1 ATOM 793 N N . GLN A 1 102 ? 11.678 5.998 16.646 1.00 31.47 ? 102 GLN A N 1 ATOM 794 C CA . GLN A 1 102 ? 10.232 5.993 16.681 1.00 33.95 ? 102 GLN A CA 1 ATOM 795 C C . GLN A 1 102 ? 9.578 4.674 16.276 1.00 33.86 ? 102 GLN A C 1 ATOM 796 O O . GLN A 1 102 ? 8.747 4.144 17.003 1.00 33.31 ? 102 GLN A O 1 ATOM 797 C CB . GLN A 1 102 ? 9.654 7.122 15.833 1.00 33.82 ? 102 GLN A CB 1 ATOM 798 C CG . GLN A 1 102 ? 8.255 7.447 16.311 1.00 34.61 ? 102 GLN A CG 1 ATOM 799 C CD . GLN A 1 102 ? 8.162 7.441 17.840 1.00 35.20 ? 102 GLN A CD 1 ATOM 800 O OE1 . GLN A 1 102 ? 8.570 8.395 18.514 1.00 34.71 ? 102 GLN A OE1 1 ATOM 801 N NE2 . GLN A 1 102 ? 7.636 6.349 18.391 1.00 33.98 ? 102 GLN A NE2 1 ATOM 802 N N . TRP A 1 103 ? 9.946 4.139 15.119 1.00 35.96 ? 103 TRP A N 1 ATOM 803 C CA . TRP A 1 103 ? 9.365 2.877 14.648 1.00 34.66 ? 103 TRP A CA 1 ATOM 804 C C . TRP A 1 103 ? 9.575 1.750 15.677 1.00 34.97 ? 103 TRP A C 1 ATOM 805 O O . TRP A 1 103 ? 8.670 0.947 15.928 1.00 36.97 ? 103 TRP A O 1 ATOM 806 C CB . TRP A 1 103 ? 9.983 2.499 13.287 1.00 32.72 ? 103 TRP A CB 1 ATOM 807 C CG . TRP A 1 103 ? 9.248 1.408 12.572 1.00 30.44 ? 103 TRP A CG 1 ATOM 808 C CD1 . TRP A 1 103 ? 9.725 0.176 12.266 1.00 28.15 ? 103 TRP A CD1 1 ATOM 809 C CD2 . TRP A 1 103 ? 7.897 1.446 12.100 1.00 29.40 ? 103 TRP A CD2 1 ATOM 810 N NE1 . TRP A 1 103 ? 8.761 -0.561 11.636 1.00 30.03 ? 103 TRP A NE1 1 ATOM 811 C CE2 . TRP A 1 103 ? 7.627 0.196 11.521 1.00 28.97 ? 103 TRP A CE2 1 ATOM 812 C CE3 . TRP A 1 103 ? 6.885 2.419 12.111 1.00 31.95 ? 103 TRP A CE3 1 ATOM 813 C CZ2 . TRP A 1 103 ? 6.384 -0.117 10.954 1.00 31.09 ? 103 TRP A CZ2 1 ATOM 814 C CZ3 . TRP A 1 103 ? 5.640 2.105 11.543 1.00 31.83 ? 103 TRP A CZ3 1 ATOM 815 C CH2 . TRP A 1 103 ? 5.408 0.850 10.976 1.00 30.82 ? 103 TRP A CH2 1 ATOM 816 N N . GLY A 1 104 ? 10.762 1.710 16.281 1.00 34.51 ? 104 GLY A N 1 ATOM 817 C CA . GLY A 1 104 ? 11.064 0.697 17.273 1.00 33.05 ? 104 GLY A CA 1 ATOM 818 C C . GLY A 1 104 ? 10.065 0.640 18.412 1.00 32.63 ? 104 GLY A C 1 ATOM 819 O O . GLY A 1 104 ? 9.564 -0.426 18.742 1.00 32.67 ? 104 GLY A O 1 ATOM 820 N N . GLN A 1 105 ? 9.828 1.788 18.994 1.00 32.90 ? 105 GLN A N 1 ATOM 821 C CA . GLN A 1 105 ? 8.901 1.907 20.060 1.00 32.37 ? 105 GLN A CA 1 ATOM 822 C C . GLN A 1 105 ? 7.480 1.532 19.606 1.00 33.00 ? 105 GLN A C 1 ATOM 823 O O . GLN A 1 105 ? 6.713 0.915 20.339 1.00 31.12 ? 105 GLN A O 1 ATOM 824 C CB . GLN A 1 105 ? 8.950 3.331 20.644 1.00 30.04 ? 105 GLN A CB 1 ATOM 825 C CG . GLN A 1 105 ? 7.826 3.564 21.662 1.00 25.51 ? 105 GLN A CG 1 ATOM 826 C CD . GLN A 1 105 ? 7.956 4.780 22.553 1.00 22.94 ? 105 GLN A CD 1 ATOM 827 O OE1 . GLN A 1 105 ? 8.280 5.865 22.083 1.00 25.37 ? 105 GLN A OE1 1 ATOM 828 N NE2 . GLN A 1 105 ? 7.744 4.840 23.861 1.00 18.95 ? 105 GLN A NE2 1 ATOM 829 N N . ILE A 1 106 ? 7.182 1.911 18.372 1.00 34.08 ? 106 ILE A N 1 ATOM 830 C CA . ILE A 1 106 ? 5.933 1.611 17.696 1.00 36.27 ? 106 ILE A CA 1 ATOM 831 C C . ILE A 1 106 ? 5.854 0.092 17.619 1.00 37.81 ? 106 ILE A C 1 ATOM 832 O O . ILE A 1 106 ? 5.004 -0.528 18.266 1.00 39.12 ? 106 ILE A O 1 ATOM 833 C CB . ILE A 1 106 ? 5.933 2.173 16.250 1.00 36.59 ? 106 ILE A CB 1 ATOM 834 C CG1 . ILE A 1 106 ? 5.555 3.655 16.254 1.00 39.11 ? 106 ILE A CG1 1 ATOM 835 C CG2 . ILE A 1 106 ? 5.011 1.350 15.360 1.00 37.40 ? 106 ILE A CG2 1 ATOM 836 C CD1 . ILE A 1 106 ? 4.061 3.913 16.331 1.00 38.83 ? 106 ILE A CD1 1 ATOM 837 N N . VAL A 1 107 ? 6.740 -0.527 16.838 1.00 36.42 ? 107 VAL A N 1 ATOM 838 C CA . VAL A 1 107 ? 6.690 -1.976 16.729 1.00 35.50 ? 107 VAL A CA 1 ATOM 839 C C . VAL A 1 107 ? 6.648 -2.551 18.132 1.00 35.80 ? 107 VAL A C 1 ATOM 840 O O . VAL A 1 107 ? 5.843 -3.426 18.436 1.00 36.25 ? 107 VAL A O 1 ATOM 841 C CB . VAL A 1 107 ? 7.898 -2.544 15.944 1.00 34.02 ? 107 VAL A CB 1 ATOM 842 C CG1 . VAL A 1 107 ? 7.952 -4.046 16.077 1.00 31.96 ? 107 VAL A CG1 1 ATOM 843 C CG2 . VAL A 1 107 ? 7.761 -2.168 14.490 1.00 32.37 ? 107 VAL A CG2 1 ATOM 844 N N . ASP A 1 108 ? 7.492 -2.082 18.981 1.00 35.79 ? 108 ASP A N 1 ATOM 845 C CA . ASP A 1 108 ? 7.475 -2.545 20.349 1.00 37.12 ? 108 ASP A CA 1 ATOM 846 C C . ASP A 1 108 ? 6.061 -2.630 20.946 1.00 37.30 ? 108 ASP A C 1 ATOM 847 O O . ASP A 1 108 ? 5.647 -3.676 21.448 1.00 36.25 ? 108 ASP A O 1 ATOM 848 C CB . ASP A 1 108 ? 8.259 -1.623 21.240 1.00 40.18 ? 108 ASP A CB 1 ATOM 849 C CG . ASP A 1 108 ? 8.474 -2.210 22.610 1.00 41.76 ? 108 ASP A CG 1 ATOM 850 O OD1 . ASP A 1 108 ? 7.681 -1.928 23.527 1.00 42.80 ? 108 ASP A OD1 1 ATOM 851 O OD2 . ASP A 1 108 ? 9.464 -2.955 22.775 1.00 44.21 ? 108 ASP A OD2 1 ATOM 852 N N . HIS A 1 109 ? 5.348 -1.518 20.866 1.00 35.43 ? 109 HIS A N 1 ATOM 853 C CA . HIS A 1 109 ? 4.013 -1.493 21.428 1.00 32.95 ? 109 HIS A CA 1 ATOM 854 C C . HIS A 1 109 ? 2.966 -2.403 20.784 1.00 34.35 ? 109 HIS A C 1 ATOM 855 O O . HIS A 1 109 ? 1.964 -2.764 21.433 1.00 34.58 ? 109 HIS A O 1 ATOM 856 C CB . HIS A 1 109 ? 3.554 -0.040 21.515 1.00 31.95 ? 109 HIS A CB 1 ATOM 857 C CG . HIS A 1 109 ? 4.321 0.751 22.533 1.00 31.07 ? 109 HIS A CG 1 ATOM 858 N ND1 . HIS A 1 109 ? 4.015 2.054 22.862 1.00 30.04 ? 109 HIS A ND1 1 ATOM 859 C CD2 . HIS A 1 109 ? 5.358 0.398 23.327 1.00 29.63 ? 109 HIS A CD2 1 ATOM 860 C CE1 . HIS A 1 109 ? 4.828 2.466 23.818 1.00 28.26 ? 109 HIS A CE1 1 ATOM 861 N NE2 . HIS A 1 109 ? 5.651 1.479 24.117 1.00 29.50 ? 109 HIS A NE2 1 ATOM 862 N N . ASP A 1 110 ? 3.222 -2.809 19.542 1.00 34.39 ? 110 ASP A N 1 ATOM 863 C CA . ASP A 1 110 ? 2.306 -3.683 18.811 1.00 34.78 ? 110 ASP A CA 1 ATOM 864 C C . ASP A 1 110 ? 2.421 -5.100 19.385 1.00 35.01 ? 110 ASP A C 1 ATOM 865 O O . ASP A 1 110 ? 1.428 -5.792 19.526 1.00 34.98 ? 110 ASP A O 1 ATOM 866 C CB . ASP A 1 110 ? 2.663 -3.665 17.299 1.00 34.93 ? 110 ASP A CB 1 ATOM 867 C CG . ASP A 1 110 ? 1.691 -4.465 16.416 1.00 34.61 ? 110 ASP A CG 1 ATOM 868 O OD1 . ASP A 1 110 ? 1.665 -5.704 16.483 1.00 36.23 ? 110 ASP A OD1 1 ATOM 869 O OD2 . ASP A 1 110 ? 0.969 -3.821 15.638 1.00 35.79 ? 110 ASP A OD2 1 ATOM 870 N N . LEU A 1 111 ? 3.620 -5.506 19.794 1.00 34.93 ? 111 LEU A N 1 ATOM 871 C CA . LEU A 1 111 ? 3.835 -6.873 20.284 1.00 34.82 ? 111 LEU A CA 1 ATOM 872 C C . LEU A 1 111 ? 3.775 -7.249 21.765 1.00 35.49 ? 111 LEU A C 1 ATOM 873 O O . LEU A 1 111 ? 3.450 -8.404 22.119 1.00 35.01 ? 111 LEU A O 1 ATOM 874 C CB . LEU A 1 111 ? 5.169 -7.388 19.733 1.00 37.75 ? 111 LEU A CB 1 ATOM 875 C CG . LEU A 1 111 ? 5.394 -7.084 18.263 1.00 37.93 ? 111 LEU A CG 1 ATOM 876 C CD1 . LEU A 1 111 ? 6.888 -7.188 17.962 1.00 37.15 ? 111 LEU A CD1 1 ATOM 877 C CD2 . LEU A 1 111 ? 4.582 -8.020 17.400 1.00 38.28 ? 111 LEU A CD2 1 ATOM 878 N N . ASP A 1 112 ? 4.072 -6.277 22.610 1.00 35.70 ? 112 ASP A N 1 ATOM 879 C CA . ASP A 1 112 ? 4.188 -6.565 24.006 1.00 36.50 ? 112 ASP A CA 1 ATOM 880 C C . ASP A 1 112 ? 3.930 -5.320 24.940 1.00 36.90 ? 112 ASP A C 1 ATOM 881 O O . ASP A 1 112 ? 4.404 -4.229 24.665 1.00 37.77 ? 112 ASP A O 1 ATOM 882 C CB . ASP A 1 112 ? 5.596 -7.211 24.185 1.00 36.22 ? 112 ASP A CB 1 ATOM 883 C CG . ASP A 1 112 ? 6.783 -6.632 23.398 1.00 35.41 ? 112 ASP A CG 1 ATOM 884 O OD1 . ASP A 1 112 ? 7.017 -7.094 22.264 1.00 37.16 ? 112 ASP A OD1 1 ATOM 885 O OD2 . ASP A 1 112 ? 7.465 -5.733 23.920 1.00 33.82 ? 112 ASP A OD2 1 ATOM 886 N N . PHE A 1 113 ? 3.147 -5.525 26.072 1.00 36.52 ? 113 PHE A N 1 ATOM 887 C CA . PHE A 1 113 ? 2.834 -4.585 27.158 1.00 37.00 ? 113 PHE A CA 1 ATOM 888 C C . PHE A 1 113 ? 2.735 -5.473 28.413 1.00 38.10 ? 113 PHE A C 1 ATOM 889 O O . PHE A 1 113 ? 1.837 -6.320 28.486 1.00 37.43 ? 113 PHE A O 1 ATOM 890 C CB . PHE A 1 113 ? 1.476 -3.816 26.941 1.00 36.73 ? 113 PHE A CB 1 ATOM 891 C CG . PHE A 1 113 ? 1.045 -2.740 27.936 1.00 38.75 ? 113 PHE A CG 1 ATOM 892 C CD1 . PHE A 1 113 ? 1.980 -2.081 28.748 1.00 38.65 ? 113 PHE A CD1 1 ATOM 893 C CD2 . PHE A 1 113 ? -0.293 -2.343 28.057 1.00 39.00 ? 113 PHE A CD2 1 ATOM 894 C CE1 . PHE A 1 113 ? 1.594 -1.101 29.662 1.00 40.51 ? 113 PHE A CE1 1 ATOM 895 C CE2 . PHE A 1 113 ? -0.693 -1.348 28.969 1.00 39.20 ? 113 PHE A CE2 1 ATOM 896 C CZ . PHE A 1 113 ? 0.251 -0.729 29.767 1.00 38.76 ? 113 PHE A CZ 1 ATOM 897 N N . ALA A 1 114 ? 3.602 -5.311 29.415 1.00 38.95 ? 114 ALA A N 1 ATOM 898 C CA . ALA A 1 114 ? 3.449 -6.083 30.663 1.00 39.48 ? 114 ALA A CA 1 ATOM 899 C C . ALA A 1 114 ? 2.915 -5.113 31.740 1.00 40.32 ? 114 ALA A C 1 ATOM 900 O O . ALA A 1 114 ? 3.675 -4.583 32.535 1.00 39.70 ? 114 ALA A O 1 ATOM 901 C CB . ALA A 1 114 ? 4.758 -6.696 31.102 1.00 37.89 ? 114 ALA A CB 1 ATOM 902 N N . PRO A 1 115 ? 1.588 -4.936 31.744 1.00 42.77 ? 115 PRO A N 1 ATOM 903 C CA . PRO A 1 115 ? 0.940 -4.000 32.690 1.00 45.80 ? 115 PRO A CA 1 ATOM 904 C C . PRO A 1 115 ? 1.245 -4.154 34.152 1.00 47.74 ? 115 PRO A C 1 ATOM 905 O O . PRO A 1 115 ? 1.375 -5.253 34.661 1.00 45.20 ? 115 PRO A O 1 ATOM 906 C CB . PRO A 1 115 ? -0.539 -4.113 32.330 1.00 44.90 ? 115 PRO A CB 1 ATOM 907 C CG . PRO A 1 115 ? -0.468 -4.225 30.832 1.00 45.03 ? 115 PRO A CG 1 ATOM 908 C CD . PRO A 1 115 ? 0.873 -4.780 30.460 1.00 43.76 ? 115 PRO A CD 1 ATOM 909 N N . GLU A 1 116 ? 1.375 -3.026 34.837 1.00 52.02 ? 116 GLU A N 1 ATOM 910 C CA . GLU A 1 116 ? 1.618 -2.958 36.277 1.00 56.26 ? 116 GLU A CA 1 ATOM 911 C C . GLU A 1 116 ? 0.477 -3.625 37.054 1.00 58.24 ? 116 GLU A C 1 ATOM 912 O O . GLU A 1 116 ? -0.683 -3.481 36.677 1.00 58.88 ? 116 GLU A O 1 ATOM 913 C CB . GLU A 1 116 ? 1.710 -1.475 36.670 1.00 55.62 ? 116 GLU A CB 1 ATOM 914 C CG . GLU A 1 116 ? 2.904 -1.091 37.521 1.00 55.72 ? 116 GLU A CG 1 ATOM 915 C CD . GLU A 1 116 ? 3.252 0.384 37.376 1.00 55.16 ? 116 GLU A CD 1 ATOM 916 O OE1 . GLU A 1 116 ? 2.389 1.246 37.655 1.00 53.89 ? 116 GLU A OE1 1 ATOM 917 O OE2 . GLU A 1 116 ? 4.395 0.677 36.971 1.00 54.95 ? 116 GLU A OE2 1 ATOM 918 N N . THR A 1 117 ? 0.792 -4.350 38.126 1.00 61.64 ? 117 THR A N 1 ATOM 919 C CA . THR A 1 117 ? -0.265 -4.995 38.914 1.00 65.68 ? 117 THR A CA 1 ATOM 920 C C . THR A 1 117 ? -1.097 -3.992 39.671 1.00 68.92 ? 117 THR A C 1 ATOM 921 O O . THR A 1 117 ? -0.621 -3.348 40.609 1.00 69.26 ? 117 THR A O 1 ATOM 922 C CB . THR A 1 117 ? 0.265 -5.991 39.972 1.00 64.82 ? 117 THR A CB 1 ATOM 923 O OG1 . THR A 1 117 ? 1.462 -5.484 40.550 1.00 65.38 ? 117 THR A OG1 1 ATOM 924 C CG2 . THR A 1 117 ? 0.554 -7.336 39.336 1.00 64.94 ? 117 THR A CG2 1 ATOM 925 N N . GLU A 1 118 ? -2.350 -3.909 39.261 1.00 72.82 ? 118 GLU A N 1 ATOM 926 C CA . GLU A 1 118 ? -3.342 -3.016 39.878 1.00 77.56 ? 118 GLU A CA 1 ATOM 927 C C . GLU A 1 118 ? -3.642 -3.332 41.345 1.00 80.40 ? 118 GLU A C 1 ATOM 928 O O . GLU A 1 118 ? -3.433 -2.531 42.255 1.00 80.51 ? 118 GLU A O 1 ATOM 929 C CB . GLU A 1 118 ? -4.654 -3.083 39.083 1.00 78.02 ? 118 GLU A CB 1 ATOM 930 C CG . GLU A 1 118 ? -5.289 -1.724 38.774 1.00 78.36 ? 118 GLU A CG 1 ATOM 931 C CD . GLU A 1 118 ? -6.004 -1.074 39.942 1.00 78.98 ? 118 GLU A CD 1 ATOM 932 O OE1 . GLU A 1 118 ? -7.093 -0.499 39.723 1.00 78.75 ? 118 GLU A OE1 1 ATOM 933 O OE2 . GLU A 1 118 ? -5.471 -1.131 41.070 1.00 78.93 ? 118 GLU A OE2 1 ATOM 934 N N . LEU A 1 119 ? -4.116 -4.536 41.538 1.00 83.27 ? 119 LEU A N 1 ATOM 935 C CA . LEU A 1 119 ? -4.409 -5.095 42.847 1.00 86.42 ? 119 LEU A CA 1 ATOM 936 C C . LEU A 1 119 ? -4.916 -4.118 43.931 1.00 88.48 ? 119 LEU A C 1 ATOM 937 O O . LEU A 1 119 ? -4.635 -4.282 45.120 1.00 89.22 ? 119 LEU A O 1 ATOM 938 C CB . LEU A 1 119 ? -3.193 -5.886 43.379 1.00 86.50 ? 119 LEU A CB 1 ATOM 939 C CG . LEU A 1 119 ? -1.804 -5.522 42.888 1.00 87.12 ? 119 LEU A CG 1 ATOM 940 C CD1 . LEU A 1 119 ? -1.179 -4.466 43.785 1.00 87.11 ? 119 LEU A CD1 1 ATOM 941 C CD2 . LEU A 1 119 ? -0.922 -6.747 42.806 1.00 87.58 ? 119 LEU A CD2 1 ATOM 942 N N . GLY A 1 120 ? -5.673 -3.103 43.512 1.00 90.33 ? 120 GLY A N 1 ATOM 943 C CA . GLY A 1 120 ? -6.246 -2.164 44.459 1.00 92.03 ? 120 GLY A CA 1 ATOM 944 C C . GLY A 1 120 ? -5.988 -0.674 44.297 1.00 93.19 ? 120 GLY A C 1 ATOM 945 O O . GLY A 1 120 ? -4.905 -0.179 44.630 1.00 93.33 ? 120 GLY A O 1 ATOM 946 N N . SER A 1 121 ? -7.019 0.044 43.785 1.00 94.01 ? 121 SER A N 1 ATOM 947 C CA . SER A 1 121 ? -6.869 1.498 43.612 1.00 95.12 ? 121 SER A CA 1 ATOM 948 C C . SER A 1 121 ? -7.828 2.289 44.479 1.00 95.89 ? 121 SER A C 1 ATOM 949 O O . SER A 1 121 ? -8.574 3.146 43.993 1.00 95.80 ? 121 SER A O 1 ATOM 950 C CB . SER A 1 121 ? -7.068 1.907 42.148 1.00 95.04 ? 121 SER A CB 1 ATOM 951 O OG . SER A 1 121 ? -7.106 3.317 42.011 1.00 93.79 ? 121 SER A OG 1 ATOM 952 N N . ASN A 1 122 ? -7.836 2.023 45.759 1.00 96.89 ? 122 ASN A N 1 ATOM 953 C CA . ASN A 1 122 ? -8.628 2.681 46.788 1.00 98.04 ? 122 ASN A CA 1 ATOM 954 C C . ASN A 1 122 ? -8.045 1.994 47.938 1.00 98.69 ? 122 ASN A C 1 ATOM 955 O O . ASN A 1 122 ? -8.647 1.317 48.768 1.00 98.75 ? 122 ASN A O 1 ATOM 956 C CB . ASN A 1 122 ? -10.134 2.538 46.688 1.00 98.01 ? 122 ASN A CB 1 ATOM 957 C CG . ASN A 1 122 ? -10.784 3.471 47.672 1.00 97.75 ? 122 ASN A CG 1 ATOM 958 O OD1 . ASN A 1 122 ? -10.997 4.659 47.398 1.00 97.95 ? 122 ASN A OD1 1 ATOM 959 N ND2 . ASN A 1 122 ? -11.107 2.932 48.846 1.00 98.56 ? 122 ASN A ND2 1 ATOM 960 N N . GLU A 1 123 ? -6.666 2.115 47.926 1.00 99.21 ? 123 GLU A N 1 ATOM 961 C CA . GLU A 1 123 ? -5.705 1.590 48.926 1.00 99.65 ? 123 GLU A CA 1 ATOM 962 C C . GLU A 1 123 ? -4.393 2.378 49.095 1.00 99.58 ? 123 GLU A C 1 ATOM 963 O O . GLU A 1 123 ? -4.018 3.188 48.258 1.00 99.84 ? 123 GLU A O 1 ATOM 964 C CB . GLU A 1 123 ? -5.400 0.082 48.705 1.00 99.22 ? 123 GLU A CB 1 ATOM 965 C CG . GLU A 1 123 ? -6.445 -0.934 49.207 1.00 99.33 ? 123 GLU A CG 1 ATOM 966 C CD . GLU A 1 123 ? -6.372 -1.357 50.694 1.00 98.88 ? 123 GLU A CD 1 ATOM 967 O OE1 . GLU A 1 123 ? -7.358 -1.933 51.170 1.00 98.73 ? 123 GLU A OE1 1 ATOM 968 O OE2 . GLU A 1 123 ? -5.339 -1.095 51.341 1.00 98.90 ? 123 GLU A OE2 1 ATOM 969 N N . HIS A 1 124 ? -3.729 2.080 50.209 1.00 99.60 ? 124 HIS A N 1 ATOM 970 C CA . HIS A 1 124 ? -2.443 2.648 50.636 1.00 99.40 ? 124 HIS A CA 1 ATOM 971 C C . HIS A 1 124 ? -1.339 2.027 49.841 1.00 98.62 ? 124 HIS A C 1 ATOM 972 O O . HIS A 1 124 ? -0.168 2.346 49.946 1.00 98.46 ? 124 HIS A O 1 ATOM 973 C CB . HIS A 1 124 ? -2.143 2.357 52.078 1.00 99.99 ? 124 HIS A CB 1 ATOM 974 C CG . HIS A 1 124 ? -2.905 3.261 53.021 1.00 99.91 ? 124 HIS A CG 1 ATOM 975 N ND1 . HIS A 1 124 ? -4.122 3.818 52.690 1.00 100.00 ? 124 HIS A ND1 1 ATOM 976 C CD2 . HIS A 1 124 ? -2.637 3.662 54.285 1.00 99.95 ? 124 HIS A CD2 1 ATOM 977 C CE1 . HIS A 1 124 ? -4.571 4.525 53.711 1.00 100.00 ? 124 HIS A CE1 1 ATOM 978 N NE2 . HIS A 1 124 ? -3.689 4.446 54.692 1.00 100.00 ? 124 HIS A NE2 1 ATOM 979 N N . SER A 1 125 ? -1.800 1.078 49.062 1.00 97.53 ? 125 SER A N 1 ATOM 980 C CA . SER A 1 125 ? -0.925 0.322 48.173 1.00 96.23 ? 125 SER A CA 1 ATOM 981 C C . SER A 1 125 ? 0.103 1.282 47.540 1.00 95.68 ? 125 SER A C 1 ATOM 982 O O . SER A 1 125 ? 1.290 0.974 47.373 1.00 95.74 ? 125 SER A O 1 ATOM 983 C CB . SER A 1 125 ? -1.764 -0.335 47.049 1.00 95.90 ? 125 SER A CB 1 ATOM 984 O OG . SER A 1 125 ? -3.075 0.210 46.999 1.00 94.47 ? 125 SER A OG 1 ATOM 985 N N . LYS A 1 126 ? -0.462 2.485 47.220 1.00 94.59 ? 126 LYS A N 1 ATOM 986 C CA . LYS A 1 126 ? 0.151 3.657 46.597 1.00 93.36 ? 126 LYS A CA 1 ATOM 987 C C . LYS A 1 126 ? 0.995 4.513 47.573 1.00 91.55 ? 126 LYS A C 1 ATOM 988 O O . LYS A 1 126 ? 2.211 4.656 47.411 1.00 91.66 ? 126 LYS A O 1 ATOM 989 C CB . LYS A 1 126 ? -0.946 4.518 45.939 1.00 94.25 ? 126 LYS A CB 1 ATOM 990 C CG . LYS A 1 126 ? -2.263 3.757 45.733 1.00 95.44 ? 126 LYS A CG 1 ATOM 991 C CD . LYS A 1 126 ? -3.362 4.698 45.286 1.00 95.79 ? 126 LYS A CD 1 ATOM 992 C CE . LYS A 1 126 ? -3.618 5.811 46.305 1.00 96.13 ? 126 LYS A CE 1 ATOM 993 N NZ . LYS A 1 126 ? -4.809 6.642 45.949 1.00 95.95 ? 126 LYS A NZ 1 ATOM 994 N N . THR A 1 127 ? 0.343 5.086 48.580 1.00 88.95 ? 127 THR A N 1 ATOM 995 C CA . THR A 1 127 ? 1.010 5.918 49.572 1.00 86.58 ? 127 THR A CA 1 ATOM 996 C C . THR A 1 127 ? 2.213 5.183 50.215 1.00 84.72 ? 127 THR A C 1 ATOM 997 O O . THR A 1 127 ? 3.285 5.758 50.300 1.00 84.40 ? 127 THR A O 1 ATOM 998 C CB . THR A 1 127 ? -0.005 6.388 50.654 1.00 87.36 ? 127 THR A CB 1 ATOM 999 O OG1 . THR A 1 127 ? -0.022 7.816 50.710 1.00 86.98 ? 127 THR A OG1 1 ATOM 1000 C CG2 . THR A 1 127 ? 0.370 5.812 52.002 1.00 86.92 ? 127 THR A CG2 1 ATOM 1001 N N . GLN A 1 128 ? 2.023 3.942 50.681 1.00 82.19 ? 128 GLN A N 1 ATOM 1002 C CA . GLN A 1 128 ? 3.054 3.157 51.407 1.00 79.59 ? 128 GLN A CA 1 ATOM 1003 C C . GLN A 1 128 ? 4.276 2.956 50.529 1.00 77.29 ? 128 GLN A C 1 ATOM 1004 O O . GLN A 1 128 ? 5.394 2.726 50.996 1.00 77.45 ? 128 GLN A O 1 ATOM 1005 C CB . GLN A 1 128 ? 2.479 1.804 51.853 1.00 80.23 ? 128 GLN A CB 1 ATOM 1006 C CG . GLN A 1 128 ? 3.263 1.119 52.952 1.00 80.52 ? 128 GLN A CG 1 ATOM 1007 C CD . GLN A 1 128 ? 2.388 0.332 53.916 1.00 80.47 ? 128 GLN A CD 1 ATOM 1008 O OE1 . GLN A 1 128 ? 2.413 -0.899 53.940 1.00 79.95 ? 128 GLN A OE1 1 ATOM 1009 N NE2 . GLN A 1 128 ? 1.541 0.836 54.803 1.00 80.93 ? 128 GLN A NE2 1 ATOM 1010 N N . CYS A 1 129 ? 4.038 3.067 49.231 1.00 73.82 ? 129 CYS A N 1 ATOM 1011 C CA . CYS A 1 129 ? 5.155 2.881 48.347 1.00 70.76 ? 129 CYS A CA 1 ATOM 1012 C C . CYS A 1 129 ? 5.928 4.153 48.079 1.00 70.60 ? 129 CYS A C 1 ATOM 1013 O O . CYS A 1 129 ? 7.035 4.292 48.595 1.00 70.67 ? 129 CYS A O 1 ATOM 1014 C CB . CYS A 1 129 ? 4.712 2.234 47.023 1.00 68.45 ? 129 CYS A CB 1 ATOM 1015 S SG . CYS A 1 129 ? 6.063 1.474 46.071 1.00 62.80 ? 129 CYS A SG 1 ATOM 1016 N N . GLU A 1 130 ? 5.408 5.080 47.282 1.00 70.46 ? 130 GLU A N 1 ATOM 1017 C CA . GLU A 1 130 ? 6.199 6.276 47.034 1.00 71.06 ? 130 GLU A CA 1 ATOM 1018 C C . GLU A 1 130 ? 6.445 7.056 48.321 1.00 71.43 ? 130 GLU A C 1 ATOM 1019 O O . GLU A 1 130 ? 7.592 7.208 48.739 1.00 72.44 ? 130 GLU A O 1 ATOM 1020 C CB . GLU A 1 130 ? 5.538 7.197 46.007 1.00 71.05 ? 130 GLU A CB 1 ATOM 1021 C CG . GLU A 1 130 ? 6.516 8.191 45.393 1.00 71.42 ? 130 GLU A CG 1 ATOM 1022 C CD . GLU A 1 130 ? 5.827 9.330 44.644 1.00 72.16 ? 130 GLU A CD 1 ATOM 1023 O OE1 . GLU A 1 130 ? 4.616 9.189 44.347 1.00 71.52 ? 130 GLU A OE1 1 ATOM 1024 O OE2 . GLU A 1 130 ? 6.501 10.352 44.348 1.00 71.30 ? 130 GLU A OE2 1 ATOM 1025 N N . GLU A 1 131 ? 5.378 7.536 48.959 1.00 71.44 ? 131 GLU A N 1 ATOM 1026 C CA . GLU A 1 131 ? 5.521 8.333 50.175 1.00 71.69 ? 131 GLU A CA 1 ATOM 1027 C C . GLU A 1 131 ? 6.415 7.781 51.299 1.00 70.16 ? 131 GLU A C 1 ATOM 1028 O O . GLU A 1 131 ? 7.338 8.468 51.745 1.00 70.32 ? 131 GLU A O 1 ATOM 1029 C CB . GLU A 1 131 ? 4.133 8.704 50.731 1.00 73.94 ? 131 GLU A CB 1 ATOM 1030 C CG . GLU A 1 131 ? 4.002 10.193 51.111 1.00 76.19 ? 131 GLU A CG 1 ATOM 1031 C CD . GLU A 1 131 ? 2.587 10.760 50.928 1.00 77.95 ? 131 GLU A CD 1 ATOM 1032 O OE1 . GLU A 1 131 ? 2.091 11.443 51.852 1.00 79.15 ? 131 GLU A OE1 1 ATOM 1033 O OE2 . GLU A 1 131 ? 1.977 10.541 49.857 1.00 78.03 ? 131 GLU A OE2 1 ATOM 1034 N N . TYR A 1 132 ? 6.196 6.559 51.766 1.00 67.42 ? 132 TYR A N 1 ATOM 1035 C CA . TYR A 1 132 ? 7.044 6.100 52.867 1.00 64.97 ? 132 TYR A CA 1 ATOM 1036 C C . TYR A 1 132 ? 8.245 5.193 52.481 1.00 63.41 ? 132 TYR A C 1 ATOM 1037 O O . TYR A 1 132 ? 9.102 4.899 53.316 1.00 62.31 ? 132 TYR A O 1 ATOM 1038 C CB . TYR A 1 132 ? 6.137 5.477 53.954 1.00 64.91 ? 132 TYR A CB 1 ATOM 1039 C CG . TYR A 1 132 ? 4.946 6.383 54.336 1.00 64.43 ? 132 TYR A CG 1 ATOM 1040 C CD1 . TYR A 1 132 ? 3.661 6.145 53.836 1.00 64.23 ? 132 TYR A CD1 1 ATOM 1041 C CD2 . TYR A 1 132 ? 5.119 7.495 55.166 1.00 64.03 ? 132 TYR A CD2 1 ATOM 1042 C CE1 . TYR A 1 132 ? 2.577 6.993 54.155 1.00 64.08 ? 132 TYR A CE1 1 ATOM 1043 C CE2 . TYR A 1 132 ? 4.039 8.352 55.488 1.00 64.46 ? 132 TYR A CE2 1 ATOM 1044 C CZ . TYR A 1 132 ? 2.772 8.094 54.979 1.00 64.46 ? 132 TYR A CZ 1 ATOM 1045 O OH . TYR A 1 132 ? 1.714 8.935 55.289 1.00 64.93 ? 132 TYR A OH 1 ATOM 1046 N N . CYS A 1 133 ? 8.314 4.808 51.199 1.00 61.79 ? 133 CYS A N 1 ATOM 1047 C CA . CYS A 1 133 ? 9.380 3.949 50.611 1.00 59.92 ? 133 CYS A CA 1 ATOM 1048 C C . CYS A 1 133 ? 9.544 2.547 51.198 1.00 59.54 ? 133 CYS A C 1 ATOM 1049 O O . CYS A 1 133 ? 10.659 2.008 51.236 1.00 60.51 ? 133 CYS A O 1 ATOM 1050 C CB . CYS A 1 133 ? 10.761 4.650 50.638 1.00 58.73 ? 133 CYS A CB 1 ATOM 1051 S SG . CYS A 1 133 ? 10.964 6.024 49.441 1.00 55.80 ? 133 CYS A SG 1 ATOM 1052 N N . ILE A 1 134 ? 8.427 1.954 51.614 1.00 58.95 ? 134 ILE A N 1 ATOM 1053 C CA . ILE A 1 134 ? 8.406 0.615 52.187 1.00 57.30 ? 134 ILE A CA 1 ATOM 1054 C C . ILE A 1 134 ? 8.217 -0.485 51.163 1.00 56.87 ? 134 ILE A C 1 ATOM 1055 O O . ILE A 1 134 ? 7.296 -0.450 50.349 1.00 58.01 ? 134 ILE A O 1 ATOM 1056 C CB . ILE A 1 134 ? 7.288 0.463 53.236 1.00 56.90 ? 134 ILE A CB 1 ATOM 1057 C CG1 . ILE A 1 134 ? 7.884 0.556 54.633 1.00 57.16 ? 134 ILE A CG1 1 ATOM 1058 C CG2 . ILE A 1 134 ? 6.567 -0.876 53.066 1.00 56.26 ? 134 ILE A CG2 1 ATOM 1059 C CD1 . ILE A 1 134 ? 8.418 1.920 54.970 1.00 55.90 ? 134 ILE A CD1 1 ATOM 1060 N N . GLN A 1 135 ? 9.086 -1.480 51.221 1.00 55.18 ? 135 GLN A N 1 ATOM 1061 C CA . GLN A 1 135 ? 8.998 -2.587 50.295 1.00 53.87 ? 135 GLN A CA 1 ATOM 1062 C C . GLN A 1 135 ? 7.985 -3.613 50.788 1.00 54.03 ? 135 GLN A C 1 ATOM 1063 O O . GLN A 1 135 ? 8.010 -4.020 51.951 1.00 53.96 ? 135 GLN A O 1 ATOM 1064 C CB . GLN A 1 135 ? 10.364 -3.232 50.160 1.00 52.83 ? 135 GLN A CB 1 ATOM 1065 C CG . GLN A 1 135 ? 10.401 -4.378 49.214 1.00 50.43 ? 135 GLN A CG 1 ATOM 1066 C CD . GLN A 1 135 ? 11.774 -4.950 49.097 1.00 49.17 ? 135 GLN A CD 1 ATOM 1067 O OE1 . GLN A 1 135 ? 12.615 -4.432 48.368 1.00 50.20 ? 135 GLN A OE1 1 ATOM 1068 N NE2 . GLN A 1 135 ? 12.025 -6.021 49.835 1.00 49.07 ? 135 GLN A NE2 1 ATOM 1069 N N . GLY A 1 136 ? 7.096 -4.048 49.906 1.00 54.22 ? 136 GLY A N 1 ATOM 1070 C CA . GLY A 1 136 ? 6.114 -5.022 50.358 1.00 54.10 ? 136 GLY A CA 1 ATOM 1071 C C . GLY A 1 136 ? 5.145 -5.460 49.285 1.00 54.76 ? 136 GLY A C 1 ATOM 1072 O O . GLY A 1 136 ? 4.618 -4.633 48.545 1.00 52.96 ? 136 GLY A O 1 ATOM 1073 N N . ASP A 1 137 ? 4.913 -6.775 49.250 1.00 55.08 ? 137 ASP A N 1 ATOM 1074 C CA . ASP A 1 137 ? 4.045 -7.300 48.221 1.00 56.05 ? 137 ASP A CA 1 ATOM 1075 C C . ASP A 1 137 ? 4.432 -6.619 46.940 1.00 55.38 ? 137 ASP A C 1 ATOM 1076 O O . ASP A 1 137 ? 5.616 -6.628 46.623 1.00 54.07 ? 137 ASP A O 1 ATOM 1077 C CB . ASP A 1 137 ? 2.571 -7.087 48.557 1.00 58.26 ? 137 ASP A CB 1 ATOM 1078 C CG . ASP A 1 137 ? 2.130 -7.786 49.819 1.00 59.82 ? 137 ASP A CG 1 ATOM 1079 O OD1 . ASP A 1 137 ? 2.050 -9.030 49.812 1.00 62.62 ? 137 ASP A OD1 1 ATOM 1080 O OD2 . ASP A 1 137 ? 1.868 -7.078 50.820 1.00 61.04 ? 137 ASP A OD2 1 ATOM 1081 N N . ASN A 1 138 ? 3.533 -6.016 46.196 1.00 54.67 ? 138 ASN A N 1 ATOM 1082 C CA . ASN A 1 138 ? 3.978 -5.485 44.915 1.00 54.15 ? 138 ASN A CA 1 ATOM 1083 C C . ASN A 1 138 ? 4.748 -4.149 44.864 1.00 53.14 ? 138 ASN A C 1 ATOM 1084 O O . ASN A 1 138 ? 4.946 -3.597 43.781 1.00 52.95 ? 138 ASN A O 1 ATOM 1085 C CB . ASN A 1 138 ? 2.768 -5.472 43.996 1.00 53.85 ? 138 ASN A CB 1 ATOM 1086 C CG . ASN A 1 138 ? 2.116 -6.851 43.947 1.00 55.20 ? 138 ASN A CG 1 ATOM 1087 O OD1 . ASN A 1 138 ? 1.826 -7.466 44.978 1.00 53.37 ? 138 ASN A OD1 1 ATOM 1088 N ND2 . ASN A 1 138 ? 1.898 -7.347 42.729 1.00 54.53 ? 138 ASN A ND2 1 ATOM 1089 N N . CYS A 1 139 ? 5.162 -3.640 46.027 1.00 52.55 ? 139 CYS A N 1 ATOM 1090 C CA . CYS A 1 139 ? 5.917 -2.385 46.089 1.00 51.61 ? 139 CYS A CA 1 ATOM 1091 C C . CYS A 1 139 ? 7.390 -2.762 46.245 1.00 48.59 ? 139 CYS A C 1 ATOM 1092 O O . CYS A 1 139 ? 7.875 -3.050 47.335 1.00 47.99 ? 139 CYS A O 1 ATOM 1093 C CB . CYS A 1 139 ? 5.431 -1.493 47.234 1.00 54.71 ? 139 CYS A CB 1 ATOM 1094 S SG . CYS A 1 139 ? 6.598 -0.172 47.697 1.00 61.19 ? 139 CYS A SG 1 ATOM 1095 N N . PHE A 1 140 ? 8.061 -2.747 45.107 1.00 44.74 ? 140 PHE A N 1 ATOM 1096 C CA . PHE A 1 140 ? 9.457 -3.078 44.980 1.00 43.23 ? 140 PHE A CA 1 ATOM 1097 C C . PHE A 1 140 ? 10.191 -1.763 44.667 1.00 43.16 ? 140 PHE A C 1 ATOM 1098 O O . PHE A 1 140 ? 10.772 -1.585 43.577 1.00 43.24 ? 140 PHE A O 1 ATOM 1099 C CB . PHE A 1 140 ? 9.594 -4.098 43.832 1.00 41.65 ? 140 PHE A CB 1 ATOM 1100 C CG . PHE A 1 140 ? 10.956 -4.709 43.681 1.00 40.85 ? 140 PHE A CG 1 ATOM 1101 C CD1 . PHE A 1 140 ? 11.796 -4.915 44.763 1.00 39.78 ? 140 PHE A CD1 1 ATOM 1102 C CD2 . PHE A 1 140 ? 11.359 -5.150 42.411 1.00 41.04 ? 140 PHE A CD2 1 ATOM 1103 C CE1 . PHE A 1 140 ? 13.031 -5.546 44.598 1.00 40.03 ? 140 PHE A CE1 1 ATOM 1104 C CE2 . PHE A 1 140 ? 12.584 -5.778 42.242 1.00 40.79 ? 140 PHE A CE2 1 ATOM 1105 C CZ . PHE A 1 140 ? 13.425 -5.974 43.323 1.00 41.65 ? 140 PHE A CZ 1 ATOM 1106 N N . PRO A 1 141 ? 10.218 -0.837 45.634 1.00 41.87 ? 141 PRO A N 1 ATOM 1107 C CA . PRO A 1 141 ? 10.853 0.478 45.485 1.00 40.90 ? 141 PRO A CA 1 ATOM 1108 C C . PRO A 1 141 ? 12.314 0.467 45.062 1.00 39.94 ? 141 PRO A C 1 ATOM 1109 O O . PRO A 1 141 ? 13.075 -0.413 45.468 1.00 39.27 ? 141 PRO A O 1 ATOM 1110 C CB . PRO A 1 141 ? 10.650 1.144 46.863 1.00 40.12 ? 141 PRO A CB 1 ATOM 1111 C CG . PRO A 1 141 ? 9.864 0.120 47.679 1.00 40.98 ? 141 PRO A CG 1 ATOM 1112 C CD . PRO A 1 141 ? 10.160 -1.190 47.050 1.00 40.86 ? 141 PRO A CD 1 ATOM 1113 N N . ILE A 1 142 ? 12.670 1.450 44.232 1.00 38.77 ? 142 ILE A N 1 ATOM 1114 C CA . ILE A 1 142 ? 14.032 1.587 43.766 1.00 39.35 ? 142 ILE A CA 1 ATOM 1115 C C . ILE A 1 142 ? 14.738 2.509 44.771 1.00 40.10 ? 142 ILE A C 1 ATOM 1116 O O . ILE A 1 142 ? 14.479 3.718 44.808 1.00 39.91 ? 142 ILE A O 1 ATOM 1117 C CB . ILE A 1 142 ? 14.073 2.164 42.335 1.00 38.93 ? 142 ILE A CB 1 ATOM 1118 C CG1 . ILE A 1 142 ? 13.608 1.085 41.345 1.00 40.26 ? 142 ILE A CG1 1 ATOM 1119 C CG2 . ILE A 1 142 ? 15.461 2.638 41.982 1.00 37.84 ? 142 ILE A CG2 1 ATOM 1120 C CD1 . ILE A 1 142 ? 13.315 1.612 39.927 1.00 39.25 ? 142 ILE A CD1 1 ATOM 1121 N N . MET A 1 143 ? 15.593 1.919 45.614 1.00 41.41 ? 143 MET A N 1 ATOM 1122 C CA . MET A 1 143 ? 16.352 2.643 46.640 1.00 43.73 ? 143 MET A CA 1 ATOM 1123 C C . MET A 1 143 ? 17.541 3.405 46.066 1.00 43.94 ? 143 MET A C 1 ATOM 1124 O O . MET A 1 143 ? 18.109 3.014 45.057 1.00 43.83 ? 143 MET A O 1 ATOM 1125 C CB . MET A 1 143 ? 16.883 1.675 47.708 1.00 43.78 ? 143 MET A CB 1 ATOM 1126 C CG . MET A 1 143 ? 15.818 0.920 48.502 1.00 44.19 ? 143 MET A CG 1 ATOM 1127 S SD . MET A 1 143 ? 14.663 2.019 49.339 1.00 45.84 ? 143 MET A SD 1 ATOM 1128 C CE . MET A 1 143 ? 13.280 1.790 48.321 1.00 45.57 ? 143 MET A CE 1 ATOM 1129 N N . PHE A 1 144 ? 17.918 4.498 46.727 1.00 44.22 ? 144 PHE A N 1 ATOM 1130 C CA . PHE A 1 144 ? 19.057 5.299 46.281 1.00 45.34 ? 144 PHE A CA 1 ATOM 1131 C C . PHE A 1 144 ? 20.312 4.864 47.002 1.00 46.44 ? 144 PHE A C 1 ATOM 1132 O O . PHE A 1 144 ? 20.271 4.511 48.188 1.00 46.92 ? 144 PHE A O 1 ATOM 1133 C CB . PHE A 1 144 ? 18.916 6.773 46.613 1.00 45.05 ? 144 PHE A CB 1 ATOM 1134 C CG . PHE A 1 144 ? 17.783 7.467 45.915 1.00 43.81 ? 144 PHE A CG 1 ATOM 1135 C CD1 . PHE A 1 144 ? 16.732 7.982 46.656 1.00 42.51 ? 144 PHE A CD1 1 ATOM 1136 C CD2 . PHE A 1 144 ? 17.780 7.644 44.539 1.00 44.63 ? 144 PHE A CD2 1 ATOM 1137 C CE1 . PHE A 1 144 ? 15.707 8.651 46.051 1.00 42.73 ? 144 PHE A CE1 1 ATOM 1138 C CE2 . PHE A 1 144 ? 16.742 8.320 43.919 1.00 43.39 ? 144 PHE A CE2 1 ATOM 1139 C CZ . PHE A 1 144 ? 15.701 8.824 44.677 1.00 42.82 ? 144 PHE A CZ 1 ATOM 1140 N N . PRO A 1 145 ? 21.473 5.041 46.253 1.00 47.22 ? 145 PRO A N 1 ATOM 1141 C CA . PRO A 1 145 ? 22.768 4.757 46.843 1.00 47.88 ? 145 PRO A CA 1 ATOM 1142 C C . PRO A 1 145 ? 22.881 5.829 47.723 1.00 48.37 ? 145 PRO A C 1 ATOM 1143 O O . PRO A 1 145 ? 21.983 6.637 47.911 1.00 48.09 ? 145 PRO A O 1 ATOM 1144 C CB . PRO A 1 145 ? 23.798 5.094 45.799 1.00 47.50 ? 145 PRO A CB 1 ATOM 1145 C CG . PRO A 1 145 ? 23.079 4.533 44.597 1.00 45.85 ? 145 PRO A CG 1 ATOM 1146 C CD . PRO A 1 145 ? 21.593 4.473 44.913 1.00 46.61 ? 145 PRO A CD 1 ATOM 1147 N N . LYS A 1 146 ? 24.014 5.902 48.263 1.00 48.83 ? 146 LYS A N 1 ATOM 1148 C CA . LYS A 1 146 ? 24.331 7.144 48.911 1.00 48.53 ? 146 LYS A CA 1 ATOM 1149 C C . LYS A 1 146 ? 25.320 7.799 47.924 1.00 48.13 ? 146 LYS A C 1 ATOM 1150 O O . LYS A 1 146 ? 25.962 7.091 47.146 1.00 47.80 ? 146 LYS A O 1 ATOM 1151 C CB . LYS A 1 146 ? 24.887 6.980 50.305 1.00 48.77 ? 146 LYS A CB 1 ATOM 1152 C CG . LYS A 1 146 ? 25.607 5.700 50.510 1.00 50.64 ? 146 LYS A CG 1 ATOM 1153 C CD . LYS A 1 146 ? 26.926 6.006 51.188 1.00 52.17 ? 146 LYS A CD 1 ATOM 1154 C CE . LYS A 1 146 ? 27.644 4.720 51.564 1.00 51.37 ? 146 LYS A CE 1 ATOM 1155 N NZ . LYS A 1 146 ? 28.945 4.991 52.224 1.00 52.47 ? 146 LYS A NZ 1 ATOM 1156 N N . ASN A 1 147 ? 25.479 9.132 47.973 1.00 46.93 ? 147 ASN A N 1 ATOM 1157 C CA . ASN A 1 147 ? 26.336 9.854 47.014 1.00 47.03 ? 147 ASN A CA 1 ATOM 1158 C C . ASN A 1 147 ? 25.448 10.279 45.838 1.00 47.72 ? 147 ASN A C 1 ATOM 1159 O O . ASN A 1 147 ? 25.869 11.002 44.926 1.00 46.68 ? 147 ASN A O 1 ATOM 1160 C CB . ASN A 1 147 ? 27.519 8.999 46.526 1.00 46.07 ? 147 ASN A CB 1 ATOM 1161 C CG . ASN A 1 147 ? 28.518 8.736 47.627 1.00 45.58 ? 147 ASN A CG 1 ATOM 1162 O OD1 . ASN A 1 147 ? 29.420 7.904 47.462 1.00 43.83 ? 147 ASN A OD1 1 ATOM 1163 N ND2 . ASN A 1 147 ? 28.370 9.431 48.733 1.00 44.20 ? 147 ASN A ND2 1 ATOM 1164 N N . ASP A 1 148 ? 24.206 9.788 45.917 1.00 48.52 ? 148 ASP A N 1 ATOM 1165 C CA . ASP A 1 148 ? 23.147 10.009 44.940 1.00 47.45 ? 148 ASP A CA 1 ATOM 1166 C C . ASP A 1 148 ? 22.388 11.306 45.209 1.00 47.33 ? 148 ASP A C 1 ATOM 1167 O O . ASP A 1 148 ? 21.594 11.374 46.136 1.00 49.17 ? 148 ASP A O 1 ATOM 1168 C CB . ASP A 1 148 ? 22.180 8.837 44.979 1.00 47.26 ? 148 ASP A CB 1 ATOM 1169 C CG . ASP A 1 148 ? 21.068 8.943 43.921 1.00 48.53 ? 148 ASP A CG 1 ATOM 1170 O OD1 . ASP A 1 148 ? 20.269 9.907 43.953 1.00 45.41 ? 148 ASP A OD1 1 ATOM 1171 O OD2 . ASP A 1 148 ? 21.016 8.038 43.066 1.00 48.14 ? 148 ASP A OD2 1 ATOM 1172 N N . PRO A 1 149 ? 22.641 12.351 44.407 1.00 47.62 ? 149 PRO A N 1 ATOM 1173 C CA . PRO A 1 149 ? 22.001 13.657 44.532 1.00 47.28 ? 149 PRO A CA 1 ATOM 1174 C C . PRO A 1 149 ? 20.505 13.618 44.794 1.00 47.14 ? 149 PRO A C 1 ATOM 1175 O O . PRO A 1 149 ? 19.959 14.579 45.318 1.00 48.36 ? 149 PRO A O 1 ATOM 1176 C CB . PRO A 1 149 ? 22.352 14.317 43.216 1.00 48.65 ? 149 PRO A CB 1 ATOM 1177 C CG . PRO A 1 149 ? 23.750 13.868 42.993 1.00 48.16 ? 149 PRO A CG 1 ATOM 1178 C CD . PRO A 1 149 ? 23.711 12.385 43.392 1.00 46.88 ? 149 PRO A CD 1 ATOM 1179 N N . LYS A 1 150 ? 19.837 12.528 44.430 1.00 47.61 ? 150 LYS A N 1 ATOM 1180 C CA . LYS A 1 150 ? 18.405 12.444 44.651 1.00 47.88 ? 150 LYS A CA 1 ATOM 1181 C C . LYS A 1 150 ? 18.082 12.308 46.130 1.00 47.33 ? 150 LYS A C 1 ATOM 1182 O O . LYS A 1 150 ? 16.953 12.560 46.559 1.00 45.62 ? 150 LYS A O 1 ATOM 1183 C CB . LYS A 1 150 ? 17.805 11.307 43.828 1.00 49.56 ? 150 LYS A CB 1 ATOM 1184 C CG . LYS A 1 150 ? 18.146 11.389 42.333 1.00 50.67 ? 150 LYS A CG 1 ATOM 1185 C CD . LYS A 1 150 ? 16.931 11.216 41.413 1.00 50.67 ? 150 LYS A CD 1 ATOM 1186 C CE . LYS A 1 150 ? 17.254 11.757 40.016 1.00 51.53 ? 150 LYS A CE 1 ATOM 1187 N NZ . LYS A 1 150 ? 16.000 12.125 39.271 1.00 49.48 ? 150 LYS A NZ 1 ATOM 1188 N N . LEU A 1 151 ? 19.084 11.935 46.919 1.00 47.54 ? 151 LEU A N 1 ATOM 1189 C CA . LEU A 1 151 ? 18.901 11.838 48.350 1.00 48.18 ? 151 LEU A CA 1 ATOM 1190 C C . LEU A 1 151 ? 18.554 13.240 48.833 1.00 49.01 ? 151 LEU A C 1 ATOM 1191 O O . LEU A 1 151 ? 17.498 13.446 49.417 1.00 49.24 ? 151 LEU A O 1 ATOM 1192 C CB . LEU A 1 151 ? 20.187 11.325 49.006 1.00 49.55 ? 151 LEU A CB 1 ATOM 1193 C CG . LEU A 1 151 ? 20.207 9.798 49.213 1.00 51.11 ? 151 LEU A CG 1 ATOM 1194 C CD1 . LEU A 1 151 ? 21.588 9.275 49.649 1.00 49.88 ? 151 LEU A CD1 1 ATOM 1195 C CD2 . LEU A 1 151 ? 19.172 9.466 50.254 1.00 50.35 ? 151 LEU A CD2 1 ATOM 1196 N N . LYS A 1 152 ? 19.422 14.203 48.532 1.00 50.00 ? 152 LYS A N 1 ATOM 1197 C CA . LYS A 1 152 ? 19.237 15.595 48.948 1.00 51.89 ? 152 LYS A CA 1 ATOM 1198 C C . LYS A 1 152 ? 18.019 16.306 48.342 1.00 52.74 ? 152 LYS A C 1 ATOM 1199 O O . LYS A 1 152 ? 17.661 17.398 48.790 1.00 53.00 ? 152 LYS A O 1 ATOM 1200 C CB . LYS A 1 152 ? 20.457 16.441 48.551 1.00 52.83 ? 152 LYS A CB 1 ATOM 1201 C CG . LYS A 1 152 ? 21.773 15.717 48.260 1.00 51.98 ? 152 LYS A CG 1 ATOM 1202 C CD . LYS A 1 152 ? 22.790 15.981 49.361 1.00 52.66 ? 152 LYS A CD 1 ATOM 1203 C CE . LYS A 1 152 ? 24.237 15.813 48.879 1.00 53.20 ? 152 LYS A CE 1 ATOM 1204 N NZ . LYS A 1 152 ? 25.248 16.269 49.904 1.00 52.76 ? 152 LYS A NZ 1 ATOM 1205 N N . THR A 1 153 ? 17.366 15.685 47.361 1.00 52.88 ? 153 THR A N 1 ATOM 1206 C CA . THR A 1 153 ? 16.305 16.362 46.626 1.00 52.32 ? 153 THR A CA 1 ATOM 1207 C C . THR A 1 153 ? 14.940 15.731 46.281 1.00 53.46 ? 153 THR A C 1 ATOM 1208 O O . THR A 1 153 ? 13.990 16.455 45.917 1.00 54.30 ? 153 THR A O 1 ATOM 1209 C CB . THR A 1 153 ? 16.948 16.856 45.341 1.00 53.60 ? 153 THR A CB 1 ATOM 1210 O OG1 . THR A 1 153 ? 17.247 18.246 45.488 1.00 53.36 ? 153 THR A OG1 1 ATOM 1211 C CG2 . THR A 1 153 ? 16.065 16.582 44.108 1.00 52.57 ? 153 THR A CG2 1 ATOM 1212 N N . GLN A 1 154 ? 14.827 14.407 46.382 1.00 52.84 ? 154 GLN A N 1 ATOM 1213 C CA . GLN A 1 154 ? 13.577 13.723 46.050 1.00 51.83 ? 154 GLN A CA 1 ATOM 1214 C C . GLN A 1 154 ? 13.161 12.785 47.173 1.00 51.78 ? 154 GLN A C 1 ATOM 1215 O O . GLN A 1 154 ? 11.973 12.572 47.409 1.00 52.48 ? 154 GLN A O 1 ATOM 1216 C CB . GLN A 1 154 ? 13.737 12.939 44.739 1.00 51.53 ? 154 GLN A CB 1 ATOM 1217 C CG . GLN A 1 154 ? 14.059 13.798 43.521 1.00 51.56 ? 154 GLN A CG 1 ATOM 1218 C CD . GLN A 1 154 ? 13.891 13.063 42.185 1.00 51.06 ? 154 GLN A CD 1 ATOM 1219 O OE1 . GLN A 1 154 ? 14.348 13.544 41.142 1.00 50.79 ? 154 GLN A OE1 1 ATOM 1220 N NE2 . GLN A 1 154 ? 13.229 11.910 42.211 1.00 49.18 ? 154 GLN A NE2 1 ATOM 1221 N N . GLY A 1 155 ? 14.141 12.230 47.875 1.00 50.78 ? 155 GLY A N 1 ATOM 1222 C CA . GLY A 1 155 ? 13.807 11.336 48.963 1.00 49.62 ? 155 GLY A CA 1 ATOM 1223 C C . GLY A 1 155 ? 14.705 10.129 49.089 1.00 49.86 ? 155 GLY A C 1 ATOM 1224 O O . GLY A 1 155 ? 15.872 10.156 48.686 1.00 49.39 ? 155 GLY A O 1 ATOM 1225 N N . LYS A 1 156 ? 14.155 9.055 49.649 1.00 49.23 ? 156 LYS A N 1 ATOM 1226 C CA . LYS A 1 156 ? 14.920 7.832 49.838 1.00 48.99 ? 156 LYS A CA 1 ATOM 1227 C C . LYS A 1 156 ? 14.768 6.843 48.682 1.00 47.83 ? 156 LYS A C 1 ATOM 1228 O O . LYS A 1 156 ? 15.570 5.916 48.551 1.00 43.72 ? 156 LYS A O 1 ATOM 1229 C CB . LYS A 1 156 ? 14.542 7.170 51.176 1.00 49.53 ? 156 LYS A CB 1 ATOM 1230 C CG . LYS A 1 156 ? 14.921 8.008 52.386 1.00 49.88 ? 156 LYS A CG 1 ATOM 1231 C CD . LYS A 1 156 ? 15.335 7.142 53.577 1.00 52.54 ? 156 LYS A CD 1 ATOM 1232 C CE . LYS A 1 156 ? 15.964 7.976 54.687 1.00 53.02 ? 156 LYS A CE 1 ATOM 1233 N NZ . LYS A 1 156 ? 17.165 8.724 54.220 1.00 52.89 ? 156 LYS A NZ 1 ATOM 1234 N N . CYS A 1 157 ? 13.737 7.026 47.852 1.00 48.20 ? 157 CYS A N 1 ATOM 1235 C CA . CYS A 1 157 ? 13.518 6.095 46.734 1.00 49.19 ? 157 CYS A CA 1 ATOM 1236 C C . CYS A 1 157 ? 12.625 6.627 45.617 1.00 48.20 ? 157 CYS A C 1 ATOM 1237 O O . CYS A 1 157 ? 12.108 7.743 45.683 1.00 48.90 ? 157 CYS A O 1 ATOM 1238 C CB . CYS A 1 157 ? 12.822 4.836 47.265 1.00 49.41 ? 157 CYS A CB 1 ATOM 1239 S SG . CYS A 1 157 ? 11.040 5.050 47.579 1.00 52.51 ? 157 CYS A SG 1 ATOM 1240 N N . MET A 1 158 ? 12.495 5.829 44.595 1.00 46.33 ? 158 MET A N 1 ATOM 1241 C CA . MET A 1 158 ? 11.661 6.093 43.450 1.00 44.08 ? 158 MET A CA 1 ATOM 1242 C C . MET A 1 158 ? 10.655 4.988 43.610 1.00 43.76 ? 158 MET A C 1 ATOM 1243 O O . MET A 1 158 ? 11.034 3.907 44.034 1.00 42.44 ? 158 MET A O 1 ATOM 1244 C CB . MET A 1 158 ? 12.442 6.012 42.124 1.00 43.71 ? 158 MET A CB 1 ATOM 1245 C CG . MET A 1 158 ? 13.485 7.108 41.981 1.00 46.23 ? 158 MET A CG 1 ATOM 1246 S SD . MET A 1 158 ? 14.354 7.127 40.389 1.00 46.81 ? 158 MET A SD 1 ATOM 1247 C CE . MET A 1 158 ? 15.054 8.772 40.393 1.00 47.54 ? 158 MET A CE 1 ATOM 1248 N N . PRO A 1 159 ? 9.364 5.180 43.129 1.00 43.44 ? 159 PRO A N 1 ATOM 1249 C CA . PRO A 1 159 ? 8.308 4.058 43.055 1.00 42.84 ? 159 PRO A CA 1 ATOM 1250 C C . PRO A 1 159 ? 8.551 2.856 42.143 1.00 41.73 ? 159 PRO A C 1 ATOM 1251 O O . PRO A 1 159 ? 9.085 3.054 41.037 1.00 43.04 ? 159 PRO A O 1 ATOM 1252 C CB . PRO A 1 159 ? 7.104 4.720 42.506 1.00 42.05 ? 159 PRO A CB 1 ATOM 1253 C CG . PRO A 1 159 ? 7.136 5.990 43.279 1.00 42.00 ? 159 PRO A CG 1 ATOM 1254 C CD . PRO A 1 159 ? 8.555 6.266 43.679 1.00 43.36 ? 159 PRO A CD 1 ATOM 1255 N N . PHE A 1 160 ? 8.205 1.606 42.430 1.00 39.14 ? 160 PHE A N 1 ATOM 1256 C CA . PHE A 1 160 ? 8.303 0.584 41.352 1.00 38.05 ? 160 PHE A CA 1 ATOM 1257 C C . PHE A 1 160 ? 7.446 -0.586 41.825 1.00 38.93 ? 160 PHE A C 1 ATOM 1258 O O . PHE A 1 160 ? 7.865 -1.397 42.644 1.00 41.09 ? 160 PHE A O 1 ATOM 1259 C CB . PHE A 1 160 ? 9.754 0.187 40.998 1.00 34.56 ? 160 PHE A CB 1 ATOM 1260 C CG . PHE A 1 160 ? 9.950 -0.996 40.057 1.00 31.79 ? 160 PHE A CG 1 ATOM 1261 C CD1 . PHE A 1 160 ? 10.544 -0.825 38.811 1.00 29.21 ? 160 PHE A CD1 1 ATOM 1262 C CD2 . PHE A 1 160 ? 9.601 -2.274 40.440 1.00 32.43 ? 160 PHE A CD2 1 ATOM 1263 C CE1 . PHE A 1 160 ? 10.793 -1.900 37.963 1.00 27.45 ? 160 PHE A CE1 1 ATOM 1264 C CE2 . PHE A 1 160 ? 9.845 -3.373 39.628 1.00 30.13 ? 160 PHE A CE2 1 ATOM 1265 C CZ . PHE A 1 160 ? 10.446 -3.186 38.381 1.00 29.42 ? 160 PHE A CZ 1 ATOM 1266 N N . PHE A 1 161 ? 6.257 -0.686 41.302 1.00 38.93 ? 161 PHE A N 1 ATOM 1267 C CA . PHE A 1 161 ? 5.383 -1.757 41.695 1.00 39.46 ? 161 PHE A CA 1 ATOM 1268 C C . PHE A 1 161 ? 5.571 -2.902 40.720 1.00 38.66 ? 161 PHE A C 1 ATOM 1269 O O . PHE A 1 161 ? 5.720 -2.666 39.517 1.00 38.78 ? 161 PHE A O 1 ATOM 1270 C CB . PHE A 1 161 ? 3.925 -1.257 41.762 1.00 40.70 ? 161 PHE A CB 1 ATOM 1271 C CG . PHE A 1 161 ? 3.764 0.170 42.198 1.00 41.26 ? 161 PHE A CG 1 ATOM 1272 C CD1 . PHE A 1 161 ? 4.754 1.125 41.969 1.00 42.76 ? 161 PHE A CD1 1 ATOM 1273 C CD2 . PHE A 1 161 ? 2.608 0.579 42.828 1.00 42.25 ? 161 PHE A CD2 1 ATOM 1274 C CE1 . PHE A 1 161 ? 4.604 2.454 42.350 1.00 40.24 ? 161 PHE A CE1 1 ATOM 1275 C CE2 . PHE A 1 161 ? 2.449 1.911 43.211 1.00 43.38 ? 161 PHE A CE2 1 ATOM 1276 C CZ . PHE A 1 161 ? 3.430 2.848 42.967 1.00 39.67 ? 161 PHE A CZ 1 ATOM 1277 N N . ARG A 1 162 ? 5.579 -4.141 41.199 1.00 39.01 ? 162 ARG A N 1 ATOM 1278 C CA . ARG A 1 162 ? 5.805 -5.237 40.269 1.00 39.34 ? 162 ARG A CA 1 ATOM 1279 C C . ARG A 1 162 ? 4.691 -5.439 39.259 1.00 40.51 ? 162 ARG A C 1 ATOM 1280 O O . ARG A 1 162 ? 3.537 -5.032 39.467 1.00 39.51 ? 162 ARG A O 1 ATOM 1281 C CB . ARG A 1 162 ? 6.081 -6.558 41.000 1.00 39.23 ? 162 ARG A CB 1 ATOM 1282 C CG . ARG A 1 162 ? 6.303 -6.442 42.491 1.00 39.74 ? 162 ARG A CG 1 ATOM 1283 C CD . ARG A 1 162 ? 7.193 -7.562 43.006 1.00 39.81 ? 162 ARG A CD 1 ATOM 1284 N NE . ARG A 1 162 ? 7.628 -8.504 41.973 1.00 40.90 ? 162 ARG A NE 1 ATOM 1285 C CZ . ARG A 1 162 ? 7.809 -9.811 42.181 1.00 43.29 ? 162 ARG A CZ 1 ATOM 1286 N NH1 . ARG A 1 162 ? 7.588 -10.329 43.381 1.00 42.10 ? 162 ARG A NH1 1 ATOM 1287 N NH2 . ARG A 1 162 ? 8.208 -10.598 41.192 1.00 40.27 ? 162 ARG A NH2 1 ATOM 1288 N N . ALA A 1 163 ? 5.076 -6.105 38.174 1.00 43.10 ? 163 ALA A N 1 ATOM 1289 C CA . ALA A 1 163 ? 4.230 -6.421 37.028 1.00 45.31 ? 163 ALA A CA 1 ATOM 1290 C C . ALA A 1 163 ? 3.134 -7.475 37.178 1.00 46.71 ? 163 ALA A C 1 ATOM 1291 O O . ALA A 1 163 ? 3.235 -8.417 37.982 1.00 48.33 ? 163 ALA A O 1 ATOM 1292 C CB . ALA A 1 163 ? 5.124 -6.807 35.872 1.00 44.58 ? 163 ALA A CB 1 ATOM 1293 N N . GLY A 1 164 ? 2.095 -7.310 36.358 1.00 48.38 ? 164 GLY A N 1 ATOM 1294 C CA . GLY A 1 164 ? 0.991 -8.245 36.365 1.00 47.76 ? 164 GLY A CA 1 ATOM 1295 C C . GLY A 1 164 ? 1.511 -9.626 36.070 1.00 49.44 ? 164 GLY A C 1 ATOM 1296 O O . GLY A 1 164 ? 2.330 -9.807 35.168 1.00 47.53 ? 164 GLY A O 1 ATOM 1297 N N . PHE A 1 165 ? 1.079 -10.589 36.877 1.00 52.36 ? 165 PHE A N 1 ATOM 1298 C CA . PHE A 1 165 ? 1.460 -11.986 36.701 1.00 53.58 ? 165 PHE A CA 1 ATOM 1299 C C . PHE A 1 165 ? 0.148 -12.738 36.560 1.00 56.44 ? 165 PHE A C 1 ATOM 1300 O O . PHE A 1 165 ? -0.887 -12.243 37.001 1.00 56.10 ? 165 PHE A O 1 ATOM 1301 C CB . PHE A 1 165 ? 2.281 -12.492 37.900 1.00 51.55 ? 165 PHE A CB 1 ATOM 1302 C CG . PHE A 1 165 ? 1.646 -12.224 39.241 1.00 51.22 ? 165 PHE A CG 1 ATOM 1303 C CD1 . PHE A 1 165 ? 0.936 -13.220 39.916 1.00 51.08 ? 165 PHE A CD1 1 ATOM 1304 C CD2 . PHE A 1 165 ? 1.767 -10.971 39.838 1.00 50.46 ? 165 PHE A CD2 1 ATOM 1305 C CE1 . PHE A 1 165 ? 0.364 -12.965 41.161 1.00 50.82 ? 165 PHE A CE1 1 ATOM 1306 C CE2 . PHE A 1 165 ? 1.197 -10.711 41.076 1.00 50.74 ? 165 PHE A CE2 1 ATOM 1307 C CZ . PHE A 1 165 ? 0.499 -11.706 41.738 1.00 51.32 ? 165 PHE A CZ 1 ATOM 1308 N N . VAL A 1 166 ? 0.179 -13.919 35.948 1.00 60.72 ? 166 VAL A N 1 ATOM 1309 C CA . VAL A 1 166 ? -1.075 -14.632 35.729 1.00 64.37 ? 166 VAL A CA 1 ATOM 1310 C C . VAL A 1 166 ? -1.756 -15.566 36.688 1.00 68.30 ? 166 VAL A C 1 ATOM 1311 O O . VAL A 1 166 ? -1.550 -15.539 37.919 1.00 67.97 ? 166 VAL A O 1 ATOM 1312 C CB . VAL A 1 166 ? -1.111 -15.425 34.408 1.00 63.27 ? 166 VAL A CB 1 ATOM 1313 C CG1 . VAL A 1 166 ? -0.934 -14.554 33.260 1.00 62.15 ? 166 VAL A CG1 1 ATOM 1314 C CG2 . VAL A 1 166 ? -0.077 -16.532 34.444 1.00 64.28 ? 166 VAL A CG2 1 ATOM 1315 N N . CYS A 1 167 ? -2.493 -16.428 36.009 1.00 74.11 ? 167 CYS A N 1 ATOM 1316 C CA . CYS A 1 167 ? -3.411 -17.162 36.778 1.00 79.13 ? 167 CYS A CA 1 ATOM 1317 C C . CYS A 1 167 ? -4.094 -15.852 37.376 1.00 80.71 ? 167 CYS A C 1 ATOM 1318 O O . CYS A 1 167 ? -4.366 -14.923 36.609 1.00 80.29 ? 167 CYS A O 1 ATOM 1319 C CB . CYS A 1 167 ? -2.789 -18.267 37.654 1.00 81.63 ? 167 CYS A CB 1 ATOM 1320 S SG . CYS A 1 167 ? -2.436 -19.828 36.785 1.00 86.84 ? 167 CYS A SG 1 ATOM 1321 N N . PRO A 1 168 ? -4.346 -15.758 38.699 1.00 82.14 ? 168 PRO A N 1 ATOM 1322 C CA . PRO A 1 168 ? -5.023 -14.562 39.398 1.00 84.02 ? 168 PRO A CA 1 ATOM 1323 C C . PRO A 1 168 ? -4.370 -13.173 39.217 1.00 86.60 ? 168 PRO A C 1 ATOM 1324 O O . PRO A 1 168 ? -4.118 -12.723 38.102 1.00 87.62 ? 168 PRO A O 1 ATOM 1325 C CB . PRO A 1 168 ? -5.121 -15.098 40.802 1.00 83.62 ? 168 PRO A CB 1 ATOM 1326 C CG . PRO A 1 168 ? -5.447 -16.559 40.567 1.00 82.84 ? 168 PRO A CG 1 ATOM 1327 C CD . PRO A 1 168 ? -4.899 -16.988 39.241 1.00 82.03 ? 168 PRO A CD 1 ATOM 1328 N N . THR A 1 169 ? -4.132 -12.539 40.330 1.00 89.14 ? 169 THR A N 1 ATOM 1329 C CA . THR A 1 169 ? -3.347 -11.340 40.522 1.00 91.83 ? 169 THR A CA 1 ATOM 1330 C C . THR A 1 169 ? -3.194 -11.535 41.964 1.00 93.40 ? 169 THR A C 1 ATOM 1331 O O . THR A 1 169 ? -2.171 -11.247 42.559 1.00 94.03 ? 169 THR A O 1 ATOM 1332 C CB . THR A 1 169 ? -3.950 -9.960 40.234 1.00 91.94 ? 169 THR A CB 1 ATOM 1333 O OG1 . THR A 1 169 ? -3.432 -9.459 38.995 1.00 92.26 ? 169 THR A OG1 1 ATOM 1334 C CG2 . THR A 1 169 ? -3.628 -8.998 41.369 1.00 91.88 ? 169 THR A CG2 1 ATOM 1335 N N . PRO A 1 170 ? -4.265 -12.020 42.572 1.00 94.87 ? 170 PRO A N 1 ATOM 1336 C CA . PRO A 1 170 ? -4.122 -12.373 43.975 1.00 96.01 ? 170 PRO A CA 1 ATOM 1337 C C . PRO A 1 170 ? -2.877 -13.319 44.122 1.00 96.88 ? 170 PRO A C 1 ATOM 1338 O O . PRO A 1 170 ? -2.623 -14.191 43.289 1.00 97.38 ? 170 PRO A O 1 ATOM 1339 C CB . PRO A 1 170 ? -5.542 -12.777 44.316 1.00 95.77 ? 170 PRO A CB 1 ATOM 1340 C CG . PRO A 1 170 ? -6.383 -11.836 43.486 1.00 95.60 ? 170 PRO A CG 1 ATOM 1341 C CD . PRO A 1 170 ? -5.565 -11.401 42.284 1.00 95.40 ? 170 PRO A CD 1 ATOM 1342 N N . PRO A 1 171 ? -2.153 -13.078 45.225 1.00 97.34 ? 171 PRO A N 1 ATOM 1343 C CA . PRO A 1 171 ? -0.796 -13.757 45.635 1.00 97.56 ? 171 PRO A CA 1 ATOM 1344 C C . PRO A 1 171 ? -0.337 -15.276 45.442 1.00 97.69 ? 171 PRO A C 1 ATOM 1345 O O . PRO A 1 171 ? -0.632 -16.092 46.326 1.00 98.82 ? 171 PRO A O 1 ATOM 1346 C CB . PRO A 1 171 ? -0.631 -13.191 47.037 1.00 97.60 ? 171 PRO A CB 1 ATOM 1347 C CG . PRO A 1 171 ? -1.127 -11.768 46.847 1.00 97.66 ? 171 PRO A CG 1 ATOM 1348 C CD . PRO A 1 171 ? -2.254 -11.776 45.861 1.00 97.51 ? 171 PRO A CD 1 ATOM 1349 N N . TYR A 1 172 ? 0.355 -15.697 44.367 1.00 96.93 ? 172 TYR A N 1 ATOM 1350 C CA . TYR A 1 172 ? 0.574 -17.179 44.290 1.00 96.12 ? 172 TYR A CA 1 ATOM 1351 C C . TYR A 1 172 ? 1.709 -17.840 45.013 1.00 94.85 ? 172 TYR A C 1 ATOM 1352 O O . TYR A 1 172 ? 2.522 -17.200 45.698 1.00 95.02 ? 172 TYR A O 1 ATOM 1353 C CB . TYR A 1 172 ? 0.624 -17.678 42.862 1.00 97.03 ? 172 TYR A CB 1 ATOM 1354 C CG . TYR A 1 172 ? -0.506 -18.682 42.750 1.00 98.40 ? 172 TYR A CG 1 ATOM 1355 C CD1 . TYR A 1 172 ? -1.401 -18.708 43.828 1.00 98.99 ? 172 TYR A CD1 1 ATOM 1356 C CD2 . TYR A 1 172 ? -0.733 -19.545 41.685 1.00 98.99 ? 172 TYR A CD2 1 ATOM 1357 C CE1 . TYR A 1 172 ? -2.497 -19.517 43.846 1.00 99.26 ? 172 TYR A CE1 1 ATOM 1358 C CE2 . TYR A 1 172 ? -1.837 -20.360 41.684 1.00 99.35 ? 172 TYR A CE2 1 ATOM 1359 C CZ . TYR A 1 172 ? -2.727 -20.350 42.767 1.00 99.62 ? 172 TYR A CZ 1 ATOM 1360 O OH . TYR A 1 172 ? -3.839 -21.168 42.739 1.00 99.98 ? 172 TYR A OH 1 ATOM 1361 N N . GLN A 1 173 ? 1.753 -19.131 44.848 1.00 92.81 ? 173 GLN A N 1 ATOM 1362 C CA . GLN A 1 173 ? 2.682 -19.773 45.676 1.00 90.53 ? 173 GLN A CA 1 ATOM 1363 C C . GLN A 1 173 ? 3.173 -21.200 45.424 1.00 87.67 ? 173 GLN A C 1 ATOM 1364 O O . GLN A 1 173 ? 3.624 -21.802 46.392 1.00 87.68 ? 173 GLN A O 1 ATOM 1365 C CB . GLN A 1 173 ? 2.039 -19.743 47.058 1.00 91.57 ? 173 GLN A CB 1 ATOM 1366 C CG . GLN A 1 173 ? 1.412 -21.067 47.517 1.00 92.57 ? 173 GLN A CG 1 ATOM 1367 C CD . GLN A 1 173 ? 0.363 -21.703 46.599 1.00 93.13 ? 173 GLN A CD 1 ATOM 1368 O OE1 . GLN A 1 173 ? 0.299 -21.417 45.405 1.00 93.38 ? 173 GLN A OE1 1 ATOM 1369 N NE2 . GLN A 1 173 ? -0.561 -22.596 46.948 1.00 93.47 ? 173 GLN A NE2 1 ATOM 1370 N N . SER A 1 174 ? 3.151 -21.847 44.257 1.00 83.55 ? 174 SER A N 1 ATOM 1371 C CA . SER A 1 174 ? 3.700 -23.258 44.352 1.00 80.07 ? 174 SER A CA 1 ATOM 1372 C C . SER A 1 174 ? 4.683 -23.817 43.219 1.00 76.84 ? 174 SER A C 1 ATOM 1373 O O . SER A 1 174 ? 5.389 -24.806 43.441 1.00 76.14 ? 174 SER A O 1 ATOM 1374 C CB . SER A 1 174 ? 2.501 -24.206 44.570 1.00 81.14 ? 174 SER A CB 1 ATOM 1375 O OG . SER A 1 174 ? 2.022 -24.143 45.907 1.00 81.28 ? 174 SER A OG 1 ATOM 1376 N N . LEU A 1 175 ? 4.657 -23.164 42.029 1.00 72.59 ? 175 LEU A N 1 ATOM 1377 C CA . LEU A 1 175 ? 5.502 -23.329 40.818 1.00 68.50 ? 175 LEU A CA 1 ATOM 1378 C C . LEU A 1 175 ? 5.633 -21.871 40.340 1.00 64.93 ? 175 LEU A C 1 ATOM 1379 O O . LEU A 1 175 ? 5.054 -20.962 40.933 1.00 64.24 ? 175 LEU A O 1 ATOM 1380 C CB . LEU A 1 175 ? 4.974 -24.273 39.697 1.00 68.94 ? 175 LEU A CB 1 ATOM 1381 C CG . LEU A 1 175 ? 5.810 -24.346 38.402 1.00 68.14 ? 175 LEU A CG 1 ATOM 1382 C CD1 . LEU A 1 175 ? 6.527 -25.689 38.299 1.00 69.77 ? 175 LEU A CD1 1 ATOM 1383 C CD2 . LEU A 1 175 ? 4.939 -24.093 37.183 1.00 68.67 ? 175 LEU A CD2 1 ATOM 1384 N N . ALA A 1 176 ? 6.419 -21.641 39.294 1.00 61.70 ? 176 ALA A N 1 ATOM 1385 C CA . ALA A 1 176 ? 6.827 -20.293 38.744 1.00 58.27 ? 176 ALA A CA 1 ATOM 1386 C C . ALA A 1 176 ? 5.787 -19.142 38.524 1.00 55.83 ? 176 ALA A C 1 ATOM 1387 O O . ALA A 1 176 ? 4.599 -19.403 38.304 1.00 55.76 ? 176 ALA A O 1 ATOM 1388 C CB . ALA A 1 176 ? 7.561 -20.543 37.438 1.00 59.28 ? 176 ALA A CB 1 ATOM 1389 N N . ARG A 1 177 ? 6.258 -17.891 38.597 1.00 52.47 ? 177 ARG A N 1 ATOM 1390 C CA . ARG A 1 177 ? 5.460 -16.659 38.417 1.00 49.01 ? 177 ARG A CA 1 ATOM 1391 C C . ARG A 1 177 ? 5.602 -16.089 37.021 1.00 47.55 ? 177 ARG A C 1 ATOM 1392 O O . ARG A 1 177 ? 6.717 -15.734 36.621 1.00 46.93 ? 177 ARG A O 1 ATOM 1393 C CB . ARG A 1 177 ? 5.889 -15.611 39.430 1.00 47.07 ? 177 ARG A CB 1 ATOM 1394 C CG . ARG A 1 177 ? 5.448 -14.220 39.072 1.00 45.25 ? 177 ARG A CG 1 ATOM 1395 C CD . ARG A 1 177 ? 4.824 -13.581 40.278 1.00 43.36 ? 177 ARG A CD 1 ATOM 1396 N NE . ARG A 1 177 ? 4.979 -12.144 40.242 1.00 41.40 ? 177 ARG A NE 1 ATOM 1397 C CZ . ARG A 1 177 ? 4.787 -11.377 41.303 1.00 39.96 ? 177 ARG A CZ 1 ATOM 1398 N NH1 . ARG A 1 177 ? 4.440 -11.936 42.457 1.00 40.55 ? 177 ARG A NH1 1 ATOM 1399 N NH2 . ARG A 1 177 ? 4.939 -10.066 41.219 1.00 39.21 ? 177 ARG A NH2 1 ATOM 1400 N N . GLU A 1 178 ? 4.493 -16.000 36.292 1.00 45.12 ? 178 GLU A N 1 ATOM 1401 C CA . GLU A 1 178 ? 4.564 -15.500 34.925 1.00 42.68 ? 178 GLU A CA 1 ATOM 1402 C C . GLU A 1 178 ? 3.808 -14.198 34.629 1.00 39.68 ? 178 GLU A C 1 ATOM 1403 O O . GLU A 1 178 ? 2.577 -14.121 34.744 1.00 38.58 ? 178 GLU A O 1 ATOM 1404 C CB . GLU A 1 178 ? 4.122 -16.609 33.987 1.00 44.38 ? 178 GLU A CB 1 ATOM 1405 C CG . GLU A 1 178 ? 4.690 -17.981 34.344 1.00 43.99 ? 178 GLU A CG 1 ATOM 1406 C CD . GLU A 1 178 ? 6.201 -18.080 34.298 1.00 46.75 ? 178 GLU A CD 1 ATOM 1407 O OE1 . GLU A 1 178 ? 6.879 -17.031 34.305 1.00 46.43 ? 178 GLU A OE1 1 ATOM 1408 O OE2 . GLU A 1 178 ? 6.719 -19.217 34.242 1.00 47.99 ? 178 GLU A OE2 1 ATOM 1409 N N . GLN A 1 179 ? 4.569 -13.174 34.242 1.00 36.22 ? 179 GLN A N 1 ATOM 1410 C CA . GLN A 1 179 ? 4.012 -11.870 33.884 1.00 33.03 ? 179 GLN A CA 1 ATOM 1411 C C . GLN A 1 179 ? 3.187 -12.061 32.610 1.00 33.69 ? 179 GLN A C 1 ATOM 1412 O O . GLN A 1 179 ? 3.409 -13.011 31.847 1.00 33.63 ? 179 GLN A O 1 ATOM 1413 C CB . GLN A 1 179 ? 5.133 -10.845 33.610 1.00 31.00 ? 179 GLN A CB 1 ATOM 1414 C CG . GLN A 1 179 ? 5.959 -10.376 34.823 1.00 29.48 ? 179 GLN A CG 1 ATOM 1415 C CD . GLN A 1 179 ? 6.819 -11.465 35.476 1.00 25.59 ? 179 GLN A CD 1 ATOM 1416 O OE1 . GLN A 1 179 ? 7.403 -12.307 34.809 1.00 23.52 ? 179 GLN A OE1 1 ATOM 1417 N NE2 . GLN A 1 179 ? 6.908 -11.426 36.790 1.00 27.25 ? 179 GLN A NE2 1 ATOM 1418 N N . ILE A 1 180 ? 2.248 -11.149 32.376 1.00 33.51 ? 180 ILE A N 1 ATOM 1419 C CA . ILE A 1 180 ? 1.368 -11.199 31.220 1.00 33.00 ? 180 ILE A CA 1 ATOM 1420 C C . ILE A 1 180 ? 1.720 -10.217 30.108 1.00 33.69 ? 180 ILE A C 1 ATOM 1421 O O . ILE A 1 180 ? 2.344 -9.182 30.348 1.00 30.91 ? 180 ILE A O 1 ATOM 1422 C CB . ILE A 1 180 ? -0.067 -10.872 31.629 1.00 33.57 ? 180 ILE A CB 1 ATOM 1423 C CG1 . ILE A 1 180 ? -0.535 -11.858 32.690 1.00 33.63 ? 180 ILE A CG1 1 ATOM 1424 C CG2 . ILE A 1 180 ? -0.990 -10.920 30.399 1.00 33.76 ? 180 ILE A CG2 1 ATOM 1425 C CD1 . ILE A 1 180 ? -1.518 -11.300 33.672 1.00 33.51 ? 180 ILE A CD1 1 ATOM 1426 N N . ASN A 1 181 ? 1.331 -10.562 28.886 1.00 33.42 ? 181 ASN A N 1 ATOM 1427 C CA . ASN A 1 181 ? 1.516 -9.675 27.766 1.00 33.95 ? 181 ASN A CA 1 ATOM 1428 C C . ASN A 1 181 ? 0.072 -9.270 27.473 1.00 36.85 ? 181 ASN A C 1 ATOM 1429 O O . ASN A 1 181 ? -0.758 -10.117 27.115 1.00 35.81 ? 181 ASN A O 1 ATOM 1430 C CB . ASN A 1 181 ? 2.086 -10.414 26.569 1.00 30.25 ? 181 ASN A CB 1 ATOM 1431 C CG . ASN A 1 181 ? 2.330 -9.490 25.392 1.00 29.78 ? 181 ASN A CG 1 ATOM 1432 O OD1 . ASN A 1 181 ? 1.951 -8.320 25.448 1.00 31.58 ? 181 ASN A OD1 1 ATOM 1433 N ND2 . ASN A 1 181 ? 2.962 -9.998 24.324 1.00 26.27 ? 181 ASN A ND2 1 ATOM 1434 N N . ALA A 1 182 ? -0.235 -7.987 27.641 1.00 37.51 ? 182 ALA A N 1 ATOM 1435 C CA . ALA A 1 182 ? -1.589 -7.517 27.413 1.00 39.13 ? 182 ALA A CA 1 ATOM 1436 C C . ALA A 1 182 ? -1.906 -7.076 25.991 1.00 39.64 ? 182 ALA A C 1 ATOM 1437 O O . ALA A 1 182 ? -2.911 -6.396 25.761 1.00 41.96 ? 182 ALA A O 1 ATOM 1438 C CB . ALA A 1 182 ? -1.947 -6.410 28.417 1.00 37.77 ? 182 ALA A CB 1 ATOM 1439 N N . VAL A 1 183 ? -1.042 -7.430 25.044 1.00 38.35 ? 183 VAL A N 1 ATOM 1440 C CA . VAL A 1 183 ? -1.314 -7.139 23.636 1.00 37.42 ? 183 VAL A CA 1 ATOM 1441 C C . VAL A 1 183 ? -1.045 -8.429 22.864 1.00 36.39 ? 183 VAL A C 1 ATOM 1442 O O . VAL A 1 183 ? -0.528 -9.384 23.433 1.00 35.03 ? 183 VAL A O 1 ATOM 1443 C CB . VAL A 1 183 ? -0.452 -5.963 23.024 1.00 36.92 ? 183 VAL A CB 1 ATOM 1444 C CG1 . VAL A 1 183 ? -0.871 -4.631 23.647 1.00 37.00 ? 183 VAL A CG1 1 ATOM 1445 C CG2 . VAL A 1 183 ? 1.033 -6.202 23.208 1.00 36.29 ? 183 VAL A CG2 1 ATOM 1446 N N . THR A 1 184 ? -1.394 -8.461 21.578 1.00 35.85 ? 184 THR A N 1 ATOM 1447 C CA . THR A 1 184 ? -1.189 -9.669 20.779 1.00 34.28 ? 184 THR A CA 1 ATOM 1448 C C . THR A 1 184 ? 0.236 -9.852 20.332 1.00 34.54 ? 184 THR A C 1 ATOM 1449 O O . THR A 1 184 ? 0.836 -8.959 19.763 1.00 34.62 ? 184 THR A O 1 ATOM 1450 C CB . THR A 1 184 ? -2.094 -9.711 19.499 1.00 33.36 ? 184 THR A CB 1 ATOM 1451 O OG1 . THR A 1 184 ? -1.756 -8.642 18.613 1.00 30.38 ? 184 THR A OG1 1 ATOM 1452 C CG2 . THR A 1 184 ? -3.562 -9.604 19.870 1.00 31.92 ? 184 THR A CG2 1 ATOM 1453 N N . SER A 1 185 ? 0.772 -11.041 20.563 1.00 37.15 ? 185 SER A N 1 ATOM 1454 C CA . SER A 1 185 ? 2.151 -11.323 20.166 1.00 37.68 ? 185 SER A CA 1 ATOM 1455 C C . SER A 1 185 ? 2.398 -11.087 18.664 1.00 39.12 ? 185 SER A C 1 ATOM 1456 O O . SER A 1 185 ? 3.551 -10.998 18.221 1.00 40.36 ? 185 SER A O 1 ATOM 1457 C CB . SER A 1 185 ? 2.545 -12.765 20.510 1.00 36.75 ? 185 SER A CB 1 ATOM 1458 O OG . SER A 1 185 ? 2.485 -12.999 21.906 1.00 36.48 ? 185 SER A OG 1 ATOM 1459 N N . PHE A 1 186 ? 1.320 -10.969 17.888 1.00 39.73 ? 186 PHE A N 1 ATOM 1460 C CA . PHE A 1 186 ? 1.409 -10.772 16.447 1.00 39.20 ? 186 PHE A CA 1 ATOM 1461 C C . PHE A 1 186 ? 1.680 -9.346 16.011 1.00 39.09 ? 186 PHE A C 1 ATOM 1462 O O . PHE A 1 186 ? 1.231 -8.415 16.630 1.00 36.95 ? 186 PHE A O 1 ATOM 1463 C CB . PHE A 1 186 ? 0.108 -11.230 15.766 1.00 39.53 ? 186 PHE A CB 1 ATOM 1464 C CG . PHE A 1 186 ? -0.235 -12.668 16.015 1.00 40.43 ? 186 PHE A CG 1 ATOM 1465 C CD1 . PHE A 1 186 ? -1.029 -13.022 17.099 1.00 39.01 ? 186 PHE A CD1 1 ATOM 1466 C CD2 . PHE A 1 186 ? 0.323 -13.676 15.226 1.00 37.96 ? 186 PHE A CD2 1 ATOM 1467 C CE1 . PHE A 1 186 ? -1.254 -14.365 17.405 1.00 40.59 ? 186 PHE A CE1 1 ATOM 1468 C CE2 . PHE A 1 186 ? 0.108 -15.009 15.523 1.00 38.28 ? 186 PHE A CE2 1 ATOM 1469 C CZ . PHE A 1 186 ? -0.678 -15.358 16.611 1.00 39.43 ? 186 PHE A CZ 1 ATOM 1470 N N . LEU A 1 187 ? 2.422 -9.179 14.925 1.00 40.10 ? 187 LEU A N 1 ATOM 1471 C CA . LEU A 1 187 ? 2.676 -7.841 14.407 1.00 40.65 ? 187 LEU A CA 1 ATOM 1472 C C . LEU A 1 187 ? 1.398 -7.706 13.585 1.00 41.37 ? 187 LEU A C 1 ATOM 1473 O O . LEU A 1 187 ? 1.304 -8.227 12.471 1.00 43.88 ? 187 LEU A O 1 ATOM 1474 C CB . LEU A 1 187 ? 3.909 -7.869 13.525 1.00 40.48 ? 187 LEU A CB 1 ATOM 1475 C CG . LEU A 1 187 ? 4.726 -6.592 13.329 1.00 40.60 ? 187 LEU A CG 1 ATOM 1476 C CD1 . LEU A 1 187 ? 5.193 -6.560 11.889 1.00 40.07 ? 187 LEU A CD1 1 ATOM 1477 C CD2 . LEU A 1 187 ? 3.910 -5.354 13.651 1.00 39.92 ? 187 LEU A CD2 1 ATOM 1478 N N . ASP A 1 188 ? 0.403 -7.033 14.157 1.00 41.29 ? 188 ASP A N 1 ATOM 1479 C CA . ASP A 1 188 ? -0.914 -6.918 13.535 1.00 40.29 ? 188 ASP A CA 1 ATOM 1480 C C . ASP A 1 188 ? -1.627 -5.569 13.698 1.00 40.90 ? 188 ASP A C 1 ATOM 1481 O O . ASP A 1 188 ? -2.831 -5.475 13.422 1.00 41.39 ? 188 ASP A O 1 ATOM 1482 C CB . ASP A 1 188 ? -1.794 -7.978 14.161 1.00 41.24 ? 188 ASP A CB 1 ATOM 1483 C CG . ASP A 1 188 ? -1.948 -7.762 15.640 1.00 41.37 ? 188 ASP A CG 1 ATOM 1484 O OD1 . ASP A 1 188 ? -1.577 -6.666 16.094 1.00 41.08 ? 188 ASP A OD1 1 ATOM 1485 O OD2 . ASP A 1 188 ? -2.428 -8.658 16.337 1.00 43.71 ? 188 ASP A OD2 1 ATOM 1486 N N . ALA A 1 189 ? -0.910 -4.541 14.148 1.00 38.28 ? 189 ALA A N 1 ATOM 1487 C CA . ALA A 1 189 ? -1.504 -3.220 14.347 1.00 37.53 ? 189 ALA A CA 1 ATOM 1488 C C . ALA A 1 189 ? -2.351 -3.130 15.599 1.00 37.74 ? 189 ALA A C 1 ATOM 1489 O O . ALA A 1 189 ? -3.071 -2.150 15.786 1.00 35.69 ? 189 ALA A O 1 ATOM 1490 C CB . ALA A 1 189 ? -2.365 -2.835 13.148 1.00 37.26 ? 189 ALA A CB 1 ATOM 1491 N N . SER A 1 190 ? -2.315 -4.149 16.448 1.00 36.43 ? 190 SER A N 1 ATOM 1492 C CA . SER A 1 190 ? -3.111 -4.101 17.685 1.00 37.19 ? 190 SER A CA 1 ATOM 1493 C C . SER A 1 190 ? -2.945 -2.727 18.338 1.00 37.27 ? 190 SER A C 1 ATOM 1494 O O . SER A 1 190 ? -3.830 -2.276 19.048 1.00 39.16 ? 190 SER A O 1 ATOM 1495 C CB . SER A 1 190 ? -2.650 -5.177 18.637 1.00 35.37 ? 190 SER A CB 1 ATOM 1496 O OG . SER A 1 190 ? -1.253 -5.132 18.682 1.00 38.71 ? 190 SER A OG 1 ATOM 1497 N N . LEU A 1 191 ? -1.837 -2.045 18.053 1.00 39.12 ? 191 LEU A N 1 ATOM 1498 C CA . LEU A 1 191 ? -1.591 -0.710 18.615 1.00 41.06 ? 191 LEU A CA 1 ATOM 1499 C C . LEU A 1 191 ? -2.538 0.370 18.077 1.00 41.36 ? 191 LEU A C 1 ATOM 1500 O O . LEU A 1 191 ? -2.733 1.398 18.729 1.00 40.97 ? 191 LEU A O 1 ATOM 1501 C CB . LEU A 1 191 ? -0.140 -0.247 18.377 1.00 41.61 ? 191 LEU A CB 1 ATOM 1502 C CG . LEU A 1 191 ? 0.268 0.488 17.086 1.00 43.04 ? 191 LEU A CG 1 ATOM 1503 C CD1 . LEU A 1 191 ? 1.643 1.130 17.274 1.00 41.66 ? 191 LEU A CD1 1 ATOM 1504 C CD2 . LEU A 1 191 ? 0.285 -0.484 15.909 1.00 43.01 ? 191 LEU A CD2 1 ATOM 1505 N N . VAL A 1 192 ? -3.111 0.144 16.897 1.00 42.54 ? 192 VAL A N 1 ATOM 1506 C CA . VAL A 1 192 ? -4.042 1.092 16.290 1.00 42.68 ? 192 VAL A CA 1 ATOM 1507 C C . VAL A 1 192 ? -5.476 0.741 16.615 1.00 42.67 ? 192 VAL A C 1 ATOM 1508 O O . VAL A 1 192 ? -6.269 1.586 17.035 1.00 44.41 ? 192 VAL A O 1 ATOM 1509 C CB . VAL A 1 192 ? -3.983 1.073 14.745 1.00 43.79 ? 192 VAL A CB 1 ATOM 1510 C CG1 . VAL A 1 192 ? -5.228 1.723 14.177 1.00 42.83 ? 192 VAL A CG1 1 ATOM 1511 C CG2 . VAL A 1 192 ? -2.745 1.788 14.242 1.00 43.32 ? 192 VAL A CG2 1 ATOM 1512 N N . TYR A 1 193 ? -5.784 -0.533 16.409 1.00 43.50 ? 193 TYR A N 1 ATOM 1513 C CA . TYR A 1 193 ? -7.119 -1.101 16.572 1.00 44.02 ? 193 TYR A CA 1 ATOM 1514 C C . TYR A 1 193 ? -7.591 -1.645 17.910 1.00 43.87 ? 193 TYR A C 1 ATOM 1515 O O . TYR A 1 193 ? -8.784 -1.645 18.177 1.00 41.78 ? 193 TYR A O 1 ATOM 1516 C CB . TYR A 1 193 ? -7.301 -2.207 15.544 1.00 43.64 ? 193 TYR A CB 1 ATOM 1517 C CG . TYR A 1 193 ? -7.032 -1.735 14.161 1.00 42.87 ? 193 TYR A CG 1 ATOM 1518 C CD1 . TYR A 1 193 ? -6.001 -2.276 13.400 1.00 44.39 ? 193 TYR A CD1 1 ATOM 1519 C CD2 . TYR A 1 193 ? -7.810 -0.742 13.601 1.00 43.91 ? 193 TYR A CD2 1 ATOM 1520 C CE1 . TYR A 1 193 ? -5.756 -1.826 12.089 1.00 43.68 ? 193 TYR A CE1 1 ATOM 1521 C CE2 . TYR A 1 193 ? -7.575 -0.292 12.301 1.00 44.90 ? 193 TYR A CE2 1 ATOM 1522 C CZ . TYR A 1 193 ? -6.550 -0.835 11.556 1.00 43.36 ? 193 TYR A CZ 1 ATOM 1523 O OH . TYR A 1 193 ? -6.323 -0.360 10.291 1.00 43.95 ? 193 TYR A OH 1 ATOM 1524 N N . GLY A 1 194 ? -6.673 -2.151 18.729 1.00 45.58 ? 194 GLY A N 1 ATOM 1525 C CA . GLY A 1 194 ? -7.067 -2.719 20.011 1.00 46.22 ? 194 GLY A CA 1 ATOM 1526 C C . GLY A 1 194 ? -6.588 -4.149 20.176 1.00 45.70 ? 194 GLY A C 1 ATOM 1527 O O . GLY A 1 194 ? -6.057 -4.742 19.236 1.00 44.88 ? 194 GLY A O 1 ATOM 1528 N N . SER A 1 195 ? -6.694 -4.692 21.381 1.00 45.82 ? 195 SER A N 1 ATOM 1529 C CA . SER A 1 195 ? -6.201 -6.052 21.680 1.00 44.37 ? 195 SER A CA 1 ATOM 1530 C C . SER A 1 195 ? -7.184 -6.732 22.580 1.00 44.92 ? 195 SER A C 1 ATOM 1531 O O . SER A 1 195 ? -7.025 -7.861 23.035 1.00 44.26 ? 195 SER A O 1 ATOM 1532 C CB . SER A 1 195 ? -4.860 -6.049 22.434 1.00 44.26 ? 195 SER A CB 1 ATOM 1533 O OG . SER A 1 195 ? -3.796 -5.700 21.572 1.00 45.68 ? 195 SER A OG 1 ATOM 1534 N N . GLU A 1 196 ? -8.247 -5.969 22.810 1.00 46.25 ? 196 GLU A N 1 ATOM 1535 C CA . GLU A 1 196 ? -9.424 -6.319 23.592 1.00 47.87 ? 196 GLU A CA 1 ATOM 1536 C C . GLU A 1 196 ? -10.624 -5.842 22.694 1.00 47.54 ? 196 GLU A C 1 ATOM 1537 O O . GLU A 1 196 ? -10.534 -4.846 21.971 1.00 47.15 ? 196 GLU A O 1 ATOM 1538 C CB . GLU A 1 196 ? -9.369 -5.680 25.045 1.00 49.75 ? 196 GLU A CB 1 ATOM 1539 C CG . GLU A 1 196 ? -8.087 -5.941 25.901 1.00 53.31 ? 196 GLU A CG 1 ATOM 1540 C CD . GLU A 1 196 ? -8.048 -5.399 27.347 1.00 57.10 ? 196 GLU A CD 1 ATOM 1541 O OE1 . GLU A 1 196 ? -6.999 -4.820 27.726 1.00 58.17 ? 196 GLU A OE1 1 ATOM 1542 O OE2 . GLU A 1 196 ? -9.044 -5.551 28.086 1.00 57.25 ? 196 GLU A OE2 1 ATOM 1543 N N . PRO A 1 197 ? -11.769 -6.630 22.813 1.00 48.73 ? 197 PRO A N 1 ATOM 1544 C CA . PRO A 1 197 ? -12.998 -6.338 21.972 1.00 48.38 ? 197 PRO A CA 1 ATOM 1545 C C . PRO A 1 197 ? -13.536 -4.971 22.181 1.00 48.66 ? 197 PRO A C 1 ATOM 1546 O O . PRO A 1 197 ? -13.795 -4.102 21.330 1.00 47.70 ? 197 PRO A O 1 ATOM 1547 C CB . PRO A 1 197 ? -13.967 -7.416 22.365 1.00 48.86 ? 197 PRO A CB 1 ATOM 1548 C CG . PRO A 1 197 ? -13.056 -8.592 22.483 1.00 50.06 ? 197 PRO A CG 1 ATOM 1549 C CD . PRO A 1 197 ? -11.663 -8.099 22.740 1.00 48.94 ? 197 PRO A CD 1 HETATM 1550 N N . SEP A 1 198 ? -13.652 -4.947 23.519 1.00 49.01 ? 198 SEP A N 1 HETATM 1551 C CA . SEP A 1 198 ? -14.089 -3.800 24.233 1.00 48.65 ? 198 SEP A CA 1 HETATM 1552 C CB . SEP A 1 198 ? -13.762 -4.157 25.681 1.00 48.11 ? 198 SEP A CB 1 HETATM 1553 O OG . SEP A 1 198 ? -14.153 -5.588 25.914 1.00 46.32 ? 198 SEP A OG 1 HETATM 1554 C C . SEP A 1 198 ? -13.396 -2.504 23.625 1.00 50.33 ? 198 SEP A C 1 HETATM 1555 O O . SEP A 1 198 ? -14.058 -1.565 23.069 1.00 50.37 ? 198 SEP A O 1 HETATM 1556 P P . SEP A 1 198 ? -13.083 -6.548 26.603 1.00 31.58 ? 198 SEP A P 1 HETATM 1557 O O1P . SEP A 1 198 ? -12.947 -6.239 28.154 1.00 38.53 ? 198 SEP A O1P 1 HETATM 1558 O O2P . SEP A 1 198 ? -11.878 -6.000 25.724 1.00 48.38 ? 198 SEP A O2P 1 HETATM 1559 O O3P . SEP A 1 198 ? -13.165 -8.039 26.653 1.00 36.63 ? 198 SEP A O3P 1 ATOM 1560 N N . LEU A 1 199 ? -12.130 -2.361 23.765 1.00 50.24 ? 199 LEU A N 1 ATOM 1561 C CA . LEU A 1 199 ? -11.506 -1.248 23.162 1.00 49.76 ? 199 LEU A CA 1 ATOM 1562 C C . LEU A 1 199 ? -11.530 -1.296 21.597 1.00 51.22 ? 199 LEU A C 1 ATOM 1563 O O . LEU A 1 199 ? -11.476 -0.213 21.005 1.00 51.69 ? 199 LEU A O 1 ATOM 1564 C CB . LEU A 1 199 ? -10.038 -1.148 23.660 1.00 50.57 ? 199 LEU A CB 1 ATOM 1565 C CG . LEU A 1 199 ? -9.021 -0.392 22.820 1.00 47.97 ? 199 LEU A CG 1 ATOM 1566 C CD1 . LEU A 1 199 ? -9.552 0.985 22.465 1.00 48.80 ? 199 LEU A CD1 1 ATOM 1567 C CD2 . LEU A 1 199 ? -7.693 -0.280 23.550 1.00 42.37 ? 199 LEU A CD2 1 ATOM 1568 N N . ALA A 1 200 ? -11.592 -2.394 20.823 1.00 47.01 ? 200 ALA A N 1 ATOM 1569 C CA . ALA A 1 200 ? -11.545 -2.275 19.327 1.00 46.49 ? 200 ALA A CA 1 ATOM 1570 C C . ALA A 1 200 ? -12.488 -1.141 18.811 1.00 46.76 ? 200 ALA A C 1 ATOM 1571 O O . ALA A 1 200 ? -12.069 -0.141 18.217 1.00 49.08 ? 200 ALA A O 1 ATOM 1572 C CB . ALA A 1 200 ? -11.901 -3.601 18.666 1.00 46.00 ? 200 ALA A CB 1 ATOM 1573 N N . SER A 1 201 ? -13.768 -1.418 19.114 1.00 46.41 ? 201 SER A N 1 ATOM 1574 C CA . SER A 1 201 ? -14.989 -0.665 18.740 1.00 47.06 ? 201 SER A CA 1 ATOM 1575 C C . SER A 1 201 ? -15.304 0.653 19.496 1.00 47.91 ? 201 SER A C 1 ATOM 1576 O O . SER A 1 201 ? -16.263 1.336 19.143 1.00 46.97 ? 201 SER A O 1 ATOM 1577 C CB . SER A 1 201 ? -16.179 -1.633 18.768 1.00 47.57 ? 201 SER A CB 1 ATOM 1578 O OG . SER A 1 201 ? -16.937 -1.467 19.952 1.00 47.67 ? 201 SER A OG 1 ATOM 1579 N N . ARG A 1 202 ? -14.521 1.044 20.526 1.00 48.81 ? 202 ARG A N 1 ATOM 1580 C CA . ARG A 1 202 ? -14.757 2.331 21.117 1.00 49.93 ? 202 ARG A CA 1 ATOM 1581 C C . ARG A 1 202 ? -13.969 3.244 20.216 1.00 50.45 ? 202 ARG A C 1 ATOM 1582 O O . ARG A 1 202 ? -14.238 4.439 20.056 1.00 51.19 ? 202 ARG A O 1 ATOM 1583 C CB . ARG A 1 202 ? -14.243 2.337 22.563 1.00 51.53 ? 202 ARG A CB 1 ATOM 1584 C CG . ARG A 1 202 ? -14.112 3.620 23.361 1.00 53.38 ? 202 ARG A CG 1 ATOM 1585 C CD . ARG A 1 202 ? -13.681 3.296 24.782 1.00 54.72 ? 202 ARG A CD 1 ATOM 1586 N NE . ARG A 1 202 ? -13.886 4.472 25.634 1.00 56.88 ? 202 ARG A NE 1 ATOM 1587 C CZ . ARG A 1 202 ? -12.922 5.274 26.069 1.00 58.32 ? 202 ARG A CZ 1 ATOM 1588 N NH1 . ARG A 1 202 ? -11.663 5.051 25.717 1.00 59.42 ? 202 ARG A NH1 1 ATOM 1589 N NH2 . ARG A 1 202 ? -13.215 6.302 26.857 1.00 58.36 ? 202 ARG A NH2 1 ATOM 1590 N N . LEU A 1 203 ? -12.950 2.617 19.630 1.00 49.78 ? 203 LEU A N 1 ATOM 1591 C CA . LEU A 1 203 ? -12.064 3.226 18.658 1.00 49.74 ? 203 LEU A CA 1 ATOM 1592 C C . LEU A 1 203 ? -12.790 3.349 17.332 1.00 51.57 ? 203 LEU A C 1 ATOM 1593 O O . LEU A 1 203 ? -12.383 4.101 16.439 1.00 49.95 ? 203 LEU A O 1 ATOM 1594 C CB . LEU A 1 203 ? -10.839 2.340 18.404 1.00 47.84 ? 203 LEU A CB 1 ATOM 1595 C CG . LEU A 1 203 ? -9.518 2.657 19.121 1.00 44.94 ? 203 LEU A CG 1 ATOM 1596 C CD1 . LEU A 1 203 ? -9.745 3.685 20.217 1.00 44.15 ? 203 LEU A CD1 1 ATOM 1597 C CD2 . LEU A 1 203 ? -8.882 1.388 19.674 1.00 44.57 ? 203 LEU A CD2 1 ATOM 1598 N N . ARG A 1 204 ? -13.882 2.610 17.180 1.00 55.77 ? 204 ARG A N 1 ATOM 1599 C CA . ARG A 1 204 ? -14.624 2.630 15.920 1.00 59.53 ? 204 ARG A CA 1 ATOM 1600 C C . ARG A 1 204 ? -15.735 3.665 15.743 1.00 61.10 ? 204 ARG A C 1 ATOM 1601 O O . ARG A 1 204 ? -16.292 4.187 16.714 1.00 60.60 ? 204 ARG A O 1 ATOM 1602 C CB . ARG A 1 204 ? -15.161 1.226 15.620 1.00 59.73 ? 204 ARG A CB 1 ATOM 1603 C CG . ARG A 1 204 ? -14.052 0.255 15.292 1.00 59.39 ? 204 ARG A CG 1 ATOM 1604 C CD . ARG A 1 204 ? -14.586 -1.017 14.661 1.00 60.22 ? 204 ARG A CD 1 ATOM 1605 N NE . ARG A 1 204 ? -15.303 -0.764 13.414 1.00 59.63 ? 204 ARG A NE 1 ATOM 1606 C CZ . ARG A 1 204 ? -15.954 -1.696 12.726 1.00 58.93 ? 204 ARG A CZ 1 ATOM 1607 N NH1 . ARG A 1 204 ? -15.981 -2.945 13.160 1.00 60.58 ? 204 ARG A NH1 1 ATOM 1608 N NH2 . ARG A 1 204 ? -16.591 -1.388 11.605 1.00 59.75 ? 204 ARG A NH2 1 ATOM 1609 N N . ASN A 1 205 ? -16.011 3.963 14.473 1.00 64.27 ? 205 ASN A N 1 ATOM 1610 C CA . ASN A 1 205 ? -17.038 4.904 14.072 1.00 67.54 ? 205 ASN A CA 1 ATOM 1611 C C . ASN A 1 205 ? -18.188 4.024 13.579 1.00 68.76 ? 205 ASN A C 1 ATOM 1612 O O . ASN A 1 205 ? -18.327 3.764 12.378 1.00 69.35 ? 205 ASN A O 1 ATOM 1613 C CB . ASN A 1 205 ? -16.540 5.816 12.947 1.00 68.71 ? 205 ASN A CB 1 ATOM 1614 C CG . ASN A 1 205 ? -17.540 6.958 12.645 1.00 70.52 ? 205 ASN A CG 1 ATOM 1615 O OD1 . ASN A 1 205 ? -18.552 7.040 13.298 1.00 70.44 ? 205 ASN A OD1 1 ATOM 1616 N ND2 . ASN A 1 205 ? -17.224 7.841 11.711 1.00 71.65 ? 205 ASN A ND2 1 ATOM 1617 N N . LEU A 1 206 ? -18.957 3.538 14.544 1.00 70.14 ? 206 LEU A N 1 ATOM 1618 C CA . LEU A 1 206 ? -20.120 2.690 14.286 1.00 71.67 ? 206 LEU A CA 1 ATOM 1619 C C . LEU A 1 206 ? -21.278 3.562 13.949 1.00 72.37 ? 206 LEU A C 1 ATOM 1620 O O . LEU A 1 206 ? -22.209 3.168 13.241 1.00 73.18 ? 206 LEU A O 1 ATOM 1621 C CB . LEU A 1 206 ? -20.383 1.819 15.514 1.00 71.68 ? 206 LEU A CB 1 ATOM 1622 C CG . LEU A 1 206 ? -19.123 1.525 16.341 1.00 72.20 ? 206 LEU A CG 1 ATOM 1623 C CD1 . LEU A 1 206 ? -19.445 1.441 17.818 1.00 72.52 ? 206 LEU A CD1 1 ATOM 1624 C CD2 . LEU A 1 206 ? -18.478 0.235 15.876 1.00 71.73 ? 206 LEU A CD2 1 ATOM 1625 N N . SER A 1 207 ? -21.221 4.747 14.448 1.00 72.80 ? 207 SER A N 1 ATOM 1626 C CA . SER A 1 207 ? -22.291 5.672 14.131 1.00 72.90 ? 207 SER A CA 1 ATOM 1627 C C . SER A 1 207 ? -22.617 5.726 12.608 1.00 73.42 ? 207 SER A C 1 ATOM 1628 O O . SER A 1 207 ? -23.782 5.671 12.227 1.00 74.23 ? 207 SER A O 1 ATOM 1629 C CB . SER A 1 207 ? -21.923 7.090 14.593 1.00 72.42 ? 207 SER A CB 1 ATOM 1630 O OG . SER A 1 207 ? -22.210 7.271 15.971 1.00 71.42 ? 207 SER A OG 1 ATOM 1631 N N . SER A 1 208 ? -21.605 5.797 11.728 1.00 73.47 ? 208 SER A N 1 ATOM 1632 C CA . SER A 1 208 ? -21.824 5.878 10.265 1.00 73.95 ? 208 SER A CA 1 ATOM 1633 C C . SER A 1 208 ? -21.533 4.512 9.514 1.00 74.53 ? 208 SER A C 1 ATOM 1634 O O . SER A 1 208 ? -21.046 3.596 10.188 1.00 75.08 ? 208 SER A O 1 ATOM 1635 C CB . SER A 1 208 ? -20.960 6.989 9.689 1.00 73.75 ? 208 SER A CB 1 ATOM 1636 O OG . SER A 1 208 ? -20.143 6.501 8.644 1.00 74.43 ? 208 SER A OG 1 ATOM 1637 N N . PRO A 1 209 ? -21.808 4.259 8.129 1.00 74.55 ? 209 PRO A N 1 ATOM 1638 C CA . PRO A 1 209 ? -21.489 2.967 7.521 1.00 73.90 ? 209 PRO A CA 1 ATOM 1639 C C . PRO A 1 209 ? -20.255 2.912 6.617 1.00 73.42 ? 209 PRO A C 1 ATOM 1640 O O . PRO A 1 209 ? -20.160 2.039 5.748 1.00 73.00 ? 209 PRO A O 1 ATOM 1641 C CB . PRO A 1 209 ? -22.739 2.717 6.712 1.00 74.46 ? 209 PRO A CB 1 ATOM 1642 C CG . PRO A 1 209 ? -22.828 4.076 6.009 1.00 74.51 ? 209 PRO A CG 1 ATOM 1643 C CD . PRO A 1 209 ? -22.556 5.078 7.158 1.00 74.45 ? 209 PRO A CD 1 ATOM 1644 N N . LEU A 1 210 ? -19.314 3.827 6.782 1.00 72.60 ? 210 LEU A N 1 ATOM 1645 C CA . LEU A 1 210 ? -18.173 3.799 5.866 1.00 71.46 ? 210 LEU A CA 1 ATOM 1646 C C . LEU A 1 210 ? -16.949 2.933 6.247 1.00 69.92 ? 210 LEU A C 1 ATOM 1647 O O . LEU A 1 210 ? -16.214 2.495 5.368 1.00 71.13 ? 210 LEU A O 1 ATOM 1648 C CB . LEU A 1 210 ? -17.753 5.241 5.537 1.00 72.60 ? 210 LEU A CB 1 ATOM 1649 C CG . LEU A 1 210 ? -18.845 6.202 5.011 1.00 73.27 ? 210 LEU A CG 1 ATOM 1650 C CD1 . LEU A 1 210 ? -18.439 7.596 5.427 1.00 72.72 ? 210 LEU A CD1 1 ATOM 1651 C CD2 . LEU A 1 210 ? -19.030 6.129 3.490 1.00 73.40 ? 210 LEU A CD2 1 ATOM 1652 N N . GLY A 1 211 ? -16.703 2.687 7.531 1.00 67.35 ? 211 GLY A N 1 ATOM 1653 C CA . GLY A 1 211 ? -15.571 1.835 7.889 1.00 64.73 ? 211 GLY A CA 1 ATOM 1654 C C . GLY A 1 211 ? -14.317 2.445 8.502 1.00 63.67 ? 211 GLY A C 1 ATOM 1655 O O . GLY A 1 211 ? -13.269 1.805 8.562 1.00 61.71 ? 211 GLY A O 1 ATOM 1656 N N . LEU A 1 212 ? -14.419 3.681 8.969 1.00 63.13 ? 212 LEU A N 1 ATOM 1657 C CA . LEU A 1 212 ? -13.287 4.365 9.580 1.00 62.13 ? 212 LEU A CA 1 ATOM 1658 C C . LEU A 1 212 ? -13.307 4.269 11.097 1.00 61.67 ? 212 LEU A C 1 ATOM 1659 O O . LEU A 1 212 ? -14.273 3.775 11.701 1.00 61.16 ? 212 LEU A O 1 ATOM 1660 C CB . LEU A 1 212 ? -13.306 5.836 9.179 1.00 62.90 ? 212 LEU A CB 1 ATOM 1661 C CG . LEU A 1 212 ? -14.641 6.261 8.557 1.00 63.47 ? 212 LEU A CG 1 ATOM 1662 C CD1 . LEU A 1 212 ? -15.177 7.478 9.285 1.00 63.44 ? 212 LEU A CD1 1 ATOM 1663 C CD2 . LEU A 1 212 ? -14.443 6.540 7.080 1.00 63.36 ? 212 LEU A CD2 1 ATOM 1664 N N . MET A 1 213 ? -12.215 4.718 11.691 1.00 60.31 ? 213 MET A N 1 ATOM 1665 C CA . MET A 1 213 ? -12.042 4.784 13.137 1.00 59.14 ? 213 MET A CA 1 ATOM 1666 C C . MET A 1 213 ? -12.600 6.135 13.606 1.00 58.87 ? 213 MET A C 1 ATOM 1667 O O . MET A 1 213 ? -12.616 7.090 12.842 1.00 59.40 ? 213 MET A O 1 ATOM 1668 C CB . MET A 1 213 ? -10.560 4.629 13.516 1.00 58.23 ? 213 MET A CB 1 ATOM 1669 C CG . MET A 1 213 ? -9.896 3.409 12.936 1.00 57.59 ? 213 MET A CG 1 ATOM 1670 S SD . MET A 1 213 ? -10.366 1.914 13.835 1.00 54.59 ? 213 MET A SD 1 ATOM 1671 C CE . MET A 1 213 ? -9.556 2.203 15.410 1.00 57.30 ? 213 MET A CE 1 ATOM 1672 N N . ALA A 1 214 ? -13.092 6.248 14.871 1.00 58.73 ? 214 ALA A N 1 ATOM 1673 C CA . ALA A 1 214 ? -13.567 7.534 15.365 1.00 58.09 ? 214 ALA A CA 1 ATOM 1674 C C . ALA A 1 214 ? -12.418 8.573 15.193 1.00 57.93 ? 214 ALA A C 1 ATOM 1675 O O . ALA A 1 214 ? -11.298 8.311 15.642 1.00 57.78 ? 214 ALA A O 1 ATOM 1676 C CB . ALA A 1 214 ? -13.986 7.440 16.836 1.00 58.37 ? 214 ALA A CB 1 ATOM 1677 N N . VAL A 1 215 ? -12.638 9.749 14.585 1.00 57.52 ? 215 VAL A N 1 ATOM 1678 C CA . VAL A 1 215 ? -11.529 10.757 14.536 1.00 57.84 ? 215 VAL A CA 1 ATOM 1679 C C . VAL A 1 215 ? -11.905 11.877 15.513 1.00 58.14 ? 215 VAL A C 1 ATOM 1680 O O . VAL A 1 215 ? -13.076 11.966 15.901 1.00 57.73 ? 215 VAL A O 1 ATOM 1681 C CB . VAL A 1 215 ? -11.283 11.444 13.159 1.00 57.99 ? 215 VAL A CB 1 ATOM 1682 C CG1 . VAL A 1 215 ? -11.170 10.405 12.045 1.00 56.96 ? 215 VAL A CG1 1 ATOM 1683 C CG2 . VAL A 1 215 ? -12.403 12.428 12.859 1.00 58.08 ? 215 VAL A CG2 1 ATOM 1684 N N . ASN A 1 216 ? -10.991 12.739 15.927 1.00 58.90 ? 216 ASN A N 1 ATOM 1685 C CA . ASN A 1 216 ? -11.301 13.788 16.888 1.00 59.71 ? 216 ASN A CA 1 ATOM 1686 C C . ASN A 1 216 ? -12.375 14.760 16.401 1.00 59.61 ? 216 ASN A C 1 ATOM 1687 O O . ASN A 1 216 ? -12.447 15.048 15.218 1.00 60.90 ? 216 ASN A O 1 ATOM 1688 C CB . ASN A 1 216 ? -10.019 14.545 17.220 1.00 59.05 ? 216 ASN A CB 1 ATOM 1689 C CG . ASN A 1 216 ? -9.985 15.019 18.637 1.00 59.30 ? 216 ASN A CG 1 ATOM 1690 O OD1 . ASN A 1 216 ? -10.628 16.016 18.992 1.00 60.47 ? 216 ASN A OD1 1 ATOM 1691 N ND2 . ASN A 1 216 ? -9.237 14.312 19.466 1.00 59.09 ? 216 ASN A ND2 1 ATOM 1692 N N . GLN A 1 217 ? -13.196 15.258 17.312 1.00 58.95 ? 217 GLN A N 1 ATOM 1693 C CA . GLN A 1 217 ? -14.220 16.212 16.916 1.00 59.54 ? 217 GLN A CA 1 ATOM 1694 C C . GLN A 1 217 ? -13.983 17.582 17.548 1.00 60.10 ? 217 GLN A C 1 ATOM 1695 O O . GLN A 1 217 ? -14.511 18.595 17.083 1.00 60.18 ? 217 GLN A O 1 ATOM 1696 C CB . GLN A 1 217 ? -15.605 15.651 17.278 1.00 59.10 ? 217 GLN A CB 1 ATOM 1697 C CG . GLN A 1 217 ? -15.911 14.264 16.662 1.00 58.10 ? 217 GLN A CG 1 ATOM 1698 C CD . GLN A 1 217 ? -16.191 14.283 15.164 1.00 57.15 ? 217 GLN A CD 1 ATOM 1699 O OE1 . GLN A 1 217 ? -17.084 14.980 14.702 1.00 58.44 ? 217 GLN A OE1 1 ATOM 1700 N NE2 . GLN A 1 217 ? -15.434 13.502 14.405 1.00 57.81 ? 217 GLN A NE2 1 ATOM 1701 N N . GLU A 1 218 ? -13.160 17.612 18.590 1.00 60.45 ? 218 GLU A N 1 ATOM 1702 C CA . GLU A 1 218 ? -12.844 18.856 19.283 1.00 60.85 ? 218 GLU A CA 1 ATOM 1703 C C . GLU A 1 218 ? -11.796 19.603 18.491 1.00 60.61 ? 218 GLU A C 1 ATOM 1704 O O . GLU A 1 218 ? -11.697 20.830 18.569 1.00 59.83 ? 218 GLU A O 1 ATOM 1705 C CB . GLU A 1 218 ? -12.236 18.570 20.648 1.00 61.63 ? 218 GLU A CB 1 ATOM 1706 C CG . GLU A 1 218 ? -13.111 18.908 21.812 1.00 63.39 ? 218 GLU A CG 1 ATOM 1707 C CD . GLU A 1 218 ? -14.478 18.331 21.655 1.00 64.29 ? 218 GLU A CD 1 ATOM 1708 O OE1 . GLU A 1 218 ? -15.262 18.907 20.872 1.00 63.85 ? 218 GLU A OE1 1 ATOM 1709 O OE2 . GLU A 1 218 ? -14.763 17.303 22.307 1.00 63.54 ? 218 GLU A OE2 1 ATOM 1710 N N . ALA A 1 219 ? -10.989 18.863 17.737 1.00 60.61 ? 219 ALA A N 1 ATOM 1711 C CA . ALA A 1 219 ? -9.909 19.519 17.021 1.00 60.08 ? 219 ALA A CA 1 ATOM 1712 C C . ALA A 1 219 ? -9.413 18.981 15.701 1.00 60.10 ? 219 ALA A C 1 ATOM 1713 O O . ALA A 1 219 ? -9.451 17.777 15.433 1.00 58.86 ? 219 ALA A O 1 ATOM 1714 C CB . ALA A 1 219 ? -8.736 19.654 17.947 1.00 59.68 ? 219 ALA A CB 1 ATOM 1715 N N . TRP A 1 220 ? -8.906 19.897 14.880 1.00 60.76 ? 220 TRP A N 1 ATOM 1716 C CA . TRP A 1 220 ? -8.378 19.514 13.577 1.00 61.52 ? 220 TRP A CA 1 ATOM 1717 C C . TRP A 1 220 ? -6.927 19.925 13.286 1.00 61.28 ? 220 TRP A C 1 ATOM 1718 O O . TRP A 1 220 ? -6.369 20.807 13.945 1.00 61.08 ? 220 TRP A O 1 ATOM 1719 C CB . TRP A 1 220 ? -9.320 20.008 12.461 1.00 62.94 ? 220 TRP A CB 1 ATOM 1720 C CG . TRP A 1 220 ? -10.453 19.066 12.297 1.00 65.06 ? 220 TRP A CG 1 ATOM 1721 C CD1 . TRP A 1 220 ? -11.516 18.891 13.150 1.00 65.53 ? 220 TRP A CD1 1 ATOM 1722 C CD2 . TRP A 1 220 ? -10.531 18.009 11.340 1.00 65.92 ? 220 TRP A CD2 1 ATOM 1723 N NE1 . TRP A 1 220 ? -12.235 17.776 12.785 1.00 66.30 ? 220 TRP A NE1 1 ATOM 1724 C CE2 . TRP A 1 220 ? -11.649 17.218 11.676 1.00 65.79 ? 220 TRP A CE2 1 ATOM 1725 C CE3 . TRP A 1 220 ? -9.754 17.647 10.229 1.00 66.01 ? 220 TRP A CE3 1 ATOM 1726 C CZ2 . TRP A 1 220 ? -12.002 16.085 10.939 1.00 66.27 ? 220 TRP A CZ2 1 ATOM 1727 C CZ3 . TRP A 1 220 ? -10.109 16.526 9.505 1.00 65.41 ? 220 TRP A CZ3 1 ATOM 1728 C CH2 . TRP A 1 220 ? -11.218 15.760 9.859 1.00 65.54 ? 220 TRP A CH2 1 ATOM 1729 N N . ASP A 1 221 ? -6.361 19.219 12.303 1.00 60.39 ? 221 ASP A N 1 ATOM 1730 C CA . ASP A 1 221 ? -5.019 19.424 11.825 1.00 59.98 ? 221 ASP A CA 1 ATOM 1731 C C . ASP A 1 221 ? -5.063 19.604 10.337 1.00 60.57 ? 221 ASP A C 1 ATOM 1732 O O . ASP A 1 221 ? -5.000 18.652 9.567 1.00 59.61 ? 221 ASP A O 1 ATOM 1733 C CB . ASP A 1 221 ? -4.134 18.240 12.210 1.00 59.44 ? 221 ASP A CB 1 ATOM 1734 C CG . ASP A 1 221 ? -2.696 18.376 11.729 1.00 58.05 ? 221 ASP A CG 1 ATOM 1735 O OD1 . ASP A 1 221 ? -2.352 19.431 11.146 1.00 58.33 ? 221 ASP A OD1 1 ATOM 1736 O OD2 . ASP A 1 221 ? -1.918 17.425 11.943 1.00 56.36 ? 221 ASP A OD2 1 ATOM 1737 N N . HIS A 1 222 ? -5.168 20.865 10.018 1.00 60.76 ? 222 HIS A N 1 ATOM 1738 C CA . HIS A 1 222 ? -5.296 21.176 8.648 1.00 61.53 ? 222 HIS A CA 1 ATOM 1739 C C . HIS A 1 222 ? -6.564 20.503 8.182 1.00 61.40 ? 222 HIS A C 1 ATOM 1740 O O . HIS A 1 222 ? -7.598 20.703 8.813 1.00 60.60 ? 222 HIS A O 1 ATOM 1741 C CB . HIS A 1 222 ? -3.931 20.897 7.964 1.00 61.61 ? 222 HIS A CB 1 ATOM 1742 C CG . HIS A 1 222 ? -2.978 21.932 8.605 1.00 63.03 ? 222 HIS A CG 1 ATOM 1743 N ND1 . HIS A 1 222 ? -1.741 21.703 9.168 1.00 63.96 ? 222 HIS A ND1 1 ATOM 1744 C CD2 . HIS A 1 222 ? -3.230 23.249 8.776 1.00 63.18 ? 222 HIS A CD2 1 ATOM 1745 C CE1 . HIS A 1 222 ? -1.297 22.837 9.680 1.00 64.11 ? 222 HIS A CE1 1 ATOM 1746 N NE2 . HIS A 1 222 ? -2.189 23.796 9.451 1.00 63.58 ? 222 HIS A NE2 1 ATOM 1747 N N . GLY A 1 223 ? -6.519 19.736 7.137 1.00 61.75 ? 223 GLY A N 1 ATOM 1748 C CA . GLY A 1 223 ? -7.734 19.021 6.749 1.00 61.72 ? 223 GLY A CA 1 ATOM 1749 C C . GLY A 1 223 ? -7.603 17.620 7.307 1.00 60.52 ? 223 GLY A C 1 ATOM 1750 O O . GLY A 1 223 ? -8.460 16.763 7.140 1.00 60.70 ? 223 GLY A O 1 ATOM 1751 N N . LEU A 1 224 ? -6.503 17.414 7.971 1.00 59.28 ? 224 LEU A N 1 ATOM 1752 C CA . LEU A 1 224 ? -6.379 16.078 8.542 1.00 57.84 ? 224 LEU A CA 1 ATOM 1753 C C . LEU A 1 224 ? -6.848 15.756 9.971 1.00 56.14 ? 224 LEU A C 1 ATOM 1754 O O . LEU A 1 224 ? -6.983 16.637 10.830 1.00 55.52 ? 224 LEU A O 1 ATOM 1755 C CB . LEU A 1 224 ? -4.939 15.627 8.296 1.00 57.38 ? 224 LEU A CB 1 ATOM 1756 C CG . LEU A 1 224 ? -4.615 16.292 6.946 1.00 56.54 ? 224 LEU A CG 1 ATOM 1757 C CD1 . LEU A 1 224 ? -3.495 17.251 7.161 1.00 56.49 ? 224 LEU A CD1 1 ATOM 1758 C CD2 . LEU A 1 224 ? -4.313 15.275 5.865 1.00 56.92 ? 224 LEU A CD2 1 ATOM 1759 N N . ALA A 1 225 ? -7.074 14.458 10.191 1.00 55.00 ? 225 ALA A N 1 ATOM 1760 C CA . ALA A 1 225 ? -7.574 13.902 11.448 1.00 54.27 ? 225 ALA A CA 1 ATOM 1761 C C . ALA A 1 225 ? -6.617 13.791 12.640 1.00 54.21 ? 225 ALA A C 1 ATOM 1762 O O . ALA A 1 225 ? -5.385 13.747 12.498 1.00 53.73 ? 225 ALA A O 1 ATOM 1763 C CB . ALA A 1 225 ? -8.185 12.532 11.166 1.00 54.01 ? 225 ALA A CB 1 ATOM 1764 N N . TYR A 1 226 ? -7.226 13.721 13.818 1.00 52.17 ? 226 TYR A N 1 ATOM 1765 C CA . TYR A 1 226 ? -6.519 13.609 15.077 1.00 51.71 ? 226 TYR A CA 1 ATOM 1766 C C . TYR A 1 226 ? -7.081 12.444 15.842 1.00 51.49 ? 226 TYR A C 1 ATOM 1767 O O . TYR A 1 226 ? -8.287 12.253 15.880 1.00 52.68 ? 226 TYR A O 1 ATOM 1768 C CB . TYR A 1 226 ? -6.750 14.855 15.907 1.00 51.05 ? 226 TYR A CB 1 ATOM 1769 C CG . TYR A 1 226 ? -5.805 15.958 15.582 1.00 50.78 ? 226 TYR A CG 1 ATOM 1770 C CD1 . TYR A 1 226 ? -6.226 17.278 15.603 1.00 49.50 ? 226 TYR A CD1 1 ATOM 1771 C CD2 . TYR A 1 226 ? -4.485 15.687 15.257 1.00 49.34 ? 226 TYR A CD2 1 ATOM 1772 C CE1 . TYR A 1 226 ? -5.356 18.303 15.304 1.00 49.89 ? 226 TYR A CE1 1 ATOM 1773 C CE2 . TYR A 1 226 ? -3.609 16.701 14.953 1.00 49.63 ? 226 TYR A CE2 1 ATOM 1774 C CZ . TYR A 1 226 ? -4.050 18.008 14.975 1.00 48.77 ? 226 TYR A CZ 1 ATOM 1775 O OH . TYR A 1 226 ? -3.185 19.013 14.621 1.00 50.15 ? 226 TYR A OH 1 ATOM 1776 N N . LEU A 1 227 ? -6.213 11.661 16.476 1.00 51.03 ? 227 LEU A N 1 ATOM 1777 C CA . LEU A 1 227 ? -6.730 10.541 17.247 1.00 52.25 ? 227 LEU A CA 1 ATOM 1778 C C . LEU A 1 227 ? -7.778 11.137 18.177 1.00 51.66 ? 227 LEU A C 1 ATOM 1779 O O . LEU A 1 227 ? -7.676 12.302 18.567 1.00 50.23 ? 227 LEU A O 1 ATOM 1780 C CB . LEU A 1 227 ? -5.667 9.854 18.099 1.00 52.95 ? 227 LEU A CB 1 ATOM 1781 C CG . LEU A 1 227 ? -4.379 9.221 17.576 1.00 52.33 ? 227 LEU A CG 1 ATOM 1782 C CD1 . LEU A 1 227 ? -4.315 7.769 18.032 1.00 53.21 ? 227 LEU A CD1 1 ATOM 1783 C CD2 . LEU A 1 227 ? -4.317 9.339 16.070 1.00 53.27 ? 227 LEU A CD2 1 ATOM 1784 N N . PRO A 1 228 ? -8.809 10.351 18.514 1.00 51.95 ? 228 PRO A N 1 ATOM 1785 C CA . PRO A 1 228 ? -9.949 10.651 19.389 1.00 52.83 ? 228 PRO A CA 1 ATOM 1786 C C . PRO A 1 228 ? -9.373 10.882 20.785 1.00 54.12 ? 228 PRO A C 1 ATOM 1787 O O . PRO A 1 228 ? -8.370 10.275 21.166 1.00 54.45 ? 228 PRO A O 1 ATOM 1788 C CB . PRO A 1 228 ? -10.750 9.380 19.348 1.00 52.42 ? 228 PRO A CB 1 ATOM 1789 C CG . PRO A 1 228 ? -10.475 8.878 17.996 1.00 51.61 ? 228 PRO A CG 1 ATOM 1790 C CD . PRO A 1 228 ? -9.109 9.235 17.614 1.00 51.04 ? 228 PRO A CD 1 ATOM 1791 N N . PHE A 1 229 ? -9.989 11.756 21.559 1.00 55.90 ? 229 PHE A N 1 ATOM 1792 C CA . PHE A 1 229 ? -9.474 12.009 22.885 1.00 58.13 ? 229 PHE A CA 1 ATOM 1793 C C . PHE A 1 229 ? -9.711 10.853 23.826 1.00 58.69 ? 229 PHE A C 1 ATOM 1794 O O . PHE A 1 229 ? -10.539 9.982 23.575 1.00 59.41 ? 229 PHE A O 1 ATOM 1795 C CB . PHE A 1 229 ? -10.101 13.278 23.462 1.00 59.21 ? 229 PHE A CB 1 ATOM 1796 C CG . PHE A 1 229 ? -9.488 14.534 22.941 1.00 60.46 ? 229 PHE A CG 1 ATOM 1797 C CD1 . PHE A 1 229 ? -8.118 14.745 23.047 1.00 62.39 ? 229 PHE A CD1 1 ATOM 1798 C CD2 . PHE A 1 229 ? -10.269 15.501 22.327 1.00 61.45 ? 229 PHE A CD2 1 ATOM 1799 C CE1 . PHE A 1 229 ? -7.536 15.897 22.548 1.00 62.22 ? 229 PHE A CE1 1 ATOM 1800 C CE2 . PHE A 1 229 ? -9.695 16.665 21.822 1.00 60.81 ? 229 PHE A CE2 1 ATOM 1801 C CZ . PHE A 1 229 ? -8.321 16.862 21.934 1.00 62.43 ? 229 PHE A CZ 1 ATOM 1802 N N . ASN A 1 230 ? -8.955 10.843 24.913 1.00 59.62 ? 230 ASN A N 1 ATOM 1803 C CA . ASN A 1 230 ? -9.098 9.802 25.915 1.00 60.42 ? 230 ASN A CA 1 ATOM 1804 C C . ASN A 1 230 ? -10.032 10.257 27.024 1.00 60.85 ? 230 ASN A C 1 ATOM 1805 O O . ASN A 1 230 ? -10.012 11.410 27.451 1.00 59.90 ? 230 ASN A O 1 ATOM 1806 C CB . ASN A 1 230 ? -7.742 9.428 26.517 1.00 61.59 ? 230 ASN A CB 1 ATOM 1807 C CG . ASN A 1 230 ? -7.832 8.200 27.407 1.00 63.01 ? 230 ASN A CG 1 ATOM 1808 O OD1 . ASN A 1 230 ? -8.843 7.996 28.098 1.00 62.68 ? 230 ASN A OD1 1 ATOM 1809 N ND2 . ASN A 1 230 ? -6.787 7.374 27.399 1.00 63.85 ? 230 ASN A ND2 1 ATOM 1810 N N . ASN A 1 231 ? -10.842 9.316 27.486 1.00 63.21 ? 231 ASN A N 1 ATOM 1811 C CA . ASN A 1 231 ? -11.825 9.511 28.547 1.00 64.82 ? 231 ASN A CA 1 ATOM 1812 C C . ASN A 1 231 ? -11.411 9.734 30.007 1.00 64.79 ? 231 ASN A C 1 ATOM 1813 O O . ASN A 1 231 ? -11.825 10.699 30.633 1.00 63.96 ? 231 ASN A O 1 ATOM 1814 C CB . ASN A 1 231 ? -12.770 8.319 28.529 1.00 67.04 ? 231 ASN A CB 1 ATOM 1815 C CG . ASN A 1 231 ? -14.139 8.689 28.161 1.00 68.71 ? 231 ASN A CG 1 ATOM 1816 O OD1 . ASN A 1 231 ? -14.377 9.784 27.667 1.00 69.57 ? 231 ASN A OD1 1 ATOM 1817 N ND2 . ASN A 1 231 ? -15.078 7.771 28.393 1.00 68.96 ? 231 ASN A ND2 1 ATOM 1818 N N . LYS A 1 232 ? -10.601 8.836 30.554 1.00 65.21 ? 232 LYS A N 1 ATOM 1819 C CA . LYS A 1 232 ? -10.216 8.900 31.973 1.00 64.47 ? 232 LYS A CA 1 ATOM 1820 C C . LYS A 1 232 ? -9.383 10.017 32.622 1.00 63.33 ? 232 LYS A C 1 ATOM 1821 O O . LYS A 1 232 ? -8.307 10.410 32.149 1.00 63.12 ? 232 LYS A O 1 ATOM 1822 C CB . LYS A 1 232 ? -9.615 7.548 32.382 1.00 64.90 ? 232 LYS A CB 1 ATOM 1823 C CG . LYS A 1 232 ? -9.633 7.272 33.869 1.00 66.23 ? 232 LYS A CG 1 ATOM 1824 C CD . LYS A 1 232 ? -9.866 5.780 34.142 1.00 66.39 ? 232 LYS A CD 1 ATOM 1825 C CE . LYS A 1 232 ? -9.218 5.341 35.451 1.00 66.35 ? 232 LYS A CE 1 ATOM 1826 N NZ . LYS A 1 232 ? -7.745 5.615 35.434 1.00 66.93 ? 232 LYS A NZ 1 ATOM 1827 N N . LYS A 1 233 ? -9.941 10.508 33.725 1.00 62.26 ? 233 LYS A N 1 ATOM 1828 C CA . LYS A 1 233 ? -9.343 11.509 34.569 1.00 60.19 ? 233 LYS A CA 1 ATOM 1829 C C . LYS A 1 233 ? -9.041 10.538 35.717 1.00 58.19 ? 233 LYS A C 1 ATOM 1830 O O . LYS A 1 233 ? -9.878 9.697 36.042 1.00 57.69 ? 233 LYS A O 1 ATOM 1831 C CB . LYS A 1 233 ? -10.400 12.533 35.034 1.00 60.83 ? 233 LYS A CB 1 ATOM 1832 C CG . LYS A 1 233 ? -10.922 13.529 33.960 1.00 61.26 ? 233 LYS A CG 1 ATOM 1833 C CD . LYS A 1 233 ? -10.070 14.800 33.863 1.00 62.09 ? 233 LYS A CD 1 ATOM 1834 C CE . LYS A 1 233 ? -10.965 16.034 33.665 1.00 63.62 ? 233 LYS A CE 1 ATOM 1835 N NZ . LYS A 1 233 ? -10.248 17.342 33.795 1.00 62.31 ? 233 LYS A NZ 1 ATOM 1836 N N . PRO A 1 234 ? -7.843 10.586 36.297 1.00 56.32 ? 234 PRO A N 1 ATOM 1837 C CA . PRO A 1 234 ? -6.742 11.490 35.988 1.00 55.61 ? 234 PRO A CA 1 ATOM 1838 C C . PRO A 1 234 ? -6.057 11.217 34.641 1.00 54.55 ? 234 PRO A C 1 ATOM 1839 O O . PRO A 1 234 ? -5.732 10.066 34.288 1.00 53.27 ? 234 PRO A O 1 ATOM 1840 C CB . PRO A 1 234 ? -5.804 11.279 37.163 1.00 55.98 ? 234 PRO A CB 1 ATOM 1841 C CG . PRO A 1 234 ? -5.886 9.813 37.357 1.00 55.72 ? 234 PRO A CG 1 ATOM 1842 C CD . PRO A 1 234 ? -7.393 9.509 37.192 1.00 55.85 ? 234 PRO A CD 1 ATOM 1843 N N . SER A 1 235 ? -5.843 12.298 33.910 1.00 53.33 ? 235 SER A N 1 ATOM 1844 C CA . SER A 1 235 ? -5.196 12.272 32.618 1.00 52.04 ? 235 SER A CA 1 ATOM 1845 C C . SER A 1 235 ? -3.861 13.038 32.720 1.00 50.18 ? 235 SER A C 1 ATOM 1846 O O . SER A 1 235 ? -3.862 14.256 32.938 1.00 51.37 ? 235 SER A O 1 ATOM 1847 C CB . SER A 1 235 ? -6.122 12.937 31.561 1.00 52.63 ? 235 SER A CB 1 ATOM 1848 O OG . SER A 1 235 ? -5.386 13.648 30.599 1.00 52.87 ? 235 SER A OG 1 ATOM 1849 N N . PRO A 1 236 ? -2.715 12.358 32.520 1.00 47.83 ? 236 PRO A N 1 ATOM 1850 C CA . PRO A 1 236 ? -1.378 12.989 32.608 1.00 45.56 ? 236 PRO A CA 1 ATOM 1851 C C . PRO A 1 236 ? -1.051 14.090 31.591 1.00 45.01 ? 236 PRO A C 1 ATOM 1852 O O . PRO A 1 236 ? -0.180 14.937 31.817 1.00 45.25 ? 236 PRO A O 1 ATOM 1853 C CB . PRO A 1 236 ? -0.397 11.807 32.457 1.00 44.62 ? 236 PRO A CB 1 ATOM 1854 C CG . PRO A 1 236 ? -1.285 10.569 32.429 1.00 45.26 ? 236 PRO A CG 1 ATOM 1855 C CD . PRO A 1 236 ? -2.610 11.039 31.897 1.00 45.60 ? 236 PRO A CD 1 ATOM 1856 N N . CYS A 1 237 ? -1.713 14.069 30.440 1.00 44.61 ? 237 CYS A N 1 ATOM 1857 C CA . CYS A 1 237 ? -1.448 15.098 29.430 1.00 45.04 ? 237 CYS A CA 1 ATOM 1858 C C . CYS A 1 237 ? -2.148 16.364 29.905 1.00 44.93 ? 237 CYS A C 1 ATOM 1859 O O . CYS A 1 237 ? -1.946 17.473 29.390 1.00 46.00 ? 237 CYS A O 1 ATOM 1860 C CB . CYS A 1 237 ? -1.948 14.674 28.030 1.00 44.00 ? 237 CYS A CB 1 ATOM 1861 S SG . CYS A 1 237 ? -1.167 13.086 27.541 1.00 44.41 ? 237 CYS A SG 1 ATOM 1862 N N . GLU A 1 238 ? -2.957 16.199 30.939 1.00 43.68 ? 238 GLU A N 1 ATOM 1863 C CA . GLU A 1 238 ? -3.666 17.331 31.501 1.00 43.56 ? 238 GLU A CA 1 ATOM 1864 C C . GLU A 1 238 ? -2.820 17.853 32.662 1.00 43.04 ? 238 GLU A C 1 ATOM 1865 O O . GLU A 1 238 ? -2.774 19.053 32.934 1.00 42.40 ? 238 GLU A O 1 ATOM 1866 C CB . GLU A 1 238 ? -5.068 16.906 31.948 1.00 43.25 ? 238 GLU A CB 1 ATOM 1867 C CG . GLU A 1 238 ? -6.186 17.602 31.150 1.00 44.36 ? 238 GLU A CG 1 ATOM 1868 C CD . GLU A 1 238 ? -7.547 16.912 31.250 1.00 43.70 ? 238 GLU A CD 1 ATOM 1869 O OE1 . GLU A 1 238 ? -7.850 16.334 32.316 1.00 44.64 ? 238 GLU A OE1 1 ATOM 1870 O OE2 . GLU A 1 238 ? -8.319 16.963 30.262 1.00 42.67 ? 238 GLU A OE2 1 ATOM 1871 N N . PHE A 1 239 ? -2.092 16.936 33.291 1.00 43.38 ? 239 PHE A N 1 ATOM 1872 C CA . PHE A 1 239 ? -1.221 17.248 34.414 1.00 44.67 ? 239 PHE A CA 1 ATOM 1873 C C . PHE A 1 239 ? 0.042 18.048 34.141 1.00 45.93 ? 239 PHE A C 1 ATOM 1874 O O . PHE A 1 239 ? 0.491 18.767 35.040 1.00 44.33 ? 239 PHE A O 1 ATOM 1875 C CB . PHE A 1 239 ? -0.826 15.977 35.130 1.00 43.12 ? 239 PHE A CB 1 ATOM 1876 C CG . PHE A 1 239 ? -0.173 16.148 36.482 1.00 42.76 ? 239 PHE A CG 1 ATOM 1877 C CD1 . PHE A 1 239 ? -0.928 16.088 37.660 1.00 41.69 ? 239 PHE A CD1 1 ATOM 1878 C CD2 . PHE A 1 239 ? 1.208 16.317 36.580 1.00 41.91 ? 239 PHE A CD2 1 ATOM 1879 C CE1 . PHE A 1 239 ? -0.310 16.179 38.909 1.00 41.45 ? 239 PHE A CE1 1 ATOM 1880 C CE2 . PHE A 1 239 ? 1.834 16.418 37.816 1.00 41.17 ? 239 PHE A CE2 1 ATOM 1881 C CZ . PHE A 1 239 ? 1.078 16.346 38.985 1.00 41.60 ? 239 PHE A CZ 1 ATOM 1882 N N . ILE A 1 240 ? 0.686 17.927 32.992 1.00 47.76 ? 240 ILE A N 1 ATOM 1883 C CA . ILE A 1 240 ? 1.861 18.721 32.760 1.00 50.05 ? 240 ILE A CA 1 ATOM 1884 C C . ILE A 1 240 ? 1.447 20.164 32.609 1.00 50.84 ? 240 ILE A C 1 ATOM 1885 O O . ILE A 1 240 ? 2.076 21.049 33.196 1.00 51.70 ? 240 ILE A O 1 ATOM 1886 C CB . ILE A 1 240 ? 2.679 18.138 31.578 1.00 50.95 ? 240 ILE A CB 1 ATOM 1887 C CG1 . ILE A 1 240 ? 2.057 18.514 30.250 1.00 52.31 ? 240 ILE A CG1 1 ATOM 1888 C CG2 . ILE A 1 240 ? 2.799 16.628 31.704 1.00 51.15 ? 240 ILE A CG2 1 ATOM 1889 C CD1 . ILE A 1 240 ? 1.040 17.514 29.736 1.00 52.31 ? 240 ILE A CD1 1 ATOM 1890 N N . ASN A 1 241 ? 0.416 20.504 31.844 1.00 52.03 ? 241 ASN A N 1 ATOM 1891 C CA . ASN A 1 241 ? -0.027 21.894 31.861 1.00 52.77 ? 241 ASN A CA 1 ATOM 1892 C C . ASN A 1 241 ? -1.480 21.845 32.334 1.00 52.98 ? 241 ASN A C 1 ATOM 1893 O O . ASN A 1 241 ? -2.379 21.411 31.597 1.00 53.59 ? 241 ASN A O 1 ATOM 1894 C CB . ASN A 1 241 ? 0.081 22.627 30.517 1.00 52.78 ? 241 ASN A CB 1 ATOM 1895 C CG . ASN A 1 241 ? -0.037 24.122 30.741 1.00 54.26 ? 241 ASN A CG 1 ATOM 1896 O OD1 . ASN A 1 241 ? -0.170 24.580 31.887 1.00 53.15 ? 241 ASN A OD1 1 ATOM 1897 N ND2 . ASN A 1 241 ? 0.008 24.896 29.660 1.00 54.49 ? 241 ASN A ND2 1 ATOM 1898 N N . THR A 1 242 ? -1.714 22.302 33.552 1.00 52.82 ? 242 THR A N 1 ATOM 1899 C CA . THR A 1 242 ? -3.077 22.284 34.040 1.00 53.18 ? 242 THR A CA 1 ATOM 1900 C C . THR A 1 242 ? -3.834 23.412 33.321 1.00 52.80 ? 242 THR A C 1 ATOM 1901 O O . THR A 1 242 ? -5.051 23.351 33.187 1.00 51.90 ? 242 THR A O 1 ATOM 1902 C CB . THR A 1 242 ? -3.114 22.452 35.547 1.00 54.15 ? 242 THR A CB 1 ATOM 1903 O OG1 . THR A 1 242 ? -2.294 23.559 35.936 1.00 54.85 ? 242 THR A OG1 1 ATOM 1904 C CG2 . THR A 1 242 ? -2.609 21.182 36.223 1.00 55.36 ? 242 THR A CG2 1 ATOM 1905 N N . THR A 1 243 ? -3.104 24.423 32.857 1.00 52.00 ? 243 THR A N 1 ATOM 1906 C CA . THR A 1 243 ? -3.719 25.558 32.181 1.00 51.68 ? 243 THR A CA 1 ATOM 1907 C C . THR A 1 243 ? -4.272 25.167 30.811 1.00 51.98 ? 243 THR A C 1 ATOM 1908 O O . THR A 1 243 ? -5.441 25.433 30.506 1.00 53.13 ? 243 THR A O 1 ATOM 1909 C CB . THR A 1 243 ? -2.719 26.723 31.982 1.00 51.57 ? 243 THR A CB 1 ATOM 1910 O OG1 . THR A 1 243 ? -2.295 27.225 33.257 1.00 51.85 ? 243 THR A OG1 1 ATOM 1911 C CG2 . THR A 1 243 ? -3.382 27.855 31.163 1.00 52.70 ? 243 THR A CG2 1 ATOM 1912 N N . ALA A 1 244 ? -3.443 24.533 29.981 1.00 51.15 ? 244 ALA A N 1 ATOM 1913 C CA . ALA A 1 244 ? -3.878 24.123 28.644 1.00 50.04 ? 244 ALA A CA 1 ATOM 1914 C C . ALA A 1 244 ? -4.991 23.065 28.596 1.00 49.79 ? 244 ALA A C 1 ATOM 1915 O O . ALA A 1 244 ? -5.716 22.970 27.612 1.00 48.22 ? 244 ALA A O 1 ATOM 1916 C CB . ALA A 1 244 ? -2.702 23.644 27.846 1.00 50.22 ? 244 ALA A CB 1 ATOM 1917 N N . ARG A 1 245 ? -5.120 22.268 29.648 1.00 50.44 ? 245 ARG A N 1 ATOM 1918 C CA . ARG A 1 245 ? -6.131 21.177 29.779 1.00 52.10 ? 245 ARG A CA 1 ATOM 1919 C C . ARG A 1 245 ? -6.384 20.399 28.493 1.00 51.93 ? 245 ARG A C 1 ATOM 1920 O O . ARG A 1 245 ? -7.531 20.242 28.083 1.00 52.38 ? 245 ARG A O 1 ATOM 1921 C CB . ARG A 1 245 ? -7.403 21.733 30.428 1.00 53.30 ? 245 ARG A CB 1 ATOM 1922 C CG . ARG A 1 245 ? -7.049 22.551 31.676 1.00 56.43 ? 245 ARG A CG 1 ATOM 1923 C CD . ARG A 1 245 ? -7.835 22.141 32.905 1.00 58.35 ? 245 ARG A CD 1 ATOM 1924 N NE . ARG A 1 245 ? -7.428 20.838 33.488 1.00 58.31 ? 245 ARG A NE 1 ATOM 1925 C CZ . ARG A 1 245 ? -6.927 20.618 34.716 1.00 60.04 ? 245 ARG A CZ 1 ATOM 1926 N NH1 . ARG A 1 245 ? -6.737 21.641 35.538 1.00 60.71 ? 245 ARG A NH1 1 ATOM 1927 N NH2 . ARG A 1 245 ? -6.635 19.386 35.113 1.00 59.06 ? 245 ARG A NH2 1 ATOM 1928 N N . VAL A 1 246 ? -5.315 19.917 27.849 1.00 51.63 ? 246 VAL A N 1 ATOM 1929 C CA . VAL A 1 246 ? -5.481 19.097 26.662 1.00 50.70 ? 246 VAL A CA 1 ATOM 1930 C C . VAL A 1 246 ? -5.203 17.683 27.163 1.00 49.81 ? 246 VAL A C 1 ATOM 1931 O O . VAL A 1 246 ? -4.148 17.442 27.746 1.00 50.55 ? 246 VAL A O 1 ATOM 1932 C CB . VAL A 1 246 ? -4.460 19.499 25.535 1.00 49.91 ? 246 VAL A CB 1 ATOM 1933 C CG1 . VAL A 1 246 ? -4.777 18.770 24.261 1.00 48.24 ? 246 VAL A CG1 1 ATOM 1934 C CG2 . VAL A 1 246 ? -4.543 21.002 25.309 1.00 46.81 ? 246 VAL A CG2 1 ATOM 1935 N N . PRO A 1 247 ? -6.150 16.741 26.976 1.00 49.06 ? 247 PRO A N 1 ATOM 1936 C CA . PRO A 1 247 ? -5.968 15.362 27.430 1.00 47.57 ? 247 PRO A CA 1 ATOM 1937 C C . PRO A 1 247 ? -5.101 14.510 26.525 1.00 46.51 ? 247 PRO A C 1 ATOM 1938 O O . PRO A 1 247 ? -4.634 14.964 25.476 1.00 45.10 ? 247 PRO A O 1 ATOM 1939 C CB . PRO A 1 247 ? -7.410 14.835 27.549 1.00 47.25 ? 247 PRO A CB 1 ATOM 1940 C CG . PRO A 1 247 ? -8.257 15.776 26.690 1.00 46.82 ? 247 PRO A CG 1 ATOM 1941 C CD . PRO A 1 247 ? -7.350 16.846 26.136 1.00 47.91 ? 247 PRO A CD 1 ATOM 1942 N N . CYS A 1 248 ? -4.897 13.268 26.941 1.00 46.39 ? 248 CYS A N 1 ATOM 1943 C CA . CYS A 1 248 ? -4.084 12.344 26.174 1.00 46.63 ? 248 CYS A CA 1 ATOM 1944 C C . CYS A 1 248 ? -4.959 11.753 25.080 1.00 47.13 ? 248 CYS A C 1 ATOM 1945 O O . CYS A 1 248 ? -6.188 11.847 25.153 1.00 47.14 ? 248 CYS A O 1 ATOM 1946 C CB . CYS A 1 248 ? -3.562 11.233 27.068 1.00 46.10 ? 248 CYS A CB 1 ATOM 1947 S SG . CYS A 1 248 ? -2.401 11.708 28.401 1.00 48.08 ? 248 CYS A SG 1 ATOM 1948 N N . PHE A 1 249 ? -4.329 11.171 24.060 1.00 47.12 ? 249 PHE A N 1 ATOM 1949 C CA . PHE A 1 249 ? -5.050 10.572 22.939 1.00 45.79 ? 249 PHE A CA 1 ATOM 1950 C C . PHE A 1 249 ? -5.612 9.204 23.254 1.00 45.18 ? 249 PHE A C 1 ATOM 1951 O O . PHE A 1 249 ? -5.252 8.591 24.252 1.00 45.29 ? 249 PHE A O 1 ATOM 1952 C CB . PHE A 1 249 ? -4.141 10.421 21.729 1.00 45.21 ? 249 PHE A CB 1 ATOM 1953 C CG . PHE A 1 249 ? -3.828 11.711 21.038 1.00 47.66 ? 249 PHE A CG 1 ATOM 1954 C CD1 . PHE A 1 249 ? -4.839 12.457 20.425 1.00 49.80 ? 249 PHE A CD1 1 ATOM 1955 C CD2 . PHE A 1 249 ? -2.516 12.163 20.938 1.00 47.59 ? 249 PHE A CD2 1 ATOM 1956 C CE1 . PHE A 1 249 ? -4.539 13.626 19.726 1.00 47.87 ? 249 PHE A CE1 1 ATOM 1957 C CE2 . PHE A 1 249 ? -2.212 13.333 20.244 1.00 48.69 ? 249 PHE A CE2 1 ATOM 1958 C CZ . PHE A 1 249 ? -3.225 14.065 19.635 1.00 49.10 ? 249 PHE A CZ 1 ATOM 1959 N N . LEU A 1 250 ? -6.488 8.714 22.386 1.00 44.93 ? 250 LEU A N 1 ATOM 1960 C CA . LEU A 1 250 ? -7.059 7.391 22.567 1.00 44.54 ? 250 LEU A CA 1 ATOM 1961 C C . LEU A 1 250 ? -6.725 6.501 21.384 1.00 44.73 ? 250 LEU A C 1 ATOM 1962 O O . LEU A 1 250 ? -7.108 6.788 20.242 1.00 44.68 ? 250 LEU A O 1 ATOM 1963 C CB . LEU A 1 250 ? -8.557 7.469 22.702 1.00 42.94 ? 250 LEU A CB 1 ATOM 1964 C CG . LEU A 1 250 ? -9.098 6.068 22.998 1.00 43.60 ? 250 LEU A CG 1 ATOM 1965 C CD1 . LEU A 1 250 ? -8.701 5.610 24.381 1.00 42.61 ? 250 LEU A CD1 1 ATOM 1966 C CD2 . LEU A 1 250 ? -10.608 6.127 22.871 1.00 41.80 ? 250 LEU A CD2 1 ATOM 1967 N N . ALA A 1 251 ? -6.006 5.419 21.650 1.00 43.80 ? 251 ALA A N 1 ATOM 1968 C CA . ALA A 1 251 ? -5.644 4.533 20.566 1.00 42.69 ? 251 ALA A CA 1 ATOM 1969 C C . ALA A 1 251 ? -5.725 3.081 20.960 1.00 41.83 ? 251 ALA A C 1 ATOM 1970 O O . ALA A 1 251 ? -6.002 2.755 22.126 1.00 42.35 ? 251 ALA A O 1 ATOM 1971 C CB . ALA A 1 251 ? -4.245 4.866 20.080 1.00 43.34 ? 251 ALA A CB 1 ATOM 1972 N N . GLY A 1 252 ? -5.508 2.214 19.974 1.00 39.55 ? 252 GLY A N 1 ATOM 1973 C CA . GLY A 1 252 ? -5.535 0.793 20.239 1.00 38.50 ? 252 GLY A CA 1 ATOM 1974 C C . GLY A 1 252 ? -4.584 0.403 21.359 1.00 37.34 ? 252 GLY A C 1 ATOM 1975 O O . GLY A 1 252 ? -4.810 -0.605 22.023 1.00 36.45 ? 252 GLY A O 1 ATOM 1976 N N . ASP A 1 253 ? -3.514 1.170 21.559 1.00 38.29 ? 253 ASP A N 1 ATOM 1977 C CA . ASP A 1 253 ? -2.561 0.871 22.628 1.00 39.92 ? 253 ASP A CA 1 ATOM 1978 C C . ASP A 1 253 ? -2.567 1.961 23.672 1.00 41.06 ? 253 ASP A C 1 ATOM 1979 O O . ASP A 1 253 ? -2.613 3.147 23.346 1.00 40.98 ? 253 ASP A O 1 ATOM 1980 C CB . ASP A 1 253 ? -1.138 0.741 22.107 1.00 39.19 ? 253 ASP A CB 1 ATOM 1981 C CG . ASP A 1 253 ? -0.135 0.511 23.234 1.00 40.65 ? 253 ASP A CG 1 ATOM 1982 O OD1 . ASP A 1 253 ? -0.046 -0.625 23.735 1.00 42.38 ? 253 ASP A OD1 1 ATOM 1983 O OD2 . ASP A 1 253 ? 0.535 1.478 23.633 1.00 38.14 ? 253 ASP A OD2 1 ATOM 1984 N N . PHE A 1 254 ? -2.483 1.577 24.936 1.00 44.14 ? 254 PHE A N 1 ATOM 1985 C CA . PHE A 1 254 ? -2.526 2.574 25.974 1.00 46.37 ? 254 PHE A CA 1 ATOM 1986 C C . PHE A 1 254 ? -1.399 3.587 26.195 1.00 44.91 ? 254 PHE A C 1 ATOM 1987 O O . PHE A 1 254 ? -1.683 4.704 26.621 1.00 46.43 ? 254 PHE A O 1 ATOM 1988 C CB . PHE A 1 254 ? -2.948 1.894 27.281 1.00 49.06 ? 254 PHE A CB 1 ATOM 1989 C CG . PHE A 1 254 ? -4.398 1.547 27.310 1.00 52.31 ? 254 PHE A CG 1 ATOM 1990 C CD1 . PHE A 1 254 ? -4.844 0.263 27.001 1.00 54.04 ? 254 PHE A CD1 1 ATOM 1991 C CD2 . PHE A 1 254 ? -5.332 2.554 27.523 1.00 53.93 ? 254 PHE A CD2 1 ATOM 1992 C CE1 . PHE A 1 254 ? -6.220 -0.010 26.898 1.00 55.26 ? 254 PHE A CE1 1 ATOM 1993 C CE2 . PHE A 1 254 ? -6.709 2.300 27.419 1.00 55.44 ? 254 PHE A CE2 1 ATOM 1994 C CZ . PHE A 1 254 ? -7.153 1.010 27.103 1.00 56.49 ? 254 PHE A CZ 1 ATOM 1995 N N . ARG A 1 255 ? -0.156 3.252 25.864 1.00 42.43 ? 255 ARG A N 1 ATOM 1996 C CA . ARG A 1 255 ? 0.970 4.183 26.042 1.00 40.30 ? 255 ARG A CA 1 ATOM 1997 C C . ARG A 1 255 ? 1.157 5.227 24.902 1.00 39.61 ? 255 ARG A C 1 ATOM 1998 O O . ARG A 1 255 ? 2.171 5.925 24.851 1.00 39.33 ? 255 ARG A O 1 ATOM 1999 C CB . ARG A 1 255 ? 2.269 3.360 26.203 1.00 39.54 ? 255 ARG A CB 1 ATOM 2000 C CG . ARG A 1 255 ? 2.132 2.164 27.115 1.00 36.97 ? 255 ARG A CG 1 ATOM 2001 C CD . ARG A 1 255 ? 3.067 0.993 26.763 1.00 36.55 ? 255 ARG A CD 1 ATOM 2002 N NE . ARG A 1 255 ? 2.568 0.197 25.641 1.00 35.91 ? 255 ARG A NE 1 ATOM 2003 C CZ . ARG A 1 255 ? 3.098 -0.956 25.224 1.00 33.63 ? 255 ARG A CZ 1 ATOM 2004 N NH1 . ARG A 1 255 ? 4.156 -1.480 25.827 1.00 33.72 ? 255 ARG A NH1 1 ATOM 2005 N NH2 . ARG A 1 255 ? 2.563 -1.600 24.195 1.00 32.86 ? 255 ARG A NH2 1 ATOM 2006 N N . ALA A 1 256 ? 0.197 5.328 23.990 1.00 37.60 ? 256 ALA A N 1 ATOM 2007 C CA . ALA A 1 256 ? 0.283 6.244 22.836 1.00 37.23 ? 256 ALA A CA 1 ATOM 2008 C C . ALA A 1 256 ? 0.822 7.662 23.060 1.00 37.43 ? 256 ALA A C 1 ATOM 2009 O O . ALA A 1 256 ? 1.585 8.199 22.247 1.00 37.37 ? 256 ALA A O 1 ATOM 2010 C CB . ALA A 1 256 ? -1.095 6.346 22.174 1.00 37.22 ? 256 ALA A CB 1 ATOM 2011 N N . SER A 1 257 ? 0.427 8.285 24.158 1.00 36.36 ? 257 SER A N 1 ATOM 2012 C CA . SER A 1 257 ? 0.869 9.648 24.384 1.00 34.51 ? 257 SER A CA 1 ATOM 2013 C C . SER A 1 257 ? 2.031 9.825 25.337 1.00 34.89 ? 257 SER A C 1 ATOM 2014 O O . SER A 1 257 ? 2.256 10.918 25.868 1.00 33.78 ? 257 SER A O 1 ATOM 2015 C CB . SER A 1 257 ? -0.321 10.489 24.821 1.00 33.66 ? 257 SER A CB 1 ATOM 2016 O OG . SER A 1 257 ? -1.344 10.346 23.858 1.00 28.98 ? 257 SER A OG 1 ATOM 2017 N N . GLU A 1 258 ? 2.862 8.686 25.524 1.00 34.79 ? 258 GLU A N 1 ATOM 2018 C CA . GLU A 1 258 ? 4.070 8.736 26.401 1.00 34.61 ? 258 GLU A CA 1 ATOM 2019 C C . GLU A 1 258 ? 4.784 10.036 26.040 1.00 34.12 ? 258 GLU A C 1 ATOM 2020 O O . GLU A 1 258 ? 5.003 10.885 26.890 1.00 34.57 ? 258 GLU A O 1 ATOM 2021 C CB . GLU A 1 258 ? 5.068 7.576 26.280 1.00 36.02 ? 258 GLU A CB 1 ATOM 2022 C CG . GLU A 1 258 ? 6.231 7.712 27.265 1.00 34.98 ? 258 GLU A CG 1 ATOM 2023 C CD . GLU A 1 258 ? 7.605 7.793 26.600 1.00 35.03 ? 258 GLU A CD 1 ATOM 2024 O OE1 . GLU A 1 258 ? 7.703 7.387 25.419 1.00 34.94 ? 258 GLU A OE1 1 ATOM 2025 O OE2 . GLU A 1 258 ? 8.571 8.261 27.265 1.00 35.61 ? 258 GLU A OE2 1 ATOM 2026 N N . GLN A 1 259 ? 5.148 10.206 24.772 1.00 32.16 ? 259 GLN A N 1 ATOM 2027 C CA . GLN A 1 259 ? 5.735 11.469 24.274 1.00 32.55 ? 259 GLN A CA 1 ATOM 2028 C C . GLN A 1 259 ? 5.187 11.796 22.927 1.00 32.58 ? 259 GLN A C 1 ATOM 2029 O O . GLN A 1 259 ? 4.740 10.968 22.143 1.00 33.99 ? 259 GLN A O 1 ATOM 2030 C CB . GLN A 1 259 ? 7.286 11.535 24.122 1.00 31.79 ? 259 GLN A CB 1 ATOM 2031 C CG . GLN A 1 259 ? 8.028 10.215 23.822 1.00 32.12 ? 259 GLN A CG 1 ATOM 2032 C CD . GLN A 1 259 ? 8.187 9.772 22.357 1.00 33.09 ? 259 GLN A CD 1 ATOM 2033 O OE1 . GLN A 1 259 ? 8.425 10.575 21.447 1.00 31.38 ? 259 GLN A OE1 1 ATOM 2034 N NE2 . GLN A 1 259 ? 8.107 8.520 21.925 1.00 32.70 ? 259 GLN A NE2 1 ATOM 2035 N N . ILE A 1 260 ? 5.262 13.100 22.699 1.00 34.27 ? 260 ILE A N 1 ATOM 2036 C CA . ILE A 1 260 ? 4.743 13.757 21.507 1.00 35.80 ? 260 ILE A CA 1 ATOM 2037 C C . ILE A 1 260 ? 4.994 13.105 20.148 1.00 36.17 ? 260 ILE A C 1 ATOM 2038 O O . ILE A 1 260 ? 4.135 13.180 19.258 1.00 35.94 ? 260 ILE A O 1 ATOM 2039 C CB . ILE A 1 260 ? 5.222 15.243 21.483 1.00 36.56 ? 260 ILE A CB 1 ATOM 2040 C CG1 . ILE A 1 260 ? 4.200 16.093 20.732 1.00 37.94 ? 260 ILE A CG1 1 ATOM 2041 C CG2 . ILE A 1 260 ? 6.609 15.330 20.852 1.00 36.85 ? 260 ILE A CG2 1 ATOM 2042 C CD1 . ILE A 1 260 ? 2.823 16.001 21.338 1.00 39.29 ? 260 ILE A CD1 1 ATOM 2043 N N . LEU A 1 261 ? 6.161 12.469 20.008 1.00 34.03 ? 261 LEU A N 1 ATOM 2044 C CA . LEU A 1 261 ? 6.581 11.780 18.781 1.00 32.03 ? 261 LEU A CA 1 ATOM 2045 C C . LEU A 1 261 ? 5.947 10.421 18.500 1.00 32.92 ? 261 LEU A C 1 ATOM 2046 O O . LEU A 1 261 ? 5.888 9.967 17.349 1.00 33.51 ? 261 LEU A O 1 ATOM 2047 C CB . LEU A 1 261 ? 8.101 11.626 18.780 1.00 31.56 ? 261 LEU A CB 1 ATOM 2048 C CG . LEU A 1 261 ? 8.826 12.703 17.986 1.00 30.76 ? 261 LEU A CG 1 ATOM 2049 C CD1 . LEU A 1 261 ? 8.159 14.046 18.105 1.00 26.80 ? 261 LEU A CD1 1 ATOM 2050 C CD2 . LEU A 1 261 ? 10.258 12.749 18.476 1.00 32.95 ? 261 LEU A CD2 1 ATOM 2051 N N . LEU A 1 262 ? 5.512 9.749 19.559 1.00 30.88 ? 262 LEU A N 1 ATOM 2052 C CA . LEU A 1 262 ? 4.859 8.451 19.425 1.00 30.15 ? 262 LEU A CA 1 ATOM 2053 C C . LEU A 1 262 ? 3.397 8.768 19.151 1.00 30.12 ? 262 LEU A C 1 ATOM 2054 O O . LEU A 1 262 ? 2.770 8.151 18.291 1.00 30.65 ? 262 LEU A O 1 ATOM 2055 C CB . LEU A 1 262 ? 5.018 7.643 20.718 1.00 31.58 ? 262 LEU A CB 1 ATOM 2056 C CG . LEU A 1 262 ? 4.139 6.453 21.081 1.00 29.99 ? 262 LEU A CG 1 ATOM 2057 C CD1 . LEU A 1 262 ? 4.525 5.151 20.342 1.00 31.33 ? 262 LEU A CD1 1 ATOM 2058 C CD2 . LEU A 1 262 ? 4.313 6.268 22.577 1.00 30.17 ? 262 LEU A CD2 1 ATOM 2059 N N . ALA A 1 263 ? 2.860 9.747 19.877 1.00 30.00 ? 263 ALA A N 1 ATOM 2060 C CA . ALA A 1 263 ? 1.481 10.160 19.673 1.00 31.61 ? 263 ALA A CA 1 ATOM 2061 C C . ALA A 1 263 ? 1.407 10.527 18.202 1.00 32.54 ? 263 ALA A C 1 ATOM 2062 O O . ALA A 1 263 ? 0.513 10.107 17.479 1.00 33.75 ? 263 ALA A O 1 ATOM 2063 C CB . ALA A 1 263 ? 1.150 11.376 20.546 1.00 27.92 ? 263 ALA A CB 1 ATOM 2064 N N . THR A 1 264 ? 2.395 11.304 17.783 1.00 35.44 ? 264 THR A N 1 ATOM 2065 C CA . THR A 1 264 ? 2.507 11.748 16.418 1.00 36.94 ? 264 THR A CA 1 ATOM 2066 C C . THR A 1 264 ? 2.504 10.526 15.513 1.00 36.69 ? 264 THR A C 1 ATOM 2067 O O . THR A 1 264 ? 1.660 10.414 14.641 1.00 36.41 ? 264 THR A O 1 ATOM 2068 C CB . THR A 1 264 ? 3.807 12.539 16.187 1.00 38.53 ? 264 THR A CB 1 ATOM 2069 O OG1 . THR A 1 264 ? 3.831 13.669 17.062 1.00 39.64 ? 264 THR A OG1 1 ATOM 2070 C CG2 . THR A 1 264 ? 3.893 13.012 14.731 1.00 36.11 ? 264 THR A CG2 1 ATOM 2071 N N . ALA A 1 265 ? 3.447 9.613 15.696 1.00 38.19 ? 265 ALA A N 1 ATOM 2072 C CA . ALA A 1 265 ? 3.481 8.423 14.859 1.00 39.86 ? 265 ALA A CA 1 ATOM 2073 C C . ALA A 1 265 ? 2.101 7.770 14.877 1.00 40.32 ? 265 ALA A C 1 ATOM 2074 O O . ALA A 1 265 ? 1.558 7.404 13.831 1.00 42.39 ? 265 ALA A O 1 ATOM 2075 C CB . ALA A 1 265 ? 4.575 7.436 15.367 1.00 39.61 ? 265 ALA A CB 1 ATOM 2076 N N . HIS A 1 266 ? 1.515 7.645 16.060 1.00 40.43 ? 266 HIS A N 1 ATOM 2077 C CA . HIS A 1 266 ? 0.198 7.039 16.169 1.00 41.44 ? 266 HIS A CA 1 ATOM 2078 C C . HIS A 1 266 ? -0.821 7.782 15.317 1.00 42.79 ? 266 HIS A C 1 ATOM 2079 O O . HIS A 1 266 ? -1.776 7.183 14.832 1.00 43.48 ? 266 HIS A O 1 ATOM 2080 C CB . HIS A 1 266 ? -0.267 7.039 17.628 1.00 42.38 ? 266 HIS A CB 1 ATOM 2081 C CG . HIS A 1 266 ? -0.101 5.722 18.326 1.00 43.67 ? 266 HIS A CG 1 ATOM 2082 N ND1 . HIS A 1 266 ? -0.935 4.645 18.104 1.00 43.27 ? 266 HIS A ND1 1 ATOM 2083 C CD2 . HIS A 1 266 ? 0.789 5.320 19.267 1.00 42.66 ? 266 HIS A CD2 1 ATOM 2084 C CE1 . HIS A 1 266 ? -0.571 3.641 18.883 1.00 41.37 ? 266 HIS A CE1 1 ATOM 2085 N NE2 . HIS A 1 266 ? 0.471 4.025 19.599 1.00 40.81 ? 266 HIS A NE2 1 ATOM 2086 N N . THR A 1 267 ? -0.645 9.085 15.131 1.00 44.14 ? 267 THR A N 1 ATOM 2087 C CA . THR A 1 267 ? -1.635 9.792 14.344 1.00 45.17 ? 267 THR A CA 1 ATOM 2088 C C . THR A 1 267 ? -1.533 9.464 12.863 1.00 46.22 ? 267 THR A C 1 ATOM 2089 O O . THR A 1 267 ? -2.565 9.374 12.178 1.00 48.42 ? 267 THR A O 1 ATOM 2090 C CB . THR A 1 267 ? -1.591 11.316 14.564 1.00 44.77 ? 267 THR A CB 1 ATOM 2091 O OG1 . THR A 1 267 ? -1.371 11.591 15.956 1.00 43.10 ? 267 THR A OG1 1 ATOM 2092 C CG2 . THR A 1 267 ? -2.942 11.930 14.163 1.00 42.62 ? 267 THR A CG2 1 ATOM 2093 N N . LEU A 1 268 ? -0.318 9.263 12.358 1.00 45.04 ? 268 LEU A N 1 ATOM 2094 C CA . LEU A 1 268 ? -0.183 8.910 10.943 1.00 46.85 ? 268 LEU A CA 1 ATOM 2095 C C . LEU A 1 268 ? -0.927 7.595 10.694 1.00 47.19 ? 268 LEU A C 1 ATOM 2096 O O . LEU A 1 268 ? -1.529 7.407 9.640 1.00 46.70 ? 268 LEU A O 1 ATOM 2097 C CB . LEU A 1 268 ? 1.274 8.667 10.516 1.00 46.19 ? 268 LEU A CB 1 ATOM 2098 C CG . LEU A 1 268 ? 2.371 9.733 10.470 1.00 46.01 ? 268 LEU A CG 1 ATOM 2099 C CD1 . LEU A 1 268 ? 1.899 10.917 9.656 1.00 45.08 ? 268 LEU A CD1 1 ATOM 2100 C CD2 . LEU A 1 268 ? 2.762 10.103 11.887 1.00 44.72 ? 268 LEU A CD2 1 ATOM 2101 N N . LEU A 1 269 ? -0.880 6.682 11.661 1.00 47.65 ? 269 LEU A N 1 ATOM 2102 C CA . LEU A 1 269 ? -1.526 5.387 11.496 1.00 46.90 ? 269 LEU A CA 1 ATOM 2103 C C . LEU A 1 269 ? -3.043 5.366 11.338 1.00 46.69 ? 269 LEU A C 1 ATOM 2104 O O . LEU A 1 269 ? -3.577 4.567 10.571 1.00 47.85 ? 269 LEU A O 1 ATOM 2105 C CB . LEU A 1 269 ? -1.096 4.458 12.634 1.00 47.07 ? 269 LEU A CB 1 ATOM 2106 C CG . LEU A 1 269 ? 0.333 4.007 12.316 1.00 45.90 ? 269 LEU A CG 1 ATOM 2107 C CD1 . LEU A 1 269 ? 0.911 3.164 13.427 1.00 45.64 ? 269 LEU A CD1 1 ATOM 2108 C CD2 . LEU A 1 269 ? 0.311 3.246 10.994 1.00 45.79 ? 269 LEU A CD2 1 ATOM 2109 N N . LEU A 1 270 ? -3.741 6.230 12.059 1.00 47.94 ? 270 LEU A N 1 ATOM 2110 C CA . LEU A 1 270 ? -5.197 6.278 11.985 1.00 48.40 ? 270 LEU A CA 1 ATOM 2111 C C . LEU A 1 270 ? -5.632 6.859 10.634 1.00 48.72 ? 270 LEU A C 1 ATOM 2112 O O . LEU A 1 270 ? -6.424 6.243 9.913 1.00 47.87 ? 270 LEU A O 1 ATOM 2113 C CB . LEU A 1 270 ? -5.737 7.118 13.144 1.00 48.15 ? 270 LEU A CB 1 ATOM 2114 C CG . LEU A 1 270 ? -7.196 7.005 13.618 1.00 49.55 ? 270 LEU A CG 1 ATOM 2115 C CD1 . LEU A 1 270 ? -7.361 5.858 14.611 1.00 48.25 ? 270 LEU A CD1 1 ATOM 2116 C CD2 . LEU A 1 270 ? -7.583 8.324 14.280 1.00 49.51 ? 270 LEU A CD2 1 ATOM 2117 N N . ARG A 1 271 ? -5.082 8.019 10.280 1.00 50.12 ? 271 ARG A N 1 ATOM 2118 C CA . ARG A 1 271 ? -5.411 8.661 9.007 1.00 51.87 ? 271 ARG A CA 1 ATOM 2119 C C . ARG A 1 271 ? -5.301 7.672 7.846 1.00 52.90 ? 271 ARG A C 1 ATOM 2120 O O . ARG A 1 271 ? -6.132 7.675 6.931 1.00 52.50 ? 271 ARG A O 1 ATOM 2121 C CB . ARG A 1 271 ? -4.478 9.853 8.733 1.00 52.05 ? 271 ARG A CB 1 ATOM 2122 C CG . ARG A 1 271 ? -4.582 11.005 9.735 1.00 51.07 ? 271 ARG A CG 1 ATOM 2123 C CD . ARG A 1 271 ? -3.611 12.146 9.432 1.00 49.66 ? 271 ARG A CD 1 ATOM 2124 N NE . ARG A 1 271 ? -3.655 13.186 10.468 1.00 50.74 ? 271 ARG A NE 1 ATOM 2125 C CZ . ARG A 1 271 ? -2.860 14.261 10.525 1.00 51.47 ? 271 ARG A CZ 1 ATOM 2126 N NH1 . ARG A 1 271 ? -1.927 14.474 9.600 1.00 48.84 ? 271 ARG A NH1 1 ATOM 2127 N NH2 . ARG A 1 271 ? -2.998 15.128 11.526 1.00 50.79 ? 271 ARG A NH2 1 ATOM 2128 N N . GLU A 1 272 ? -4.269 6.834 7.885 1.00 53.11 ? 272 GLU A N 1 ATOM 2129 C CA . GLU A 1 272 ? -4.061 5.851 6.837 1.00 54.81 ? 272 GLU A CA 1 ATOM 2130 C C . GLU A 1 272 ? -5.192 4.827 6.838 1.00 56.48 ? 272 GLU A C 1 ATOM 2131 O O . GLU A 1 272 ? -5.528 4.283 5.799 1.00 56.80 ? 272 GLU A O 1 ATOM 2132 C CB . GLU A 1 272 ? -2.714 5.156 7.033 1.00 54.75 ? 272 GLU A CB 1 ATOM 2133 C CG . GLU A 1 272 ? -2.395 4.035 6.033 1.00 56.32 ? 272 GLU A CG 1 ATOM 2134 C CD . GLU A 1 272 ? -2.389 4.491 4.580 1.00 56.19 ? 272 GLU A CD 1 ATOM 2135 O OE1 . GLU A 1 272 ? -2.374 5.720 4.336 1.00 56.82 ? 272 GLU A OE1 1 ATOM 2136 O OE2 . GLU A 1 272 ? -2.398 3.612 3.685 1.00 54.56 ? 272 GLU A OE2 1 ATOM 2137 N N . HIS A 1 273 ? -5.793 4.572 8.000 1.00 58.15 ? 273 HIS A N 1 ATOM 2138 C CA . HIS A 1 273 ? -6.885 3.604 8.069 1.00 58.90 ? 273 HIS A CA 1 ATOM 2139 C C . HIS A 1 273 ? -8.131 4.225 7.493 1.00 59.22 ? 273 HIS A C 1 ATOM 2140 O O . HIS A 1 273 ? -8.998 3.541 6.929 1.00 58.87 ? 273 HIS A O 1 ATOM 2141 C CB . HIS A 1 273 ? -7.185 3.189 9.517 1.00 59.60 ? 273 HIS A CB 1 ATOM 2142 C CG . HIS A 1 273 ? -8.576 2.669 9.710 1.00 60.11 ? 273 HIS A CG 1 ATOM 2143 N ND1 . HIS A 1 273 ? -8.927 1.366 9.430 1.00 60.65 ? 273 HIS A ND1 1 ATOM 2144 C CD2 . HIS A 1 273 ? -9.725 3.306 10.035 1.00 60.62 ? 273 HIS A CD2 1 ATOM 2145 C CE1 . HIS A 1 273 ? -10.233 1.224 9.570 1.00 60.16 ? 273 HIS A CE1 1 ATOM 2146 N NE2 . HIS A 1 273 ? -10.741 2.387 9.936 1.00 61.12 ? 273 HIS A NE2 1 ATOM 2147 N N . ASN A 1 274 ? -8.251 5.532 7.653 1.00 59.16 ? 274 ASN A N 1 ATOM 2148 C CA . ASN A 1 274 ? -9.435 6.180 7.148 1.00 58.31 ? 274 ASN A CA 1 ATOM 2149 C C . ASN A 1 274 ? -9.187 6.372 5.674 1.00 59.54 ? 274 ASN A C 1 ATOM 2150 O O . ASN A 1 274 ? -10.047 6.044 4.861 1.00 59.71 ? 274 ASN A O 1 ATOM 2151 C CB . ASN A 1 274 ? -9.683 7.497 7.881 1.00 54.19 ? 274 ASN A CB 1 ATOM 2152 C CG . ASN A 1 274 ? -10.336 7.284 9.248 1.00 52.06 ? 274 ASN A CG 1 ATOM 2153 O OD1 . ASN A 1 274 ? -10.560 6.146 9.681 1.00 49.85 ? 274 ASN A OD1 1 ATOM 2154 N ND2 . ASN A 1 274 ? -10.642 8.375 9.929 1.00 51.47 ? 274 ASN A ND2 1 ATOM 2155 N N . ARG A 1 275 ? -8.027 6.875 5.320 1.00 60.79 ? 275 ARG A N 1 ATOM 2156 C CA . ARG A 1 275 ? -7.714 7.014 3.915 1.00 62.95 ? 275 ARG A CA 1 ATOM 2157 C C . ARG A 1 275 ? -8.076 5.709 3.181 1.00 64.17 ? 275 ARG A C 1 ATOM 2158 O O . ARG A 1 275 ? -8.766 5.752 2.167 1.00 64.63 ? 275 ARG A O 1 ATOM 2159 C CB . ARG A 1 275 ? -6.243 7.364 3.676 1.00 62.97 ? 275 ARG A CB 1 ATOM 2160 C CG . ARG A 1 275 ? -6.011 7.766 2.216 1.00 64.30 ? 275 ARG A CG 1 ATOM 2161 C CD . ARG A 1 275 ? -4.584 8.188 1.947 1.00 63.98 ? 275 ARG A CD 1 ATOM 2162 N NE . ARG A 1 275 ? -3.675 7.053 2.066 1.00 64.97 ? 275 ARG A NE 1 ATOM 2163 C CZ . ARG A 1 275 ? -3.747 5.941 1.342 1.00 65.07 ? 275 ARG A CZ 1 ATOM 2164 N NH1 . ARG A 1 275 ? -4.695 5.785 0.428 1.00 64.05 ? 275 ARG A NH1 1 ATOM 2165 N NH2 . ARG A 1 275 ? -2.852 4.982 1.529 1.00 65.04 ? 275 ARG A NH2 1 ATOM 2166 N N . LEU A 1 276 ? -7.625 4.558 3.692 1.00 64.63 ? 276 LEU A N 1 ATOM 2167 C CA . LEU A 1 276 ? -7.887 3.258 3.067 1.00 64.96 ? 276 LEU A CA 1 ATOM 2168 C C . LEU A 1 276 ? -9.398 2.933 2.950 1.00 66.22 ? 276 LEU A C 1 ATOM 2169 O O . LEU A 1 276 ? -9.798 2.153 2.083 1.00 66.91 ? 276 LEU A O 1 ATOM 2170 C CB . LEU A 1 276 ? -7.263 2.132 3.911 1.00 64.03 ? 276 LEU A CB 1 ATOM 2171 C CG . LEU A 1 276 ? -6.113 1.287 3.350 1.00 63.05 ? 276 LEU A CG 1 ATOM 2172 C CD1 . LEU A 1 276 ? -5.843 1.619 1.901 1.00 63.01 ? 276 LEU A CD1 1 ATOM 2173 C CD2 . LEU A 1 276 ? -4.852 1.471 4.183 1.00 62.62 ? 276 LEU A CD2 1 ATOM 2174 N N . ALA A 1 277 ? -10.212 3.535 3.808 1.00 67.50 ? 277 ALA A N 1 ATOM 2175 C CA . ALA A 1 277 ? -11.643 3.262 3.807 1.00 68.74 ? 277 ALA A CA 1 ATOM 2176 C C . ALA A 1 277 ? -12.495 4.094 2.853 1.00 69.53 ? 277 ALA A C 1 ATOM 2177 O O . ALA A 1 277 ? -13.663 3.775 2.633 1.00 69.84 ? 277 ALA A O 1 ATOM 2178 C CB . ALA A 1 277 ? -12.184 3.424 5.219 1.00 68.36 ? 277 ALA A CB 1 ATOM 2179 N N . ARG A 1 278 ? -11.936 5.163 2.299 1.00 70.54 ? 278 ARG A N 1 ATOM 2180 C CA . ARG A 1 278 ? -12.689 6.002 1.366 1.00 71.35 ? 278 ARG A CA 1 ATOM 2181 C C . ARG A 1 278 ? -12.493 5.425 -0.040 1.00 71.74 ? 278 ARG A C 1 ATOM 2182 O O . ARG A 1 278 ? -13.462 5.151 -0.761 1.00 72.46 ? 278 ARG A O 1 ATOM 2183 C CB . ARG A 1 278 ? -12.186 7.447 1.449 1.00 70.48 ? 278 ARG A CB 1 ATOM 2184 C CG . ARG A 1 278 ? -11.519 7.770 2.789 1.00 70.82 ? 278 ARG A CG 1 ATOM 2185 C CD . ARG A 1 278 ? -11.410 9.269 3.045 1.00 70.42 ? 278 ARG A CD 1 ATOM 2186 N NE . ARG A 1 278 ? -12.485 9.749 3.913 1.00 70.06 ? 278 ARG A NE 1 ATOM 2187 C CZ . ARG A 1 278 ? -12.341 10.029 5.205 1.00 70.07 ? 278 ARG A CZ 1 ATOM 2188 N NH1 . ARG A 1 278 ? -11.162 9.885 5.793 1.00 70.18 ? 278 ARG A NH1 1 ATOM 2189 N NH2 . ARG A 1 278 ? -13.379 10.455 5.909 1.00 71.28 ? 278 ARG A NH2 1 ATOM 2190 N N . GLU A 1 279 ? -11.222 5.223 -0.392 1.00 71.77 ? 279 GLU A N 1 ATOM 2191 C CA . GLU A 1 279 ? -10.789 4.649 -1.676 1.00 71.75 ? 279 GLU A CA 1 ATOM 2192 C C . GLU A 1 279 ? -11.572 3.384 -1.988 1.00 71.70 ? 279 GLU A C 1 ATOM 2193 O O . GLU A 1 279 ? -11.831 3.061 -3.154 1.00 71.11 ? 279 GLU A O 1 ATOM 2194 C CB . GLU A 1 279 ? -9.321 4.218 -1.601 1.00 71.84 ? 279 GLU A CB 1 ATOM 2195 C CG . GLU A 1 279 ? -8.255 5.254 -1.881 1.00 71.59 ? 279 GLU A CG 1 ATOM 2196 C CD . GLU A 1 279 ? -8.685 6.664 -1.567 1.00 72.36 ? 279 GLU A CD 1 ATOM 2197 O OE1 . GLU A 1 279 ? -9.276 7.303 -2.465 1.00 72.28 ? 279 GLU A OE1 1 ATOM 2198 O OE2 . GLU A 1 279 ? -8.427 7.128 -0.433 1.00 72.17 ? 279 GLU A OE2 1 ATOM 2199 N N . LEU A 1 280 ? -11.890 2.658 -0.913 1.00 72.21 ? 280 LEU A N 1 ATOM 2200 C CA . LEU A 1 280 ? -12.604 1.378 -0.938 1.00 72.20 ? 280 LEU A CA 1 ATOM 2201 C C . LEU A 1 280 ? -14.112 1.442 -1.083 1.00 72.55 ? 280 LEU A C 1 ATOM 2202 O O . LEU A 1 280 ? -14.704 0.615 -1.778 1.00 72.26 ? 280 LEU A O 1 ATOM 2203 C CB . LEU A 1 280 ? -12.294 0.589 0.329 1.00 72.08 ? 280 LEU A CB 1 ATOM 2204 C CG . LEU A 1 280 ? -11.011 -0.219 0.408 1.00 71.86 ? 280 LEU A CG 1 ATOM 2205 C CD1 . LEU A 1 280 ? -10.913 -0.752 1.811 1.00 71.89 ? 280 LEU A CD1 1 ATOM 2206 C CD2 . LEU A 1 280 ? -11.009 -1.353 -0.612 1.00 71.70 ? 280 LEU A CD2 1 ATOM 2207 N N . LYS A 1 281 ? -14.703 2.343 -0.327 1.00 73.39 ? 281 LYS A N 1 ATOM 2208 C CA . LYS A 1 281 ? -16.087 2.449 -0.543 1.00 74.45 ? 281 LYS A CA 1 ATOM 2209 C C . LYS A 1 281 ? -16.130 2.875 -2.013 1.00 74.71 ? 281 LYS A C 1 ATOM 2210 O O . LYS A 1 281 ? -16.917 2.348 -2.812 1.00 74.95 ? 281 LYS A O 1 ATOM 2211 C CB . LYS A 1 281 ? -16.787 3.533 0.272 1.00 74.83 ? 281 LYS A CB 1 ATOM 2212 C CG . LYS A 1 281 ? -17.961 4.208 -0.426 1.00 76.12 ? 281 LYS A CG 1 ATOM 2213 C CD . LYS A 1 281 ? -19.195 3.315 -0.428 1.00 78.36 ? 281 LYS A CD 1 ATOM 2214 C CE . LYS A 1 281 ? -19.715 3.073 0.974 1.00 78.89 ? 281 LYS A CE 1 ATOM 2215 N NZ . LYS A 1 281 ? -19.375 1.713 1.473 1.00 78.79 ? 281 LYS A NZ 1 ATOM 2216 N N . LYS A 1 282 ? -15.289 3.869 -2.397 1.00 74.54 ? 282 LYS A N 1 ATOM 2217 C CA . LYS A 1 282 ? -15.188 4.433 -3.755 1.00 74.24 ? 282 LYS A CA 1 ATOM 2218 C C . LYS A 1 282 ? -15.160 3.369 -4.808 1.00 74.18 ? 282 LYS A C 1 ATOM 2219 O O . LYS A 1 282 ? -15.935 3.374 -5.762 1.00 74.09 ? 282 LYS A O 1 ATOM 2220 C CB . LYS A 1 282 ? -13.920 5.273 -3.847 1.00 74.42 ? 282 LYS A CB 1 ATOM 2221 C CG . LYS A 1 282 ? -14.063 6.571 -4.628 1.00 74.14 ? 282 LYS A CG 1 ATOM 2222 C CD . LYS A 1 282 ? -13.368 7.703 -3.882 1.00 74.28 ? 282 LYS A CD 1 ATOM 2223 C CE . LYS A 1 282 ? -14.356 8.445 -3.002 1.00 74.50 ? 282 LYS A CE 1 ATOM 2224 N NZ . LYS A 1 282 ? -14.135 9.916 -3.037 1.00 73.75 ? 282 LYS A NZ 1 ATOM 2225 N N . LEU A 1 283 ? -14.245 2.461 -4.614 1.00 73.69 ? 283 LEU A N 1 ATOM 2226 C CA . LEU A 1 283 ? -14.130 1.377 -5.553 1.00 72.81 ? 283 LEU A CA 1 ATOM 2227 C C . LEU A 1 283 ? -15.206 0.330 -5.342 1.00 72.43 ? 283 LEU A C 1 ATOM 2228 O O . LEU A 1 283 ? -15.861 -0.061 -6.313 1.00 72.75 ? 283 LEU A O 1 ATOM 2229 C CB . LEU A 1 283 ? -12.773 0.725 -5.442 1.00 72.56 ? 283 LEU A CB 1 ATOM 2230 C CG . LEU A 1 283 ? -11.883 0.936 -6.664 1.00 73.70 ? 283 LEU A CG 1 ATOM 2231 C CD1 . LEU A 1 283 ? -11.082 2.215 -6.524 1.00 74.14 ? 283 LEU A CD1 1 ATOM 2232 C CD2 . LEU A 1 283 ? -10.943 -0.248 -6.865 1.00 73.53 ? 283 LEU A CD2 1 ATOM 2233 N N . ASN A 1 284 ? -15.395 -0.137 -4.113 1.00 71.36 ? 284 ASN A N 1 ATOM 2234 C CA . ASN A 1 284 ? -16.417 -1.138 -3.885 1.00 70.90 ? 284 ASN A CA 1 ATOM 2235 C C . ASN A 1 284 ? -17.628 -0.571 -3.121 1.00 71.03 ? 284 ASN A C 1 ATOM 2236 O O . ASN A 1 284 ? -17.877 -0.941 -1.969 1.00 71.51 ? 284 ASN A O 1 ATOM 2237 C CB . ASN A 1 284 ? -15.799 -2.352 -3.177 1.00 70.56 ? 284 ASN A CB 1 ATOM 2238 C CG . ASN A 1 284 ? -14.601 -2.912 -3.934 1.00 70.79 ? 284 ASN A CG 1 ATOM 2239 O OD1 . ASN A 1 284 ? -14.479 -2.729 -5.148 1.00 71.11 ? 284 ASN A OD1 1 ATOM 2240 N ND2 . ASN A 1 284 ? -13.721 -3.606 -3.227 1.00 70.15 ? 284 ASN A ND2 1 ATOM 2241 N N . PRO A 1 285 ? -18.390 0.346 -3.764 1.00 70.81 ? 285 PRO A N 1 ATOM 2242 C CA . PRO A 1 285 ? -19.586 1.026 -3.253 1.00 70.21 ? 285 PRO A CA 1 ATOM 2243 C C . PRO A 1 285 ? -20.524 0.160 -2.420 1.00 69.91 ? 285 PRO A C 1 ATOM 2244 O O . PRO A 1 285 ? -21.206 0.651 -1.513 1.00 69.21 ? 285 PRO A O 1 ATOM 2245 C CB . PRO A 1 285 ? -20.251 1.526 -4.532 1.00 70.36 ? 285 PRO A CB 1 ATOM 2246 C CG . PRO A 1 285 ? -19.085 1.971 -5.321 1.00 70.39 ? 285 PRO A CG 1 ATOM 2247 C CD . PRO A 1 285 ? -18.091 0.824 -5.128 1.00 70.63 ? 285 PRO A CD 1 ATOM 2248 N N . HIS A 1 286 ? -20.530 -1.133 -2.724 1.00 69.79 ? 286 HIS A N 1 ATOM 2249 C CA . HIS A 1 286 ? -21.421 -2.100 -2.047 1.00 69.67 ? 286 HIS A CA 1 ATOM 2250 C C . HIS A 1 286 ? -20.882 -2.706 -0.726 1.00 69.26 ? 286 HIS A C 1 ATOM 2251 O O . HIS A 1 286 ? -21.690 -3.059 0.137 1.00 69.42 ? 286 HIS A O 1 ATOM 2252 C CB . HIS A 1 286 ? -21.787 -3.216 -3.036 1.00 70.23 ? 286 HIS A CB 1 ATOM 2253 C CG . HIS A 1 286 ? -20.535 -3.707 -3.798 1.00 70.88 ? 286 HIS A CG 1 ATOM 2254 N ND1 . HIS A 1 286 ? -19.612 -2.853 -4.363 1.00 70.38 ? 286 HIS A ND1 1 ATOM 2255 C CD2 . HIS A 1 286 ? -20.107 -4.960 -4.074 1.00 70.74 ? 286 HIS A CD2 1 ATOM 2256 C CE1 . HIS A 1 286 ? -18.664 -3.560 -4.951 1.00 70.54 ? 286 HIS A CE1 1 ATOM 2257 N NE2 . HIS A 1 286 ? -18.941 -4.841 -4.790 1.00 71.05 ? 286 HIS A NE2 1 ATOM 2258 N N . TRP A 1 287 ? -19.564 -2.838 -0.569 1.00 68.23 ? 287 TRP A N 1 ATOM 2259 C CA . TRP A 1 287 ? -18.966 -3.408 0.656 1.00 67.07 ? 287 TRP A CA 1 ATOM 2260 C C . TRP A 1 287 ? -19.422 -2.637 1.905 1.00 65.49 ? 287 TRP A C 1 ATOM 2261 O O . TRP A 1 287 ? -19.421 -1.405 1.905 1.00 64.79 ? 287 TRP A O 1 ATOM 2262 C CB . TRP A 1 287 ? -17.440 -3.378 0.590 1.00 67.97 ? 287 TRP A CB 1 ATOM 2263 C CG . TRP A 1 287 ? -16.801 -4.371 -0.326 1.00 69.23 ? 287 TRP A CG 1 ATOM 2264 C CD1 . TRP A 1 287 ? -17.409 -5.142 -1.274 1.00 70.36 ? 287 TRP A CD1 1 ATOM 2265 C CD2 . TRP A 1 287 ? -15.409 -4.708 -0.370 1.00 70.00 ? 287 TRP A CD2 1 ATOM 2266 N NE1 . TRP A 1 287 ? -16.480 -5.937 -1.908 1.00 70.34 ? 287 TRP A NE1 1 ATOM 2267 C CE2 . TRP A 1 287 ? -15.244 -5.689 -1.373 1.00 70.23 ? 287 TRP A CE2 1 ATOM 2268 C CE3 . TRP A 1 287 ? -14.284 -4.275 0.341 1.00 70.37 ? 287 TRP A CE3 1 ATOM 2269 C CZ2 . TRP A 1 287 ? -13.993 -6.249 -1.682 1.00 70.14 ? 287 TRP A CZ2 1 ATOM 2270 C CZ3 . TRP A 1 287 ? -13.037 -4.836 0.032 1.00 71.11 ? 287 TRP A CZ3 1 ATOM 2271 C CH2 . TRP A 1 287 ? -12.908 -5.811 -0.971 1.00 70.48 ? 287 TRP A CH2 1 ATOM 2272 N N . ASN A 1 288 ? -19.823 -3.339 2.969 1.00 63.92 ? 288 ASN A N 1 ATOM 2273 C CA . ASN A 1 288 ? -20.335 -2.649 4.171 1.00 62.44 ? 288 ASN A CA 1 ATOM 2274 C C . ASN A 1 288 ? -19.217 -2.181 5.113 1.00 61.67 ? 288 ASN A C 1 ATOM 2275 O O . ASN A 1 288 ? -18.024 -2.425 4.859 1.00 60.68 ? 288 ASN A O 1 ATOM 2276 C CB . ASN A 1 288 ? -21.311 -3.555 4.917 1.00 62.36 ? 288 ASN A CB 1 ATOM 2277 C CG . ASN A 1 288 ? -20.657 -4.668 5.718 1.00 62.95 ? 288 ASN A CG 1 ATOM 2278 O OD1 . ASN A 1 288 ? -20.264 -5.689 5.173 1.00 63.10 ? 288 ASN A OD1 1 ATOM 2279 N ND2 . ASN A 1 288 ? -20.551 -4.470 7.039 1.00 61.81 ? 288 ASN A ND2 1 ATOM 2280 N N . GLY A 1 289 ? -19.596 -1.506 6.180 1.00 59.97 ? 289 GLY A N 1 ATOM 2281 C CA . GLY A 1 289 ? -18.672 -0.957 7.172 1.00 58.72 ? 289 GLY A CA 1 ATOM 2282 C C . GLY A 1 289 ? -17.574 -1.923 7.573 1.00 58.49 ? 289 GLY A C 1 ATOM 2283 O O . GLY A 1 289 ? -16.382 -1.679 7.348 1.00 56.25 ? 289 GLY A O 1 ATOM 2284 N N . GLU A 1 290 ? -18.005 -3.023 8.182 1.00 59.00 ? 290 GLU A N 1 ATOM 2285 C CA . GLU A 1 290 ? -17.141 -4.102 8.649 1.00 58.78 ? 290 GLU A CA 1 ATOM 2286 C C . GLU A 1 290 ? -16.082 -4.443 7.621 1.00 58.85 ? 290 GLU A C 1 ATOM 2287 O O . GLU A 1 290 ? -14.890 -4.572 7.917 1.00 60.09 ? 290 GLU A O 1 ATOM 2288 C CB . GLU A 1 290 ? -17.983 -5.343 8.851 1.00 58.63 ? 290 GLU A CB 1 ATOM 2289 C CG . GLU A 1 290 ? -17.256 -6.476 9.470 1.00 59.65 ? 290 GLU A CG 1 ATOM 2290 C CD . GLU A 1 290 ? -17.229 -6.338 10.964 1.00 61.04 ? 290 GLU A CD 1 ATOM 2291 O OE1 . GLU A 1 290 ? -17.909 -5.413 11.458 1.00 61.39 ? 290 GLU A OE1 1 ATOM 2292 O OE2 . GLU A 1 290 ? -16.548 -7.145 11.639 1.00 61.76 ? 290 GLU A OE2 1 ATOM 2293 N N . LYS A 1 291 ? -16.554 -4.601 6.395 1.00 57.83 ? 291 LYS A N 1 ATOM 2294 C CA . LYS A 1 291 ? -15.710 -4.978 5.280 1.00 57.51 ? 291 LYS A CA 1 ATOM 2295 C C . LYS A 1 291 ? -14.657 -3.947 4.859 1.00 57.17 ? 291 LYS A C 1 ATOM 2296 O O . LYS A 1 291 ? -13.608 -4.324 4.356 1.00 56.59 ? 291 LYS A O 1 ATOM 2297 C CB . LYS A 1 291 ? -16.599 -5.365 4.095 1.00 57.12 ? 291 LYS A CB 1 ATOM 2298 C CG . LYS A 1 291 ? -15.915 -6.214 3.043 1.00 56.65 ? 291 LYS A CG 1 ATOM 2299 C CD . LYS A 1 291 ? -15.358 -7.532 3.572 1.00 55.87 ? 291 LYS A CD 1 ATOM 2300 C CE . LYS A 1 291 ? -15.034 -8.452 2.389 1.00 55.45 ? 291 LYS A CE 1 ATOM 2301 N NZ . LYS A 1 291 ? -14.258 -7.752 1.312 1.00 54.33 ? 291 LYS A NZ 1 ATOM 2302 N N . LEU A 1 292 ? -14.923 -2.656 5.025 1.00 58.17 ? 292 LEU A N 1 ATOM 2303 C CA . LEU A 1 292 ? -13.947 -1.652 4.663 1.00 58.98 ? 292 LEU A CA 1 ATOM 2304 C C . LEU A 1 292 ? -13.012 -1.472 5.883 1.00 59.67 ? 292 LEU A C 1 ATOM 2305 O O . LEU A 1 292 ? -11.899 -0.945 5.782 1.00 59.47 ? 292 LEU A O 1 ATOM 2306 C CB . LEU A 1 292 ? -14.615 -0.322 4.323 1.00 60.30 ? 292 LEU A CB 1 ATOM 2307 C CG . LEU A 1 292 ? -15.452 -0.185 3.026 1.00 60.20 ? 292 LEU A CG 1 ATOM 2308 C CD1 . LEU A 1 292 ? -15.862 -1.562 2.485 1.00 61.19 ? 292 LEU A CD1 1 ATOM 2309 C CD2 . LEU A 1 292 ? -16.683 0.678 3.259 1.00 59.97 ? 292 LEU A CD2 1 ATOM 2310 N N . TYR A 1 293 ? -13.483 -1.950 7.067 1.00 59.82 ? 293 TYR A N 1 ATOM 2311 C CA . TYR A 1 293 ? -12.777 -1.908 8.361 1.00 60.15 ? 293 TYR A CA 1 ATOM 2312 C C . TYR A 1 293 ? -11.771 -3.062 8.459 1.00 61.05 ? 293 TYR A C 1 ATOM 2313 O O . TYR A 1 293 ? -10.574 -2.852 8.709 1.00 61.76 ? 293 TYR A O 1 ATOM 2314 C CB . TYR A 1 293 ? -13.706 -2.054 9.536 1.00 59.47 ? 293 TYR A CB 1 ATOM 2315 C CG . TYR A 1 293 ? -13.002 -2.334 10.868 1.00 58.60 ? 293 TYR A CG 1 ATOM 2316 C CD1 . TYR A 1 293 ? -12.071 -1.424 11.370 1.00 58.47 ? 293 TYR A CD1 1 ATOM 2317 C CD2 . TYR A 1 293 ? -13.296 -3.463 11.609 1.00 58.55 ? 293 TYR A CD2 1 ATOM 2318 C CE1 . TYR A 1 293 ? -11.454 -1.625 12.567 1.00 58.57 ? 293 TYR A CE1 1 ATOM 2319 C CE2 . TYR A 1 293 ? -12.679 -3.671 12.845 1.00 58.76 ? 293 TYR A CE2 1 ATOM 2320 C CZ . TYR A 1 293 ? -11.760 -2.745 13.314 1.00 58.19 ? 293 TYR A CZ 1 ATOM 2321 O OH . TYR A 1 293 ? -11.151 -2.955 14.534 1.00 57.30 ? 293 TYR A OH 1 ATOM 2322 N N . GLN A 1 294 ? -12.253 -4.241 8.279 1.00 60.94 ? 294 GLN A N 1 ATOM 2323 C CA . GLN A 1 294 ? -11.328 -5.354 8.361 1.00 60.61 ? 294 GLN A CA 1 ATOM 2324 C C . GLN A 1 294 ? -10.412 -5.301 7.144 1.00 60.06 ? 294 GLN A C 1 ATOM 2325 O O . GLN A 1 294 ? -9.225 -5.617 7.267 1.00 60.66 ? 294 GLN A O 1 ATOM 2326 C CB . GLN A 1 294 ? -12.069 -6.692 8.362 1.00 61.27 ? 294 GLN A CB 1 ATOM 2327 C CG . GLN A 1 294 ? -13.039 -6.873 9.535 1.00 61.32 ? 294 GLN A CG 1 ATOM 2328 C CD . GLN A 1 294 ? -12.284 -7.075 10.843 1.00 61.17 ? 294 GLN A CD 1 ATOM 2329 O OE1 . GLN A 1 294 ? -11.053 -7.007 10.868 1.00 60.65 ? 294 GLN A OE1 1 ATOM 2330 N NE2 . GLN A 1 294 ? -12.811 -7.323 12.031 1.00 60.83 ? 294 GLN A NE2 1 ATOM 2331 N N . GLU A 1 295 ? -10.898 -4.917 5.937 1.00 58.72 ? 295 GLU A N 1 ATOM 2332 C CA . GLU A 1 295 ? -9.991 -4.917 4.793 1.00 58.07 ? 295 GLU A CA 1 ATOM 2333 C C . GLU A 1 295 ? -8.987 -3.775 4.912 1.00 56.83 ? 295 GLU A C 1 ATOM 2334 O O . GLU A 1 295 ? -7.900 -3.888 4.369 1.00 56.39 ? 295 GLU A O 1 ATOM 2335 C CB . GLU A 1 295 ? -10.746 -4.860 3.431 1.00 57.87 ? 295 GLU A CB 1 ATOM 2336 C CG . GLU A 1 295 ? -9.996 -5.498 2.241 1.00 57.50 ? 295 GLU A CG 1 ATOM 2337 C CD . GLU A 1 295 ? -10.211 -7.007 2.130 1.00 57.29 ? 295 GLU A CD 1 ATOM 2338 O OE1 . GLU A 1 295 ? -11.325 -7.468 2.493 1.00 55.04 ? 295 GLU A OE1 1 ATOM 2339 O OE2 . GLU A 1 295 ? -9.285 -7.706 1.685 1.00 56.53 ? 295 GLU A OE2 1 ATOM 2340 N N . ALA A 1 296 ? -9.306 -2.671 5.602 1.00 55.95 ? 296 ALA A N 1 ATOM 2341 C CA . ALA A 1 296 ? -8.353 -1.558 5.815 1.00 54.89 ? 296 ALA A CA 1 ATOM 2342 C C . ALA A 1 296 ? -7.363 -2.108 6.806 1.00 54.59 ? 296 ALA A C 1 ATOM 2343 O O . ALA A 1 296 ? -6.155 -2.151 6.559 1.00 53.83 ? 296 ALA A O 1 ATOM 2344 C CB . ALA A 1 296 ? -9.046 -0.343 6.432 1.00 55.12 ? 296 ALA A CB 1 ATOM 2345 N N . ARG A 1 297 ? -7.913 -2.484 7.955 1.00 53.62 ? 297 ARG A N 1 ATOM 2346 C CA . ARG A 1 297 ? -7.157 -3.067 9.043 1.00 51.94 ? 297 ARG A CA 1 ATOM 2347 C C . ARG A 1 297 ? -6.242 -4.075 8.381 1.00 51.45 ? 297 ARG A C 1 ATOM 2348 O O . ARG A 1 297 ? -5.021 -4.035 8.565 1.00 51.86 ? 297 ARG A O 1 ATOM 2349 C CB . ARG A 1 297 ? -8.115 -3.761 10.018 1.00 50.84 ? 297 ARG A CB 1 ATOM 2350 C CG . ARG A 1 297 ? -7.485 -4.796 10.931 1.00 48.28 ? 297 ARG A CG 1 ATOM 2351 C CD . ARG A 1 297 ? -8.390 -5.148 12.109 1.00 47.03 ? 297 ARG A CD 1 ATOM 2352 N NE . ARG A 1 297 ? -7.669 -5.906 13.126 1.00 46.39 ? 297 ARG A NE 1 ATOM 2353 C CZ . ARG A 1 297 ? -7.749 -7.223 13.286 1.00 45.94 ? 297 ARG A CZ 1 ATOM 2354 N NH1 . ARG A 1 297 ? -8.527 -7.957 12.504 1.00 46.64 ? 297 ARG A NH1 1 ATOM 2355 N NH2 . ARG A 1 297 ? -7.026 -7.817 14.221 1.00 45.93 ? 297 ARG A NH2 1 ATOM 2356 N N . LYS A 1 298 ? -6.845 -4.944 7.569 1.00 51.63 ? 298 LYS A N 1 ATOM 2357 C CA . LYS A 1 298 ? -6.100 -5.968 6.864 1.00 51.26 ? 298 LYS A CA 1 ATOM 2358 C C . LYS A 1 298 ? -4.868 -5.326 6.115 1.00 50.99 ? 298 LYS A C 1 ATOM 2359 O O . LYS A 1 298 ? -3.781 -5.862 6.233 1.00 50.98 ? 298 LYS A O 1 ATOM 2360 C CB . LYS A 1 298 ? -6.989 -6.695 5.847 1.00 50.89 ? 298 LYS A CB 1 ATOM 2361 C CG . LYS A 1 298 ? -6.503 -8.114 5.500 1.00 51.42 ? 298 LYS A CG 1 ATOM 2362 C CD . LYS A 1 298 ? -7.267 -8.743 4.340 1.00 52.18 ? 298 LYS A CD 1 ATOM 2363 C CE . LYS A 1 298 ? -6.397 -9.731 3.562 1.00 51.40 ? 298 LYS A CE 1 ATOM 2364 N NZ . LYS A 1 298 ? -6.720 -11.142 3.914 1.00 52.51 ? 298 LYS A NZ 1 ATOM 2365 N N . ILE A 1 299 ? -5.001 -4.200 5.355 1.00 49.96 ? 299 ILE A N 1 ATOM 2366 C CA . ILE A 1 299 ? -3.844 -3.611 4.617 1.00 48.78 ? 299 ILE A CA 1 ATOM 2367 C C . ILE A 1 299 ? -2.863 -2.927 5.542 1.00 48.09 ? 299 ILE A C 1 ATOM 2368 O O . ILE A 1 299 ? -1.654 -2.930 5.330 1.00 47.31 ? 299 ILE A O 1 ATOM 2369 C CB . ILE A 1 299 ? -4.361 -2.569 3.603 1.00 49.66 ? 299 ILE A CB 1 ATOM 2370 C CG1 . ILE A 1 299 ? -5.697 -3.052 3.008 1.00 49.56 ? 299 ILE A CG1 1 ATOM 2371 C CG2 . ILE A 1 299 ? -3.343 -2.337 2.497 1.00 49.79 ? 299 ILE A CG2 1 ATOM 2372 C CD1 . ILE A 1 299 ? -6.208 -2.199 1.871 1.00 49.25 ? 299 ILE A CD1 1 ATOM 2373 N N . LEU A 1 300 ? -3.443 -2.308 6.572 1.00 46.74 ? 300 LEU A N 1 ATOM 2374 C CA . LEU A 1 300 ? -2.645 -1.602 7.562 1.00 44.30 ? 300 LEU A CA 1 ATOM 2375 C C . LEU A 1 300 ? -1.691 -2.540 8.288 1.00 43.76 ? 300 LEU A C 1 ATOM 2376 O O . LEU A 1 300 ? -0.529 -2.201 8.465 1.00 43.70 ? 300 LEU A O 1 ATOM 2377 C CB . LEU A 1 300 ? -3.490 -0.871 8.600 1.00 42.85 ? 300 LEU A CB 1 ATOM 2378 C CG . LEU A 1 300 ? -2.668 -0.012 9.555 1.00 43.18 ? 300 LEU A CG 1 ATOM 2379 C CD1 . LEU A 1 300 ? -1.843 1.000 8.765 1.00 42.31 ? 300 LEU A CD1 1 ATOM 2380 C CD2 . LEU A 1 300 ? -3.559 0.670 10.572 1.00 41.83 ? 300 LEU A CD2 1 ATOM 2381 N N . GLY A 1 301 ? -2.184 -3.700 8.702 1.00 43.48 ? 301 GLY A N 1 ATOM 2382 C CA . GLY A 1 301 ? -1.318 -4.638 9.389 1.00 44.83 ? 301 GLY A CA 1 ATOM 2383 C C . GLY A 1 301 ? -0.198 -5.091 8.467 1.00 45.55 ? 301 GLY A C 1 ATOM 2384 O O . GLY A 1 301 ? 0.967 -5.130 8.851 1.00 45.39 ? 301 GLY A O 1 ATOM 2385 N N . ALA A 1 302 ? -0.567 -5.436 7.236 1.00 45.95 ? 302 ALA A N 1 ATOM 2386 C CA . ALA A 1 302 ? 0.387 -5.886 6.229 1.00 44.53 ? 302 ALA A CA 1 ATOM 2387 C C . ALA A 1 302 ? 1.449 -4.814 6.068 1.00 44.41 ? 302 ALA A C 1 ATOM 2388 O O . ALA A 1 302 ? 2.648 -5.105 6.042 1.00 44.72 ? 302 ALA A O 1 ATOM 2389 C CB . ALA A 1 302 ? -0.339 -6.120 4.900 1.00 45.92 ? 302 ALA A CB 1 ATOM 2390 N N . PHE A 1 303 ? 0.992 -3.571 5.986 1.00 43.91 ? 303 PHE A N 1 ATOM 2391 C CA . PHE A 1 303 ? 1.888 -2.450 5.834 1.00 45.21 ? 303 PHE A CA 1 ATOM 2392 C C . PHE A 1 303 ? 2.910 -2.429 6.974 1.00 45.28 ? 303 PHE A C 1 ATOM 2393 O O . PHE A 1 303 ? 4.117 -2.322 6.740 1.00 46.02 ? 303 PHE A O 1 ATOM 2394 C CB . PHE A 1 303 ? 1.094 -1.146 5.821 1.00 46.27 ? 303 PHE A CB 1 ATOM 2395 C CG . PHE A 1 303 ? 1.946 0.071 6.012 1.00 48.03 ? 303 PHE A CG 1 ATOM 2396 C CD1 . PHE A 1 303 ? 2.785 0.516 4.996 1.00 49.66 ? 303 PHE A CD1 1 ATOM 2397 C CD2 . PHE A 1 303 ? 1.944 0.752 7.225 1.00 47.48 ? 303 PHE A CD2 1 ATOM 2398 C CE1 . PHE A 1 303 ? 3.609 1.626 5.185 1.00 47.84 ? 303 PHE A CE1 1 ATOM 2399 C CE2 . PHE A 1 303 ? 2.762 1.854 7.421 1.00 46.51 ? 303 PHE A CE2 1 ATOM 2400 C CZ . PHE A 1 303 ? 3.598 2.293 6.399 1.00 47.73 ? 303 PHE A CZ 1 ATOM 2401 N N . ILE A 1 304 ? 2.439 -2.512 8.214 1.00 45.12 ? 304 ILE A N 1 ATOM 2402 C CA . ILE A 1 304 ? 3.364 -2.498 9.339 1.00 43.45 ? 304 ILE A CA 1 ATOM 2403 C C . ILE A 1 304 ? 4.283 -3.702 9.286 1.00 42.50 ? 304 ILE A C 1 ATOM 2404 O O . ILE A 1 304 ? 5.418 -3.636 9.753 1.00 44.08 ? 304 ILE A O 1 ATOM 2405 C CB . ILE A 1 304 ? 2.639 -2.520 10.693 1.00 43.39 ? 304 ILE A CB 1 ATOM 2406 C CG1 . ILE A 1 304 ? 1.844 -1.226 10.878 1.00 42.27 ? 304 ILE A CG1 1 ATOM 2407 C CG2 . ILE A 1 304 ? 3.661 -2.691 11.818 1.00 42.93 ? 304 ILE A CG2 1 ATOM 2408 C CD1 . ILE A 1 304 ? 1.049 -1.179 12.164 1.00 42.25 ? 304 ILE A CD1 1 ATOM 2409 N N . GLN A 1 305 ? 3.816 -4.810 8.723 1.00 42.30 ? 305 GLN A N 1 ATOM 2410 C CA . GLN A 1 305 ? 4.669 -5.989 8.647 1.00 42.64 ? 305 GLN A CA 1 ATOM 2411 C C . GLN A 1 305 ? 5.835 -5.729 7.666 1.00 43.84 ? 305 GLN A C 1 ATOM 2412 O O . GLN A 1 305 ? 6.988 -6.031 7.983 1.00 45.10 ? 305 GLN A O 1 ATOM 2413 C CB . GLN A 1 305 ? 3.849 -7.250 8.263 1.00 42.09 ? 305 GLN A CB 1 ATOM 2414 C CG . GLN A 1 305 ? 2.682 -7.552 9.236 1.00 41.75 ? 305 GLN A CG 1 ATOM 2415 C CD . GLN A 1 305 ? 2.110 -8.981 9.165 1.00 42.36 ? 305 GLN A CD 1 ATOM 2416 O OE1 . GLN A 1 305 ? 1.818 -9.494 8.090 1.00 41.58 ? 305 GLN A OE1 1 ATOM 2417 N NE2 . GLN A 1 305 ? 1.938 -9.616 10.332 1.00 41.51 ? 305 GLN A NE2 1 ATOM 2418 N N . ILE A 1 306 ? 5.568 -5.126 6.511 1.00 43.66 ? 306 ILE A N 1 ATOM 2419 C CA . ILE A 1 306 ? 6.641 -4.862 5.555 1.00 42.56 ? 306 ILE A CA 1 ATOM 2420 C C . ILE A 1 306 ? 7.681 -3.786 5.943 1.00 43.27 ? 306 ILE A C 1 ATOM 2421 O O . ILE A 1 306 ? 8.873 -3.984 5.722 1.00 42.59 ? 306 ILE A O 1 ATOM 2422 C CB . ILE A 1 306 ? 6.031 -4.595 4.144 1.00 42.89 ? 306 ILE A CB 1 ATOM 2423 C CG1 . ILE A 1 306 ? 5.313 -5.862 3.679 1.00 42.55 ? 306 ILE A CG1 1 ATOM 2424 C CG2 . ILE A 1 306 ? 7.118 -4.255 3.142 1.00 41.79 ? 306 ILE A CG2 1 ATOM 2425 C CD1 . ILE A 1 306 ? 4.079 -5.631 2.848 1.00 42.81 ? 306 ILE A CD1 1 ATOM 2426 N N . ILE A 1 307 ? 7.259 -2.665 6.528 1.00 43.58 ? 307 ILE A N 1 ATOM 2427 C CA . ILE A 1 307 ? 8.219 -1.630 6.936 1.00 43.01 ? 307 ILE A CA 1 ATOM 2428 C C . ILE A 1 307 ? 9.174 -2.213 7.988 1.00 42.30 ? 307 ILE A C 1 ATOM 2429 O O . ILE A 1 307 ? 10.388 -2.010 7.938 1.00 40.25 ? 307 ILE A O 1 ATOM 2430 C CB . ILE A 1 307 ? 7.534 -0.424 7.615 1.00 44.73 ? 307 ILE A CB 1 ATOM 2431 C CG1 . ILE A 1 307 ? 6.342 0.058 6.787 1.00 46.33 ? 307 ILE A CG1 1 ATOM 2432 C CG2 . ILE A 1 307 ? 8.574 0.703 7.822 1.00 45.01 ? 307 ILE A CG2 1 ATOM 2433 C CD1 . ILE A 1 307 ? 6.717 0.906 5.596 1.00 45.15 ? 307 ILE A CD1 1 ATOM 2434 N N . THR A 1 308 ? 8.596 -2.922 8.956 1.00 42.05 ? 308 THR A N 1 ATOM 2435 C CA . THR A 1 308 ? 9.360 -3.533 10.034 1.00 42.75 ? 308 THR A CA 1 ATOM 2436 C C . THR A 1 308 ? 10.329 -4.622 9.552 1.00 43.50 ? 308 THR A C 1 ATOM 2437 O O . THR A 1 308 ? 11.521 -4.621 9.899 1.00 43.41 ? 308 THR A O 1 ATOM 2438 C CB . THR A 1 308 ? 8.436 -4.157 11.085 1.00 43.06 ? 308 THR A CB 1 ATOM 2439 O OG1 . THR A 1 308 ? 7.602 -3.140 11.649 1.00 43.21 ? 308 THR A OG1 1 ATOM 2440 C CG2 . THR A 1 308 ? 9.273 -4.801 12.197 1.00 41.77 ? 308 THR A CG2 1 ATOM 2441 N N . PHE A 1 309 ? 9.826 -5.558 8.754 1.00 43.95 ? 309 PHE A N 1 ATOM 2442 C CA . PHE A 1 309 ? 10.665 -6.641 8.260 1.00 45.19 ? 309 PHE A CA 1 ATOM 2443 C C . PHE A 1 309 ? 11.460 -6.348 6.984 1.00 46.25 ? 309 PHE A C 1 ATOM 2444 O O . PHE A 1 309 ? 12.505 -6.964 6.746 1.00 47.93 ? 309 PHE A O 1 ATOM 2445 C CB . PHE A 1 309 ? 9.817 -7.904 8.080 1.00 43.85 ? 309 PHE A CB 1 ATOM 2446 C CG . PHE A 1 309 ? 9.570 -8.656 9.365 1.00 43.57 ? 309 PHE A CG 1 ATOM 2447 C CD1 . PHE A 1 309 ? 8.931 -8.046 10.444 1.00 42.84 ? 309 PHE A CD1 1 ATOM 2448 C CD2 . PHE A 1 309 ? 10.003 -9.969 9.498 1.00 41.90 ? 309 PHE A CD2 1 ATOM 2449 C CE1 . PHE A 1 309 ? 8.730 -8.742 11.643 1.00 42.56 ? 309 PHE A CE1 1 ATOM 2450 C CE2 . PHE A 1 309 ? 9.812 -10.675 10.690 1.00 43.35 ? 309 PHE A CE2 1 ATOM 2451 C CZ . PHE A 1 309 ? 9.173 -10.058 11.765 1.00 41.93 ? 309 PHE A CZ 1 ATOM 2452 N N . ARG A 1 310 ? 10.986 -5.401 6.177 1.00 46.61 ? 310 ARG A N 1 ATOM 2453 C CA . ARG A 1 310 ? 11.659 -5.050 4.923 1.00 47.79 ? 310 ARG A CA 1 ATOM 2454 C C . ARG A 1 310 ? 12.570 -3.830 5.079 1.00 48.31 ? 310 ARG A C 1 ATOM 2455 O O . ARG A 1 310 ? 13.574 -3.711 4.368 1.00 48.32 ? 310 ARG A O 1 ATOM 2456 C CB . ARG A 1 310 ? 10.616 -4.767 3.829 1.00 47.59 ? 310 ARG A CB 1 ATOM 2457 C CG . ARG A 1 310 ? 11.061 -4.853 2.357 1.00 46.86 ? 310 ARG A CG 1 ATOM 2458 C CD . ARG A 1 310 ? 11.411 -3.509 1.707 1.00 47.00 ? 310 ARG A CD 1 ATOM 2459 N NE . ARG A 1 310 ? 10.728 -2.350 2.276 1.00 47.26 ? 310 ARG A NE 1 ATOM 2460 C CZ . ARG A 1 310 ? 9.632 -1.758 1.795 1.00 46.85 ? 310 ARG A CZ 1 ATOM 2461 N NH1 . ARG A 1 310 ? 9.026 -2.195 0.701 1.00 45.57 ? 310 ARG A NH1 1 ATOM 2462 N NH2 . ARG A 1 310 ? 9.140 -0.692 2.416 1.00 46.49 ? 310 ARG A NH2 1 ATOM 2463 N N . ASP A 1 311 ? 12.224 -2.926 6.000 1.00 47.71 ? 311 ASP A N 1 ATOM 2464 C CA . ASP A 1 311 ? 13.012 -1.706 6.196 1.00 47.21 ? 311 ASP A CA 1 ATOM 2465 C C . ASP A 1 311 ? 13.691 -1.468 7.534 1.00 47.12 ? 311 ASP A C 1 ATOM 2466 O O . ASP A 1 311 ? 14.769 -0.882 7.591 1.00 46.80 ? 311 ASP A O 1 ATOM 2467 C CB . ASP A 1 311 ? 12.153 -0.481 5.916 1.00 47.50 ? 311 ASP A CB 1 ATOM 2468 C CG . ASP A 1 311 ? 11.424 -0.565 4.607 1.00 48.82 ? 311 ASP A CG 1 ATOM 2469 O OD1 . ASP A 1 311 ? 11.990 -1.086 3.633 1.00 52.57 ? 311 ASP A OD1 1 ATOM 2470 O OD2 . ASP A 1 311 ? 10.281 -0.100 4.580 1.00 49.62 ? 311 ASP A OD2 1 ATOM 2471 N N . TYR A 1 312 ? 13.052 -1.905 8.610 1.00 46.97 ? 312 TYR A N 1 ATOM 2472 C CA . TYR A 1 312 ? 13.573 -1.685 9.960 1.00 43.87 ? 312 TYR A CA 1 ATOM 2473 C C . TYR A 1 312 ? 14.514 -2.776 10.498 1.00 42.17 ? 312 TYR A C 1 ATOM 2474 O O . TYR A 1 312 ? 15.620 -2.480 10.996 1.00 43.42 ? 312 TYR A O 1 ATOM 2475 C CB . TYR A 1 312 ? 12.383 -1.519 10.908 1.00 44.87 ? 312 TYR A CB 1 ATOM 2476 C CG . TYR A 1 312 ? 12.755 -1.226 12.336 1.00 43.90 ? 312 TYR A CG 1 ATOM 2477 C CD1 . TYR A 1 312 ? 13.353 -0.025 12.697 1.00 43.70 ? 312 TYR A CD1 1 ATOM 2478 C CD2 . TYR A 1 312 ? 12.490 -2.152 13.331 1.00 42.89 ? 312 TYR A CD2 1 ATOM 2479 C CE1 . TYR A 1 312 ? 13.675 0.240 14.030 1.00 43.01 ? 312 TYR A CE1 1 ATOM 2480 C CE2 . TYR A 1 312 ? 12.807 -1.900 14.653 1.00 41.62 ? 312 TYR A CE2 1 ATOM 2481 C CZ . TYR A 1 312 ? 13.402 -0.705 15.004 1.00 41.80 ? 312 TYR A CZ 1 ATOM 2482 O OH . TYR A 1 312 ? 13.751 -0.478 16.320 1.00 40.84 ? 312 TYR A OH 1 ATOM 2483 N N . LEU A 1 313 ? 14.076 -4.025 10.409 1.00 39.72 ? 313 LEU A N 1 ATOM 2484 C CA . LEU A 1 313 ? 14.875 -5.120 10.925 1.00 38.12 ? 313 LEU A CA 1 ATOM 2485 C C . LEU A 1 313 ? 16.248 -5.275 10.282 1.00 37.67 ? 313 LEU A C 1 ATOM 2486 O O . LEU A 1 313 ? 17.234 -5.575 10.971 1.00 37.60 ? 313 LEU A O 1 ATOM 2487 C CB . LEU A 1 313 ? 14.083 -6.440 10.866 1.00 37.47 ? 313 LEU A CB 1 ATOM 2488 C CG . LEU A 1 313 ? 12.942 -6.469 11.897 1.00 36.06 ? 313 LEU A CG 1 ATOM 2489 C CD1 . LEU A 1 313 ? 12.294 -7.857 11.932 1.00 34.79 ? 313 LEU A CD1 1 ATOM 2490 C CD2 . LEU A 1 313 ? 13.495 -6.116 13.282 1.00 33.07 ? 313 LEU A CD2 1 ATOM 2491 N N . PRO A 1 314 ? 16.343 -5.102 8.954 1.00 37.28 ? 314 PRO A N 1 ATOM 2492 C CA . PRO A 1 314 ? 17.698 -5.258 8.438 1.00 37.44 ? 314 PRO A CA 1 ATOM 2493 C C . PRO A 1 314 ? 18.610 -4.178 9.029 1.00 38.08 ? 314 PRO A C 1 ATOM 2494 O O . PRO A 1 314 ? 19.815 -4.412 9.158 1.00 35.73 ? 314 PRO A O 1 ATOM 2495 C CB . PRO A 1 314 ? 17.516 -5.112 6.940 1.00 36.15 ? 314 PRO A CB 1 ATOM 2496 C CG . PRO A 1 314 ? 16.219 -5.775 6.717 1.00 36.37 ? 314 PRO A CG 1 ATOM 2497 C CD . PRO A 1 314 ? 15.364 -5.204 7.858 1.00 37.85 ? 314 PRO A CD 1 ATOM 2498 N N . ILE A 1 315 ? 18.069 -3.010 9.398 1.00 38.19 ? 315 ILE A N 1 ATOM 2499 C CA . ILE A 1 315 ? 18.962 -2.025 9.983 1.00 38.80 ? 315 ILE A CA 1 ATOM 2500 C C . ILE A 1 315 ? 19.133 -2.099 11.503 1.00 40.44 ? 315 ILE A C 1 ATOM 2501 O O . ILE A 1 315 ? 19.962 -1.356 12.045 1.00 40.83 ? 315 ILE A O 1 ATOM 2502 C CB . ILE A 1 315 ? 18.678 -0.558 9.502 1.00 37.93 ? 315 ILE A CB 1 ATOM 2503 C CG1 . ILE A 1 315 ? 17.403 0.014 10.093 1.00 36.98 ? 315 ILE A CG1 1 ATOM 2504 C CG2 . ILE A 1 315 ? 18.615 -0.531 7.974 1.00 39.65 ? 315 ILE A CG2 1 ATOM 2505 C CD1 . ILE A 1 315 ? 17.389 1.569 10.007 1.00 37.72 ? 315 ILE A CD1 1 ATOM 2506 N N . VAL A 1 316 ? 18.386 -2.971 12.202 1.00 39.94 ? 316 VAL A N 1 ATOM 2507 C CA . VAL A 1 316 ? 18.640 -3.122 13.641 1.00 38.20 ? 316 VAL A CA 1 ATOM 2508 C C . VAL A 1 316 ? 19.569 -4.324 13.681 1.00 37.92 ? 316 VAL A C 1 ATOM 2509 O O . VAL A 1 316 ? 20.655 -4.264 14.262 1.00 37.30 ? 316 VAL A O 1 ATOM 2510 C CB . VAL A 1 316 ? 17.415 -3.521 14.541 1.00 37.90 ? 316 VAL A CB 1 ATOM 2511 C CG1 . VAL A 1 316 ? 17.923 -3.899 15.939 1.00 37.89 ? 316 VAL A CG1 1 ATOM 2512 C CG2 . VAL A 1 316 ? 16.447 -2.354 14.685 1.00 36.54 ? 316 VAL A CG2 1 ATOM 2513 N N . LEU A 1 317 ? 19.124 -5.415 13.056 1.00 39.14 ? 317 LEU A N 1 ATOM 2514 C CA . LEU A 1 317 ? 19.882 -6.658 13.023 1.00 41.77 ? 317 LEU A CA 1 ATOM 2515 C C . LEU A 1 317 ? 21.219 -6.632 12.318 1.00 42.38 ? 317 LEU A C 1 ATOM 2516 O O . LEU A 1 317 ? 22.163 -7.310 12.761 1.00 42.75 ? 317 LEU A O 1 ATOM 2517 C CB . LEU A 1 317 ? 19.033 -7.793 12.446 1.00 41.02 ? 317 LEU A CB 1 ATOM 2518 C CG . LEU A 1 317 ? 18.354 -8.622 13.543 1.00 41.04 ? 317 LEU A CG 1 ATOM 2519 C CD1 . LEU A 1 317 ? 17.956 -7.754 14.712 1.00 37.49 ? 317 LEU A CD1 1 ATOM 2520 C CD2 . LEU A 1 317 ? 17.148 -9.329 12.942 1.00 39.18 ? 317 LEU A CD2 1 ATOM 2521 N N . GLY A 1 318 ? 21.319 -5.874 11.232 1.00 42.60 ? 318 GLY A N 1 ATOM 2522 C CA . GLY A 1 318 ? 22.580 -5.818 10.516 1.00 44.63 ? 318 GLY A CA 1 ATOM 2523 C C . GLY A 1 318 ? 23.030 -7.184 10.029 1.00 45.86 ? 318 GLY A C 1 ATOM 2524 O O . GLY A 1 318 ? 22.206 -7.966 9.585 1.00 46.04 ? 318 GLY A O 1 ATOM 2525 N N . SER A 1 319 ? 24.320 -7.490 10.133 1.00 47.66 ? 319 SER A N 1 ATOM 2526 C CA . SER A 1 319 ? 24.852 -8.774 9.677 1.00 49.58 ? 319 SER A CA 1 ATOM 2527 C C . SER A 1 319 ? 24.077 -9.949 10.249 1.00 51.73 ? 319 SER A C 1 ATOM 2528 O O . SER A 1 319 ? 23.919 -10.952 9.562 1.00 53.27 ? 319 SER A O 1 ATOM 2529 C CB . SER A 1 319 ? 26.337 -8.910 10.065 1.00 50.18 ? 319 SER A CB 1 ATOM 2530 O OG . SER A 1 319 ? 26.484 -9.145 11.462 1.00 51.05 ? 319 SER A OG 1 ATOM 2531 N N . GLU A 1 320 ? 23.616 -9.851 11.500 1.00 52.37 ? 320 GLU A N 1 ATOM 2532 C CA . GLU A 1 320 ? 22.866 -10.960 12.116 1.00 52.20 ? 320 GLU A CA 1 ATOM 2533 C C . GLU A 1 320 ? 21.462 -11.202 11.531 1.00 51.84 ? 320 GLU A C 1 ATOM 2534 O O . GLU A 1 320 ? 20.802 -12.161 11.922 1.00 51.93 ? 320 GLU A O 1 ATOM 2535 C CB . GLU A 1 320 ? 22.684 -10.764 13.638 1.00 53.43 ? 320 GLU A CB 1 ATOM 2536 C CG . GLU A 1 320 ? 23.948 -10.766 14.484 1.00 53.39 ? 320 GLU A CG 1 ATOM 2537 C CD . GLU A 1 320 ? 24.889 -11.927 14.181 1.00 54.44 ? 320 GLU A CD 1 ATOM 2538 O OE1 . GLU A 1 320 ? 24.553 -12.806 13.355 1.00 55.18 ? 320 GLU A OE1 1 ATOM 2539 O OE2 . GLU A 1 320 ? 25.984 -11.959 14.783 1.00 55.70 ? 320 GLU A OE2 1 ATOM 2540 N N . MET A 1 321 ? 20.992 -10.360 10.610 1.00 51.72 ? 321 MET A N 1 ATOM 2541 C CA . MET A 1 321 ? 19.637 -10.506 10.044 1.00 52.48 ? 321 MET A CA 1 ATOM 2542 C C . MET A 1 321 ? 19.264 -11.812 9.296 1.00 54.09 ? 321 MET A C 1 ATOM 2543 O O . MET A 1 321 ? 18.188 -12.352 9.538 1.00 54.81 ? 321 MET A O 1 ATOM 2544 C CB . MET A 1 321 ? 19.294 -9.282 9.175 1.00 50.08 ? 321 MET A CB 1 ATOM 2545 C CG . MET A 1 321 ? 17.982 -9.405 8.392 1.00 50.27 ? 321 MET A CG 1 ATOM 2546 S SD . MET A 1 321 ? 16.418 -9.513 9.284 1.00 48.78 ? 321 MET A SD 1 ATOM 2547 C CE . MET A 1 321 ? 15.225 -8.900 8.014 1.00 49.41 ? 321 MET A CE 1 ATOM 2548 N N . GLN A 1 322 ? 20.103 -12.325 8.390 1.00 56.28 ? 322 GLN A N 1 ATOM 2549 C CA . GLN A 1 322 ? 19.757 -13.583 7.690 1.00 57.56 ? 322 GLN A CA 1 ATOM 2550 C C . GLN A 1 322 ? 19.877 -14.820 8.604 1.00 56.99 ? 322 GLN A C 1 ATOM 2551 O O . GLN A 1 322 ? 19.064 -15.741 8.533 1.00 56.56 ? 322 GLN A O 1 ATOM 2552 C CB . GLN A 1 322 ? 20.630 -13.794 6.428 1.00 59.93 ? 322 GLN A CB 1 ATOM 2553 C CG . GLN A 1 322 ? 20.072 -13.143 5.146 1.00 61.96 ? 322 GLN A CG 1 ATOM 2554 C CD . GLN A 1 322 ? 20.463 -13.883 3.856 1.00 64.66 ? 322 GLN A CD 1 ATOM 2555 O OE1 . GLN A 1 322 ? 21.385 -13.471 3.127 1.00 65.48 ? 322 GLN A OE1 1 ATOM 2556 N NE2 . GLN A 1 322 ? 19.760 -14.990 3.576 1.00 64.18 ? 322 GLN A NE2 1 ATOM 2557 N N . LYS A 1 323 ? 20.890 -14.806 9.470 1.00 56.97 ? 323 LYS A N 1 ATOM 2558 C CA . LYS A 1 323 ? 21.190 -15.889 10.417 1.00 55.95 ? 323 LYS A CA 1 ATOM 2559 C C . LYS A 1 323 ? 20.012 -16.322 11.303 1.00 54.81 ? 323 LYS A C 1 ATOM 2560 O O . LYS A 1 323 ? 19.998 -17.443 11.828 1.00 53.82 ? 323 LYS A O 1 ATOM 2561 C CB . LYS A 1 323 ? 22.372 -15.469 11.302 1.00 56.74 ? 323 LYS A CB 1 ATOM 2562 C CG . LYS A 1 323 ? 23.146 -16.615 11.918 1.00 58.31 ? 323 LYS A CG 1 ATOM 2563 C CD . LYS A 1 323 ? 24.374 -16.121 12.664 1.00 58.38 ? 323 LYS A CD 1 ATOM 2564 C CE . LYS A 1 323 ? 24.079 -15.895 14.138 1.00 59.05 ? 323 LYS A CE 1 ATOM 2565 N NZ . LYS A 1 323 ? 23.609 -17.153 14.786 1.00 58.49 ? 323 LYS A NZ 1 ATOM 2566 N N . TRP A 1 324 ? 19.029 -15.435 11.472 1.00 53.42 ? 324 TRP A N 1 ATOM 2567 C CA . TRP A 1 324 ? 17.844 -15.739 12.277 1.00 51.07 ? 324 TRP A CA 1 ATOM 2568 C C . TRP A 1 324 ? 16.556 -15.523 11.526 1.00 50.03 ? 324 TRP A C 1 ATOM 2569 O O . TRP A 1 324 ? 15.521 -16.096 11.872 1.00 50.71 ? 324 TRP A O 1 ATOM 2570 C CB . TRP A 1 324 ? 17.809 -14.893 13.546 1.00 50.44 ? 324 TRP A CB 1 ATOM 2571 C CG . TRP A 1 324 ? 19.049 -14.960 14.329 1.00 49.77 ? 324 TRP A CG 1 ATOM 2572 C CD1 . TRP A 1 324 ? 20.105 -14.100 14.273 1.00 49.74 ? 324 TRP A CD1 1 ATOM 2573 C CD2 . TRP A 1 324 ? 19.367 -15.928 15.324 1.00 49.58 ? 324 TRP A CD2 1 ATOM 2574 N NE1 . TRP A 1 324 ? 21.061 -14.469 15.186 1.00 49.15 ? 324 TRP A NE1 1 ATOM 2575 C CE2 . TRP A 1 324 ? 20.630 -15.589 15.847 1.00 49.28 ? 324 TRP A CE2 1 ATOM 2576 C CE3 . TRP A 1 324 ? 18.706 -17.053 15.828 1.00 50.76 ? 324 TRP A CE3 1 ATOM 2577 C CZ2 . TRP A 1 324 ? 21.244 -16.333 16.858 1.00 49.00 ? 324 TRP A CZ2 1 ATOM 2578 C CZ3 . TRP A 1 324 ? 19.324 -17.798 16.836 1.00 50.42 ? 324 TRP A CZ3 1 ATOM 2579 C CH2 . TRP A 1 324 ? 20.574 -17.430 17.337 1.00 50.44 ? 324 TRP A CH2 1 ATOM 2580 N N . ILE A 1 325 ? 16.602 -14.675 10.510 1.00 49.41 ? 325 ILE A N 1 ATOM 2581 C CA . ILE A 1 325 ? 15.399 -14.441 9.743 1.00 48.78 ? 325 ILE A CA 1 ATOM 2582 C C . ILE A 1 325 ? 15.661 -14.704 8.275 1.00 49.34 ? 325 ILE A C 1 ATOM 2583 O O . ILE A 1 325 ? 15.561 -13.787 7.449 1.00 48.84 ? 325 ILE A O 1 ATOM 2584 C CB . ILE A 1 325 ? 14.858 -12.988 9.931 1.00 48.83 ? 325 ILE A CB 1 ATOM 2585 C CG1 . ILE A 1 325 ? 14.992 -12.565 11.394 1.00 46.84 ? 325 ILE A CG1 1 ATOM 2586 C CG2 . ILE A 1 325 ? 13.376 -12.974 9.589 1.00 47.30 ? 325 ILE A CG2 1 ATOM 2587 C CD1 . ILE A 1 325 ? 14.693 -11.082 11.650 1.00 45.97 ? 325 ILE A CD1 1 ATOM 2588 N N . PRO A 1 326 ? 16.053 -15.937 7.951 1.00 50.24 ? 326 PRO A N 1 ATOM 2589 C CA . PRO A 1 326 ? 16.297 -16.263 6.551 1.00 50.44 ? 326 PRO A CA 1 ATOM 2590 C C . PRO A 1 326 ? 14.951 -15.956 5.897 1.00 50.25 ? 326 PRO A C 1 ATOM 2591 O O . PRO A 1 326 ? 13.919 -16.023 6.562 1.00 51.33 ? 326 PRO A O 1 ATOM 2592 C CB . PRO A 1 326 ? 16.644 -17.765 6.614 1.00 50.76 ? 326 PRO A CB 1 ATOM 2593 C CG . PRO A 1 326 ? 16.022 -18.236 7.904 1.00 49.14 ? 326 PRO A CG 1 ATOM 2594 C CD . PRO A 1 326 ? 16.303 -17.101 8.825 1.00 50.23 ? 326 PRO A CD 1 ATOM 2595 N N . PRO A 1 327 ? 14.924 -15.657 4.600 1.00 49.61 ? 327 PRO A N 1 ATOM 2596 C CA . PRO A 1 327 ? 13.601 -15.346 4.037 1.00 49.09 ? 327 PRO A CA 1 ATOM 2597 C C . PRO A 1 327 ? 12.420 -16.320 4.180 1.00 48.64 ? 327 PRO A C 1 ATOM 2598 O O . PRO A 1 327 ? 12.578 -17.511 4.420 1.00 48.22 ? 327 PRO A O 1 ATOM 2599 C CB . PRO A 1 327 ? 13.906 -15.028 2.554 1.00 48.71 ? 327 PRO A CB 1 ATOM 2600 C CG . PRO A 1 327 ? 15.432 -14.955 2.480 1.00 49.45 ? 327 PRO A CG 1 ATOM 2601 C CD . PRO A 1 327 ? 15.891 -15.920 3.533 1.00 49.54 ? 327 PRO A CD 1 ATOM 2602 N N . TYR A 1 328 ? 11.243 -15.758 3.919 1.00 49.11 ? 328 TYR A N 1 ATOM 2603 C CA . TYR A 1 328 ? 9.951 -16.416 3.998 1.00 49.26 ? 328 TYR A CA 1 ATOM 2604 C C . TYR A 1 328 ? 9.666 -17.720 3.227 1.00 51.15 ? 328 TYR A C 1 ATOM 2605 O O . TYR A 1 328 ? 9.714 -17.754 1.986 1.00 51.26 ? 328 TYR A O 1 ATOM 2606 C CB . TYR A 1 328 ? 8.876 -15.386 3.655 1.00 46.13 ? 328 TYR A CB 1 ATOM 2607 C CG . TYR A 1 328 ? 7.532 -15.724 4.226 1.00 44.83 ? 328 TYR A CG 1 ATOM 2608 C CD1 . TYR A 1 328 ? 7.432 -16.300 5.484 1.00 44.02 ? 328 TYR A CD1 1 ATOM 2609 C CD2 . TYR A 1 328 ? 6.365 -15.489 3.511 1.00 43.79 ? 328 TYR A CD2 1 ATOM 2610 C CE1 . TYR A 1 328 ? 6.216 -16.648 6.017 1.00 42.82 ? 328 TYR A CE1 1 ATOM 2611 C CE2 . TYR A 1 328 ? 5.131 -15.829 4.029 1.00 42.29 ? 328 TYR A CE2 1 ATOM 2612 C CZ . TYR A 1 328 ? 5.058 -16.417 5.286 1.00 43.28 ? 328 TYR A CZ 1 ATOM 2613 O OH . TYR A 1 328 ? 3.840 -16.813 5.798 1.00 40.65 ? 328 TYR A OH 1 ATOM 2614 N N . GLN A 1 329 ? 9.354 -18.783 3.984 1.00 52.94 ? 329 GLN A N 1 ATOM 2615 C CA . GLN A 1 329 ? 8.999 -20.099 3.428 1.00 52.97 ? 329 GLN A CA 1 ATOM 2616 C C . GLN A 1 329 ? 7.548 -20.400 3.740 1.00 52.89 ? 329 GLN A C 1 ATOM 2617 O O . GLN A 1 329 ? 7.081 -21.516 3.501 1.00 53.52 ? 329 GLN A O 1 ATOM 2618 C CB . GLN A 1 329 ? 9.768 -21.261 4.053 1.00 55.09 ? 329 GLN A CB 1 ATOM 2619 C CG . GLN A 1 329 ? 11.024 -20.956 4.818 1.00 57.34 ? 329 GLN A CG 1 ATOM 2620 C CD . GLN A 1 329 ? 12.239 -21.300 4.016 1.00 59.32 ? 329 GLN A CD 1 ATOM 2621 O OE1 . GLN A 1 329 ? 12.547 -20.634 3.027 1.00 59.89 ? 329 GLN A OE1 1 ATOM 2622 N NE2 . GLN A 1 329 ? 12.933 -22.362 4.418 1.00 60.02 ? 329 GLN A NE2 1 ATOM 2623 N N . GLY A 1 330 ? 6.840 -19.439 4.316 1.00 52.32 ? 330 GLY A N 1 ATOM 2624 C CA . GLY A 1 330 ? 5.442 -19.678 4.621 1.00 49.81 ? 330 GLY A CA 1 ATOM 2625 C C . GLY A 1 330 ? 5.219 -20.108 6.046 1.00 48.32 ? 330 GLY A C 1 ATOM 2626 O O . GLY A 1 330 ? 6.168 -20.365 6.768 1.00 46.67 ? 330 GLY A O 1 ATOM 2627 N N . TYR A 1 331 ? 3.953 -20.202 6.425 1.00 48.79 ? 331 TYR A N 1 ATOM 2628 C CA . TYR A 1 331 ? 3.499 -20.563 7.766 1.00 48.84 ? 331 TYR A CA 1 ATOM 2629 C C . TYR A 1 331 ? 3.831 -21.984 8.282 1.00 50.54 ? 331 TYR A C 1 ATOM 2630 O O . TYR A 1 331 ? 3.340 -22.956 7.736 1.00 49.89 ? 331 TYR A O 1 ATOM 2631 C CB . TYR A 1 331 ? 1.974 -20.311 7.808 1.00 47.34 ? 331 TYR A CB 1 ATOM 2632 C CG . TYR A 1 331 ? 1.248 -20.605 9.117 1.00 47.79 ? 331 TYR A CG 1 ATOM 2633 C CD1 . TYR A 1 331 ? 1.776 -20.213 10.345 1.00 47.05 ? 331 TYR A CD1 1 ATOM 2634 C CD2 . TYR A 1 331 ? -0.003 -21.241 9.112 1.00 46.42 ? 331 TYR A CD2 1 ATOM 2635 C CE1 . TYR A 1 331 ? 1.081 -20.448 11.530 1.00 46.39 ? 331 TYR A CE1 1 ATOM 2636 C CE2 . TYR A 1 331 ? -0.708 -21.479 10.293 1.00 45.03 ? 331 TYR A CE2 1 ATOM 2637 C CZ . TYR A 1 331 ? -0.159 -21.081 11.502 1.00 45.96 ? 331 TYR A CZ 1 ATOM 2638 O OH . TYR A 1 331 ? -0.828 -21.324 12.688 1.00 44.14 ? 331 TYR A OH 1 ATOM 2639 N N . ASN A 1 332 ? 4.701 -22.110 9.294 1.00 53.65 ? 332 ASN A N 1 ATOM 2640 C CA . ASN A 1 332 ? 5.041 -23.401 9.932 1.00 56.34 ? 332 ASN A CA 1 ATOM 2641 C C . ASN A 1 332 ? 4.028 -23.272 11.038 1.00 56.32 ? 332 ASN A C 1 ATOM 2642 O O . ASN A 1 332 ? 3.898 -22.179 11.565 1.00 56.90 ? 332 ASN A O 1 ATOM 2643 C CB . ASN A 1 332 ? 6.451 -23.373 10.555 1.00 59.73 ? 332 ASN A CB 1 ATOM 2644 C CG . ASN A 1 332 ? 6.744 -24.572 11.529 1.00 63.90 ? 332 ASN A CG 1 ATOM 2645 O OD1 . ASN A 1 332 ? 5.872 -25.251 12.062 1.00 64.88 ? 332 ASN A OD1 1 ATOM 2646 N ND2 . ASN A 1 332 ? 8.039 -24.740 11.810 1.00 66.61 ? 332 ASN A ND2 1 ATOM 2647 N N . ASN A 1 333 ? 3.273 -24.298 11.402 1.00 56.26 ? 333 ASN A N 1 ATOM 2648 C CA . ASN A 1 333 ? 2.367 -24.014 12.496 1.00 55.46 ? 333 ASN A CA 1 ATOM 2649 C C . ASN A 1 333 ? 2.774 -24.636 13.835 1.00 53.83 ? 333 ASN A C 1 ATOM 2650 O O . ASN A 1 333 ? 2.016 -24.635 14.798 1.00 54.53 ? 333 ASN A O 1 ATOM 2651 C CB . ASN A 1 333 ? 0.895 -24.275 12.089 1.00 55.67 ? 333 ASN A CB 1 ATOM 2652 C CG . ASN A 1 333 ? 0.385 -25.633 12.477 1.00 56.17 ? 333 ASN A CG 1 ATOM 2653 O OD1 . ASN A 1 333 ? 0.298 -26.544 11.646 1.00 56.63 ? 333 ASN A OD1 1 ATOM 2654 N ND2 . ASN A 1 333 ? 0.011 -25.777 13.744 1.00 56.64 ? 333 ASN A ND2 1 ATOM 2655 N N . SER A 1 334 ? 4.009 -25.121 13.892 1.00 52.19 ? 334 SER A N 1 ATOM 2656 C CA . SER A 1 334 ? 4.571 -25.673 15.117 1.00 51.00 ? 334 SER A CA 1 ATOM 2657 C C . SER A 1 334 ? 5.293 -24.513 15.792 1.00 50.28 ? 334 SER A C 1 ATOM 2658 O O . SER A 1 334 ? 5.546 -24.537 16.998 1.00 52.65 ? 334 SER A O 1 ATOM 2659 C CB . SER A 1 334 ? 5.579 -26.784 14.810 1.00 50.74 ? 334 SER A CB 1 ATOM 2660 O OG . SER A 1 334 ? 4.935 -27.991 14.424 1.00 50.64 ? 334 SER A OG 1 ATOM 2661 N N . VAL A 1 335 ? 5.607 -23.488 15.005 1.00 48.80 ? 335 VAL A N 1 ATOM 2662 C CA . VAL A 1 335 ? 6.298 -22.319 15.527 1.00 47.31 ? 335 VAL A CA 1 ATOM 2663 C C . VAL A 1 335 ? 5.513 -21.659 16.640 1.00 45.81 ? 335 VAL A C 1 ATOM 2664 O O . VAL A 1 335 ? 4.315 -21.433 16.518 1.00 47.03 ? 335 VAL A O 1 ATOM 2665 C CB . VAL A 1 335 ? 6.545 -21.259 14.440 1.00 46.53 ? 335 VAL A CB 1 ATOM 2666 C CG1 . VAL A 1 335 ? 6.844 -19.916 15.090 1.00 45.94 ? 335 VAL A CG1 1 ATOM 2667 C CG2 . VAL A 1 335 ? 7.710 -21.676 13.571 1.00 45.76 ? 335 VAL A CG2 1 ATOM 2668 N N . ASP A 1 336 ? 6.190 -21.226 17.703 1.00 43.36 ? 336 ASP A N 1 ATOM 2669 C CA . ASP A 1 336 ? 5.553 -20.479 18.838 1.00 41.04 ? 336 ASP A CA 1 ATOM 2670 C C . ASP A 1 336 ? 5.282 -18.910 18.552 1.00 41.56 ? 336 ASP A C 1 ATOM 2671 O O . ASP A 1 336 ? 6.198 -18.206 18.142 1.00 40.07 ? 336 ASP A O 1 ATOM 2672 C CB . ASP A 1 336 ? 6.403 -20.653 20.102 1.00 39.48 ? 336 ASP A CB 1 ATOM 2673 C CG . ASP A 1 336 ? 5.621 -20.273 21.325 1.00 37.83 ? 336 ASP A CG 1 ATOM 2674 O OD1 . ASP A 1 336 ? 4.555 -19.639 21.140 1.00 37.84 ? 336 ASP A OD1 1 ATOM 2675 O OD2 . ASP A 1 336 ? 6.043 -20.609 22.448 1.00 35.37 ? 336 ASP A OD2 1 ATOM 2676 N N . PRO A 1 337 ? 4.019 -18.388 18.743 1.00 42.84 ? 337 PRO A N 1 ATOM 2677 C CA . PRO A 1 337 ? 3.560 -16.925 18.560 1.00 42.38 ? 337 PRO A CA 1 ATOM 2678 C C . PRO A 1 337 ? 3.930 -15.979 19.662 1.00 43.17 ? 337 PRO A C 1 ATOM 2679 O O . PRO A 1 337 ? 4.122 -14.777 19.476 1.00 42.82 ? 337 PRO A O 1 ATOM 2680 C CB . PRO A 1 337 ? 2.071 -17.049 18.377 1.00 41.29 ? 337 PRO A CB 1 ATOM 2681 C CG . PRO A 1 337 ? 1.958 -18.312 17.589 1.00 41.05 ? 337 PRO A CG 1 ATOM 2682 C CD . PRO A 1 337 ? 3.190 -19.148 17.820 1.00 41.60 ? 337 PRO A CD 1 ATOM 2683 N N . ARG A 1 338 ? 4.003 -16.609 20.795 1.00 42.08 ? 338 ARG A N 1 ATOM 2684 C CA . ARG A 1 338 ? 4.235 -15.984 22.033 1.00 41.02 ? 338 ARG A CA 1 ATOM 2685 C C . ARG A 1 338 ? 5.560 -15.235 22.162 1.00 40.53 ? 338 ARG A C 1 ATOM 2686 O O . ARG A 1 338 ? 6.630 -15.821 22.084 1.00 38.79 ? 338 ARG A O 1 ATOM 2687 C CB . ARG A 1 338 ? 4.127 -17.021 23.154 1.00 41.83 ? 338 ARG A CB 1 ATOM 2688 C CG . ARG A 1 338 ? 2.832 -17.816 23.240 1.00 41.23 ? 338 ARG A CG 1 ATOM 2689 C CD . ARG A 1 338 ? 2.784 -18.625 24.558 1.00 40.57 ? 338 ARG A CD 1 ATOM 2690 N NE . ARG A 1 338 ? 3.534 -19.889 24.482 1.00 42.21 ? 338 ARG A NE 1 ATOM 2691 C CZ . ARG A 1 338 ? 3.926 -20.673 25.495 1.00 42.91 ? 338 ARG A CZ 1 ATOM 2692 N NH1 . ARG A 1 338 ? 3.666 -20.340 26.753 1.00 42.18 ? 338 ARG A NH1 1 ATOM 2693 N NH2 . ARG A 1 338 ? 4.568 -21.800 25.243 1.00 40.39 ? 338 ARG A NH2 1 ATOM 2694 N N . ILE A 1 339 ? 5.430 -13.906 22.369 1.00 37.42 ? 339 ILE A N 1 ATOM 2695 C CA . ILE A 1 339 ? 6.530 -13.031 22.709 1.00 33.94 ? 339 ILE A CA 1 ATOM 2696 C C . ILE A 1 339 ? 7.095 -13.605 23.984 1.00 34.56 ? 339 ILE A C 1 ATOM 2697 O O . ILE A 1 339 ? 6.374 -13.969 24.896 1.00 34.23 ? 339 ILE A O 1 ATOM 2698 C CB . ILE A 1 339 ? 6.069 -11.590 23.036 1.00 32.64 ? 339 ILE A CB 1 ATOM 2699 C CG1 . ILE A 1 339 ? 5.625 -10.858 21.761 1.00 33.68 ? 339 ILE A CG1 1 ATOM 2700 C CG2 . ILE A 1 339 ? 7.186 -10.832 23.748 1.00 32.45 ? 339 ILE A CG2 1 ATOM 2701 C CD1 . ILE A 1 339 ? 6.392 -11.255 20.522 1.00 32.30 ? 339 ILE A CD1 1 ATOM 2702 N N . SER A 1 340 ? 8.361 -13.676 24.019 1.00 33.94 ? 340 SER A N 1 ATOM 2703 C CA . SER A 1 340 ? 9.057 -14.212 25.187 1.00 34.11 ? 340 SER A CA 1 ATOM 2704 C C . SER A 1 340 ? 9.293 -13.105 26.204 1.00 32.86 ? 340 SER A C 1 ATOM 2705 O O . SER A 1 340 ? 9.404 -11.930 25.852 1.00 33.68 ? 340 SER A O 1 ATOM 2706 C CB . SER A 1 340 ? 10.398 -14.836 24.801 1.00 35.16 ? 340 SER A CB 1 ATOM 2707 O OG . SER A 1 340 ? 11.443 -13.894 24.886 1.00 36.01 ? 340 SER A OG 1 ATOM 2708 N N . ASN A 1 341 ? 9.385 -13.489 27.469 1.00 32.90 ? 341 ASN A N 1 ATOM 2709 C CA . ASN A 1 341 ? 9.591 -12.520 28.526 1.00 32.21 ? 341 ASN A CA 1 ATOM 2710 C C . ASN A 1 341 ? 10.873 -11.717 28.322 1.00 32.27 ? 341 ASN A C 1 ATOM 2711 O O . ASN A 1 341 ? 10.843 -10.499 28.405 1.00 32.48 ? 341 ASN A O 1 ATOM 2712 C CB . ASN A 1 341 ? 9.601 -13.213 29.896 1.00 31.00 ? 341 ASN A CB 1 ATOM 2713 C CG . ASN A 1 341 ? 9.142 -12.290 30.995 1.00 34.24 ? 341 ASN A CG 1 ATOM 2714 O OD1 . ASN A 1 341 ? 9.461 -11.102 30.961 1.00 35.28 ? 341 ASN A OD1 1 ATOM 2715 N ND2 . ASN A 1 341 ? 8.365 -12.806 31.954 1.00 33.99 ? 341 ASN A ND2 1 ATOM 2716 N N . VAL A 1 342 ? 11.993 -12.379 28.037 1.00 31.12 ? 342 VAL A N 1 ATOM 2717 C CA . VAL A 1 342 ? 13.250 -11.661 27.847 1.00 29.83 ? 342 VAL A CA 1 ATOM 2718 C C . VAL A 1 342 ? 13.248 -10.682 26.646 1.00 31.12 ? 342 VAL A C 1 ATOM 2719 O O . VAL A 1 342 ? 14.006 -9.705 26.640 1.00 32.03 ? 342 VAL A O 1 ATOM 2720 C CB . VAL A 1 342 ? 14.435 -12.671 27.781 1.00 29.47 ? 342 VAL A CB 1 ATOM 2721 C CG1 . VAL A 1 342 ? 14.111 -13.804 26.814 1.00 29.58 ? 342 VAL A CG1 1 ATOM 2722 C CG2 . VAL A 1 342 ? 15.711 -11.954 27.377 1.00 29.01 ? 342 VAL A CG2 1 ATOM 2723 N N . PHE A 1 343 ? 12.379 -10.924 25.659 1.00 30.86 ? 343 PHE A N 1 ATOM 2724 C CA . PHE A 1 343 ? 12.264 -10.060 24.469 1.00 30.38 ? 343 PHE A CA 1 ATOM 2725 C C . PHE A 1 343 ? 11.814 -8.700 24.946 1.00 30.06 ? 343 PHE A C 1 ATOM 2726 O O . PHE A 1 343 ? 12.321 -7.654 24.510 1.00 28.83 ? 343 PHE A O 1 ATOM 2727 C CB . PHE A 1 343 ? 11.199 -10.581 23.504 1.00 30.64 ? 343 PHE A CB 1 ATOM 2728 C CG . PHE A 1 343 ? 11.042 -9.755 22.254 1.00 29.99 ? 343 PHE A CG 1 ATOM 2729 C CD1 . PHE A 1 343 ? 12.039 -9.762 21.283 1.00 28.83 ? 343 PHE A CD1 1 ATOM 2730 C CD2 . PHE A 1 343 ? 9.865 -9.038 22.014 1.00 28.66 ? 343 PHE A CD2 1 ATOM 2731 C CE1 . PHE A 1 343 ? 11.876 -9.086 20.090 1.00 27.60 ? 343 PHE A CE1 1 ATOM 2732 C CE2 . PHE A 1 343 ? 9.688 -8.353 20.823 1.00 27.19 ? 343 PHE A CE2 1 ATOM 2733 C CZ . PHE A 1 343 ? 10.698 -8.384 19.857 1.00 26.59 ? 343 PHE A CZ 1 ATOM 2734 N N . THR A 1 344 ? 10.853 -8.728 25.855 1.00 29.72 ? 344 THR A N 1 ATOM 2735 C CA . THR A 1 344 ? 10.354 -7.486 26.387 1.00 31.09 ? 344 THR A CA 1 ATOM 2736 C C . THR A 1 344 ? 11.493 -6.679 27.004 1.00 31.40 ? 344 THR A C 1 ATOM 2737 O O . THR A 1 344 ? 11.394 -5.465 27.081 1.00 33.54 ? 344 THR A O 1 ATOM 2738 C CB . THR A 1 344 ? 9.199 -7.695 27.408 1.00 30.46 ? 344 THR A CB 1 ATOM 2739 O OG1 . THR A 1 344 ? 9.719 -7.947 28.727 1.00 32.77 ? 344 THR A OG1 1 ATOM 2740 C CG2 . THR A 1 344 ? 8.316 -8.858 26.936 1.00 28.26 ? 344 THR A CG2 1 ATOM 2741 N N . PHE A 1 345 ? 12.574 -7.329 27.431 1.00 30.45 ? 345 PHE A N 1 ATOM 2742 C CA . PHE A 1 345 ? 13.691 -6.573 27.994 1.00 29.98 ? 345 PHE A CA 1 ATOM 2743 C C . PHE A 1 345 ? 14.736 -6.303 26.931 1.00 28.63 ? 345 PHE A C 1 ATOM 2744 O O . PHE A 1 345 ? 15.397 -5.297 26.950 1.00 29.19 ? 345 PHE A O 1 ATOM 2745 C CB . PHE A 1 345 ? 14.347 -7.306 29.170 1.00 32.05 ? 345 PHE A CB 1 ATOM 2746 C CG . PHE A 1 345 ? 13.423 -7.535 30.330 1.00 35.94 ? 345 PHE A CG 1 ATOM 2747 C CD1 . PHE A 1 345 ? 12.575 -8.631 30.350 1.00 34.98 ? 345 PHE A CD1 1 ATOM 2748 C CD2 . PHE A 1 345 ? 13.388 -6.642 31.401 1.00 38.38 ? 345 PHE A CD2 1 ATOM 2749 C CE1 . PHE A 1 345 ? 11.701 -8.837 31.404 1.00 35.85 ? 345 PHE A CE1 1 ATOM 2750 C CE2 . PHE A 1 345 ? 12.510 -6.845 32.467 1.00 38.76 ? 345 PHE A CE2 1 ATOM 2751 C CZ . PHE A 1 345 ? 11.673 -7.944 32.461 1.00 36.89 ? 345 PHE A CZ 1 ATOM 2752 N N . ALA A 1 346 ? 14.887 -7.223 25.996 1.00 29.63 ? 346 ALA A N 1 ATOM 2753 C CA . ALA A 1 346 ? 15.857 -7.090 24.920 1.00 29.34 ? 346 ALA A CA 1 ATOM 2754 C C . ALA A 1 346 ? 15.470 -5.958 23.974 1.00 29.70 ? 346 ALA A C 1 ATOM 2755 O O . ALA A 1 346 ? 16.325 -5.267 23.456 1.00 31.41 ? 346 ALA A O 1 ATOM 2756 C CB . ALA A 1 346 ? 15.940 -8.424 24.146 1.00 29.63 ? 346 ALA A CB 1 ATOM 2757 N N . PHE A 1 347 ? 14.179 -5.765 23.757 1.00 31.42 ? 347 PHE A N 1 ATOM 2758 C CA . PHE A 1 347 ? 13.734 -4.740 22.834 1.00 32.46 ? 347 PHE A CA 1 ATOM 2759 C C . PHE A 1 347 ? 13.927 -3.310 23.347 1.00 32.49 ? 347 PHE A C 1 ATOM 2760 O O . PHE A 1 347 ? 13.829 -2.357 22.580 1.00 33.88 ? 347 PHE A O 1 ATOM 2761 C CB . PHE A 1 347 ? 12.266 -4.986 22.472 1.00 30.93 ? 347 PHE A CB 1 ATOM 2762 C CG . PHE A 1 347 ? 11.854 -4.367 21.165 1.00 31.36 ? 347 PHE A CG 1 ATOM 2763 C CD1 . PHE A 1 347 ? 12.744 -3.570 20.453 1.00 33.12 ? 347 PHE A CD1 1 ATOM 2764 C CD2 . PHE A 1 347 ? 10.587 -4.577 20.646 1.00 28.27 ? 347 PHE A CD2 1 ATOM 2765 C CE1 . PHE A 1 347 ? 12.386 -2.980 19.240 1.00 33.24 ? 347 PHE A CE1 1 ATOM 2766 C CE2 . PHE A 1 347 ? 10.211 -4.002 19.436 1.00 31.44 ? 347 PHE A CE2 1 ATOM 2767 C CZ . PHE A 1 347 ? 11.113 -3.195 18.734 1.00 32.68 ? 347 PHE A CZ 1 ATOM 2768 N N . ARG A 1 348 ? 14.199 -3.162 24.638 1.00 31.62 ? 348 ARG A N 1 ATOM 2769 C CA . ARG A 1 348 ? 14.393 -1.841 25.233 1.00 30.44 ? 348 ARG A CA 1 ATOM 2770 C C . ARG A 1 348 ? 15.792 -1.316 24.945 1.00 30.91 ? 348 ARG A C 1 ATOM 2771 O O . ARG A 1 348 ? 16.316 -0.486 25.696 1.00 31.69 ? 348 ARG A O 1 ATOM 2772 C CB . ARG A 1 348 ? 14.222 -1.877 26.753 1.00 30.44 ? 348 ARG A CB 1 ATOM 2773 C CG . ARG A 1 348 ? 12.950 -2.484 27.231 1.00 28.63 ? 348 ARG A CG 1 ATOM 2774 C CD . ARG A 1 348 ? 12.976 -2.705 28.723 1.00 29.50 ? 348 ARG A CD 1 ATOM 2775 N NE . ARG A 1 348 ? 11.817 -3.480 29.133 1.00 27.56 ? 348 ARG A NE 1 ATOM 2776 C CZ . ARG A 1 348 ? 11.085 -3.228 30.213 1.00 29.38 ? 348 ARG A CZ 1 ATOM 2777 N NH1 . ARG A 1 348 ? 11.374 -2.216 31.021 1.00 30.70 ? 348 ARG A NH1 1 ATOM 2778 N NH2 . ARG A 1 348 ? 10.035 -3.976 30.476 1.00 29.06 ? 348 ARG A NH2 1 ATOM 2779 N N . PHE A 1 349 ? 16.425 -1.833 23.897 1.00 30.26 ? 349 PHE A N 1 ATOM 2780 C CA . PHE A 1 349 ? 17.741 -1.335 23.537 1.00 28.44 ? 349 PHE A CA 1 ATOM 2781 C C . PHE A 1 349 ? 17.414 0.072 23.071 1.00 28.57 ? 349 PHE A C 1 ATOM 2782 O O . PHE A 1 349 ? 18.209 0.999 23.197 1.00 29.06 ? 349 PHE A O 1 ATOM 2783 C CB . PHE A 1 349 ? 18.367 -2.169 22.407 1.00 28.73 ? 349 PHE A CB 1 ATOM 2784 C CG . PHE A 1 349 ? 17.651 -2.067 21.077 1.00 28.65 ? 349 PHE A CG 1 ATOM 2785 C CD1 . PHE A 1 349 ? 17.814 -0.951 20.254 1.00 26.10 ? 349 PHE A CD1 1 ATOM 2786 C CD2 . PHE A 1 349 ? 16.801 -3.087 20.659 1.00 27.61 ? 349 PHE A CD2 1 ATOM 2787 C CE1 . PHE A 1 349 ? 17.123 -0.862 19.032 1.00 27.84 ? 349 PHE A CE1 1 ATOM 2788 C CE2 . PHE A 1 349 ? 16.114 -3.005 19.437 1.00 27.34 ? 349 PHE A CE2 1 ATOM 2789 C CZ . PHE A 1 349 ? 16.274 -1.894 18.630 1.00 23.24 ? 349 PHE A CZ 1 ATOM 2790 N N . GLY A 1 350 ? 16.196 0.221 22.565 1.00 28.06 ? 350 GLY A N 1 ATOM 2791 C CA . GLY A 1 350 ? 15.736 1.503 22.081 1.00 30.44 ? 350 GLY A CA 1 ATOM 2792 C C . GLY A 1 350 ? 15.912 2.635 23.070 1.00 31.47 ? 350 GLY A C 1 ATOM 2793 O O . GLY A 1 350 ? 15.985 3.805 22.671 1.00 31.92 ? 350 GLY A O 1 ATOM 2794 N N . HIS A 1 351 ? 15.954 2.318 24.362 1.00 32.07 ? 351 HIS A N 1 ATOM 2795 C CA . HIS A 1 351 ? 16.120 3.380 25.342 1.00 32.33 ? 351 HIS A CA 1 ATOM 2796 C C . HIS A 1 351 ? 17.433 4.150 25.159 1.00 32.65 ? 351 HIS A C 1 ATOM 2797 O O . HIS A 1 351 ? 17.503 5.337 25.468 1.00 34.25 ? 351 HIS A O 1 ATOM 2798 C CB . HIS A 1 351 ? 15.972 2.818 26.747 1.00 29.63 ? 351 HIS A CB 1 ATOM 2799 C CG . HIS A 1 351 ? 14.577 2.372 27.064 1.00 30.38 ? 351 HIS A CG 1 ATOM 2800 N ND1 . HIS A 1 351 ? 14.293 1.424 28.026 1.00 28.38 ? 351 HIS A ND1 1 ATOM 2801 C CD2 . HIS A 1 351 ? 13.390 2.706 26.502 1.00 29.10 ? 351 HIS A CD2 1 ATOM 2802 C CE1 . HIS A 1 351 ? 12.994 1.186 28.033 1.00 27.06 ? 351 HIS A CE1 1 ATOM 2803 N NE2 . HIS A 1 351 ? 12.424 1.950 27.117 1.00 26.19 ? 351 HIS A NE2 1 ATOM 2804 N N . MET A 1 352 ? 18.439 3.502 24.583 1.00 32.02 ? 352 MET A N 1 ATOM 2805 C CA . MET A 1 352 ? 19.722 4.141 24.340 1.00 32.06 ? 352 MET A CA 1 ATOM 2806 C C . MET A 1 352 ? 19.693 4.992 23.070 1.00 32.68 ? 352 MET A C 1 ATOM 2807 O O . MET A 1 352 ? 20.671 5.684 22.753 1.00 31.00 ? 352 MET A O 1 ATOM 2808 C CB . MET A 1 352 ? 20.787 3.070 24.169 1.00 34.15 ? 352 MET A CB 1 ATOM 2809 C CG . MET A 1 352 ? 20.630 1.873 25.062 1.00 33.91 ? 352 MET A CG 1 ATOM 2810 S SD . MET A 1 352 ? 21.787 1.864 26.403 1.00 38.57 ? 352 MET A SD 1 ATOM 2811 C CE . MET A 1 352 ? 21.115 0.586 27.475 1.00 36.17 ? 352 MET A CE 1 ATOM 2812 N N . GLU A 1 353 ? 18.568 4.934 22.355 1.00 31.50 ? 353 GLU A N 1 ATOM 2813 C CA . GLU A 1 353 ? 18.404 5.647 21.092 1.00 30.02 ? 353 GLU A CA 1 ATOM 2814 C C . GLU A 1 353 ? 17.599 6.949 21.126 1.00 29.43 ? 353 GLU A C 1 ATOM 2815 O O . GLU A 1 353 ? 17.433 7.593 20.097 1.00 29.11 ? 353 GLU A O 1 ATOM 2816 C CB . GLU A 1 353 ? 17.781 4.699 20.059 1.00 29.98 ? 353 GLU A CB 1 ATOM 2817 C CG . GLU A 1 353 ? 18.644 3.480 19.752 1.00 27.14 ? 353 GLU A CG 1 ATOM 2818 C CD . GLU A 1 353 ? 18.029 2.584 18.691 1.00 28.16 ? 353 GLU A CD 1 ATOM 2819 O OE1 . GLU A 1 353 ? 16.917 2.885 18.220 1.00 25.36 ? 353 GLU A OE1 1 ATOM 2820 O OE2 . GLU A 1 353 ? 18.660 1.578 18.324 1.00 30.93 ? 353 GLU A OE2 1 ATOM 2821 N N . VAL A 1 354 ? 17.111 7.345 22.294 1.00 31.87 ? 354 VAL A N 1 ATOM 2822 C CA . VAL A 1 354 ? 16.330 8.567 22.402 1.00 32.74 ? 354 VAL A CA 1 ATOM 2823 C C . VAL A 1 354 ? 17.259 9.764 22.656 1.00 33.57 ? 354 VAL A C 1 ATOM 2824 O O . VAL A 1 354 ? 18.090 9.708 23.566 1.00 32.90 ? 354 VAL A O 1 ATOM 2825 C CB . VAL A 1 354 ? 15.305 8.479 23.579 1.00 33.10 ? 354 VAL A CB 1 ATOM 2826 C CG1 . VAL A 1 354 ? 14.373 9.645 23.535 1.00 31.22 ? 354 VAL A CG1 1 ATOM 2827 C CG2 . VAL A 1 354 ? 14.521 7.194 23.480 1.00 32.79 ? 354 VAL A CG2 1 ATOM 2828 N N . PRO A 1 355 ? 17.167 10.835 21.836 1.00 34.44 ? 355 PRO A N 1 ATOM 2829 C CA . PRO A 1 355 ? 18.050 11.964 22.105 1.00 34.77 ? 355 PRO A CA 1 ATOM 2830 C C . PRO A 1 355 ? 17.430 12.840 23.202 1.00 36.51 ? 355 PRO A C 1 ATOM 2831 O O . PRO A 1 355 ? 16.294 12.597 23.626 1.00 35.37 ? 355 PRO A O 1 ATOM 2832 C CB . PRO A 1 355 ? 18.142 12.674 20.746 1.00 34.73 ? 355 PRO A CB 1 ATOM 2833 C CG . PRO A 1 355 ? 16.949 12.160 19.912 1.00 32.88 ? 355 PRO A CG 1 ATOM 2834 C CD . PRO A 1 355 ? 16.186 11.177 20.787 1.00 34.35 ? 355 PRO A CD 1 ATOM 2835 N N . SER A 1 356 ? 18.151 13.879 23.624 1.00 36.38 ? 356 SER A N 1 ATOM 2836 C CA . SER A 1 356 ? 17.680 14.762 24.692 1.00 35.59 ? 356 SER A CA 1 ATOM 2837 C C . SER A 1 356 ? 16.669 15.841 24.303 1.00 35.59 ? 356 SER A C 1 ATOM 2838 O O . SER A 1 356 ? 16.129 16.521 25.179 1.00 35.48 ? 356 SER A O 1 ATOM 2839 C CB . SER A 1 356 ? 18.887 15.424 25.362 1.00 35.35 ? 356 SER A CB 1 ATOM 2840 O OG . SER A 1 356 ? 19.573 16.238 24.427 1.00 37.32 ? 356 SER A OG 1 ATOM 2841 N N . THR A 1 357 ? 16.417 16.010 23.005 1.00 36.80 ? 357 THR A N 1 ATOM 2842 C CA . THR A 1 357 ? 15.481 17.046 22.533 1.00 37.30 ? 357 THR A CA 1 ATOM 2843 C C . THR A 1 357 ? 14.684 16.608 21.302 1.00 38.61 ? 357 THR A C 1 ATOM 2844 O O . THR A 1 357 ? 14.996 15.589 20.683 1.00 37.85 ? 357 THR A O 1 ATOM 2845 C CB . THR A 1 357 ? 16.224 18.343 22.127 1.00 37.94 ? 357 THR A CB 1 ATOM 2846 O OG1 . THR A 1 357 ? 16.542 18.288 20.724 1.00 39.01 ? 357 THR A OG1 1 ATOM 2847 C CG2 . THR A 1 357 ? 17.539 18.474 22.915 1.00 35.29 ? 357 THR A CG2 1 ATOM 2848 N N . VAL A 1 358 ? 13.674 17.406 20.945 1.00 38.96 ? 358 VAL A N 1 ATOM 2849 C CA . VAL A 1 358 ? 12.819 17.181 19.779 1.00 38.36 ? 358 VAL A CA 1 ATOM 2850 C C . VAL A 1 358 ? 12.561 18.552 19.124 1.00 39.90 ? 358 VAL A C 1 ATOM 2851 O O . VAL A 1 358 ? 12.338 19.553 19.818 1.00 39.93 ? 358 VAL A O 1 ATOM 2852 C CB . VAL A 1 358 ? 11.448 16.586 20.161 1.00 39.28 ? 358 VAL A CB 1 ATOM 2853 C CG1 . VAL A 1 358 ? 10.548 16.581 18.950 1.00 37.62 ? 358 VAL A CG1 1 ATOM 2854 C CG2 . VAL A 1 358 ? 11.601 15.155 20.638 1.00 39.63 ? 358 VAL A CG2 1 ATOM 2855 N N . SER A 1 359 ? 12.552 18.586 17.792 1.00 40.99 ? 359 SER A N 1 ATOM 2856 C CA . SER A 1 359 ? 12.346 19.821 17.032 1.00 40.53 ? 359 SER A CA 1 ATOM 2857 C C . SER A 1 359 ? 11.116 19.835 16.131 1.00 41.63 ? 359 SER A C 1 ATOM 2858 O O . SER A 1 359 ? 10.558 18.793 15.784 1.00 40.31 ? 359 SER A O 1 ATOM 2859 C CB . SER A 1 359 ? 13.563 20.110 16.148 1.00 39.50 ? 359 SER A CB 1 ATOM 2860 O OG . SER A 1 359 ? 14.780 20.025 16.871 1.00 39.59 ? 359 SER A OG 1 ATOM 2861 N N . ARG A 1 360 ? 10.696 21.040 15.760 1.00 42.82 ? 360 ARG A N 1 ATOM 2862 C CA . ARG A 1 360 ? 9.596 21.221 14.842 1.00 43.50 ? 360 ARG A CA 1 ATOM 2863 C C . ARG A 1 360 ? 10.169 22.018 13.658 1.00 44.20 ? 360 ARG A C 1 ATOM 2864 O O . ARG A 1 360 ? 10.682 23.132 13.849 1.00 43.58 ? 360 ARG A O 1 ATOM 2865 C CB . ARG A 1 360 ? 8.432 21.920 15.534 1.00 43.08 ? 360 ARG A CB 1 ATOM 2866 C CG . ARG A 1 360 ? 8.083 21.218 16.825 1.00 42.33 ? 360 ARG A CG 1 ATOM 2867 C CD . ARG A 1 360 ? 8.536 22.024 18.019 1.00 41.45 ? 360 ARG A CD 1 ATOM 2868 N NE . ARG A 1 360 ? 7.365 22.387 18.808 1.00 43.80 ? 360 ARG A NE 1 ATOM 2869 C CZ . ARG A 1 360 ? 7.149 23.587 19.319 1.00 43.05 ? 360 ARG A CZ 1 ATOM 2870 N NH1 . ARG A 1 360 ? 8.020 24.564 19.112 1.00 42.47 ? 360 ARG A NH1 1 ATOM 2871 N NH2 . ARG A 1 360 ? 6.056 23.824 20.035 1.00 44.74 ? 360 ARG A NH2 1 ATOM 2872 N N . LEU A 1 361 ? 10.076 21.460 12.459 1.00 46.46 ? 361 LEU A N 1 ATOM 2873 C CA . LEU A 1 361 ? 10.609 22.095 11.265 1.00 48.85 ? 361 LEU A CA 1 ATOM 2874 C C . LEU A 1 361 ? 9.526 22.618 10.307 1.00 51.25 ? 361 LEU A C 1 ATOM 2875 O O . LEU A 1 361 ? 8.420 22.071 10.238 1.00 51.82 ? 361 LEU A O 1 ATOM 2876 C CB . LEU A 1 361 ? 11.552 21.122 10.555 1.00 47.03 ? 361 LEU A CB 1 ATOM 2877 C CG . LEU A 1 361 ? 12.446 20.269 11.450 1.00 47.43 ? 361 LEU A CG 1 ATOM 2878 C CD1 . LEU A 1 361 ? 13.516 19.574 10.633 1.00 47.51 ? 361 LEU A CD1 1 ATOM 2879 C CD2 . LEU A 1 361 ? 13.079 21.112 12.547 1.00 48.47 ? 361 LEU A CD2 1 ATOM 2880 N N . ASP A 1 362 ? 9.850 23.684 9.561 1.00 52.81 ? 362 ASP A N 1 ATOM 2881 C CA . ASP A 1 362 ? 8.815 24.207 8.654 1.00 53.62 ? 362 ASP A CA 1 ATOM 2882 C C . ASP A 1 362 ? 9.153 23.895 7.207 1.00 53.91 ? 362 ASP A C 1 ATOM 2883 O O . ASP A 1 362 ? 10.212 23.314 6.920 1.00 53.30 ? 362 ASP A O 1 ATOM 2884 C CB . ASP A 1 362 ? 8.575 25.687 8.907 1.00 53.63 ? 362 ASP A CB 1 ATOM 2885 C CG . ASP A 1 362 ? 9.766 26.560 8.652 1.00 54.98 ? 362 ASP A CG 1 ATOM 2886 O OD1 . ASP A 1 362 ? 10.634 26.154 7.850 1.00 53.00 ? 362 ASP A OD1 1 ATOM 2887 O OD2 . ASP A 1 362 ? 9.839 27.644 9.253 1.00 56.27 ? 362 ASP A OD2 1 ATOM 2888 N N . GLU A 1 363 ? 8.273 24.264 6.336 1.00 54.34 ? 363 GLU A N 1 ATOM 2889 C CA . GLU A 1 363 ? 8.436 23.876 4.951 1.00 53.70 ? 363 GLU A CA 1 ATOM 2890 C C . GLU A 1 363 ? 9.920 23.824 4.377 1.00 52.62 ? 363 GLU A C 1 ATOM 2891 O O . GLU A 1 363 ? 10.121 23.008 3.484 1.00 52.83 ? 363 GLU A O 1 ATOM 2892 C CB . GLU A 1 363 ? 7.372 24.664 4.150 1.00 53.83 ? 363 GLU A CB 1 ATOM 2893 C CG . GLU A 1 363 ? 6.160 25.192 4.990 1.00 53.42 ? 363 GLU A CG 1 ATOM 2894 C CD . GLU A 1 363 ? 4.881 24.341 5.121 1.00 52.82 ? 363 GLU A CD 1 ATOM 2895 O OE1 . GLU A 1 363 ? 4.891 23.178 4.673 1.00 52.49 ? 363 GLU A OE1 1 ATOM 2896 O OE2 . GLU A 1 363 ? 3.885 24.855 5.686 1.00 51.46 ? 363 GLU A OE2 1 ATOM 2897 N N . ASN A 1 364 ? 10.957 24.594 4.813 1.00 50.91 ? 364 ASN A N 1 ATOM 2898 C CA . ASN A 1 364 ? 12.338 24.455 4.241 1.00 52.05 ? 364 ASN A CA 1 ATOM 2899 C C . ASN A 1 364 ? 13.276 23.777 5.220 1.00 51.44 ? 364 ASN A C 1 ATOM 2900 O O . ASN A 1 364 ? 14.505 23.872 5.147 1.00 51.63 ? 364 ASN A O 1 ATOM 2901 C CB . ASN A 1 364 ? 12.965 25.808 3.917 1.00 52.58 ? 364 ASN A CB 1 ATOM 2902 C CG . ASN A 1 364 ? 12.056 26.838 3.309 1.00 52.48 ? 364 ASN A CG 1 ATOM 2903 O OD1 . ASN A 1 364 ? 12.190 28.042 3.579 1.00 51.68 ? 364 ASN A OD1 1 ATOM 2904 N ND2 . ASN A 1 364 ? 11.120 26.396 2.476 1.00 52.00 ? 364 ASN A ND2 1 ATOM 2905 N N . TYR A 1 365 ? 12.628 23.088 6.150 1.00 50.71 ? 365 TYR A N 1 ATOM 2906 C CA . TYR A 1 365 ? 13.252 22.354 7.238 1.00 49.33 ? 365 TYR A CA 1 ATOM 2907 C C . TYR A 1 365 ? 14.244 23.165 8.076 1.00 49.08 ? 365 TYR A C 1 ATOM 2908 O O . TYR A 1 365 ? 15.432 22.897 8.154 1.00 49.27 ? 365 TYR A O 1 ATOM 2909 C CB . TYR A 1 365 ? 13.907 21.085 6.693 1.00 49.79 ? 365 TYR A CB 1 ATOM 2910 C CG . TYR A 1 365 ? 12.923 20.009 6.283 1.00 48.88 ? 365 TYR A CG 1 ATOM 2911 C CD1 . TYR A 1 365 ? 13.123 18.696 6.672 1.00 48.35 ? 365 TYR A CD1 1 ATOM 2912 C CD2 . TYR A 1 365 ? 11.793 20.299 5.511 1.00 49.84 ? 365 TYR A CD2 1 ATOM 2913 C CE1 . TYR A 1 365 ? 12.237 17.696 6.320 1.00 48.19 ? 365 TYR A CE1 1 ATOM 2914 C CE2 . TYR A 1 365 ? 10.885 19.280 5.137 1.00 49.89 ? 365 TYR A CE2 1 ATOM 2915 C CZ . TYR A 1 365 ? 11.123 17.982 5.556 1.00 49.36 ? 365 TYR A CZ 1 ATOM 2916 O OH . TYR A 1 365 ? 10.244 16.972 5.228 1.00 50.80 ? 365 TYR A OH 1 ATOM 2917 N N . GLN A 1 366 ? 13.613 24.175 8.698 1.00 49.33 ? 366 GLN A N 1 ATOM 2918 C CA . GLN A 1 366 ? 14.272 25.120 9.593 1.00 49.20 ? 366 GLN A CA 1 ATOM 2919 C C . GLN A 1 366 ? 13.398 25.336 10.833 1.00 49.20 ? 366 GLN A C 1 ATOM 2920 O O . GLN A 1 366 ? 12.209 24.997 10.825 1.00 48.80 ? 366 GLN A O 1 ATOM 2921 C CB . GLN A 1 366 ? 14.628 26.437 8.882 1.00 48.85 ? 366 GLN A CB 1 ATOM 2922 C CG . GLN A 1 366 ? 15.424 26.292 7.570 1.00 49.21 ? 366 GLN A CG 1 ATOM 2923 C CD . GLN A 1 366 ? 16.941 26.100 7.689 1.00 50.44 ? 366 GLN A CD 1 ATOM 2924 O OE1 . GLN A 1 366 ? 17.509 26.158 8.789 1.00 48.56 ? 366 GLN A OE1 1 ATOM 2925 N NE2 . GLN A 1 366 ? 17.782 25.865 6.674 1.00 51.71 ? 366 GLN A NE2 1 ATOM 2926 N N . PRO A 1 367 ? 13.970 25.887 11.913 1.00 48.96 ? 367 PRO A N 1 ATOM 2927 C CA . PRO A 1 367 ? 13.209 26.155 13.132 1.00 48.86 ? 367 PRO A CA 1 ATOM 2928 C C . PRO A 1 367 ? 11.831 26.747 12.915 1.00 49.82 ? 367 PRO A C 1 ATOM 2929 O O . PRO A 1 367 ? 11.691 27.926 12.578 1.00 50.63 ? 367 PRO A O 1 ATOM 2930 C CB . PRO A 1 367 ? 14.134 27.089 13.903 1.00 48.38 ? 367 PRO A CB 1 ATOM 2931 C CG . PRO A 1 367 ? 15.458 26.515 13.598 1.00 47.60 ? 367 PRO A CG 1 ATOM 2932 C CD . PRO A 1 367 ? 15.380 26.273 12.100 1.00 48.99 ? 367 PRO A CD 1 ATOM 2933 N N . TRP A 1 368 ? 10.818 25.908 13.092 1.00 50.68 ? 368 TRP A N 1 ATOM 2934 C CA . TRP A 1 368 ? 9.439 26.350 12.963 1.00 51.53 ? 368 TRP A CA 1 ATOM 2935 C C . TRP A 1 368 ? 9.215 26.990 14.333 1.00 53.09 ? 368 TRP A C 1 ATOM 2936 O O . TRP A 1 368 ? 9.214 26.292 15.347 1.00 54.44 ? 368 TRP A O 1 ATOM 2937 C CB . TRP A 1 368 ? 8.521 25.137 12.767 1.00 50.33 ? 368 TRP A CB 1 ATOM 2938 C CG . TRP A 1 368 ? 7.049 25.450 12.658 1.00 50.00 ? 368 TRP A CG 1 ATOM 2939 C CD1 . TRP A 1 368 ? 6.325 25.626 11.510 1.00 49.81 ? 368 TRP A CD1 1 ATOM 2940 C CD2 . TRP A 1 368 ? 6.120 25.590 13.742 1.00 49.38 ? 368 TRP A CD2 1 ATOM 2941 N NE1 . TRP A 1 368 ? 5.002 25.864 11.813 1.00 49.54 ? 368 TRP A NE1 1 ATOM 2942 C CE2 . TRP A 1 368 ? 4.848 25.845 13.174 1.00 49.55 ? 368 TRP A CE2 1 ATOM 2943 C CE3 . TRP A 1 368 ? 6.236 25.520 15.137 1.00 48.21 ? 368 TRP A CE3 1 ATOM 2944 C CZ2 . TRP A 1 368 ? 3.700 26.029 13.955 1.00 49.23 ? 368 TRP A CZ2 1 ATOM 2945 C CZ3 . TRP A 1 368 ? 5.098 25.704 15.910 1.00 48.83 ? 368 TRP A CZ3 1 ATOM 2946 C CH2 . TRP A 1 368 ? 3.845 25.954 15.315 1.00 48.94 ? 368 TRP A CH2 1 ATOM 2947 N N . GLY A 1 369 ? 9.101 28.314 14.376 1.00 53.20 ? 369 GLY A N 1 ATOM 2948 C CA . GLY A 1 369 ? 8.895 28.990 15.643 1.00 53.47 ? 369 GLY A CA 1 ATOM 2949 C C . GLY A 1 369 ? 10.135 29.316 16.478 1.00 54.27 ? 369 GLY A C 1 ATOM 2950 O O . GLY A 1 369 ? 11.233 28.814 16.223 1.00 53.46 ? 369 GLY A O 1 ATOM 2951 N N . PRO A 1 370 ? 9.971 30.172 17.505 1.00 55.13 ? 370 PRO A N 1 ATOM 2952 C CA . PRO A 1 370 ? 10.996 30.640 18.445 1.00 55.74 ? 370 PRO A CA 1 ATOM 2953 C C . PRO A 1 370 ? 11.505 29.601 19.445 1.00 56.36 ? 370 PRO A C 1 ATOM 2954 O O . PRO A 1 370 ? 12.719 29.482 19.686 1.00 57.11 ? 370 PRO A O 1 ATOM 2955 C CB . PRO A 1 370 ? 10.306 31.818 19.137 1.00 56.05 ? 370 PRO A CB 1 ATOM 2956 C CG . PRO A 1 370 ? 8.881 31.362 19.181 1.00 55.96 ? 370 PRO A CG 1 ATOM 2957 C CD . PRO A 1 370 ? 8.698 30.870 17.760 1.00 55.27 ? 370 PRO A CD 1 ATOM 2958 N N . GLU A 1 371 ? 10.584 28.839 20.020 1.00 56.94 ? 371 GLU A N 1 ATOM 2959 C CA . GLU A 1 371 ? 10.936 27.808 21.003 1.00 57.65 ? 371 GLU A CA 1 ATOM 2960 C C . GLU A 1 371 ? 10.751 26.409 20.347 1.00 55.56 ? 371 GLU A C 1 ATOM 2961 O O . GLU A 1 371 ? 10.177 25.503 20.943 1.00 54.92 ? 371 GLU A O 1 ATOM 2962 C CB . GLU A 1 371 ? 10.067 28.011 22.290 1.00 59.94 ? 371 GLU A CB 1 ATOM 2963 C CG . GLU A 1 371 ? 10.492 29.265 23.113 1.00 61.49 ? 371 GLU A CG 1 ATOM 2964 C CD . GLU A 1 371 ? 9.435 29.786 24.152 1.00 64.26 ? 371 GLU A CD 1 ATOM 2965 O OE1 . GLU A 1 371 ? 8.280 29.300 24.141 1.00 64.87 ? 371 GLU A OE1 1 ATOM 2966 O OE2 . GLU A 1 371 ? 9.775 30.693 24.955 1.00 62.59 ? 371 GLU A OE2 1 ATOM 2967 N N . ALA A 1 372 ? 11.295 26.247 19.132 1.00 53.37 ? 372 ALA A N 1 ATOM 2968 C CA . ALA A 1 372 ? 11.221 25.009 18.329 1.00 51.08 ? 372 ALA A CA 1 ATOM 2969 C C . ALA A 1 372 ? 11.886 23.752 18.872 1.00 48.94 ? 372 ALA A C 1 ATOM 2970 O O . ALA A 1 372 ? 11.322 22.665 18.802 1.00 48.43 ? 372 ALA A O 1 ATOM 2971 C CB . ALA A 1 372 ? 11.766 25.270 16.912 1.00 51.33 ? 372 ALA A CB 1 ATOM 2972 N N . GLU A 1 373 ? 13.107 23.863 19.365 1.00 47.17 ? 373 GLU A N 1 ATOM 2973 C CA . GLU A 1 373 ? 13.764 22.679 19.893 1.00 44.79 ? 373 GLU A CA 1 ATOM 2974 C C . GLU A 1 373 ? 13.466 22.680 21.380 1.00 44.97 ? 373 GLU A C 1 ATOM 2975 O O . GLU A 1 373 ? 13.634 23.691 22.065 1.00 43.04 ? 373 GLU A O 1 ATOM 2976 C CB . GLU A 1 373 ? 15.250 22.746 19.641 1.00 44.89 ? 373 GLU A CB 1 ATOM 2977 C CG . GLU A 1 373 ? 15.966 21.468 19.973 1.00 44.09 ? 373 GLU A CG 1 ATOM 2978 C CD . GLU A 1 373 ? 17.324 21.747 20.516 1.00 45.12 ? 373 GLU A CD 1 ATOM 2979 O OE1 . GLU A 1 373 ? 17.396 22.445 21.545 1.00 46.97 ? 373 GLU A OE1 1 ATOM 2980 O OE2 . GLU A 1 373 ? 18.319 21.298 19.920 1.00 46.16 ? 373 GLU A OE2 1 ATOM 2981 N N . LEU A 1 374 ? 13.012 21.531 21.867 1.00 43.68 ? 374 LEU A N 1 ATOM 2982 C CA . LEU A 1 374 ? 12.603 21.412 23.249 1.00 42.90 ? 374 LEU A CA 1 ATOM 2983 C C . LEU A 1 374 ? 13.206 20.209 23.959 1.00 42.02 ? 374 LEU A C 1 ATOM 2984 O O . LEU A 1 374 ? 13.584 19.240 23.314 1.00 42.40 ? 374 LEU A O 1 ATOM 2985 C CB . LEU A 1 374 ? 11.093 21.338 23.288 1.00 43.74 ? 374 LEU A CB 1 ATOM 2986 C CG . LEU A 1 374 ? 10.362 22.515 22.631 1.00 43.65 ? 374 LEU A CG 1 ATOM 2987 C CD1 . LEU A 1 374 ? 9.037 22.071 22.005 1.00 43.73 ? 374 LEU A CD1 1 ATOM 2988 C CD2 . LEU A 1 374 ? 10.158 23.579 23.678 1.00 43.78 ? 374 LEU A CD2 1 ATOM 2989 N N . PRO A 1 375 ? 13.327 20.264 25.303 1.00 40.66 ? 375 PRO A N 1 ATOM 2990 C CA . PRO A 1 375 ? 13.906 19.124 26.028 1.00 40.68 ? 375 PRO A CA 1 ATOM 2991 C C . PRO A 1 375 ? 12.877 18.002 26.054 1.00 39.09 ? 375 PRO A C 1 ATOM 2992 O O . PRO A 1 375 ? 11.696 18.235 26.321 1.00 38.80 ? 375 PRO A O 1 ATOM 2993 C CB . PRO A 1 375 ? 14.153 19.678 27.436 1.00 41.05 ? 375 PRO A CB 1 ATOM 2994 C CG . PRO A 1 375 ? 14.291 21.140 27.213 1.00 40.59 ? 375 PRO A CG 1 ATOM 2995 C CD . PRO A 1 375 ? 13.176 21.410 26.210 1.00 40.61 ? 375 PRO A CD 1 ATOM 2996 N N . LEU A 1 376 ? 13.325 16.790 25.758 1.00 38.33 ? 376 LEU A N 1 ATOM 2997 C CA . LEU A 1 376 ? 12.456 15.623 25.743 1.00 38.30 ? 376 LEU A CA 1 ATOM 2998 C C . LEU A 1 376 ? 11.623 15.580 27.002 1.00 39.29 ? 376 LEU A C 1 ATOM 2999 O O . LEU A 1 376 ? 10.423 15.308 26.937 1.00 38.45 ? 376 LEU A O 1 ATOM 3000 C CB . LEU A 1 376 ? 13.305 14.352 25.663 1.00 36.41 ? 376 LEU A CB 1 ATOM 3001 C CG . LEU A 1 376 ? 12.833 13.042 24.985 1.00 36.20 ? 376 LEU A CG 1 ATOM 3002 C CD1 . LEU A 1 376 ? 13.327 11.861 25.810 1.00 31.91 ? 376 LEU A CD1 1 ATOM 3003 C CD2 . LEU A 1 376 ? 11.331 12.970 24.811 1.00 33.58 ? 376 LEU A CD2 1 ATOM 3004 N N . HIS A 1 377 ? 12.229 15.876 28.149 1.00 40.80 ? 377 HIS A N 1 ATOM 3005 C CA . HIS A 1 377 ? 11.446 15.798 29.362 1.00 43.41 ? 377 HIS A CA 1 ATOM 3006 C C . HIS A 1 377 ? 10.266 16.783 29.437 1.00 44.44 ? 377 HIS A C 1 ATOM 3007 O O . HIS A 1 377 ? 9.495 16.745 30.385 1.00 46.72 ? 377 HIS A O 1 ATOM 3008 C CB . HIS A 1 377 ? 12.363 15.826 30.606 1.00 44.99 ? 377 HIS A CB 1 ATOM 3009 C CG . HIS A 1 377 ? 12.575 17.177 31.205 1.00 48.40 ? 377 HIS A CG 1 ATOM 3010 N ND1 . HIS A 1 377 ? 13.750 17.878 31.052 1.00 49.98 ? 377 HIS A ND1 1 ATOM 3011 C CD2 . HIS A 1 377 ? 11.787 17.931 32.008 1.00 49.20 ? 377 HIS A CD2 1 ATOM 3012 C CE1 . HIS A 1 377 ? 13.681 19.004 31.738 1.00 48.60 ? 377 HIS A CE1 1 ATOM 3013 N NE2 . HIS A 1 377 ? 12.501 19.061 32.328 1.00 50.79 ? 377 HIS A NE2 1 ATOM 3014 N N . THR A 1 378 ? 10.098 17.647 28.437 1.00 44.53 ? 378 THR A N 1 ATOM 3015 C CA . THR A 1 378 ? 8.918 18.524 28.441 1.00 43.62 ? 378 THR A CA 1 ATOM 3016 C C . THR A 1 378 ? 7.887 17.985 27.466 1.00 42.87 ? 378 THR A C 1 ATOM 3017 O O . THR A 1 378 ? 6.840 18.597 27.249 1.00 43.33 ? 378 THR A O 1 ATOM 3018 C CB . THR A 1 378 ? 9.185 20.009 28.033 1.00 43.07 ? 378 THR A CB 1 ATOM 3019 O OG1 . THR A 1 378 ? 9.815 20.067 26.745 1.00 43.69 ? 378 THR A OG1 1 ATOM 3020 C CG2 . THR A 1 378 ? 10.013 20.714 29.105 1.00 43.24 ? 378 THR A CG2 1 ATOM 3021 N N . LEU A 1 379 ? 8.180 16.839 26.864 1.00 41.01 ? 379 LEU A N 1 ATOM 3022 C CA . LEU A 1 379 ? 7.244 16.273 25.912 1.00 38.06 ? 379 LEU A CA 1 ATOM 3023 C C . LEU A 1 379 ? 6.514 15.005 26.361 1.00 36.63 ? 379 LEU A C 1 ATOM 3024 O O . LEU A 1 379 ? 5.657 14.479 25.635 1.00 35.43 ? 379 LEU A O 1 ATOM 3025 C CB . LEU A 1 379 ? 7.969 16.070 24.582 1.00 38.23 ? 379 LEU A CB 1 ATOM 3026 C CG . LEU A 1 379 ? 8.522 17.440 24.146 1.00 39.02 ? 379 LEU A CG 1 ATOM 3027 C CD1 . LEU A 1 379 ? 9.214 17.360 22.797 1.00 39.39 ? 379 LEU A CD1 1 ATOM 3028 C CD2 . LEU A 1 379 ? 7.373 18.427 24.092 1.00 37.88 ? 379 LEU A CD2 1 ATOM 3029 N N . PHE A 1 380 ? 6.839 14.518 27.557 1.00 34.69 ? 380 PHE A N 1 ATOM 3030 C CA . PHE A 1 380 ? 6.187 13.324 28.091 1.00 34.28 ? 380 PHE A CA 1 ATOM 3031 C C . PHE A 1 380 ? 4.705 13.681 28.231 1.00 33.63 ? 380 PHE A C 1 ATOM 3032 O O . PHE A 1 380 ? 4.372 14.754 28.716 1.00 33.71 ? 380 PHE A O 1 ATOM 3033 C CB . PHE A 1 380 ? 6.812 12.938 29.447 1.00 34.57 ? 380 PHE A CB 1 ATOM 3034 C CG . PHE A 1 380 ? 8.305 12.632 29.372 1.00 36.34 ? 380 PHE A CG 1 ATOM 3035 C CD1 . PHE A 1 380 ? 8.834 11.940 28.279 1.00 36.26 ? 380 PHE A CD1 1 ATOM 3036 C CD2 . PHE A 1 380 ? 9.168 12.955 30.428 1.00 36.01 ? 380 PHE A CD2 1 ATOM 3037 C CE1 . PHE A 1 380 ? 10.191 11.563 28.241 1.00 35.50 ? 380 PHE A CE1 1 ATOM 3038 C CE2 . PHE A 1 380 ? 10.526 12.579 30.392 1.00 34.65 ? 380 PHE A CE2 1 ATOM 3039 C CZ . PHE A 1 380 ? 11.026 11.881 29.299 1.00 31.40 ? 380 PHE A CZ 1 ATOM 3040 N N . PHE A 1 381 ? 3.825 12.796 27.768 1.00 33.26 ? 381 PHE A N 1 ATOM 3041 C CA . PHE A 1 381 ? 2.364 13.000 27.794 1.00 32.94 ? 381 PHE A CA 1 ATOM 3042 C C . PHE A 1 381 ? 1.962 14.448 27.557 1.00 33.81 ? 381 PHE A C 1 ATOM 3043 O O . PHE A 1 381 ? 1.132 14.987 28.264 1.00 33.72 ? 381 PHE A O 1 ATOM 3044 C CB . PHE A 1 381 ? 1.758 12.541 29.126 1.00 31.22 ? 381 PHE A CB 1 ATOM 3045 C CG . PHE A 1 381 ? 2.295 11.245 29.615 1.00 27.63 ? 381 PHE A CG 1 ATOM 3046 C CD1 . PHE A 1 381 ? 1.635 10.058 29.372 1.00 24.20 ? 381 PHE A CD1 1 ATOM 3047 C CD2 . PHE A 1 381 ? 3.506 11.220 30.293 1.00 27.90 ? 381 PHE A CD2 1 ATOM 3048 C CE1 . PHE A 1 381 ? 2.174 8.861 29.800 1.00 25.68 ? 381 PHE A CE1 1 ATOM 3049 C CE2 . PHE A 1 381 ? 4.065 10.024 30.727 1.00 25.62 ? 381 PHE A CE2 1 ATOM 3050 C CZ . PHE A 1 381 ? 3.405 8.844 30.480 1.00 25.88 ? 381 PHE A CZ 1 ATOM 3051 N N . ASN A 1 382 ? 2.562 15.047 26.543 1.00 36.84 ? 382 ASN A N 1 ATOM 3052 C CA . ASN A 1 382 ? 2.330 16.421 26.161 1.00 38.55 ? 382 ASN A CA 1 ATOM 3053 C C . ASN A 1 382 ? 1.609 16.295 24.841 1.00 39.78 ? 382 ASN A C 1 ATOM 3054 O O . ASN A 1 382 ? 2.192 15.860 23.856 1.00 40.61 ? 382 ASN A O 1 ATOM 3055 C CB . ASN A 1 382 ? 3.681 17.107 25.977 1.00 38.53 ? 382 ASN A CB 1 ATOM 3056 C CG . ASN A 1 382 ? 3.562 18.573 25.586 1.00 39.15 ? 382 ASN A CG 1 ATOM 3057 O OD1 . ASN A 1 382 ? 2.665 18.970 24.834 1.00 39.07 ? 382 ASN A OD1 1 ATOM 3058 N ND2 . ASN A 1 382 ? 4.494 19.383 26.079 1.00 37.58 ? 382 ASN A ND2 1 ATOM 3059 N N . THR A 1 383 ? 0.325 16.624 24.841 1.00 41.15 ? 383 THR A N 1 ATOM 3060 C CA . THR A 1 383 ? -0.481 16.534 23.637 1.00 42.60 ? 383 THR A CA 1 ATOM 3061 C C . THR A 1 383 ? -0.723 17.923 23.139 1.00 43.30 ? 383 THR A C 1 ATOM 3062 O O . THR A 1 383 ? -0.837 18.166 21.931 1.00 43.70 ? 383 THR A O 1 ATOM 3063 C CB . THR A 1 383 ? -1.844 15.896 23.910 1.00 40.95 ? 383 THR A CB 1 ATOM 3064 O OG1 . THR A 1 383 ? -2.385 16.442 25.117 1.00 44.72 ? 383 THR A OG1 1 ATOM 3065 C CG2 . THR A 1 383 ? -1.726 14.384 24.024 1.00 39.36 ? 383 THR A CG2 1 ATOM 3066 N N . TRP A 1 384 ? -0.780 18.849 24.082 1.00 43.16 ? 384 TRP A N 1 ATOM 3067 C CA . TRP A 1 384 ? -1.044 20.212 23.706 1.00 44.53 ? 384 TRP A CA 1 ATOM 3068 C C . TRP A 1 384 ? -0.056 20.773 22.680 1.00 45.76 ? 384 TRP A C 1 ATOM 3069 O O . TRP A 1 384 ? -0.483 21.449 21.742 1.00 45.84 ? 384 TRP A O 1 ATOM 3070 C CB . TRP A 1 384 ? -1.167 21.107 24.948 1.00 42.15 ? 384 TRP A CB 1 ATOM 3071 C CG . TRP A 1 384 ? 0.070 21.375 25.727 1.00 40.47 ? 384 TRP A CG 1 ATOM 3072 C CD1 . TRP A 1 384 ? 0.489 20.755 26.870 1.00 40.48 ? 384 TRP A CD1 1 ATOM 3073 C CD2 . TRP A 1 384 ? 1.021 22.396 25.454 1.00 39.87 ? 384 TRP A CD2 1 ATOM 3074 N NE1 . TRP A 1 384 ? 1.647 21.342 27.328 1.00 38.34 ? 384 TRP A NE1 1 ATOM 3075 C CE2 . TRP A 1 384 ? 1.992 22.358 26.478 1.00 39.70 ? 384 TRP A CE2 1 ATOM 3076 C CE3 . TRP A 1 384 ? 1.142 23.350 24.446 1.00 40.08 ? 384 TRP A CE3 1 ATOM 3077 C CZ2 . TRP A 1 384 ? 3.085 23.243 26.519 1.00 40.74 ? 384 TRP A CZ2 1 ATOM 3078 C CZ3 . TRP A 1 384 ? 2.234 24.233 24.486 1.00 41.38 ? 384 TRP A CZ3 1 ATOM 3079 C CH2 . TRP A 1 384 ? 3.185 24.171 25.521 1.00 38.27 ? 384 TRP A CH2 1 ATOM 3080 N N . ARG A 1 385 ? 1.238 20.485 22.803 1.00 47.30 ? 385 ARG A N 1 ATOM 3081 C CA . ARG A 1 385 ? 2.166 21.008 21.808 1.00 48.93 ? 385 ARG A CA 1 ATOM 3082 C C . ARG A 1 385 ? 1.737 20.617 20.388 1.00 50.88 ? 385 ARG A C 1 ATOM 3083 O O . ARG A 1 385 ? 2.326 21.094 19.418 1.00 51.93 ? 385 ARG A O 1 ATOM 3084 C CB . ARG A 1 385 ? 3.585 20.499 22.063 1.00 49.01 ? 385 ARG A CB 1 ATOM 3085 C CG . ARG A 1 385 ? 4.342 21.166 23.198 1.00 49.39 ? 385 ARG A CG 1 ATOM 3086 C CD . ARG A 1 385 ? 4.661 22.622 22.868 1.00 49.16 ? 385 ARG A CD 1 ATOM 3087 N NE . ARG A 1 385 ? 5.694 23.189 23.734 1.00 50.11 ? 385 ARG A NE 1 ATOM 3088 C CZ . ARG A 1 385 ? 6.197 24.417 23.608 1.00 49.47 ? 385 ARG A CZ 1 ATOM 3089 N NH1 . ARG A 1 385 ? 5.761 25.228 22.647 1.00 48.67 ? 385 ARG A NH1 1 ATOM 3090 N NH2 . ARG A 1 385 ? 7.151 24.828 24.439 1.00 48.09 ? 385 ARG A NH2 1 ATOM 3091 N N . ILE A 1 386 ? 0.730 19.752 20.255 1.00 52.15 ? 386 ILE A N 1 ATOM 3092 C CA . ILE A 1 386 ? 0.282 19.355 18.923 1.00 53.31 ? 386 ILE A CA 1 ATOM 3093 C C . ILE A 1 386 ? -0.953 20.087 18.414 1.00 54.80 ? 386 ILE A C 1 ATOM 3094 O O . ILE A 1 386 ? -0.878 20.738 17.366 1.00 55.54 ? 386 ILE A O 1 ATOM 3095 C CB . ILE A 1 386 ? 0.030 17.827 18.803 1.00 52.67 ? 386 ILE A CB 1 ATOM 3096 C CG1 . ILE A 1 386 ? 1.366 17.082 18.743 1.00 52.45 ? 386 ILE A CG1 1 ATOM 3097 C CG2 . ILE A 1 386 ? -0.771 17.530 17.531 1.00 51.24 ? 386 ILE A CG2 1 ATOM 3098 C CD1 . ILE A 1 386 ? 1.241 15.576 18.473 1.00 53.28 ? 386 ILE A CD1 1 ATOM 3099 N N . ILE A 1 387 ? -2.074 20.006 19.133 1.00 55.41 ? 387 ILE A N 1 ATOM 3100 C CA . ILE A 1 387 ? -3.287 20.689 18.684 1.00 56.96 ? 387 ILE A CA 1 ATOM 3101 C C . ILE A 1 387 ? -3.243 22.217 18.857 1.00 57.54 ? 387 ILE A C 1 ATOM 3102 O O . ILE A 1 387 ? -3.895 22.952 18.102 1.00 57.21 ? 387 ILE A O 1 ATOM 3103 C CB . ILE A 1 387 ? -4.579 20.141 19.405 1.00 57.15 ? 387 ILE A CB 1 ATOM 3104 C CG1 . ILE A 1 387 ? -5.286 21.267 20.179 1.00 56.88 ? 387 ILE A CG1 1 ATOM 3105 C CG2 . ILE A 1 387 ? -4.219 18.999 20.332 1.00 57.40 ? 387 ILE A CG2 1 ATOM 3106 C CD1 . ILE A 1 387 ? -6.794 21.053 20.326 1.00 56.80 ? 387 ILE A CD1 1 ATOM 3107 N N . LYS A 1 388 ? -2.475 22.683 19.841 1.00 57.79 ? 388 LYS A N 1 ATOM 3108 C CA . LYS A 1 388 ? -2.367 24.119 20.131 1.00 58.13 ? 388 LYS A CA 1 ATOM 3109 C C . LYS A 1 388 ? -1.007 24.757 19.796 1.00 56.91 ? 388 LYS A C 1 ATOM 3110 O O . LYS A 1 388 ? -0.706 25.832 20.298 1.00 57.00 ? 388 LYS A O 1 ATOM 3111 C CB . LYS A 1 388 ? -2.678 24.398 21.619 1.00 57.70 ? 388 LYS A CB 1 ATOM 3112 C CG . LYS A 1 388 ? -4.040 23.951 22.084 1.00 58.90 ? 388 LYS A CG 1 ATOM 3113 C CD . LYS A 1 388 ? -4.218 24.179 23.589 1.00 60.31 ? 388 LYS A CD 1 ATOM 3114 C CE . LYS A 1 388 ? -4.782 25.564 23.929 1.00 62.38 ? 388 LYS A CE 1 ATOM 3115 N NZ . LYS A 1 388 ? -3.848 26.707 23.665 1.00 61.90 ? 388 LYS A NZ 1 ATOM 3116 N N . ASP A 1 389 ? -0.182 24.103 18.984 1.00 56.14 ? 389 ASP A N 1 ATOM 3117 C CA . ASP A 1 389 ? 1.113 24.681 18.622 1.00 55.74 ? 389 ASP A CA 1 ATOM 3118 C C . ASP A 1 389 ? 1.662 24.170 17.282 1.00 54.40 ? 389 ASP A C 1 ATOM 3119 O O . ASP A 1 389 ? 2.875 23.994 17.131 1.00 54.25 ? 389 ASP A O 1 ATOM 3120 C CB . ASP A 1 389 ? 2.127 24.410 19.738 1.00 57.19 ? 389 ASP A CB 1 ATOM 3121 C CG . ASP A 1 389 ? 3.410 25.224 19.591 1.00 58.62 ? 389 ASP A CG 1 ATOM 3122 O OD1 . ASP A 1 389 ? 3.637 25.822 18.520 1.00 59.85 ? 389 ASP A OD1 1 ATOM 3123 O OD2 . ASP A 1 389 ? 4.191 25.243 20.562 1.00 58.36 ? 389 ASP A OD2 1 ATOM 3124 N N . GLY A 1 390 ? 0.778 23.875 16.328 1.00 53.43 ? 390 GLY A N 1 ATOM 3125 C CA . GLY A 1 390 ? 1.252 23.433 15.024 1.00 53.17 ? 390 GLY A CA 1 ATOM 3126 C C . GLY A 1 390 ? 0.863 22.140 14.301 1.00 53.33 ? 390 GLY A C 1 ATOM 3127 O O . GLY A 1 390 ? 1.314 21.955 13.170 1.00 53.77 ? 390 GLY A O 1 ATOM 3128 N N . GLY A 1 391 ? 0.054 21.251 14.886 1.00 53.28 ? 391 GLY A N 1 ATOM 3129 C CA . GLY A 1 391 ? -0.289 20.006 14.193 1.00 52.17 ? 391 GLY A CA 1 ATOM 3130 C C . GLY A 1 391 ? 0.862 19.010 14.209 1.00 50.63 ? 391 GLY A C 1 ATOM 3131 O O . GLY A 1 391 ? 1.880 19.309 14.833 1.00 49.47 ? 391 GLY A O 1 ATOM 3132 N N . ILE A 1 392 ? 0.757 17.850 13.486 1.00 49.50 ? 392 ILE A N 1 ATOM 3133 C CA . ILE A 1 392 ? 1.885 16.897 13.427 1.00 49.14 ? 392 ILE A CA 1 ATOM 3134 C C . ILE A 1 392 ? 2.803 17.113 12.193 1.00 50.70 ? 392 ILE A C 1 ATOM 3135 O O . ILE A 1 392 ? 3.738 16.347 12.040 1.00 50.49 ? 392 ILE A O 1 ATOM 3136 C CB . ILE A 1 392 ? 1.384 15.411 13.369 1.00 48.22 ? 392 ILE A CB 1 ATOM 3137 C CG1 . ILE A 1 392 ? 0.768 15.115 12.007 1.00 47.58 ? 392 ILE A CG1 1 ATOM 3138 C CG2 . ILE A 1 392 ? 0.377 15.149 14.492 1.00 47.68 ? 392 ILE A CG2 1 ATOM 3139 C CD1 . ILE A 1 392 ? 0.626 13.634 11.720 1.00 44.41 ? 392 ILE A CD1 1 ATOM 3140 N N . ASP A 1 393 ? 2.601 18.112 11.324 1.00 51.94 ? 393 ASP A N 1 ATOM 3141 C CA . ASP A 1 393 ? 3.543 18.159 10.164 1.00 51.91 ? 393 ASP A CA 1 ATOM 3142 C C . ASP A 1 393 ? 4.922 18.546 10.591 1.00 50.16 ? 393 ASP A C 1 ATOM 3143 O O . ASP A 1 393 ? 5.959 18.140 10.036 1.00 50.49 ? 393 ASP A O 1 ATOM 3144 C CB . ASP A 1 393 ? 2.993 19.102 9.073 1.00 54.37 ? 393 ASP A CB 1 ATOM 3145 C CG . ASP A 1 393 ? 1.908 18.460 8.214 1.00 57.57 ? 393 ASP A CG 1 ATOM 3146 O OD1 . ASP A 1 393 ? 0.908 17.969 8.773 1.00 57.70 ? 393 ASP A OD1 1 ATOM 3147 O OD2 . ASP A 1 393 ? 2.057 18.457 6.972 1.00 58.07 ? 393 ASP A OD2 1 ATOM 3148 N N . PRO A 1 394 ? 4.901 19.361 11.573 1.00 47.33 ? 394 PRO A N 1 ATOM 3149 C CA . PRO A 1 394 ? 6.149 19.909 12.087 1.00 45.62 ? 394 PRO A CA 1 ATOM 3150 C C . PRO A 1 394 ? 7.010 18.901 12.738 1.00 44.43 ? 394 PRO A C 1 ATOM 3151 O O . PRO A 1 394 ? 8.225 18.995 12.773 1.00 44.56 ? 394 PRO A O 1 ATOM 3152 C CB . PRO A 1 394 ? 5.676 20.930 13.059 1.00 45.57 ? 394 PRO A CB 1 ATOM 3153 C CG . PRO A 1 394 ? 4.502 21.495 12.325 1.00 45.02 ? 394 PRO A CG 1 ATOM 3154 C CD . PRO A 1 394 ? 3.991 20.486 11.351 1.00 46.83 ? 394 PRO A CD 1 ATOM 3155 N N . LEU A 1 395 ? 6.332 17.927 13.271 1.00 42.80 ? 395 LEU A N 1 ATOM 3156 C CA . LEU A 1 395 ? 7.007 16.990 14.151 1.00 41.89 ? 395 LEU A CA 1 ATOM 3157 C C . LEU A 1 395 ? 7.471 15.853 13.276 1.00 42.00 ? 395 LEU A C 1 ATOM 3158 O O . LEU A 1 395 ? 8.479 15.213 13.555 1.00 41.23 ? 395 LEU A O 1 ATOM 3159 C CB . LEU A 1 395 ? 6.041 16.495 15.224 1.00 43.06 ? 395 LEU A CB 1 ATOM 3160 C CG . LEU A 1 395 ? 5.795 17.444 16.398 1.00 42.59 ? 395 LEU A CG 1 ATOM 3161 C CD1 . LEU A 1 395 ? 4.489 17.087 17.089 1.00 43.21 ? 395 LEU A CD1 1 ATOM 3162 C CD2 . LEU A 1 395 ? 6.981 17.369 17.376 1.00 43.48 ? 395 LEU A CD2 1 ATOM 3163 N N . VAL A 1 396 ? 6.707 15.593 12.221 1.00 41.44 ? 396 VAL A N 1 ATOM 3164 C CA . VAL A 1 396 ? 7.053 14.538 11.286 1.00 41.93 ? 396 VAL A CA 1 ATOM 3165 C C . VAL A 1 396 ? 8.289 15.006 10.551 1.00 41.80 ? 396 VAL A C 1 ATOM 3166 O O . VAL A 1 396 ? 9.059 14.190 10.058 1.00 44.40 ? 396 VAL A O 1 ATOM 3167 C CB . VAL A 1 396 ? 5.943 14.290 10.246 1.00 42.72 ? 396 VAL A CB 1 ATOM 3168 C CG1 . VAL A 1 396 ? 6.326 13.113 9.365 1.00 43.06 ? 396 VAL A CG1 1 ATOM 3169 C CG2 . VAL A 1 396 ? 4.608 14.042 10.952 1.00 42.72 ? 396 VAL A CG2 1 ATOM 3170 N N . ARG A 1 397 ? 8.480 16.318 10.452 1.00 41.76 ? 397 ARG A N 1 ATOM 3171 C CA . ARG A 1 397 ? 9.651 16.804 9.751 1.00 42.84 ? 397 ARG A CA 1 ATOM 3172 C C . ARG A 1 397 ? 10.877 16.605 10.631 1.00 43.01 ? 397 ARG A C 1 ATOM 3173 O O . ARG A 1 397 ? 11.988 16.385 10.127 1.00 43.24 ? 397 ARG A O 1 ATOM 3174 C CB . ARG A 1 397 ? 9.452 18.291 9.330 1.00 43.03 ? 397 ARG A CB 1 ATOM 3175 C CG . ARG A 1 397 ? 8.517 18.554 8.142 1.00 43.83 ? 397 ARG A CG 1 ATOM 3176 C CD . ARG A 1 397 ? 8.151 20.061 7.950 1.00 42.30 ? 397 ARG A CD 1 ATOM 3177 N NE . ARG A 1 397 ? 6.788 20.213 7.387 1.00 40.55 ? 397 ARG A NE 1 ATOM 3178 C CZ . ARG A 1 397 ? 5.834 21.095 7.725 1.00 40.98 ? 397 ARG A CZ 1 ATOM 3179 N NH1 . ARG A 1 397 ? 6.081 21.988 8.674 1.00 39.87 ? 397 ARG A NH1 1 ATOM 3180 N NH2 . ARG A 1 397 ? 4.652 21.072 7.134 1.00 41.23 ? 397 ARG A NH2 1 ATOM 3181 N N . GLY A 1 398 ? 10.698 16.698 11.945 1.00 42.84 ? 398 GLY A N 1 ATOM 3182 C CA . GLY A 1 398 ? 11.806 16.464 12.854 1.00 43.26 ? 398 GLY A CA 1 ATOM 3183 C C . GLY A 1 398 ? 12.115 14.977 12.865 1.00 43.13 ? 398 GLY A C 1 ATOM 3184 O O . GLY A 1 398 ? 13.277 14.573 12.970 1.00 43.91 ? 398 GLY A O 1 ATOM 3185 N N . LEU A 1 399 ? 11.070 14.163 12.767 1.00 42.33 ? 399 LEU A N 1 ATOM 3186 C CA . LEU A 1 399 ? 11.255 12.730 12.721 1.00 43.25 ? 399 LEU A CA 1 ATOM 3187 C C . LEU A 1 399 ? 12.103 12.461 11.479 1.00 43.50 ? 399 LEU A C 1 ATOM 3188 O O . LEU A 1 399 ? 13.096 11.734 11.536 1.00 42.12 ? 399 LEU A O 1 ATOM 3189 C CB . LEU A 1 399 ? 9.906 12.013 12.605 1.00 42.68 ? 399 LEU A CB 1 ATOM 3190 C CG . LEU A 1 399 ? 9.161 11.670 13.919 1.00 43.64 ? 399 LEU A CG 1 ATOM 3191 C CD1 . LEU A 1 399 ? 7.833 11.002 13.629 1.00 41.56 ? 399 LEU A CD1 1 ATOM 3192 C CD2 . LEU A 1 399 ? 10.040 10.788 14.759 1.00 41.33 ? 399 LEU A CD2 1 ATOM 3193 N N . LEU A 1 400 ? 11.726 13.076 10.360 1.00 43.95 ? 400 LEU A N 1 ATOM 3194 C CA . LEU A 1 400 ? 12.474 12.896 9.126 1.00 44.30 ? 400 LEU A CA 1 ATOM 3195 C C . LEU A 1 400 ? 13.886 13.486 9.127 1.00 43.96 ? 400 LEU A C 1 ATOM 3196 O O . LEU A 1 400 ? 14.820 12.820 8.668 1.00 43.85 ? 400 LEU A O 1 ATOM 3197 C CB . LEU A 1 400 ? 11.717 13.478 7.942 1.00 44.91 ? 400 LEU A CB 1 ATOM 3198 C CG . LEU A 1 400 ? 10.506 12.690 7.416 1.00 47.50 ? 400 LEU A CG 1 ATOM 3199 C CD1 . LEU A 1 400 ? 10.256 13.083 5.960 1.00 46.34 ? 400 LEU A CD1 1 ATOM 3200 C CD2 . LEU A 1 400 ? 10.756 11.201 7.519 1.00 47.63 ? 400 LEU A CD2 1 ATOM 3201 N N . ALA A 1 401 ? 14.064 14.703 9.654 1.00 42.98 ? 401 ALA A N 1 ATOM 3202 C CA . ALA A 1 401 ? 15.391 15.322 9.624 1.00 42.04 ? 401 ALA A CA 1 ATOM 3203 C C . ALA A 1 401 ? 16.312 15.423 10.841 1.00 42.93 ? 401 ALA A C 1 ATOM 3204 O O . ALA A 1 401 ? 17.402 15.997 10.739 1.00 42.86 ? 401 ALA A O 1 ATOM 3205 C CB . ALA A 1 401 ? 15.290 16.687 8.972 1.00 42.12 ? 401 ALA A CB 1 ATOM 3206 N N . LYS A 1 402 ? 15.918 14.921 12.001 1.00 42.94 ? 402 LYS A N 1 ATOM 3207 C CA . LYS A 1 402 ? 16.863 14.985 13.113 1.00 42.68 ? 402 LYS A CA 1 ATOM 3208 C C . LYS A 1 402 ? 17.386 13.566 13.205 1.00 42.64 ? 402 LYS A C 1 ATOM 3209 O O . LYS A 1 402 ? 16.952 12.718 12.420 1.00 41.72 ? 402 LYS A O 1 ATOM 3210 C CB . LYS A 1 402 ? 16.198 15.462 14.415 1.00 42.47 ? 402 LYS A CB 1 ATOM 3211 C CG . LYS A 1 402 ? 16.456 16.984 14.703 1.00 42.32 ? 402 LYS A CG 1 ATOM 3212 C CD . LYS A 1 402 ? 16.735 17.747 13.414 1.00 40.81 ? 402 LYS A CD 1 ATOM 3213 C CE . LYS A 1 402 ? 16.297 19.209 13.450 1.00 40.82 ? 402 LYS A CE 1 ATOM 3214 N NZ . LYS A 1 402 ? 17.312 20.156 14.000 1.00 41.50 ? 402 LYS A NZ 1 ATOM 3215 N N . LYS A 1 403 ? 18.325 13.309 14.114 1.00 43.32 ? 403 LYS A N 1 ATOM 3216 C CA . LYS A 1 403 ? 18.911 11.980 14.253 1.00 43.49 ? 403 LYS A CA 1 ATOM 3217 C C . LYS A 1 403 ? 18.563 11.322 15.591 1.00 42.60 ? 403 LYS A C 1 ATOM 3218 O O . LYS A 1 403 ? 18.092 11.992 16.513 1.00 43.26 ? 403 LYS A O 1 ATOM 3219 C CB . LYS A 1 403 ? 20.426 12.106 14.041 1.00 43.43 ? 403 LYS A CB 1 ATOM 3220 C CG . LYS A 1 403 ? 20.735 12.630 12.631 1.00 44.61 ? 403 LYS A CG 1 ATOM 3221 C CD . LYS A 1 403 ? 22.178 13.148 12.402 1.00 43.95 ? 403 LYS A CD 1 ATOM 3222 C CE . LYS A 1 403 ? 22.209 14.042 11.155 1.00 44.57 ? 403 LYS A CE 1 ATOM 3223 N NZ . LYS A 1 403 ? 21.030 13.812 10.214 1.00 43.15 ? 403 LYS A NZ 1 ATOM 3224 N N . SER A 1 404 ? 18.737 10.006 15.682 1.00 41.69 ? 404 SER A N 1 ATOM 3225 C CA . SER A 1 404 ? 18.459 9.283 16.928 1.00 40.31 ? 404 SER A CA 1 ATOM 3226 C C . SER A 1 404 ? 19.702 9.455 17.767 1.00 39.73 ? 404 SER A C 1 ATOM 3227 O O . SER A 1 404 ? 20.682 10.074 17.335 1.00 39.43 ? 404 SER A O 1 ATOM 3228 C CB . SER A 1 404 ? 18.284 7.770 16.697 1.00 39.17 ? 404 SER A CB 1 ATOM 3229 O OG . SER A 1 404 ? 17.095 7.438 16.004 1.00 43.15 ? 404 SER A OG 1 ATOM 3230 N N . LYS A 1 405 ? 19.662 8.923 18.979 1.00 38.76 ? 405 LYS A N 1 ATOM 3231 C CA . LYS A 1 405 ? 20.847 8.972 19.812 1.00 37.27 ? 405 LYS A CA 1 ATOM 3232 C C . LYS A 1 405 ? 21.540 7.693 19.387 1.00 35.53 ? 405 LYS A C 1 ATOM 3233 O O . LYS A 1 405 ? 20.920 6.876 18.714 1.00 35.49 ? 405 LYS A O 1 ATOM 3234 C CB . LYS A 1 405 ? 20.507 8.908 21.305 1.00 37.00 ? 405 LYS A CB 1 ATOM 3235 C CG . LYS A 1 405 ? 21.747 8.721 22.166 1.00 35.28 ? 405 LYS A CG 1 ATOM 3236 C CD . LYS A 1 405 ? 21.500 8.810 23.636 1.00 34.14 ? 405 LYS A CD 1 ATOM 3237 C CE . LYS A 1 405 ? 22.734 8.352 24.417 1.00 35.36 ? 405 LYS A CE 1 ATOM 3238 N NZ . LYS A 1 405 ? 22.865 6.878 24.343 1.00 32.01 ? 405 LYS A NZ 1 ATOM 3239 N N . LEU A 1 406 ? 22.813 7.535 19.722 1.00 34.05 ? 406 LEU A N 1 ATOM 3240 C CA . LEU A 1 406 ? 23.531 6.322 19.378 1.00 36.68 ? 406 LEU A CA 1 ATOM 3241 C C . LEU A 1 406 ? 23.943 5.696 20.692 1.00 38.35 ? 406 LEU A C 1 ATOM 3242 O O . LEU A 1 406 ? 24.381 6.402 21.601 1.00 37.47 ? 406 LEU A O 1 ATOM 3243 C CB . LEU A 1 406 ? 24.778 6.659 18.563 1.00 34.99 ? 406 LEU A CB 1 ATOM 3244 C CG . LEU A 1 406 ? 25.652 5.518 18.008 1.00 34.91 ? 406 LEU A CG 1 ATOM 3245 C CD1 . LEU A 1 406 ? 25.099 5.032 16.696 1.00 30.94 ? 406 LEU A CD1 1 ATOM 3246 C CD2 . LEU A 1 406 ? 27.083 6.020 17.824 1.00 31.89 ? 406 LEU A CD2 1 ATOM 3247 N N . MET A 1 407 ? 23.761 4.386 20.829 1.00 41.01 ? 407 MET A N 1 ATOM 3248 C CA . MET A 1 407 ? 24.241 3.802 22.084 1.00 42.82 ? 407 MET A CA 1 ATOM 3249 C C . MET A 1 407 ? 25.760 4.106 22.085 1.00 42.50 ? 407 MET A C 1 ATOM 3250 O O . MET A 1 407 ? 26.391 4.113 21.026 1.00 41.59 ? 407 MET A O 1 ATOM 3251 C CB . MET A 1 407 ? 23.935 2.301 22.180 1.00 45.62 ? 407 MET A CB 1 ATOM 3252 C CG . MET A 1 407 ? 23.848 1.745 23.582 1.00 49.59 ? 407 MET A CG 1 ATOM 3253 S SD . MET A 1 407 ? 25.441 1.147 24.158 1.00 57.83 ? 407 MET A SD 1 ATOM 3254 C CE . MET A 1 407 ? 26.071 0.373 22.671 1.00 53.23 ? 407 MET A CE 1 ATOM 3255 N N . ASN A 1 408 ? 26.321 4.373 23.240 1.00 40.85 ? 408 ASN A N 1 ATOM 3256 C CA . ASN A 1 408 ? 27.717 4.699 23.471 1.00 39.70 ? 408 ASN A CA 1 ATOM 3257 C C . ASN A 1 408 ? 27.975 4.014 24.815 1.00 38.95 ? 408 ASN A C 1 ATOM 3258 O O . ASN A 1 408 ? 27.267 4.332 25.782 1.00 37.83 ? 408 ASN A O 1 ATOM 3259 C CB . ASN A 1 408 ? 27.862 6.262 23.438 1.00 39.38 ? 408 ASN A CB 1 ATOM 3260 C CG . ASN A 1 408 ? 29.225 6.924 23.517 1.00 39.26 ? 408 ASN A CG 1 ATOM 3261 O OD1 . ASN A 1 408 ? 30.143 6.363 24.136 1.00 42.68 ? 408 ASN A OD1 1 ATOM 3262 N ND2 . ASN A 1 408 ? 29.369 8.079 22.899 1.00 37.01 ? 408 ASN A ND2 1 ATOM 3263 N N . GLN A 1 409 ? 28.939 3.105 24.976 1.00 36.97 ? 409 GLN A N 1 ATOM 3264 C CA . GLN A 1 409 ? 29.143 2.469 26.315 1.00 35.84 ? 409 GLN A CA 1 ATOM 3265 C C . GLN A 1 409 ? 29.449 3.480 27.421 1.00 36.99 ? 409 GLN A C 1 ATOM 3266 O O . GLN A 1 409 ? 29.413 3.135 28.609 1.00 37.41 ? 409 GLN A O 1 ATOM 3267 C CB . GLN A 1 409 ? 30.315 1.472 26.281 1.00 33.44 ? 409 GLN A CB 1 ATOM 3268 C CG . GLN A 1 409 ? 30.194 0.397 25.237 1.00 31.71 ? 409 GLN A CG 1 ATOM 3269 C CD . GLN A 1 409 ? 31.455 -0.416 25.087 1.00 32.69 ? 409 GLN A CD 1 ATOM 3270 O OE1 . GLN A 1 409 ? 32.551 0.116 24.929 1.00 34.07 ? 409 GLN A OE1 1 ATOM 3271 N NE2 . GLN A 1 409 ? 31.540 -1.742 25.106 1.00 29.65 ? 409 GLN A NE2 1 ATOM 3272 N N . ASP A 1 410 ? 29.740 4.720 27.059 1.00 37.96 ? 410 ASP A N 1 ATOM 3273 C CA . ASP A 1 410 ? 30.069 5.803 27.991 1.00 38.71 ? 410 ASP A CA 1 ATOM 3274 C C . ASP A 1 410 ? 28.975 6.849 28.066 1.00 37.14 ? 410 ASP A C 1 ATOM 3275 O O . ASP A 1 410 ? 29.106 7.827 28.783 1.00 36.08 ? 410 ASP A O 1 ATOM 3276 C CB . ASP A 1 410 ? 31.285 6.609 27.539 1.00 41.26 ? 410 ASP A CB 1 ATOM 3277 C CG . ASP A 1 410 ? 32.616 6.081 27.998 1.00 45.90 ? 410 ASP A CG 1 ATOM 3278 O OD1 . ASP A 1 410 ? 32.899 6.106 29.207 1.00 47.19 ? 410 ASP A OD1 1 ATOM 3279 O OD2 . ASP A 1 410 ? 33.394 5.647 27.130 1.00 47.94 ? 410 ASP A OD2 1 ATOM 3280 N N . LYS A 1 411 ? 27.890 6.638 27.331 1.00 35.68 ? 411 LYS A N 1 ATOM 3281 C CA . LYS A 1 411 ? 26.753 7.562 27.318 1.00 34.76 ? 411 LYS A CA 1 ATOM 3282 C C . LYS A 1 411 ? 25.560 6.717 26.942 1.00 34.93 ? 411 LYS A C 1 ATOM 3283 O O . LYS A 1 411 ? 25.035 6.827 25.833 1.00 34.16 ? 411 LYS A O 1 ATOM 3284 C CB . LYS A 1 411 ? 26.936 8.651 26.245 1.00 34.25 ? 411 LYS A CB 1 ATOM 3285 C CG . LYS A 1 411 ? 28.134 9.576 26.429 1.00 34.17 ? 411 LYS A CG 1 ATOM 3286 C CD . LYS A 1 411 ? 28.141 10.632 25.337 1.00 36.64 ? 411 LYS A CD 1 ATOM 3287 C CE . LYS A 1 411 ? 29.265 11.644 25.555 1.00 35.95 ? 411 LYS A CE 1 ATOM 3288 N NZ . LYS A 1 411 ? 29.024 12.896 24.777 1.00 36.53 ? 411 LYS A NZ 1 ATOM 3289 N N . MET A 1 412 ? 25.110 5.877 27.861 1.00 35.34 ? 412 MET A N 1 ATOM 3290 C CA . MET A 1 412 ? 24.001 5.001 27.536 1.00 35.35 ? 412 MET A CA 1 ATOM 3291 C C . MET A 1 412 ? 22.616 5.609 27.368 1.00 35.45 ? 412 MET A C 1 ATOM 3292 O O . MET A 1 412 ? 22.060 5.614 26.259 1.00 35.34 ? 412 MET A O 1 ATOM 3293 C CB . MET A 1 412 ? 23.958 3.854 28.537 1.00 35.17 ? 412 MET A CB 1 ATOM 3294 C CG . MET A 1 412 ? 25.201 3.016 28.456 1.00 34.02 ? 412 MET A CG 1 ATOM 3295 S SD . MET A 1 412 ? 25.038 1.557 29.422 1.00 34.41 ? 412 MET A SD 1 ATOM 3296 C CE . MET A 1 412 ? 26.708 0.931 29.411 1.00 34.19 ? 412 MET A CE 1 ATOM 3297 N N . VAL A 1 413 ? 22.057 6.104 28.469 1.00 34.79 ? 413 VAL A N 1 ATOM 3298 C CA . VAL A 1 413 ? 20.732 6.721 28.439 1.00 34.49 ? 413 VAL A CA 1 ATOM 3299 C C . VAL A 1 413 ? 20.788 8.198 28.782 1.00 36.30 ? 413 VAL A C 1 ATOM 3300 O O . VAL A 1 413 ? 21.461 8.592 29.737 1.00 37.60 ? 413 VAL A O 1 ATOM 3301 C CB . VAL A 1 413 ? 19.779 6.046 29.420 1.00 34.49 ? 413 VAL A CB 1 ATOM 3302 C CG1 . VAL A 1 413 ? 18.393 6.695 29.315 1.00 30.82 ? 413 VAL A CG1 1 ATOM 3303 C CG2 . VAL A 1 413 ? 19.717 4.572 29.117 1.00 32.67 ? 413 VAL A CG2 1 ATOM 3304 N N . THR A 1 414 ? 20.064 9.014 28.022 1.00 37.17 ? 414 THR A N 1 ATOM 3305 C CA . THR A 1 414 ? 20.088 10.434 28.299 1.00 36.04 ? 414 THR A CA 1 ATOM 3306 C C . THR A 1 414 ? 19.323 10.782 29.545 1.00 34.98 ? 414 THR A C 1 ATOM 3307 O O . THR A 1 414 ? 18.273 10.217 29.818 1.00 34.12 ? 414 THR A O 1 ATOM 3308 C CB . THR A 1 414 ? 19.432 11.273 27.259 1.00 35.07 ? 414 THR A CB 1 ATOM 3309 O OG1 . THR A 1 414 ? 19.496 12.640 27.694 1.00 37.43 ? 414 THR A OG1 1 ATOM 3310 C CG2 . THR A 1 414 ? 17.950 10.856 27.080 1.00 37.14 ? 414 THR A CG2 1 ATOM 3311 N N . SER A 1 415 ? 19.840 11.751 30.283 1.00 34.77 ? 415 SER A N 1 ATOM 3312 C CA . SER A 1 415 ? 19.229 12.200 31.511 1.00 32.57 ? 415 SER A CA 1 ATOM 3313 C C . SER A 1 415 ? 17.779 12.635 31.356 1.00 32.79 ? 415 SER A C 1 ATOM 3314 O O . SER A 1 415 ? 17.081 12.748 32.347 1.00 33.35 ? 415 SER A O 1 ATOM 3315 C CB . SER A 1 415 ? 20.066 13.331 32.109 1.00 31.88 ? 415 SER A CB 1 ATOM 3316 O OG . SER A 1 415 ? 21.269 12.856 32.655 1.00 32.24 ? 415 SER A OG 1 ATOM 3317 N N . GLU A 1 416 ? 17.299 12.893 30.145 1.00 33.75 ? 416 GLU A N 1 ATOM 3318 C CA . GLU A 1 416 ? 15.901 13.302 30.042 1.00 33.50 ? 416 GLU A CA 1 ATOM 3319 C C . GLU A 1 416 ? 15.046 12.106 30.442 1.00 33.00 ? 416 GLU A C 1 ATOM 3320 O O . GLU A 1 416 ? 13.909 12.254 30.902 1.00 31.59 ? 416 GLU A O 1 ATOM 3321 C CB . GLU A 1 416 ? 15.563 13.766 28.621 1.00 35.91 ? 416 GLU A CB 1 ATOM 3322 C CG . GLU A 1 416 ? 16.368 14.990 28.148 1.00 38.12 ? 416 GLU A CG 1 ATOM 3323 C CD . GLU A 1 416 ? 16.121 16.262 28.955 1.00 39.47 ? 416 GLU A CD 1 ATOM 3324 O OE1 . GLU A 1 416 ? 16.998 16.655 29.752 1.00 40.31 ? 416 GLU A OE1 1 ATOM 3325 O OE2 . GLU A 1 416 ? 15.053 16.887 28.796 1.00 42.87 ? 416 GLU A OE2 1 ATOM 3326 N N . LEU A 1 417 ? 15.619 10.918 30.272 1.00 31.90 ? 417 LEU A N 1 ATOM 3327 C CA . LEU A 1 417 ? 14.941 9.677 30.616 1.00 30.45 ? 417 LEU A CA 1 ATOM 3328 C C . LEU A 1 417 ? 15.526 9.102 31.909 1.00 30.69 ? 417 LEU A C 1 ATOM 3329 O O . LEU A 1 417 ? 14.847 8.408 32.666 1.00 29.19 ? 417 LEU A O 1 ATOM 3330 C CB . LEU A 1 417 ? 15.153 8.628 29.532 1.00 29.05 ? 417 LEU A CB 1 ATOM 3331 C CG . LEU A 1 417 ? 14.463 8.604 28.168 1.00 28.93 ? 417 LEU A CG 1 ATOM 3332 C CD1 . LEU A 1 417 ? 15.008 7.431 27.364 1.00 27.80 ? 417 LEU A CD1 1 ATOM 3333 C CD2 . LEU A 1 417 ? 12.967 8.473 28.376 1.00 26.74 ? 417 LEU A CD2 1 ATOM 3334 N N . ARG A 1 418 ? 16.799 9.379 32.161 1.00 31.49 ? 418 ARG A N 1 ATOM 3335 C CA . ARG A 1 418 ? 17.472 8.839 33.333 1.00 34.36 ? 418 ARG A CA 1 ATOM 3336 C C . ARG A 1 418 ? 17.332 9.533 34.700 1.00 35.74 ? 418 ARG A C 1 ATOM 3337 O O . ARG A 1 418 ? 17.535 8.883 35.717 1.00 35.48 ? 418 ARG A O 1 ATOM 3338 C CB . ARG A 1 418 ? 18.956 8.654 33.021 1.00 32.98 ? 418 ARG A CB 1 ATOM 3339 C CG . ARG A 1 418 ? 19.604 7.615 33.867 1.00 34.73 ? 418 ARG A CG 1 ATOM 3340 C CD . ARG A 1 418 ? 21.094 7.578 33.615 1.00 35.05 ? 418 ARG A CD 1 ATOM 3341 N NE . ARG A 1 418 ? 21.798 8.536 34.450 1.00 37.07 ? 418 ARG A NE 1 ATOM 3342 C CZ . ARG A 1 418 ? 21.824 8.487 35.776 1.00 37.65 ? 418 ARG A CZ 1 ATOM 3343 N NH1 . ARG A 1 418 ? 21.179 7.526 36.421 1.00 39.07 ? 418 ARG A NH1 1 ATOM 3344 N NH2 . ARG A 1 418 ? 22.515 9.388 36.461 1.00 40.02 ? 418 ARG A NH2 1 ATOM 3345 N N . ASN A 1 419 ? 17.038 10.835 34.725 1.00 35.62 ? 419 ASN A N 1 ATOM 3346 C CA . ASN A 1 419 ? 16.885 11.582 35.989 1.00 37.62 ? 419 ASN A CA 1 ATOM 3347 C C . ASN A 1 419 ? 15.609 12.392 35.942 1.00 38.26 ? 419 ASN A C 1 ATOM 3348 O O . ASN A 1 419 ? 15.111 12.866 36.971 1.00 39.25 ? 419 ASN A O 1 ATOM 3349 C CB . ASN A 1 419 ? 17.992 12.618 36.193 1.00 38.60 ? 419 ASN A CB 1 ATOM 3350 C CG . ASN A 1 419 ? 19.313 12.022 36.625 1.00 37.28 ? 419 ASN A CG 1 ATOM 3351 O OD1 . ASN A 1 419 ? 19.409 11.365 37.653 1.00 40.10 ? 419 ASN A OD1 1 ATOM 3352 N ND2 . ASN A 1 419 ? 20.352 12.294 35.855 1.00 36.36 ? 419 ASN A ND2 1 ATOM 3353 N N . LYS A 1 420 ? 15.097 12.566 34.730 1.00 38.73 ? 420 LYS A N 1 ATOM 3354 C CA . LYS A 1 420 ? 13.916 13.378 34.508 1.00 37.16 ? 420 LYS A CA 1 ATOM 3355 C C . LYS A 1 420 ? 12.723 12.730 33.815 1.00 38.43 ? 420 LYS A C 1 ATOM 3356 O O . LYS A 1 420 ? 12.033 13.398 33.054 1.00 39.63 ? 420 LYS A O 1 ATOM 3357 C CB . LYS A 1 420 ? 14.325 14.606 33.704 1.00 35.95 ? 420 LYS A CB 1 ATOM 3358 C CG . LYS A 1 420 ? 15.527 15.378 34.211 1.00 34.66 ? 420 LYS A CG 1 ATOM 3359 C CD . LYS A 1 420 ? 15.674 16.619 33.350 1.00 31.62 ? 420 LYS A CD 1 ATOM 3360 C CE . LYS A 1 420 ? 16.494 17.687 34.025 1.00 29.98 ? 420 LYS A CE 1 ATOM 3361 N NZ . LYS A 1 420 ? 16.831 18.756 33.047 1.00 29.65 ? 420 LYS A NZ 1 ATOM 3362 N N . LEU A 1 421 ? 12.464 11.452 34.060 1.00 39.15 ? 421 LEU A N 1 ATOM 3363 C CA . LEU A 1 421 ? 11.317 10.802 33.428 1.00 39.20 ? 421 LEU A CA 1 ATOM 3364 C C . LEU A 1 421 ? 10.035 11.105 34.175 1.00 39.75 ? 421 LEU A C 1 ATOM 3365 O O . LEU A 1 421 ? 10.040 11.228 35.405 1.00 40.79 ? 421 LEU A O 1 ATOM 3366 C CB . LEU A 1 421 ? 11.485 9.276 33.403 1.00 38.37 ? 421 LEU A CB 1 ATOM 3367 C CG . LEU A 1 421 ? 10.206 8.538 32.933 1.00 38.98 ? 421 LEU A CG 1 ATOM 3368 C CD1 . LEU A 1 421 ? 10.067 8.699 31.438 1.00 38.04 ? 421 LEU A CD1 1 ATOM 3369 C CD2 . LEU A 1 421 ? 10.232 7.064 33.348 1.00 36.21 ? 421 LEU A CD2 1 ATOM 3370 N N . PHE A 1 422 ? 8.935 11.228 33.439 1.00 40.28 ? 422 PHE A N 1 ATOM 3371 C CA . PHE A 1 422 ? 7.660 11.450 34.088 1.00 41.07 ? 422 PHE A CA 1 ATOM 3372 C C . PHE A 1 422 ? 6.866 10.154 34.050 1.00 41.55 ? 422 PHE A C 1 ATOM 3373 O O . PHE A 1 422 ? 6.786 9.497 33.016 1.00 40.52 ? 422 PHE A O 1 ATOM 3374 C CB . PHE A 1 422 ? 6.847 12.540 33.402 1.00 40.87 ? 422 PHE A CB 1 ATOM 3375 C CG . PHE A 1 422 ? 5.540 12.804 34.072 1.00 40.70 ? 422 PHE A CG 1 ATOM 3376 C CD1 . PHE A 1 422 ? 5.491 13.524 35.264 1.00 43.25 ? 422 PHE A CD1 1 ATOM 3377 C CD2 . PHE A 1 422 ? 4.359 12.278 33.557 1.00 41.79 ? 422 PHE A CD2 1 ATOM 3378 C CE1 . PHE A 1 422 ? 4.282 13.725 35.932 1.00 42.52 ? 422 PHE A CE1 1 ATOM 3379 C CE2 . PHE A 1 422 ? 3.146 12.461 34.228 1.00 42.79 ? 422 PHE A CE2 1 ATOM 3380 C CZ . PHE A 1 422 ? 3.108 13.188 35.419 1.00 41.69 ? 422 PHE A CZ 1 ATOM 3381 N N . GLN A 1 423 ? 6.290 9.789 35.190 1.00 43.57 ? 423 GLN A N 1 ATOM 3382 C CA . GLN A 1 423 ? 5.479 8.575 35.298 1.00 46.39 ? 423 GLN A CA 1 ATOM 3383 C C . GLN A 1 423 ? 4.039 8.918 35.641 1.00 46.53 ? 423 GLN A C 1 ATOM 3384 O O . GLN A 1 423 ? 3.770 9.514 36.682 1.00 47.54 ? 423 GLN A O 1 ATOM 3385 C CB . GLN A 1 423 ? 6.048 7.649 36.364 1.00 46.84 ? 423 GLN A CB 1 ATOM 3386 C CG . GLN A 1 423 ? 7.348 6.987 35.946 1.00 47.69 ? 423 GLN A CG 1 ATOM 3387 C CD . GLN A 1 423 ? 7.148 5.835 34.995 1.00 49.16 ? 423 GLN A CD 1 ATOM 3388 O OE1 . GLN A 1 423 ? 6.888 4.724 35.422 1.00 50.78 ? 423 GLN A OE1 1 ATOM 3389 N NE2 . GLN A 1 423 ? 7.280 6.091 33.702 1.00 52.02 ? 423 GLN A NE2 1 ATOM 3390 N N . PRO A 1 424 ? 3.099 8.547 34.766 1.00 47.05 ? 424 PRO A N 1 ATOM 3391 C CA . PRO A 1 424 ? 1.689 8.825 34.985 1.00 47.82 ? 424 PRO A CA 1 ATOM 3392 C C . PRO A 1 424 ? 1.153 9.147 36.375 1.00 48.62 ? 424 PRO A C 1 ATOM 3393 O O . PRO A 1 424 ? 0.233 9.959 36.457 1.00 50.26 ? 424 PRO A O 1 ATOM 3394 C CB . PRO A 1 424 ? 1.013 7.644 34.297 1.00 47.93 ? 424 PRO A CB 1 ATOM 3395 C CG . PRO A 1 424 ? 1.828 7.597 33.006 1.00 45.95 ? 424 PRO A CG 1 ATOM 3396 C CD . PRO A 1 424 ? 3.283 7.777 33.517 1.00 46.57 ? 424 PRO A CD 1 ATOM 3397 N N . THR A 1 425 ? 1.628 8.589 37.477 1.00 49.29 ? 425 THR A N 1 ATOM 3398 C CA . THR A 1 425 ? 0.971 9.090 38.662 1.00 49.95 ? 425 THR A CA 1 ATOM 3399 C C . THR A 1 425 ? 1.901 9.748 39.662 1.00 50.18 ? 425 THR A C 1 ATOM 3400 O O . THR A 1 425 ? 1.448 10.210 40.711 1.00 47.77 ? 425 THR A O 1 ATOM 3401 C CB . THR A 1 425 ? 0.071 8.017 39.362 1.00 50.53 ? 425 THR A CB 1 ATOM 3402 O OG1 . THR A 1 425 ? -1.144 7.868 38.614 1.00 49.10 ? 425 THR A OG1 1 ATOM 3403 C CG2 . THR A 1 425 ? -0.307 8.464 40.802 1.00 50.70 ? 425 THR A CG2 1 ATOM 3404 N N . HIS A 1 426 ? 3.179 9.909 39.326 1.00 51.05 ? 426 HIS A N 1 ATOM 3405 C CA . HIS A 1 426 ? 4.091 10.476 40.314 1.00 51.66 ? 426 HIS A CA 1 ATOM 3406 C C . HIS A 1 426 ? 4.612 11.934 40.241 1.00 50.58 ? 426 HIS A C 1 ATOM 3407 O O . HIS A 1 426 ? 5.749 12.210 40.571 1.00 49.69 ? 426 HIS A O 1 ATOM 3408 C CB . HIS A 1 426 ? 5.216 9.457 40.486 1.00 53.17 ? 426 HIS A CB 1 ATOM 3409 C CG . HIS A 1 426 ? 4.706 8.058 40.669 1.00 55.08 ? 426 HIS A CG 1 ATOM 3410 N ND1 . HIS A 1 426 ? 4.677 7.426 41.895 1.00 56.23 ? 426 HIS A ND1 1 ATOM 3411 C CD2 . HIS A 1 426 ? 4.107 7.212 39.795 1.00 55.46 ? 426 HIS A CD2 1 ATOM 3412 C CE1 . HIS A 1 426 ? 4.079 6.253 41.768 1.00 55.44 ? 426 HIS A CE1 1 ATOM 3413 N NE2 . HIS A 1 426 ? 3.723 6.100 40.505 1.00 55.44 ? 426 HIS A NE2 1 ATOM 3414 N N . LYS A 1 427 ? 3.733 12.845 39.825 1.00 50.55 ? 427 LYS A N 1 ATOM 3415 C CA . LYS A 1 427 ? 3.947 14.311 39.726 1.00 51.08 ? 427 LYS A CA 1 ATOM 3416 C C . LYS A 1 427 ? 5.259 15.042 39.366 1.00 50.26 ? 427 LYS A C 1 ATOM 3417 O O . LYS A 1 427 ? 5.214 16.195 38.917 1.00 50.67 ? 427 LYS A O 1 ATOM 3418 C CB . LYS A 1 427 ? 3.393 14.992 40.989 1.00 50.80 ? 427 LYS A CB 1 ATOM 3419 C CG . LYS A 1 427 ? 3.908 14.394 42.291 1.00 52.94 ? 427 LYS A CG 1 ATOM 3420 C CD . LYS A 1 427 ? 2.972 13.326 42.890 1.00 53.67 ? 427 LYS A CD 1 ATOM 3421 C CE . LYS A 1 427 ? 1.933 13.953 43.811 1.00 54.47 ? 427 LYS A CE 1 ATOM 3422 N NZ . LYS A 1 427 ? 1.366 12.949 44.768 1.00 55.19 ? 427 LYS A NZ 1 ATOM 3423 N N . ILE A 1 428 ? 6.409 14.419 39.562 1.00 48.51 ? 428 ILE A N 1 ATOM 3424 C CA . ILE A 1 428 ? 7.653 15.098 39.257 1.00 46.57 ? 428 ILE A CA 1 ATOM 3425 C C . ILE A 1 428 ? 8.293 14.599 37.953 1.00 46.02 ? 428 ILE A C 1 ATOM 3426 O O . ILE A 1 428 ? 8.026 13.477 37.494 1.00 46.29 ? 428 ILE A O 1 ATOM 3427 C CB . ILE A 1 428 ? 8.645 14.919 40.448 1.00 46.70 ? 428 ILE A CB 1 ATOM 3428 C CG1 . ILE A 1 428 ? 8.645 13.448 40.891 1.00 46.85 ? 428 ILE A CG1 1 ATOM 3429 C CG2 . ILE A 1 428 ? 8.227 15.783 41.621 1.00 45.69 ? 428 ILE A CG2 1 ATOM 3430 C CD1 . ILE A 1 428 ? 9.667 13.090 41.968 1.00 46.67 ? 428 ILE A CD1 1 ATOM 3431 N N . HIS A 1 429 ? 9.074 15.441 37.292 1.00 43.16 ? 429 HIS A N 1 ATOM 3432 C CA . HIS A 1 429 ? 9.778 14.923 36.123 1.00 40.41 ? 429 HIS A CA 1 ATOM 3433 C C . HIS A 1 429 ? 11.066 14.455 36.797 1.00 41.04 ? 429 HIS A C 1 ATOM 3434 O O . HIS A 1 429 ? 12.138 15.039 36.598 1.00 38.29 ? 429 HIS A O 1 ATOM 3435 C CB . HIS A 1 429 ? 10.050 16.025 35.080 1.00 37.26 ? 429 HIS A CB 1 ATOM 3436 C CG . HIS A 1 429 ? 8.935 16.197 34.102 1.00 36.40 ? 429 HIS A CG 1 ATOM 3437 N ND1 . HIS A 1 429 ? 7.702 16.697 34.466 1.00 38.29 ? 429 HIS A ND1 1 ATOM 3438 C CD2 . HIS A 1 429 ? 8.826 15.837 32.802 1.00 36.37 ? 429 HIS A CD2 1 ATOM 3439 C CE1 . HIS A 1 429 ? 6.880 16.632 33.435 1.00 35.94 ? 429 HIS A CE1 1 ATOM 3440 N NE2 . HIS A 1 429 ? 7.536 16.111 32.412 1.00 36.60 ? 429 HIS A NE2 1 ATOM 3441 N N . GLY A 1 430 ? 10.962 13.404 37.614 1.00 41.64 ? 430 GLY A N 1 ATOM 3442 C CA . GLY A 1 430 ? 12.151 12.963 38.313 1.00 43.24 ? 430 GLY A CA 1 ATOM 3443 C C . GLY A 1 430 ? 12.575 11.508 38.317 1.00 43.19 ? 430 GLY A C 1 ATOM 3444 O O . GLY A 1 430 ? 13.459 11.140 39.088 1.00 42.88 ? 430 GLY A O 1 ATOM 3445 N N . PHE A 1 431 ? 12.001 10.676 37.460 1.00 44.43 ? 431 PHE A N 1 ATOM 3446 C CA . PHE A 1 431 ? 12.356 9.255 37.463 1.00 45.04 ? 431 PHE A CA 1 ATOM 3447 C C . PHE A 1 431 ? 13.478 8.801 36.518 1.00 43.25 ? 431 PHE A C 1 ATOM 3448 O O . PHE A 1 431 ? 14.059 9.613 35.789 1.00 44.67 ? 431 PHE A O 1 ATOM 3449 C CB . PHE A 1 431 ? 11.074 8.439 37.252 1.00 48.00 ? 431 PHE A CB 1 ATOM 3450 C CG . PHE A 1 431 ? 10.093 8.587 38.363 1.00 50.69 ? 431 PHE A CG 1 ATOM 3451 C CD1 . PHE A 1 431 ? 9.900 9.816 38.984 1.00 51.74 ? 431 PHE A CD1 1 ATOM 3452 C CD2 . PHE A 1 431 ? 9.363 7.495 38.793 1.00 53.31 ? 431 PHE A CD2 1 ATOM 3453 C CE1 . PHE A 1 431 ? 8.989 9.965 40.029 1.00 52.12 ? 431 PHE A CE1 1 ATOM 3454 C CE2 . PHE A 1 431 ? 8.452 7.625 39.833 1.00 53.55 ? 431 PHE A CE2 1 ATOM 3455 C CZ . PHE A 1 431 ? 8.262 8.867 40.458 1.00 52.70 ? 431 PHE A CZ 1 ATOM 3456 N N . ASP A 1 432 ? 13.770 7.501 36.560 1.00 39.43 ? 432 ASP A N 1 ATOM 3457 C CA . ASP A 1 432 ? 14.832 6.936 35.757 1.00 38.12 ? 432 ASP A CA 1 ATOM 3458 C C . ASP A 1 432 ? 14.430 5.659 35.047 1.00 37.55 ? 432 ASP A C 1 ATOM 3459 O O . ASP A 1 432 ? 14.035 4.663 35.668 1.00 37.47 ? 432 ASP A O 1 ATOM 3460 C CB . ASP A 1 432 ? 16.054 6.685 36.638 1.00 37.97 ? 432 ASP A CB 1 ATOM 3461 C CG . ASP A 1 432 ? 17.190 5.966 35.906 1.00 38.11 ? 432 ASP A CG 1 ATOM 3462 O OD1 . ASP A 1 432 ? 17.126 5.757 34.678 1.00 35.69 ? 432 ASP A OD1 1 ATOM 3463 O OD2 . ASP A 1 432 ? 18.153 5.611 36.595 1.00 40.88 ? 432 ASP A OD2 1 ATOM 3464 N N . LEU A 1 433 ? 14.523 5.698 33.725 1.00 35.66 ? 433 LEU A N 1 ATOM 3465 C CA . LEU A 1 433 ? 14.175 4.542 32.929 1.00 34.71 ? 433 LEU A CA 1 ATOM 3466 C C . LEU A 1 433 ? 15.245 3.446 33.031 1.00 33.45 ? 433 LEU A C 1 ATOM 3467 O O . LEU A 1 433 ? 14.927 2.262 32.927 1.00 35.18 ? 433 LEU A O 1 ATOM 3468 C CB . LEU A 1 433 ? 13.953 4.978 31.483 1.00 34.24 ? 433 LEU A CB 1 ATOM 3469 C CG . LEU A 1 433 ? 13.256 3.992 30.548 1.00 33.44 ? 433 LEU A CG 1 ATOM 3470 C CD1 . LEU A 1 433 ? 11.954 3.532 31.183 1.00 34.18 ? 433 LEU A CD1 1 ATOM 3471 C CD2 . LEU A 1 433 ? 12.994 4.646 29.208 1.00 30.68 ? 433 LEU A CD2 1 ATOM 3472 N N . ALA A 1 434 ? 16.496 3.821 33.274 1.00 31.37 ? 434 ALA A N 1 ATOM 3473 C CA . ALA A 1 434 ? 17.530 2.798 33.401 1.00 30.42 ? 434 ALA A CA 1 ATOM 3474 C C . ALA A 1 434 ? 17.309 1.945 34.664 1.00 28.76 ? 434 ALA A C 1 ATOM 3475 O O . ALA A 1 434 ? 17.223 0.720 34.590 1.00 27.62 ? 434 ALA A O 1 ATOM 3476 C CB . ALA A 1 434 ? 18.907 3.444 33.438 1.00 29.90 ? 434 ALA A CB 1 ATOM 3477 N N . ALA A 1 435 ? 17.248 2.594 35.821 1.00 29.85 ? 435 ALA A N 1 ATOM 3478 C CA . ALA A 1 435 ? 17.012 1.898 37.085 1.00 30.72 ? 435 ALA A CA 1 ATOM 3479 C C . ALA A 1 435 ? 15.806 0.998 36.944 1.00 32.02 ? 435 ALA A C 1 ATOM 3480 O O . ALA A 1 435 ? 15.816 -0.167 37.320 1.00 31.87 ? 435 ALA A O 1 ATOM 3481 C CB . ALA A 1 435 ? 16.835 2.878 38.235 1.00 31.94 ? 435 ALA A CB 1 ATOM 3482 N N . ILE A 1 436 ? 14.764 1.555 36.354 1.00 31.21 ? 436 ILE A N 1 ATOM 3483 C CA . ILE A 1 436 ? 13.472 0.850 36.222 1.00 30.83 ? 436 ILE A CA 1 ATOM 3484 C C . ILE A 1 436 ? 13.579 -0.363 35.333 1.00 31.52 ? 436 ILE A C 1 ATOM 3485 O O . ILE A 1 436 ? 12.947 -1.380 35.575 1.00 32.67 ? 436 ILE A O 1 ATOM 3486 C CB . ILE A 1 436 ? 12.423 1.742 35.541 1.00 32.98 ? 436 ILE A CB 1 ATOM 3487 C CG1 . ILE A 1 436 ? 11.852 2.768 36.511 1.00 32.83 ? 436 ILE A CG1 1 ATOM 3488 C CG2 . ILE A 1 436 ? 11.302 0.890 34.972 1.00 31.58 ? 436 ILE A CG2 1 ATOM 3489 C CD1 . ILE A 1 436 ? 10.721 3.586 35.926 1.00 36.96 ? 436 ILE A CD1 1 ATOM 3490 N N . ASN A 1 437 ? 14.353 -0.203 34.322 1.00 31.18 ? 437 ASN A N 1 ATOM 3491 C CA . ASN A 1 437 ? 14.564 -1.281 33.451 1.00 32.01 ? 437 ASN A CA 1 ATOM 3492 C C . ASN A 1 437 ? 15.198 -2.414 34.241 1.00 31.77 ? 437 ASN A C 1 ATOM 3493 O O . ASN A 1 437 ? 14.804 -3.578 34.122 1.00 34.07 ? 437 ASN A O 1 ATOM 3494 C CB . ASN A 1 437 ? 15.488 -0.891 32.298 1.00 28.21 ? 437 ASN A CB 1 ATOM 3495 C CG . ASN A 1 437 ? 14.746 -0.272 31.155 1.00 25.40 ? 437 ASN A CG 1 ATOM 3496 O OD1 . ASN A 1 437 ? 15.346 0.087 30.130 1.00 22.74 ? 437 ASN A OD1 1 ATOM 3497 N ND2 . ASN A 1 437 ? 13.435 -0.129 31.316 1.00 23.57 ? 437 ASN A ND2 1 ATOM 3498 N N . LEU A 1 438 ? 16.215 -2.109 35.049 1.00 32.08 ? 438 LEU A N 1 ATOM 3499 C CA . LEU A 1 438 ? 16.971 -3.081 35.841 1.00 32.22 ? 438 LEU A CA 1 ATOM 3500 C C . LEU A 1 438 ? 16.145 -3.710 36.966 1.00 33.00 ? 438 LEU A C 1 ATOM 3501 O O . LEU A 1 438 ? 16.219 -4.926 37.178 1.00 34.11 ? 438 LEU A O 1 ATOM 3502 C CB . LEU A 1 438 ? 18.220 -2.415 36.429 1.00 31.83 ? 438 LEU A CB 1 ATOM 3503 C CG . LEU A 1 438 ? 19.205 -2.003 35.357 1.00 31.13 ? 438 LEU A CG 1 ATOM 3504 C CD1 . LEU A 1 438 ? 20.329 -1.181 35.960 1.00 30.96 ? 438 LEU A CD1 1 ATOM 3505 C CD2 . LEU A 1 438 ? 19.766 -3.236 34.660 1.00 31.59 ? 438 LEU A CD2 1 ATOM 3506 N N . GLN A 1 439 ? 15.361 -2.915 37.689 1.00 33.15 ? 439 GLN A N 1 ATOM 3507 C CA . GLN A 1 439 ? 14.533 -3.433 38.765 1.00 33.76 ? 439 GLN A CA 1 ATOM 3508 C C . GLN A 1 439 ? 13.563 -4.455 38.167 1.00 33.83 ? 439 GLN A C 1 ATOM 3509 O O . GLN A 1 439 ? 13.257 -5.467 38.789 1.00 32.66 ? 439 GLN A O 1 ATOM 3510 C CB . GLN A 1 439 ? 13.737 -2.288 39.418 1.00 33.36 ? 439 GLN A CB 1 ATOM 3511 C CG . GLN A 1 439 ? 13.165 -2.649 40.773 1.00 34.48 ? 439 GLN A CG 1 ATOM 3512 C CD . GLN A 1 439 ? 14.229 -2.613 41.871 1.00 37.31 ? 439 GLN A CD 1 ATOM 3513 O OE1 . GLN A 1 439 ? 15.424 -2.785 41.611 1.00 39.31 ? 439 GLN A OE1 1 ATOM 3514 N NE2 . GLN A 1 439 ? 13.796 -2.395 43.105 1.00 37.71 ? 439 GLN A NE2 1 ATOM 3515 N N . ARG A 1 440 ? 13.110 -4.187 36.941 1.00 34.34 ? 440 ARG A N 1 ATOM 3516 C CA . ARG A 1 440 ? 12.146 -5.039 36.243 1.00 35.28 ? 440 ARG A CA 1 ATOM 3517 C C . ARG A 1 440 ? 12.682 -6.388 35.720 1.00 34.80 ? 440 ARG A C 1 ATOM 3518 O O . ARG A 1 440 ? 11.933 -7.344 35.675 1.00 36.21 ? 440 ARG A O 1 ATOM 3519 C CB . ARG A 1 440 ? 11.493 -4.237 35.090 1.00 38.05 ? 440 ARG A CB 1 ATOM 3520 C CG . ARG A 1 440 ? 10.210 -4.855 34.483 1.00 39.31 ? 440 ARG A CG 1 ATOM 3521 C CD . ARG A 1 440 ? 8.958 -4.585 35.322 1.00 39.11 ? 440 ARG A CD 1 ATOM 3522 N NE . ARG A 1 440 ? 8.450 -3.207 35.222 1.00 40.85 ? 440 ARG A NE 1 ATOM 3523 C CZ . ARG A 1 440 ? 7.732 -2.601 36.171 1.00 40.85 ? 440 ARG A CZ 1 ATOM 3524 N NH1 . ARG A 1 440 ? 7.451 -3.253 37.297 1.00 39.95 ? 440 ARG A NH1 1 ATOM 3525 N NH2 . ARG A 1 440 ? 7.275 -1.365 35.987 1.00 38.01 ? 440 ARG A NH2 1 ATOM 3526 N N . CYS A 1 441 ? 13.947 -6.477 35.306 1.00 34.40 ? 441 CYS A N 1 ATOM 3527 C CA . CYS A 1 441 ? 14.467 -7.777 34.838 1.00 33.98 ? 441 CYS A CA 1 ATOM 3528 C C . CYS A 1 441 ? 14.359 -8.732 36.010 1.00 32.55 ? 441 CYS A C 1 ATOM 3529 O O . CYS A 1 441 ? 14.098 -9.932 35.862 1.00 29.10 ? 441 CYS A O 1 ATOM 3530 C CB . CYS A 1 441 ? 15.944 -7.753 34.443 1.00 35.02 ? 441 CYS A CB 1 ATOM 3531 S SG . CYS A 1 441 ? 16.372 -6.889 32.921 1.00 40.85 ? 441 CYS A SG 1 ATOM 3532 N N . ARG A 1 442 ? 14.603 -8.176 37.189 1.00 33.38 ? 442 ARG A N 1 ATOM 3533 C CA . ARG A 1 442 ? 14.526 -8.920 38.426 1.00 33.16 ? 442 ARG A CA 1 ATOM 3534 C C . ARG A 1 442 ? 13.050 -9.235 38.667 1.00 32.99 ? 442 ARG A C 1 ATOM 3535 O O . ARG A 1 442 ? 12.700 -10.393 38.845 1.00 32.29 ? 442 ARG A O 1 ATOM 3536 C CB . ARG A 1 442 ? 15.161 -8.092 39.572 1.00 34.37 ? 442 ARG A CB 1 ATOM 3537 C CG . ARG A 1 442 ? 16.636 -7.760 39.302 1.00 30.65 ? 442 ARG A CG 1 ATOM 3538 C CD . ARG A 1 442 ? 17.368 -6.964 40.375 1.00 31.39 ? 442 ARG A CD 1 ATOM 3539 N NE . ARG A 1 442 ? 18.708 -6.556 39.913 1.00 31.51 ? 442 ARG A NE 1 ATOM 3540 C CZ . ARG A 1 442 ? 19.496 -5.670 40.534 1.00 30.28 ? 442 ARG A CZ 1 ATOM 3541 N NH1 . ARG A 1 442 ? 19.104 -5.087 41.662 1.00 29.57 ? 442 ARG A NH1 1 ATOM 3542 N NH2 . ARG A 1 442 ? 20.664 -5.319 40.003 1.00 29.25 ? 442 ARG A NH2 1 ATOM 3543 N N . ASP A 1 443 ? 12.186 -8.219 38.631 1.00 33.27 ? 443 ASP A N 1 ATOM 3544 C CA . ASP A 1 443 ? 10.752 -8.432 38.819 1.00 32.66 ? 443 ASP A CA 1 ATOM 3545 C C . ASP A 1 443 ? 10.267 -9.605 37.956 1.00 31.08 ? 443 ASP A C 1 ATOM 3546 O O . ASP A 1 443 ? 9.558 -10.492 38.434 1.00 31.45 ? 443 ASP A O 1 ATOM 3547 C CB . ASP A 1 443 ? 9.976 -7.180 38.429 1.00 34.30 ? 443 ASP A CB 1 ATOM 3548 C CG . ASP A 1 443 ? 8.461 -7.371 38.527 1.00 38.22 ? 443 ASP A CG 1 ATOM 3549 O OD1 . ASP A 1 443 ? 8.018 -8.314 39.233 1.00 38.96 ? 443 ASP A OD1 1 ATOM 3550 O OD2 . ASP A 1 443 ? 7.748 -6.564 37.897 1.00 37.39 ? 443 ASP A OD2 1 ATOM 3551 N N . HIS A 1 444 ? 10.658 -9.597 36.682 1.00 30.13 ? 444 HIS A N 1 ATOM 3552 C CA . HIS A 1 444 ? 10.292 -10.666 35.759 1.00 30.56 ? 444 HIS A CA 1 ATOM 3553 C C . HIS A 1 444 ? 11.126 -11.914 35.976 1.00 29.73 ? 444 HIS A C 1 ATOM 3554 O O . HIS A 1 444 ? 11.057 -12.858 35.191 1.00 28.92 ? 444 HIS A O 1 ATOM 3555 C CB . HIS A 1 444 ? 10.466 -10.240 34.300 1.00 31.33 ? 444 HIS A CB 1 ATOM 3556 C CG . HIS A 1 444 ? 9.321 -9.430 33.757 1.00 31.33 ? 444 HIS A CG 1 ATOM 3557 N ND1 . HIS A 1 444 ? 8.750 -9.678 32.526 1.00 32.22 ? 444 HIS A ND1 1 ATOM 3558 C CD2 . HIS A 1 444 ? 8.750 -8.290 34.207 1.00 28.55 ? 444 HIS A CD2 1 ATOM 3559 C CE1 . HIS A 1 444 ? 7.892 -8.718 32.233 1.00 32.07 ? 444 HIS A CE1 1 ATOM 3560 N NE2 . HIS A 1 444 ? 7.875 -7.861 33.237 1.00 32.35 ? 444 HIS A NE2 1 ATOM 3561 N N . GLY A 1 445 ? 11.930 -11.913 37.034 1.00 30.35 ? 445 GLY A N 1 ATOM 3562 C CA . GLY A 1 445 ? 12.781 -13.051 37.327 1.00 26.71 ? 445 GLY A CA 1 ATOM 3563 C C . GLY A 1 445 ? 13.674 -13.459 36.176 1.00 27.84 ? 445 GLY A C 1 ATOM 3564 O O . GLY A 1 445 ? 13.711 -14.612 35.794 1.00 29.01 ? 445 GLY A O 1 ATOM 3565 N N . MET A 1 446 ? 14.423 -12.501 35.629 1.00 27.66 ? 446 MET A N 1 ATOM 3566 C CA . MET A 1 446 ? 15.296 -12.832 34.500 1.00 30.81 ? 446 MET A CA 1 ATOM 3567 C C . MET A 1 446 ? 16.528 -13.641 34.851 1.00 31.66 ? 446 MET A C 1 ATOM 3568 O O . MET A 1 446 ? 17.079 -13.539 35.963 1.00 29.58 ? 446 MET A O 1 ATOM 3569 C CB . MET A 1 446 ? 15.764 -11.621 33.734 1.00 33.28 ? 446 MET A CB 1 ATOM 3570 C CG . MET A 1 446 ? 14.724 -10.955 32.827 1.00 32.58 ? 446 MET A CG 1 ATOM 3571 S SD . MET A 1 446 ? 14.102 -11.908 31.433 1.00 35.94 ? 446 MET A SD 1 ATOM 3572 C CE . MET A 1 446 ? 12.980 -12.989 32.279 1.00 33.18 ? 446 MET A CE 1 ATOM 3573 N N . PRO A 1 447 ? 16.984 -14.479 33.900 1.00 33.01 ? 447 PRO A N 1 ATOM 3574 C CA . PRO A 1 447 ? 18.178 -15.312 34.114 1.00 32.84 ? 447 PRO A CA 1 ATOM 3575 C C . PRO A 1 447 ? 19.296 -14.313 33.820 1.00 34.36 ? 447 PRO A C 1 ATOM 3576 O O . PRO A 1 447 ? 19.113 -13.326 33.090 1.00 32.94 ? 447 PRO A O 1 ATOM 3577 C CB . PRO A 1 447 ? 18.064 -16.349 33.024 1.00 32.27 ? 447 PRO A CB 1 ATOM 3578 C CG . PRO A 1 447 ? 16.583 -16.518 32.937 1.00 30.75 ? 447 PRO A CG 1 ATOM 3579 C CD . PRO A 1 447 ? 16.104 -15.114 32.908 1.00 32.16 ? 447 PRO A CD 1 ATOM 3580 N N . GLY A 1 448 ? 20.462 -14.516 34.396 1.00 34.36 ? 448 GLY A N 1 ATOM 3581 C CA . GLY A 1 448 ? 21.544 -13.584 34.150 1.00 35.51 ? 448 GLY A CA 1 ATOM 3582 C C . GLY A 1 448 ? 22.001 -13.558 32.713 1.00 37.10 ? 448 GLY A C 1 ATOM 3583 O O . GLY A 1 448 ? 21.497 -14.284 31.865 1.00 36.50 ? 448 GLY A O 1 ATOM 3584 N N . TYR A 1 449 ? 22.965 -12.680 32.471 1.00 37.14 ? 449 TYR A N 1 ATOM 3585 C CA . TYR A 1 449 ? 23.588 -12.446 31.180 1.00 36.77 ? 449 TYR A CA 1 ATOM 3586 C C . TYR A 1 449 ? 24.266 -13.703 30.610 1.00 36.42 ? 449 TYR A C 1 ATOM 3587 O O . TYR A 1 449 ? 24.149 -13.994 29.408 1.00 36.31 ? 449 TYR A O 1 ATOM 3588 C CB . TYR A 1 449 ? 24.586 -11.294 31.382 1.00 38.16 ? 449 TYR A CB 1 ATOM 3589 C CG . TYR A 1 449 ? 25.548 -10.970 30.251 1.00 37.98 ? 449 TYR A CG 1 ATOM 3590 C CD1 . TYR A 1 449 ? 25.111 -10.386 29.060 1.00 38.54 ? 449 TYR A CD1 1 ATOM 3591 C CD2 . TYR A 1 449 ? 26.904 -11.197 30.400 1.00 36.98 ? 449 TYR A CD2 1 ATOM 3592 C CE1 . TYR A 1 449 ? 26.016 -10.038 28.042 1.00 36.77 ? 449 TYR A CE1 1 ATOM 3593 C CE2 . TYR A 1 449 ? 27.805 -10.857 29.396 1.00 38.16 ? 449 TYR A CE2 1 ATOM 3594 C CZ . TYR A 1 449 ? 27.364 -10.287 28.222 1.00 37.58 ? 449 TYR A CZ 1 ATOM 3595 O OH . TYR A 1 449 ? 28.278 -10.029 27.225 1.00 38.90 ? 449 TYR A OH 1 ATOM 3596 N N . ASN A 1 450 ? 24.954 -14.464 31.462 1.00 36.82 ? 450 ASN A N 1 ATOM 3597 C CA . ASN A 1 450 ? 25.626 -15.672 30.992 1.00 35.69 ? 450 ASN A CA 1 ATOM 3598 C C . ASN A 1 450 ? 24.679 -16.813 30.657 1.00 36.00 ? 450 ASN A C 1 ATOM 3599 O O . ASN A 1 450 ? 25.022 -17.703 29.866 1.00 35.26 ? 450 ASN A O 1 ATOM 3600 C CB . ASN A 1 450 ? 26.683 -16.134 31.995 1.00 35.48 ? 450 ASN A CB 1 ATOM 3601 C CG . ASN A 1 450 ? 27.997 -15.401 31.818 1.00 35.02 ? 450 ASN A CG 1 ATOM 3602 O OD1 . ASN A 1 450 ? 28.327 -14.982 30.709 1.00 33.29 ? 450 ASN A OD1 1 ATOM 3603 N ND2 . ASN A 1 450 ? 28.755 -15.250 32.899 1.00 32.09 ? 450 ASN A ND2 1 ATOM 3604 N N . SER A 1 451 ? 23.494 -16.803 31.260 1.00 35.91 ? 451 SER A N 1 ATOM 3605 C CA . SER A 1 451 ? 22.504 -17.834 30.956 1.00 34.17 ? 451 SER A CA 1 ATOM 3606 C C . SER A 1 451 ? 22.055 -17.545 29.520 1.00 32.93 ? 451 SER A C 1 ATOM 3607 O O . SER A 1 451 ? 21.969 -18.442 28.658 1.00 31.05 ? 451 SER A O 1 ATOM 3608 C CB . SER A 1 451 ? 21.303 -17.747 31.902 1.00 33.49 ? 451 SER A CB 1 ATOM 3609 O OG . SER A 1 451 ? 21.647 -18.125 33.224 1.00 34.73 ? 451 SER A OG 1 ATOM 3610 N N . TRP A 1 452 ? 21.842 -16.264 29.261 1.00 32.04 ? 452 TRP A N 1 ATOM 3611 C CA . TRP A 1 452 ? 21.406 -15.825 27.951 1.00 32.58 ? 452 TRP A CA 1 ATOM 3612 C C . TRP A 1 452 ? 22.488 -15.970 26.882 1.00 31.75 ? 452 TRP A C 1 ATOM 3613 O O . TRP A 1 452 ? 22.187 -16.169 25.700 1.00 30.57 ? 452 TRP A O 1 ATOM 3614 C CB . TRP A 1 452 ? 20.873 -14.387 28.037 1.00 31.76 ? 452 TRP A CB 1 ATOM 3615 C CG . TRP A 1 452 ? 19.575 -14.362 28.821 1.00 33.53 ? 452 TRP A CG 1 ATOM 3616 C CD1 . TRP A 1 452 ? 19.369 -13.871 30.094 1.00 33.28 ? 452 TRP A CD1 1 ATOM 3617 C CD2 . TRP A 1 452 ? 18.358 -15.008 28.441 1.00 32.04 ? 452 TRP A CD2 1 ATOM 3618 N NE1 . TRP A 1 452 ? 18.094 -14.187 30.525 1.00 33.20 ? 452 TRP A NE1 1 ATOM 3619 C CE2 . TRP A 1 452 ? 17.455 -14.887 29.532 1.00 32.50 ? 452 TRP A CE2 1 ATOM 3620 C CE3 . TRP A 1 452 ? 17.947 -15.694 27.289 1.00 31.23 ? 452 TRP A CE3 1 ATOM 3621 C CZ2 . TRP A 1 452 ? 16.157 -15.428 29.494 1.00 31.12 ? 452 TRP A CZ2 1 ATOM 3622 C CZ3 . TRP A 1 452 ? 16.657 -16.236 27.252 1.00 32.51 ? 452 TRP A CZ3 1 ATOM 3623 C CH2 . TRP A 1 452 ? 15.782 -16.100 28.350 1.00 32.72 ? 452 TRP A CH2 1 ATOM 3624 N N . ARG A 1 453 ? 23.748 -15.853 27.297 1.00 32.93 ? 453 ARG A N 1 ATOM 3625 C CA . ARG A 1 453 ? 24.869 -16.018 26.372 1.00 31.77 ? 453 ARG A CA 1 ATOM 3626 C C . ARG A 1 453 ? 24.964 -17.500 26.070 1.00 31.08 ? 453 ARG A C 1 ATOM 3627 O O . ARG A 1 453 ? 25.134 -17.906 24.926 1.00 29.84 ? 453 ARG A O 1 ATOM 3628 C CB . ARG A 1 453 ? 26.164 -15.554 27.023 1.00 34.05 ? 453 ARG A CB 1 ATOM 3629 C CG . ARG A 1 453 ? 26.268 -14.038 27.308 1.00 32.83 ? 453 ARG A CG 1 ATOM 3630 C CD . ARG A 1 453 ? 26.892 -13.322 26.155 1.00 32.37 ? 453 ARG A CD 1 ATOM 3631 N NE . ARG A 1 453 ? 28.238 -13.800 25.876 1.00 34.00 ? 453 ARG A NE 1 ATOM 3632 C CZ . ARG A 1 453 ? 28.995 -13.368 24.860 1.00 33.53 ? 453 ARG A CZ 1 ATOM 3633 N NH1 . ARG A 1 453 ? 28.554 -12.444 24.022 1.00 32.66 ? 453 ARG A NH1 1 ATOM 3634 N NH2 . ARG A 1 453 ? 30.199 -13.873 24.656 1.00 34.60 ? 453 ARG A NH2 1 ATOM 3635 N N . GLY A 1 454 ? 24.832 -18.307 27.118 1.00 31.14 ? 454 GLY A N 1 ATOM 3636 C CA . GLY A 1 454 ? 24.878 -19.741 26.942 1.00 30.61 ? 454 GLY A CA 1 ATOM 3637 C C . GLY A 1 454 ? 23.807 -20.117 25.945 1.00 32.57 ? 454 GLY A C 1 ATOM 3638 O O . GLY A 1 454 ? 24.073 -20.774 24.938 1.00 33.70 ? 454 GLY A O 1 ATOM 3639 N N . PHE A 1 455 ? 22.591 -19.652 26.229 1.00 34.11 ? 455 PHE A N 1 ATOM 3640 C CA . PHE A 1 455 ? 21.401 -19.882 25.416 1.00 34.96 ? 455 PHE A CA 1 ATOM 3641 C C . PHE A 1 455 ? 21.628 -19.506 23.957 1.00 37.35 ? 455 PHE A C 1 ATOM 3642 O O . PHE A 1 455 ? 21.114 -20.172 23.057 1.00 38.92 ? 455 PHE A O 1 ATOM 3643 C CB . PHE A 1 455 ? 20.239 -19.054 25.974 1.00 34.59 ? 455 PHE A CB 1 ATOM 3644 C CG . PHE A 1 455 ? 18.968 -19.120 25.149 1.00 33.41 ? 455 PHE A CG 1 ATOM 3645 C CD1 . PHE A 1 455 ? 18.037 -20.133 25.350 1.00 34.59 ? 455 PHE A CD1 1 ATOM 3646 C CD2 . PHE A 1 455 ? 18.675 -18.128 24.215 1.00 31.53 ? 455 PHE A CD2 1 ATOM 3647 C CE1 . PHE A 1 455 ? 16.832 -20.153 24.634 1.00 33.46 ? 455 PHE A CE1 1 ATOM 3648 C CE2 . PHE A 1 455 ? 17.483 -18.141 23.499 1.00 31.09 ? 455 PHE A CE2 1 ATOM 3649 C CZ . PHE A 1 455 ? 16.558 -19.151 23.707 1.00 33.42 ? 455 PHE A CZ 1 ATOM 3650 N N . CYS A 1 456 ? 22.368 -18.426 23.718 1.00 38.07 ? 456 CYS A N 1 ATOM 3651 C CA . CYS A 1 456 ? 22.622 -18.009 22.352 1.00 38.68 ? 456 CYS A CA 1 ATOM 3652 C C . CYS A 1 456 ? 23.895 -18.631 21.809 1.00 39.71 ? 456 CYS A C 1 ATOM 3653 O O . CYS A 1 456 ? 24.419 -18.194 20.777 1.00 40.33 ? 456 CYS A O 1 ATOM 3654 C CB . CYS A 1 456 ? 22.667 -16.480 22.271 1.00 39.03 ? 456 CYS A CB 1 ATOM 3655 S SG . CYS A 1 456 ? 20.973 -15.786 22.252 1.00 38.32 ? 456 CYS A SG 1 ATOM 3656 N N . GLY A 1 457 ? 24.394 -19.646 22.514 1.00 39.78 ? 457 GLY A N 1 ATOM 3657 C CA . GLY A 1 457 ? 25.601 -20.322 22.085 1.00 39.17 ? 457 GLY A CA 1 ATOM 3658 C C . GLY A 1 457 ? 26.736 -19.345 21.922 1.00 40.90 ? 457 GLY A C 1 ATOM 3659 O O . GLY A 1 457 ? 27.472 -19.371 20.933 1.00 40.55 ? 457 GLY A O 1 ATOM 3660 N N . LEU A 1 458 ? 26.861 -18.471 22.909 1.00 40.77 ? 458 LEU A N 1 ATOM 3661 C CA . LEU A 1 458 ? 27.866 -17.462 22.955 1.00 40.88 ? 458 LEU A CA 1 ATOM 3662 C C . LEU A 1 458 ? 28.767 -17.779 24.126 1.00 41.20 ? 458 LEU A C 1 ATOM 3663 O O . LEU A 1 458 ? 28.321 -18.342 25.126 1.00 41.98 ? 458 LEU A O 1 ATOM 3664 C CB . LEU A 1 458 ? 27.254 -16.082 22.941 1.00 41.21 ? 458 LEU A CB 1 ATOM 3665 C CG . LEU A 1 458 ? 26.831 -15.691 21.515 1.00 42.83 ? 458 LEU A CG 1 ATOM 3666 C CD1 . LEU A 1 458 ? 25.922 -14.466 21.532 1.00 40.58 ? 458 LEU A CD1 1 ATOM 3667 C CD2 . LEU A 1 458 ? 28.063 -15.448 20.641 1.00 40.26 ? 458 LEU A CD2 1 ATOM 3668 N N . SER A 1 459 ? 30.055 -17.397 24.036 1.00 41.24 ? 459 SER A N 1 ATOM 3669 C CA . SER A 1 459 ? 31.053 -17.614 25.130 1.00 42.48 ? 459 SER A CA 1 ATOM 3670 C C . SER A 1 459 ? 30.489 -16.973 26.454 1.00 42.53 ? 459 SER A C 1 ATOM 3671 O O . SER A 1 459 ? 29.740 -16.013 26.348 1.00 43.24 ? 459 SER A O 1 ATOM 3672 C CB . SER A 1 459 ? 32.388 -16.964 24.788 1.00 43.37 ? 459 SER A CB 1 ATOM 3673 O OG . SER A 1 459 ? 32.209 -15.605 24.437 1.00 42.85 ? 459 SER A OG 1 ATOM 3674 N N . GLN A 1 460 ? 30.790 -17.451 27.701 1.00 42.47 ? 460 GLN A N 1 ATOM 3675 C CA . GLN A 1 460 ? 30.299 -16.792 28.948 1.00 43.29 ? 460 GLN A CA 1 ATOM 3676 C C . GLN A 1 460 ? 31.516 -16.532 29.906 1.00 45.08 ? 460 GLN A C 1 ATOM 3677 O O . GLN A 1 460 ? 32.211 -17.472 30.272 1.00 46.71 ? 460 GLN A O 1 ATOM 3678 C CB . GLN A 1 460 ? 29.216 -17.640 29.613 1.00 44.13 ? 460 GLN A CB 1 ATOM 3679 C CG . GLN A 1 460 ? 28.395 -18.413 28.608 1.00 43.36 ? 460 GLN A CG 1 ATOM 3680 C CD . GLN A 1 460 ? 27.814 -19.659 29.223 1.00 41.82 ? 460 GLN A CD 1 ATOM 3681 O OE1 . GLN A 1 460 ? 27.232 -19.628 30.292 1.00 43.02 ? 460 GLN A OE1 1 ATOM 3682 N NE2 . GLN A 1 460 ? 27.865 -20.869 28.699 1.00 40.56 ? 460 GLN A NE2 1 ATOM 3683 N N . PRO A 1 461 ? 31.778 -15.258 30.296 1.00 45.85 ? 461 PRO A N 1 ATOM 3684 C CA . PRO A 1 461 ? 32.976 -14.802 31.085 1.00 46.01 ? 461 PRO A CA 1 ATOM 3685 C C . PRO A 1 461 ? 32.814 -15.155 32.428 1.00 46.48 ? 461 PRO A C 1 ATOM 3686 O O . PRO A 1 461 ? 31.692 -15.317 32.888 1.00 45.68 ? 461 PRO A O 1 ATOM 3687 C CB . PRO A 1 461 ? 32.943 -13.332 31.149 1.00 45.70 ? 461 PRO A CB 1 ATOM 3688 C CG . PRO A 1 461 ? 32.573 -13.082 29.753 1.00 45.09 ? 461 PRO A CG 1 ATOM 3689 C CD . PRO A 1 461 ? 31.913 -14.307 29.215 1.00 45.72 ? 461 PRO A CD 1 ATOM 3690 N N . LYS A 1 462 ? 33.852 -15.302 33.131 1.00 46.77 ? 462 LYS A N 1 ATOM 3691 C CA . LYS A 1 462 ? 33.671 -15.380 34.577 1.00 49.31 ? 462 LYS A CA 1 ATOM 3692 C C . LYS A 1 462 ? 34.628 -14.468 35.345 1.00 48.78 ? 462 LYS A C 1 ATOM 3693 O O . LYS A 1 462 ? 34.574 -14.371 36.583 1.00 49.02 ? 462 LYS A O 1 ATOM 3694 C CB . LYS A 1 462 ? 33.857 -16.832 35.027 1.00 50.09 ? 462 LYS A CB 1 ATOM 3695 C CG . LYS A 1 462 ? 33.111 -17.858 34.160 1.00 52.88 ? 462 LYS A CG 1 ATOM 3696 C CD . LYS A 1 462 ? 31.574 -17.745 34.269 1.00 53.79 ? 462 LYS A CD 1 ATOM 3697 C CE . LYS A 1 462 ? 30.832 -18.692 33.308 1.00 53.73 ? 462 LYS A CE 1 ATOM 3698 N NZ . LYS A 1 462 ? 30.487 -20.039 33.902 1.00 55.05 ? 462 LYS A NZ 1 ATOM 3699 N N . THR A 1 463 ? 35.499 -13.799 34.594 1.00 47.13 ? 463 THR A N 1 ATOM 3700 C CA . THR A 1 463 ? 36.481 -12.892 35.173 1.00 44.53 ? 463 THR A CA 1 ATOM 3701 C C . THR A 1 463 ? 36.484 -11.539 34.504 1.00 44.34 ? 463 THR A C 1 ATOM 3702 O O . THR A 1 463 ? 36.058 -11.391 33.356 1.00 42.99 ? 463 THR A O 1 ATOM 3703 C CB . THR A 1 463 ? 37.897 -13.414 35.023 1.00 42.32 ? 463 THR A CB 1 ATOM 3704 O OG1 . THR A 1 463 ? 38.131 -13.702 33.639 1.00 38.80 ? 463 THR A OG1 1 ATOM 3705 C CG2 . THR A 1 463 ? 38.121 -14.656 35.901 1.00 40.74 ? 463 THR A CG2 1 ATOM 3706 N N . LEU A 1 464 ? 37.029 -10.559 35.219 1.00 43.89 ? 464 LEU A N 1 ATOM 3707 C CA . LEU A 1 464 ? 37.113 -9.215 34.697 1.00 43.94 ? 464 LEU A CA 1 ATOM 3708 C C . LEU A 1 464 ? 37.739 -9.278 33.306 1.00 44.06 ? 464 LEU A C 1 ATOM 3709 O O . LEU A 1 464 ? 37.124 -8.868 32.325 1.00 43.74 ? 464 LEU A O 1 ATOM 3710 C CB . LEU A 1 464 ? 37.953 -8.324 35.616 1.00 43.56 ? 464 LEU A CB 1 ATOM 3711 C CG . LEU A 1 464 ? 37.867 -6.807 35.437 1.00 43.01 ? 464 LEU A CG 1 ATOM 3712 C CD1 . LEU A 1 464 ? 39.273 -6.214 35.428 1.00 43.15 ? 464 LEU A CD1 1 ATOM 3713 C CD2 . LEU A 1 464 ? 37.144 -6.443 34.151 1.00 43.95 ? 464 LEU A CD2 1 ATOM 3714 N N . LYS A 1 465 ? 38.955 -9.801 33.222 1.00 43.02 ? 465 LYS A N 1 ATOM 3715 C CA . LYS A 1 465 ? 39.637 -9.906 31.942 1.00 43.43 ? 465 LYS A CA 1 ATOM 3716 C C . LYS A 1 465 ? 38.730 -10.523 30.859 1.00 42.85 ? 465 LYS A C 1 ATOM 3717 O O . LYS A 1 465 ? 38.770 -10.108 29.702 1.00 41.86 ? 465 LYS A O 1 ATOM 3718 C CB . LYS A 1 465 ? 40.923 -10.733 32.092 1.00 44.10 ? 465 LYS A CB 1 ATOM 3719 C CG . LYS A 1 465 ? 41.735 -10.867 30.793 1.00 44.32 ? 465 LYS A CG 1 ATOM 3720 C CD . LYS A 1 465 ? 41.935 -9.549 30.049 1.00 45.56 ? 465 LYS A CD 1 ATOM 3721 C CE . LYS A 1 465 ? 42.788 -9.769 28.815 1.00 47.00 ? 465 LYS A CE 1 ATOM 3722 N NZ . LYS A 1 465 ? 43.756 -8.639 28.596 1.00 49.69 ? 465 LYS A NZ 1 ATOM 3723 N N . GLY A 1 466 ? 37.944 -11.537 31.219 1.00 42.87 ? 466 GLY A N 1 ATOM 3724 C CA . GLY A 1 466 ? 37.042 -12.146 30.252 1.00 41.44 ? 466 GLY A CA 1 ATOM 3725 C C . GLY A 1 466 ? 35.927 -11.177 29.888 1.00 42.00 ? 466 GLY A C 1 ATOM 3726 O O . GLY A 1 466 ? 35.673 -10.932 28.706 1.00 42.73 ? 466 GLY A O 1 ATOM 3727 N N . LEU A 1 467 ? 35.268 -10.602 30.890 1.00 41.34 ? 467 LEU A N 1 ATOM 3728 C CA . LEU A 1 467 ? 34.201 -9.662 30.610 1.00 40.93 ? 467 LEU A CA 1 ATOM 3729 C C . LEU A 1 467 ? 34.727 -8.513 29.764 1.00 42.14 ? 467 LEU A C 1 ATOM 3730 O O . LEU A 1 467 ? 34.005 -7.996 28.914 1.00 43.85 ? 467 LEU A O 1 ATOM 3731 C CB . LEU A 1 467 ? 33.588 -9.103 31.897 1.00 39.34 ? 467 LEU A CB 1 ATOM 3732 C CG . LEU A 1 467 ? 32.345 -8.248 31.580 1.00 39.78 ? 467 LEU A CG 1 ATOM 3733 C CD1 . LEU A 1 467 ? 31.299 -9.136 30.909 1.00 34.48 ? 467 LEU A CD1 1 ATOM 3734 C CD2 . LEU A 1 467 ? 31.814 -7.574 32.848 1.00 38.87 ? 467 LEU A CD2 1 ATOM 3735 N N . GLN A 1 468 ? 35.977 -8.115 29.997 1.00 42.31 ? 468 GLN A N 1 ATOM 3736 C CA . GLN A 1 468 ? 36.612 -7.025 29.255 1.00 41.69 ? 468 GLN A CA 1 ATOM 3737 C C . GLN A 1 468 ? 36.631 -7.325 27.763 1.00 42.09 ? 468 GLN A C 1 ATOM 3738 O O . GLN A 1 468 ? 36.264 -6.510 26.930 1.00 42.54 ? 468 GLN A O 1 ATOM 3739 C CB . GLN A 1 468 ? 38.077 -6.898 29.634 1.00 42.58 ? 468 GLN A CB 1 ATOM 3740 C CG . GLN A 1 468 ? 38.449 -6.115 30.833 1.00 41.48 ? 468 GLN A CG 1 ATOM 3741 C CD . GLN A 1 468 ? 39.932 -6.283 31.084 1.00 42.97 ? 468 GLN A CD 1 ATOM 3742 O OE1 . GLN A 1 468 ? 40.613 -5.390 31.584 1.00 44.71 ? 468 GLN A OE1 1 ATOM 3743 N NE2 . GLN A 1 468 ? 40.438 -7.453 30.739 1.00 42.40 ? 468 GLN A NE2 1 ATOM 3744 N N . THR A 1 469 ? 37.139 -8.509 27.448 1.00 41.03 ? 469 THR A N 1 ATOM 3745 C CA . THR A 1 469 ? 37.310 -8.935 26.066 1.00 38.56 ? 469 THR A CA 1 ATOM 3746 C C . THR A 1 469 ? 36.007 -8.935 25.295 1.00 37.45 ? 469 THR A C 1 ATOM 3747 O O . THR A 1 469 ? 35.929 -8.416 24.177 1.00 39.45 ? 469 THR A O 1 ATOM 3748 C CB . THR A 1 469 ? 37.953 -10.312 26.013 1.00 37.65 ? 469 THR A CB 1 ATOM 3749 O OG1 . THR A 1 469 ? 39.040 -10.333 26.940 1.00 34.70 ? 469 THR A OG1 1 ATOM 3750 C CG2 . THR A 1 469 ? 38.461 -10.630 24.610 1.00 37.31 ? 469 THR A CG2 1 ATOM 3751 N N . VAL A 1 470 ? 34.963 -9.480 25.898 1.00 35.34 ? 470 VAL A N 1 ATOM 3752 C CA . VAL A 1 470 ? 33.672 -9.509 25.232 1.00 34.36 ? 470 VAL A CA 1 ATOM 3753 C C . VAL A 1 470 ? 33.071 -8.126 25.023 1.00 35.43 ? 470 VAL A C 1 ATOM 3754 O O . VAL A 1 470 ? 32.525 -7.842 23.951 1.00 37.83 ? 470 VAL A O 1 ATOM 3755 C CB . VAL A 1 470 ? 32.681 -10.443 25.978 1.00 33.88 ? 470 VAL A CB 1 ATOM 3756 C CG1 . VAL A 1 470 ? 31.259 -10.084 25.654 1.00 31.25 ? 470 VAL A CG1 1 ATOM 3757 C CG2 . VAL A 1 470 ? 32.947 -11.884 25.556 1.00 31.99 ? 470 VAL A CG2 1 ATOM 3758 N N . LEU A 1 471 ? 33.186 -7.245 26.011 1.00 33.49 ? 471 LEU A N 1 ATOM 3759 C CA . LEU A 1 471 ? 32.641 -5.897 25.842 1.00 32.45 ? 471 LEU A CA 1 ATOM 3760 C C . LEU A 1 471 ? 33.596 -4.991 25.082 1.00 33.15 ? 471 LEU A C 1 ATOM 3761 O O . LEU A 1 471 ? 33.258 -3.850 24.775 1.00 34.40 ? 471 LEU A O 1 ATOM 3762 C CB . LEU A 1 471 ? 32.348 -5.258 27.196 1.00 29.57 ? 471 LEU A CB 1 ATOM 3763 C CG . LEU A 1 471 ? 31.575 -6.150 28.168 1.00 28.77 ? 471 LEU A CG 1 ATOM 3764 C CD1 . LEU A 1 471 ? 31.295 -5.428 29.488 1.00 22.31 ? 471 LEU A CD1 1 ATOM 3765 C CD2 . LEU A 1 471 ? 30.311 -6.590 27.499 1.00 26.23 ? 471 LEU A CD2 1 ATOM 3766 N N . LYS A 1 472 ? 34.775 -5.513 24.762 1.00 33.05 ? 472 LYS A N 1 ATOM 3767 C CA . LYS A 1 472 ? 35.766 -4.735 24.069 1.00 33.45 ? 472 LYS A CA 1 ATOM 3768 C C . LYS A 1 472 ? 35.875 -3.406 24.766 1.00 33.64 ? 472 LYS A C 1 ATOM 3769 O O . LYS A 1 472 ? 36.030 -2.355 24.120 1.00 34.31 ? 472 LYS A O 1 ATOM 3770 C CB . LYS A 1 472 ? 35.400 -4.561 22.603 1.00 32.39 ? 472 LYS A CB 1 ATOM 3771 C CG . LYS A 1 472 ? 35.922 -5.663 21.711 1.00 31.82 ? 472 LYS A CG 1 ATOM 3772 C CD . LYS A 1 472 ? 35.344 -5.577 20.316 1.00 35.88 ? 472 LYS A CD 1 ATOM 3773 C CE . LYS A 1 472 ? 35.576 -6.883 19.574 1.00 33.66 ? 472 LYS A CE 1 ATOM 3774 N NZ . LYS A 1 472 ? 35.400 -8.073 20.454 1.00 39.55 ? 472 LYS A NZ 1 ATOM 3775 N N . ASN A 1 473 ? 35.770 -3.453 26.094 1.00 33.45 ? 473 ASN A N 1 ATOM 3776 C CA . ASN A 1 473 ? 35.851 -2.230 26.875 1.00 34.73 ? 473 ASN A CA 1 ATOM 3777 C C . ASN A 1 473 ? 36.367 -2.550 28.292 1.00 37.20 ? 473 ASN A C 1 ATOM 3778 O O . ASN A 1 473 ? 35.822 -3.405 28.989 1.00 39.06 ? 473 ASN A O 1 ATOM 3779 C CB . ASN A 1 473 ? 34.496 -1.548 26.892 1.00 31.60 ? 473 ASN A CB 1 ATOM 3780 C CG . ASN A 1 473 ? 34.550 -0.158 27.507 1.00 31.29 ? 473 ASN A CG 1 ATOM 3781 O OD1 . ASN A 1 473 ? 35.130 0.043 28.574 1.00 31.58 ? 473 ASN A OD1 1 ATOM 3782 N ND2 . ASN A 1 473 ? 33.937 0.825 26.838 1.00 27.51 ? 473 ASN A ND2 1 ATOM 3783 N N . LYS A 1 474 ? 37.418 -1.865 28.683 1.00 39.57 ? 474 LYS A N 1 ATOM 3784 C CA . LYS A 1 474 ? 38.067 -2.130 29.977 1.00 41.08 ? 474 LYS A CA 1 ATOM 3785 C C . LYS A 1 474 ? 37.399 -1.507 31.204 1.00 41.45 ? 474 LYS A C 1 ATOM 3786 O O . LYS A 1 474 ? 37.031 -2.231 32.131 1.00 41.63 ? 474 LYS A O 1 ATOM 3787 C CB . LYS A 1 474 ? 39.520 -1.687 29.911 1.00 43.29 ? 474 LYS A CB 1 ATOM 3788 C CG . LYS A 1 474 ? 40.392 -2.598 30.745 1.00 45.67 ? 474 LYS A CG 1 ATOM 3789 C CD . LYS A 1 474 ? 41.844 -2.484 30.339 1.00 48.44 ? 474 LYS A CD 1 ATOM 3790 C CE . LYS A 1 474 ? 42.085 -2.984 28.922 1.00 46.91 ? 474 LYS A CE 1 ATOM 3791 N NZ . LYS A 1 474 ? 43.417 -2.556 28.403 1.00 50.51 ? 474 LYS A NZ 1 ATOM 3792 N N . ILE A 1 475 ? 37.237 -0.189 31.270 1.00 41.83 ? 475 ILE A N 1 ATOM 3793 C CA . ILE A 1 475 ? 36.604 0.327 32.483 1.00 41.61 ? 475 ILE A CA 1 ATOM 3794 C C . ILE A 1 475 ? 35.098 0.057 32.545 1.00 41.67 ? 475 ILE A C 1 ATOM 3795 O O . ILE A 1 475 ? 34.509 0.064 33.625 1.00 43.66 ? 475 ILE A O 1 ATOM 3796 C CB . ILE A 1 475 ? 37.003 1.831 32.768 1.00 40.73 ? 475 ILE A CB 1 ATOM 3797 C CG1 . ILE A 1 475 ? 35.789 2.744 32.798 1.00 41.05 ? 475 ILE A CG1 1 ATOM 3798 C CG2 . ILE A 1 475 ? 38.037 2.278 31.761 1.00 43.16 ? 475 ILE A CG2 1 ATOM 3799 C CD1 . ILE A 1 475 ? 36.161 4.194 33.112 1.00 41.41 ? 475 ILE A CD1 1 ATOM 3800 N N . LEU A 1 476 ? 34.460 -0.247 31.421 1.00 40.66 ? 476 LEU A N 1 ATOM 3801 C CA . LEU A 1 476 ? 33.044 -0.576 31.539 1.00 39.74 ? 476 LEU A CA 1 ATOM 3802 C C . LEU A 1 476 ? 32.977 -1.904 32.292 1.00 40.71 ? 476 LEU A C 1 ATOM 3803 O O . LEU A 1 476 ? 32.223 -2.039 33.258 1.00 38.26 ? 476 LEU A O 1 ATOM 3804 C CB . LEU A 1 476 ? 32.349 -0.747 30.179 1.00 37.31 ? 476 LEU A CB 1 ATOM 3805 C CG . LEU A 1 476 ? 30.884 -1.212 30.364 1.00 36.35 ? 476 LEU A CG 1 ATOM 3806 C CD1 . LEU A 1 476 ? 30.157 -0.201 31.283 1.00 33.02 ? 476 LEU A CD1 1 ATOM 3807 C CD2 . LEU A 1 476 ? 30.171 -1.353 29.045 1.00 33.03 ? 476 LEU A CD2 1 ATOM 3808 N N . ALA A 1 477 ? 33.781 -2.864 31.833 1.00 43.12 ? 477 ALA A N 1 ATOM 3809 C CA . ALA A 1 477 ? 33.862 -4.199 32.422 1.00 44.76 ? 477 ALA A CA 1 ATOM 3810 C C . ALA A 1 477 ? 34.289 -4.204 33.904 1.00 45.95 ? 477 ALA A C 1 ATOM 3811 O O . ALA A 1 477 ? 33.838 -5.036 34.713 1.00 47.19 ? 477 ALA A O 1 ATOM 3812 C CB . ALA A 1 477 ? 34.827 -5.049 31.599 1.00 43.02 ? 477 ALA A CB 1 ATOM 3813 N N . LYS A 1 478 ? 35.146 -3.248 34.242 1.00 46.38 ? 478 LYS A N 1 ATOM 3814 C CA . LYS A 1 478 ? 35.692 -3.068 35.581 1.00 47.30 ? 478 LYS A CA 1 ATOM 3815 C C . LYS A 1 478 ? 34.614 -2.521 36.525 1.00 47.79 ? 478 LYS A C 1 ATOM 3816 O O . LYS A 1 478 ? 34.563 -2.857 37.713 1.00 47.63 ? 478 LYS A O 1 ATOM 3817 C CB . LYS A 1 478 ? 36.855 -2.097 35.457 1.00 48.58 ? 478 LYS A CB 1 ATOM 3818 C CG . LYS A 1 478 ? 37.502 -1.651 36.727 1.00 50.02 ? 478 LYS A CG 1 ATOM 3819 C CD . LYS A 1 478 ? 38.699 -0.787 36.321 1.00 51.38 ? 478 LYS A CD 1 ATOM 3820 C CE . LYS A 1 478 ? 39.610 -1.610 35.383 1.00 50.86 ? 478 LYS A CE 1 ATOM 3821 N NZ . LYS A 1 478 ? 40.438 -0.764 34.471 1.00 47.94 ? 478 LYS A NZ 1 ATOM 3822 N N . LYS A 1 479 ? 33.765 -1.655 35.972 1.00 47.82 ? 479 LYS A N 1 ATOM 3823 C CA . LYS A 1 479 ? 32.649 -1.043 36.697 1.00 47.15 ? 479 LYS A CA 1 ATOM 3824 C C . LYS A 1 479 ? 31.586 -2.128 36.845 1.00 46.27 ? 479 LYS A C 1 ATOM 3825 O O . LYS A 1 479 ? 31.071 -2.382 37.933 1.00 45.81 ? 479 LYS A O 1 ATOM 3826 C CB . LYS A 1 479 ? 32.042 0.121 35.892 1.00 46.23 ? 479 LYS A CB 1 ATOM 3827 C CG . LYS A 1 479 ? 32.870 1.398 35.759 1.00 44.34 ? 479 LYS A CG 1 ATOM 3828 C CD . LYS A 1 479 ? 32.067 2.430 34.960 1.00 43.26 ? 479 LYS A CD 1 ATOM 3829 C CE . LYS A 1 479 ? 32.915 3.555 34.372 1.00 42.51 ? 479 LYS A CE 1 ATOM 3830 N NZ . LYS A 1 479 ? 32.565 3.821 32.921 1.00 42.61 ? 479 LYS A NZ 1 ATOM 3831 N N . LEU A 1 480 ? 31.266 -2.765 35.727 1.00 46.55 ? 480 LEU A N 1 ATOM 3832 C CA . LEU A 1 480 ? 30.265 -3.819 35.708 1.00 47.72 ? 480 LEU A CA 1 ATOM 3833 C C . LEU A 1 480 ? 30.606 -4.869 36.760 1.00 48.16 ? 480 LEU A C 1 ATOM 3834 O O . LEU A 1 480 ? 29.747 -5.273 37.545 1.00 47.29 ? 480 LEU A O 1 ATOM 3835 C CB . LEU A 1 480 ? 30.201 -4.439 34.312 1.00 47.45 ? 480 LEU A CB 1 ATOM 3836 C CG . LEU A 1 480 ? 28.791 -4.589 33.700 1.00 49.20 ? 480 LEU A CG 1 ATOM 3837 C CD1 . LEU A 1 480 ? 27.881 -3.508 34.208 1.00 46.71 ? 480 LEU A CD1 1 ATOM 3838 C CD2 . LEU A 1 480 ? 28.892 -4.562 32.195 1.00 47.06 ? 480 LEU A CD2 1 ATOM 3839 N N . MET A 1 481 ? 31.879 -5.263 36.793 1.00 48.18 ? 481 MET A N 1 ATOM 3840 C CA . MET A 1 481 ? 32.401 -6.254 37.748 1.00 48.20 ? 481 MET A CA 1 ATOM 3841 C C . MET A 1 481 ? 32.382 -5.836 39.219 1.00 48.06 ? 481 MET A C 1 ATOM 3842 O O . MET A 1 481 ? 32.187 -6.663 40.110 1.00 49.91 ? 481 MET A O 1 ATOM 3843 C CB . MET A 1 481 ? 33.839 -6.611 37.398 1.00 48.02 ? 481 MET A CB 1 ATOM 3844 C CG . MET A 1 481 ? 33.998 -7.579 36.282 1.00 47.81 ? 481 MET A CG 1 ATOM 3845 S SD . MET A 1 481 ? 33.272 -9.176 36.695 1.00 50.10 ? 481 MET A SD 1 ATOM 3846 C CE . MET A 1 481 ? 34.169 -9.586 38.187 1.00 47.80 ? 481 MET A CE 1 ATOM 3847 N N . ASP A 1 482 ? 32.636 -4.557 39.467 1.00 47.72 ? 482 ASP A N 1 ATOM 3848 C CA . ASP A 1 482 ? 32.663 -3.996 40.813 1.00 46.10 ? 482 ASP A CA 1 ATOM 3849 C C . ASP A 1 482 ? 31.316 -3.910 41.454 1.00 45.56 ? 482 ASP A C 1 ATOM 3850 O O . ASP A 1 482 ? 31.190 -3.931 42.680 1.00 46.60 ? 482 ASP A O 1 ATOM 3851 C CB . ASP A 1 482 ? 33.261 -2.611 40.765 1.00 46.18 ? 482 ASP A CB 1 ATOM 3852 C CG . ASP A 1 482 ? 34.736 -2.647 40.662 1.00 46.67 ? 482 ASP A CG 1 ATOM 3853 O OD1 . ASP A 1 482 ? 35.261 -3.773 40.526 1.00 44.88 ? 482 ASP A OD1 1 ATOM 3854 O OD2 . ASP A 1 482 ? 35.332 -1.548 40.726 1.00 47.01 ? 482 ASP A OD2 1 ATOM 3855 N N . LEU A 1 483 ? 30.305 -3.805 40.611 1.00 43.74 ? 483 LEU A N 1 ATOM 3856 C CA . LEU A 1 483 ? 28.942 -3.721 41.079 1.00 42.45 ? 483 LEU A CA 1 ATOM 3857 C C . LEU A 1 483 ? 28.365 -5.120 41.217 1.00 41.59 ? 483 LEU A C 1 ATOM 3858 O O . LEU A 1 483 ? 27.635 -5.406 42.159 1.00 41.24 ? 483 LEU A O 1 ATOM 3859 C CB . LEU A 1 483 ? 28.109 -2.915 40.092 1.00 42.54 ? 483 LEU A CB 1 ATOM 3860 C CG . LEU A 1 483 ? 28.341 -1.412 40.198 1.00 42.29 ? 483 LEU A CG 1 ATOM 3861 C CD1 . LEU A 1 483 ? 28.136 -0.739 38.852 1.00 40.49 ? 483 LEU A CD1 1 ATOM 3862 C CD2 . LEU A 1 483 ? 27.402 -0.865 41.218 1.00 40.28 ? 483 LEU A CD2 1 ATOM 3863 N N . TYR A 1 484 ? 28.736 -5.997 40.291 1.00 41.78 ? 484 TYR A N 1 ATOM 3864 C CA . TYR A 1 484 ? 28.230 -7.366 40.254 1.00 41.72 ? 484 TYR A CA 1 ATOM 3865 C C . TYR A 1 484 ? 29.113 -8.546 40.703 1.00 42.71 ? 484 TYR A C 1 ATOM 3866 O O . TYR A 1 484 ? 28.605 -9.660 40.850 1.00 42.94 ? 484 TYR A O 1 ATOM 3867 C CB . TYR A 1 484 ? 27.729 -7.643 38.852 1.00 40.72 ? 484 TYR A CB 1 ATOM 3868 C CG . TYR A 1 484 ? 26.533 -6.834 38.445 1.00 38.92 ? 484 TYR A CG 1 ATOM 3869 C CD1 . TYR A 1 484 ? 25.243 -7.236 38.800 1.00 39.95 ? 484 TYR A CD1 1 ATOM 3870 C CD2 . TYR A 1 484 ? 26.670 -5.751 37.586 1.00 37.97 ? 484 TYR A CD2 1 ATOM 3871 C CE1 . TYR A 1 484 ? 24.115 -6.586 38.281 1.00 37.19 ? 484 TYR A CE1 1 ATOM 3872 C CE2 . TYR A 1 484 ? 25.552 -5.098 37.065 1.00 37.03 ? 484 TYR A CE2 1 ATOM 3873 C CZ . TYR A 1 484 ? 24.279 -5.525 37.410 1.00 36.77 ? 484 TYR A CZ 1 ATOM 3874 O OH . TYR A 1 484 ? 23.179 -4.925 36.842 1.00 36.66 ? 484 TYR A OH 1 ATOM 3875 N N . LYS A 1 485 ? 30.413 -8.317 40.884 1.00 43.46 ? 485 LYS A N 1 ATOM 3876 C CA . LYS A 1 485 ? 31.341 -9.365 41.360 1.00 44.34 ? 485 LYS A CA 1 ATOM 3877 C C . LYS A 1 485 ? 31.577 -10.607 40.471 1.00 43.38 ? 485 LYS A C 1 ATOM 3878 O O . LYS A 1 485 ? 32.611 -11.280 40.595 1.00 42.71 ? 485 LYS A O 1 ATOM 3879 C CB . LYS A 1 485 ? 30.933 -9.732 42.796 1.00 44.12 ? 485 LYS A CB 1 ATOM 3880 C CG . LYS A 1 485 ? 30.814 -8.436 43.581 1.00 48.52 ? 485 LYS A CG 1 ATOM 3881 C CD . LYS A 1 485 ? 30.504 -8.544 45.063 1.00 51.99 ? 485 LYS A CD 1 ATOM 3882 C CE . LYS A 1 485 ? 30.205 -7.144 45.606 1.00 52.73 ? 485 LYS A CE 1 ATOM 3883 N NZ . LYS A 1 485 ? 31.174 -6.086 45.111 1.00 54.61 ? 485 LYS A NZ 1 ATOM 3884 N N . THR A 1 486 ? 30.627 -10.870 39.573 1.00 42.41 ? 486 THR A N 1 ATOM 3885 C CA . THR A 1 486 ? 30.679 -11.965 38.594 1.00 41.07 ? 486 THR A CA 1 ATOM 3886 C C . THR A 1 486 ? 29.695 -11.596 37.493 1.00 41.31 ? 486 THR A C 1 ATOM 3887 O O . THR A 1 486 ? 28.605 -11.090 37.775 1.00 40.80 ? 486 THR A O 1 ATOM 3888 C CB . THR A 1 486 ? 30.220 -13.307 39.167 1.00 39.97 ? 486 THR A CB 1 ATOM 3889 O OG1 . THR A 1 486 ? 29.913 -14.218 38.096 1.00 35.04 ? 486 THR A OG1 1 ATOM 3890 C CG2 . THR A 1 486 ? 28.948 -13.100 40.023 1.00 39.52 ? 486 THR A CG2 1 ATOM 3891 N N . PRO A 1 487 ? 30.051 -11.869 36.225 1.00 41.55 ? 487 PRO A N 1 ATOM 3892 C CA . PRO A 1 487 ? 29.171 -11.546 35.095 1.00 42.22 ? 487 PRO A CA 1 ATOM 3893 C C . PRO A 1 487 ? 27.919 -12.402 35.136 1.00 43.60 ? 487 PRO A C 1 ATOM 3894 O O . PRO A 1 487 ? 27.006 -12.235 34.322 1.00 45.97 ? 487 PRO A O 1 ATOM 3895 C CB . PRO A 1 487 ? 30.016 -11.878 33.867 1.00 42.07 ? 487 PRO A CB 1 ATOM 3896 C CG . PRO A 1 487 ? 31.399 -11.995 34.359 1.00 40.80 ? 487 PRO A CG 1 ATOM 3897 C CD . PRO A 1 487 ? 31.284 -12.525 35.759 1.00 40.87 ? 487 PRO A CD 1 ATOM 3898 N N . ASP A 1 488 ? 27.876 -13.349 36.063 1.00 43.19 ? 488 ASP A N 1 ATOM 3899 C CA . ASP A 1 488 ? 26.698 -14.194 36.169 1.00 41.30 ? 488 ASP A CA 1 ATOM 3900 C C . ASP A 1 488 ? 25.517 -13.396 36.710 1.00 40.56 ? 488 ASP A C 1 ATOM 3901 O O . ASP A 1 488 ? 24.361 -13.639 36.344 1.00 41.14 ? 488 ASP A O 1 ATOM 3902 C CB . ASP A 1 488 ? 27.009 -15.401 37.053 1.00 41.66 ? 488 ASP A CB 1 ATOM 3903 C CG . ASP A 1 488 ? 27.680 -16.526 36.281 1.00 41.74 ? 488 ASP A CG 1 ATOM 3904 O OD1 . ASP A 1 488 ? 28.050 -16.318 35.106 1.00 39.56 ? 488 ASP A OD1 1 ATOM 3905 O OD2 . ASP A 1 488 ? 27.834 -17.613 36.855 1.00 41.82 ? 488 ASP A OD2 1 ATOM 3906 N N . ASN A 1 489 ? 25.808 -12.410 37.548 1.00 38.97 ? 489 ASN A N 1 ATOM 3907 C CA . ASN A 1 489 ? 24.750 -11.590 38.134 1.00 38.77 ? 489 ASN A CA 1 ATOM 3908 C C . ASN A 1 489 ? 24.278 -10.378 37.311 1.00 38.74 ? 489 ASN A C 1 ATOM 3909 O O . ASN A 1 489 ? 23.280 -9.740 37.676 1.00 37.56 ? 489 ASN A O 1 ATOM 3910 C CB . ASN A 1 489 ? 25.171 -11.136 39.535 1.00 37.31 ? 489 ASN A CB 1 ATOM 3911 C CG . ASN A 1 489 ? 25.164 -12.275 40.535 1.00 35.90 ? 489 ASN A CG 1 ATOM 3912 O OD1 . ASN A 1 489 ? 25.053 -13.441 40.162 1.00 36.14 ? 489 ASN A OD1 1 ATOM 3913 N ND2 . ASN A 1 489 ? 25.290 -11.945 41.812 1.00 35.94 ? 489 ASN A ND2 1 ATOM 3914 N N . ILE A 1 490 ? 24.960 -10.076 36.203 1.00 37.11 ? 490 ILE A N 1 ATOM 3915 C CA . ILE A 1 490 ? 24.582 -8.936 35.377 1.00 36.88 ? 490 ILE A CA 1 ATOM 3916 C C . ILE A 1 490 ? 23.186 -9.050 34.762 1.00 35.99 ? 490 ILE A C 1 ATOM 3917 O O . ILE A 1 490 ? 22.864 -10.014 34.050 1.00 37.28 ? 490 ILE A O 1 ATOM 3918 C CB . ILE A 1 490 ? 25.608 -8.694 34.253 1.00 37.33 ? 490 ILE A CB 1 ATOM 3919 C CG1 . ILE A 1 490 ? 26.985 -8.432 34.871 1.00 39.58 ? 490 ILE A CG1 1 ATOM 3920 C CG2 . ILE A 1 490 ? 25.177 -7.497 33.407 1.00 36.08 ? 490 ILE A CG2 1 ATOM 3921 C CD1 . ILE A 1 490 ? 28.135 -8.472 33.864 1.00 36.65 ? 490 ILE A CD1 1 ATOM 3922 N N . ASP A 1 491 ? 22.358 -8.053 35.050 1.00 34.35 ? 491 ASP A N 1 ATOM 3923 C CA . ASP A 1 491 ? 20.995 -7.988 34.545 1.00 33.41 ? 491 ASP A CA 1 ATOM 3924 C C . ASP A 1 491 ? 20.964 -8.007 33.021 1.00 33.94 ? 491 ASP A C 1 ATOM 3925 O O . ASP A 1 491 ? 21.630 -7.208 32.368 1.00 34.18 ? 491 ASP A O 1 ATOM 3926 C CB . ASP A 1 491 ? 20.333 -6.737 35.100 1.00 31.78 ? 491 ASP A CB 1 ATOM 3927 C CG . ASP A 1 491 ? 20.311 -6.733 36.624 1.00 30.95 ? 491 ASP A CG 1 ATOM 3928 O OD1 . ASP A 1 491 ? 19.760 -7.683 37.204 1.00 27.34 ? 491 ASP A OD1 1 ATOM 3929 O OD2 . ASP A 1 491 ? 20.864 -5.798 37.233 1.00 31.52 ? 491 ASP A OD2 1 ATOM 3930 N N . ILE A 1 492 ? 20.187 -8.925 32.462 1.00 33.09 ? 492 ILE A N 1 ATOM 3931 C CA . ILE A 1 492 ? 20.118 -9.066 31.025 1.00 34.22 ? 492 ILE A CA 1 ATOM 3932 C C . ILE A 1 492 ? 20.110 -7.734 30.282 1.00 34.62 ? 492 ILE A C 1 ATOM 3933 O O . ILE A 1 492 ? 20.791 -7.568 29.271 1.00 34.20 ? 492 ILE A O 1 ATOM 3934 C CB . ILE A 1 492 ? 18.876 -9.901 30.605 1.00 34.93 ? 492 ILE A CB 1 ATOM 3935 C CG1 . ILE A 1 492 ? 19.011 -10.273 29.127 1.00 34.67 ? 492 ILE A CG1 1 ATOM 3936 C CG2 . ILE A 1 492 ? 17.572 -9.118 30.893 1.00 34.73 ? 492 ILE A CG2 1 ATOM 3937 C CD1 . ILE A 1 492 ? 20.423 -10.715 28.755 1.00 33.99 ? 492 ILE A CD1 1 ATOM 3938 N N . TRP A 1 493 ? 19.378 -6.769 30.824 1.00 35.09 ? 493 TRP A N 1 ATOM 3939 C CA . TRP A 1 493 ? 19.241 -5.453 30.199 1.00 36.31 ? 493 TRP A CA 1 ATOM 3940 C C . TRP A 1 493 ? 20.510 -4.658 29.933 1.00 35.64 ? 493 TRP A C 1 ATOM 3941 O O . TRP A 1 493 ? 20.853 -4.385 28.786 1.00 35.79 ? 493 TRP A O 1 ATOM 3942 C CB . TRP A 1 493 ? 18.311 -4.553 31.009 1.00 37.01 ? 493 TRP A CB 1 ATOM 3943 C CG . TRP A 1 493 ? 18.068 -3.267 30.299 1.00 36.53 ? 493 TRP A CG 1 ATOM 3944 C CD1 . TRP A 1 493 ? 17.303 -3.089 29.188 1.00 36.08 ? 493 TRP A CD1 1 ATOM 3945 C CD2 . TRP A 1 493 ? 18.637 -1.986 30.606 1.00 36.57 ? 493 TRP A CD2 1 ATOM 3946 N NE1 . TRP A 1 493 ? 17.360 -1.782 28.779 1.00 37.22 ? 493 TRP A NE1 1 ATOM 3947 C CE2 . TRP A 1 493 ? 18.171 -1.083 29.635 1.00 35.09 ? 493 TRP A CE2 1 ATOM 3948 C CE3 . TRP A 1 493 ? 19.495 -1.513 31.609 1.00 36.12 ? 493 TRP A CE3 1 ATOM 3949 C CZ2 . TRP A 1 493 ? 18.532 0.271 29.640 1.00 36.30 ? 493 TRP A CZ2 1 ATOM 3950 C CZ3 . TRP A 1 493 ? 19.852 -0.161 31.610 1.00 34.96 ? 493 TRP A CZ3 1 ATOM 3951 C CH2 . TRP A 1 493 ? 19.372 0.706 30.636 1.00 37.69 ? 493 TRP A CH2 1 ATOM 3952 N N . ILE A 1 494 ? 21.179 -4.210 30.985 1.00 36.33 ? 494 ILE A N 1 ATOM 3953 C CA . ILE A 1 494 ? 22.400 -3.465 30.738 1.00 36.09 ? 494 ILE A CA 1 ATOM 3954 C C . ILE A 1 494 ? 23.411 -4.466 30.180 1.00 35.14 ? 494 ILE A C 1 ATOM 3955 O O . ILE A 1 494 ? 24.178 -4.137 29.292 1.00 34.53 ? 494 ILE A O 1 ATOM 3956 C CB . ILE A 1 494 ? 22.923 -2.727 32.024 1.00 35.98 ? 494 ILE A CB 1 ATOM 3957 C CG1 . ILE A 1 494 ? 24.096 -1.795 31.659 1.00 36.68 ? 494 ILE A CG1 1 ATOM 3958 C CG2 . ILE A 1 494 ? 23.248 -3.733 33.121 1.00 34.83 ? 494 ILE A CG2 1 ATOM 3959 C CD1 . ILE A 1 494 ? 25.320 -2.478 31.048 1.00 38.96 ? 494 ILE A CD1 1 ATOM 3960 N N . GLY A 1 495 ? 23.375 -5.702 30.673 1.00 34.91 ? 495 GLY A N 1 ATOM 3961 C CA . GLY A 1 495 ? 24.298 -6.721 30.195 1.00 34.95 ? 495 GLY A CA 1 ATOM 3962 C C . GLY A 1 495 ? 24.326 -6.856 28.692 1.00 34.89 ? 495 GLY A C 1 ATOM 3963 O O . GLY A 1 495 ? 25.395 -6.904 28.080 1.00 34.35 ? 495 GLY A O 1 ATOM 3964 N N . GLY A 1 496 ? 23.141 -6.913 28.098 1.00 35.40 ? 496 GLY A N 1 ATOM 3965 C CA . GLY A 1 496 ? 23.052 -7.038 26.660 1.00 32.06 ? 496 GLY A CA 1 ATOM 3966 C C . GLY A 1 496 ? 23.335 -5.754 25.905 1.00 31.29 ? 496 GLY A C 1 ATOM 3967 O O . GLY A 1 496 ? 23.836 -5.782 24.777 1.00 30.48 ? 496 GLY A O 1 ATOM 3968 N N . ASN A 1 497 ? 23.020 -4.617 26.517 1.00 30.18 ? 497 ASN A N 1 ATOM 3969 C CA . ASN A 1 497 ? 23.243 -3.324 25.879 1.00 30.51 ? 497 ASN A CA 1 ATOM 3970 C C . ASN A 1 497 ? 24.661 -2.784 26.037 1.00 30.71 ? 497 ASN A C 1 ATOM 3971 O O . ASN A 1 497 ? 24.976 -1.718 25.524 1.00 32.27 ? 497 ASN A O 1 ATOM 3972 C CB . ASN A 1 497 ? 22.233 -2.302 26.403 1.00 29.40 ? 497 ASN A CB 1 ATOM 3973 C CG . ASN A 1 497 ? 20.853 -2.517 25.843 1.00 31.03 ? 497 ASN A CG 1 ATOM 3974 O OD1 . ASN A 1 497 ? 19.930 -2.954 26.546 1.00 34.05 ? 497 ASN A OD1 1 ATOM 3975 N ND2 . ASN A 1 497 ? 20.695 -2.209 24.558 1.00 26.32 ? 497 ASN A ND2 1 ATOM 3976 N N . ALA A 1 498 ? 25.515 -3.510 26.747 1.00 32.54 ? 498 ALA A N 1 ATOM 3977 C CA . ALA A 1 498 ? 26.901 -3.079 26.922 1.00 33.19 ? 498 ALA A CA 1 ATOM 3978 C C . ALA A 1 498 ? 27.758 -3.668 25.821 1.00 34.81 ? 498 ALA A C 1 ATOM 3979 O O . ALA A 1 498 ? 28.861 -3.192 25.560 1.00 36.70 ? 498 ALA A O 1 ATOM 3980 C CB . ALA A 1 498 ? 27.436 -3.502 28.303 1.00 33.11 ? 498 ALA A CB 1 ATOM 3981 N N . GLU A 1 499 ? 27.234 -4.692 25.152 1.00 35.54 ? 499 GLU A N 1 ATOM 3982 C CA . GLU A 1 499 ? 27.991 -5.326 24.086 1.00 37.67 ? 499 GLU A CA 1 ATOM 3983 C C . GLU A 1 499 ? 28.032 -4.475 22.827 1.00 39.31 ? 499 GLU A C 1 ATOM 3984 O O . GLU A 1 499 ? 26.993 -4.049 22.337 1.00 41.81 ? 499 GLU A O 1 ATOM 3985 C CB . GLU A 1 499 ? 27.417 -6.687 23.735 1.00 36.48 ? 499 GLU A CB 1 ATOM 3986 C CG . GLU A 1 499 ? 27.308 -7.652 24.899 1.00 37.22 ? 499 GLU A CG 1 ATOM 3987 C CD . GLU A 1 499 ? 26.858 -9.031 24.455 1.00 35.90 ? 499 GLU A CD 1 ATOM 3988 O OE1 . GLU A 1 499 ? 26.415 -9.162 23.295 1.00 37.20 ? 499 GLU A OE1 1 ATOM 3989 O OE2 . GLU A 1 499 ? 26.942 -9.979 25.266 1.00 31.56 ? 499 GLU A OE2 1 ATOM 3990 N N . PRO A 1 500 ? 29.240 -4.206 22.295 1.00 40.38 ? 500 PRO A N 1 ATOM 3991 C CA . PRO A 1 500 ? 29.388 -3.404 21.080 1.00 41.59 ? 500 PRO A CA 1 ATOM 3992 C C . PRO A 1 500 ? 28.362 -3.846 20.038 1.00 42.71 ? 500 PRO A C 1 ATOM 3993 O O . PRO A 1 500 ? 27.873 -4.969 20.081 1.00 42.28 ? 500 PRO A O 1 ATOM 3994 C CB . PRO A 1 500 ? 30.812 -3.716 20.650 1.00 40.87 ? 500 PRO A CB 1 ATOM 3995 C CG . PRO A 1 500 ? 31.532 -3.822 21.930 1.00 41.16 ? 500 PRO A CG 1 ATOM 3996 C CD . PRO A 1 500 ? 30.560 -4.589 22.834 1.00 41.67 ? 500 PRO A CD 1 ATOM 3997 N N . MET A 1 501 ? 28.050 -2.951 19.109 1.00 45.73 ? 501 MET A N 1 ATOM 3998 C CA . MET A 1 501 ? 27.080 -3.245 18.060 1.00 47.96 ? 501 MET A CA 1 ATOM 3999 C C . MET A 1 501 ? 27.743 -4.007 16.907 1.00 48.20 ? 501 MET A C 1 ATOM 4000 O O . MET A 1 501 ? 28.890 -3.734 16.539 1.00 49.12 ? 501 MET A O 1 ATOM 4001 C CB . MET A 1 501 ? 26.467 -1.935 17.530 1.00 48.97 ? 501 MET A CB 1 ATOM 4002 C CG . MET A 1 501 ? 26.016 -0.954 18.608 1.00 50.94 ? 501 MET A CG 1 ATOM 4003 S SD . MET A 1 501 ? 25.322 0.558 17.911 1.00 55.35 ? 501 MET A SD 1 ATOM 4004 C CE . MET A 1 501 ? 25.132 1.555 19.381 1.00 52.24 ? 501 MET A CE 1 ATOM 4005 N N . VAL A 1 502 ? 27.042 -4.954 16.333 1.00 48.63 ? 502 VAL A N 1 ATOM 4006 C CA . VAL A 1 502 ? 27.513 -5.775 15.227 1.00 47.72 ? 502 VAL A CA 1 ATOM 4007 C C . VAL A 1 502 ? 27.737 -4.951 14.004 1.00 49.05 ? 502 VAL A C 1 ATOM 4008 O O . VAL A 1 502 ? 27.408 -3.753 13.970 1.00 48.02 ? 502 VAL A O 1 ATOM 4009 C CB . VAL A 1 502 ? 26.520 -6.890 14.980 1.00 47.33 ? 502 VAL A CB 1 ATOM 4010 C CG1 . VAL A 1 502 ? 26.079 -7.521 16.293 1.00 45.53 ? 502 VAL A CG1 1 ATOM 4011 C CG2 . VAL A 1 502 ? 25.326 -6.355 14.204 1.00 45.77 ? 502 VAL A CG2 1 ATOM 4012 N N . GLU A 1 503 ? 28.293 -5.510 12.980 1.00 50.81 ? 503 GLU A N 1 ATOM 4013 C CA . GLU A 1 503 ? 28.517 -4.765 11.749 1.00 50.79 ? 503 GLU A CA 1 ATOM 4014 C C . GLU A 1 503 ? 27.218 -4.290 11.140 1.00 49.44 ? 503 GLU A C 1 ATOM 4015 O O . GLU A 1 503 ? 26.312 -5.110 10.983 1.00 47.58 ? 503 GLU A O 1 ATOM 4016 C CB . GLU A 1 503 ? 29.201 -5.672 10.718 1.00 52.92 ? 503 GLU A CB 1 ATOM 4017 C CG . GLU A 1 503 ? 30.558 -5.212 10.210 1.00 56.88 ? 503 GLU A CG 1 ATOM 4018 C CD . GLU A 1 503 ? 30.840 -5.582 8.736 1.00 61.50 ? 503 GLU A CD 1 ATOM 4019 O OE1 . GLU A 1 503 ? 31.923 -6.139 8.454 1.00 61.48 ? 503 GLU A OE1 1 ATOM 4020 O OE2 . GLU A 1 503 ? 29.965 -5.320 7.875 1.00 63.14 ? 503 GLU A OE2 1 ATOM 4021 N N . ARG A 1 504 ? 27.063 -3.009 10.789 1.00 48.92 ? 504 ARG A N 1 ATOM 4022 C CA . ARG A 1 504 ? 25.806 -2.597 10.137 1.00 49.05 ? 504 ARG A CA 1 ATOM 4023 C C . ARG A 1 504 ? 24.531 -2.845 10.937 1.00 47.80 ? 504 ARG A C 1 ATOM 4024 O O . ARG A 1 504 ? 23.444 -2.774 10.370 1.00 47.71 ? 504 ARG A O 1 ATOM 4025 C CB . ARG A 1 504 ? 25.673 -3.333 8.799 1.00 49.98 ? 504 ARG A CB 1 ATOM 4026 C CG . ARG A 1 504 ? 26.965 -3.393 7.999 1.00 53.01 ? 504 ARG A CG 1 ATOM 4027 C CD . ARG A 1 504 ? 27.306 -1.998 7.510 1.00 56.14 ? 504 ARG A CD 1 ATOM 4028 N NE . ARG A 1 504 ? 26.118 -1.338 6.995 1.00 58.09 ? 504 ARG A NE 1 ATOM 4029 C CZ . ARG A 1 504 ? 26.060 -0.074 6.595 1.00 57.14 ? 504 ARG A CZ 1 ATOM 4030 N NH1 . ARG A 1 504 ? 27.135 0.696 6.641 1.00 57.29 ? 504 ARG A NH1 1 ATOM 4031 N NH2 . ARG A 1 504 ? 24.909 0.425 6.136 1.00 56.85 ? 504 ARG A NH2 1 ATOM 4032 N N . GLY A 1 505 ? 24.617 -3.120 12.234 1.00 46.03 ? 505 GLY A N 1 ATOM 4033 C CA . GLY A 1 505 ? 23.401 -3.258 13.012 1.00 44.30 ? 505 GLY A CA 1 ATOM 4034 C C . GLY A 1 505 ? 23.349 -2.149 14.037 1.00 43.10 ? 505 GLY A C 1 ATOM 4035 O O . GLY A 1 505 ? 24.026 -1.142 13.888 1.00 44.72 ? 505 GLY A O 1 ATOM 4036 N N . ARG A 1 506 ? 22.553 -2.312 15.079 1.00 42.09 ? 506 ARG A N 1 ATOM 4037 C CA . ARG A 1 506 ? 22.508 -1.293 16.107 1.00 40.47 ? 506 ARG A CA 1 ATOM 4038 C C . ARG A 1 506 ? 22.418 -1.946 17.491 1.00 38.93 ? 506 ARG A C 1 ATOM 4039 O O . ARG A 1 506 ? 22.141 -1.296 18.499 1.00 38.28 ? 506 ARG A O 1 ATOM 4040 C CB . ARG A 1 506 ? 21.355 -0.309 15.840 1.00 40.44 ? 506 ARG A CB 1 ATOM 4041 C CG . ARG A 1 506 ? 21.691 0.807 14.796 1.00 40.18 ? 506 ARG A CG 1 ATOM 4042 C CD . ARG A 1 506 ? 22.845 1.749 15.250 1.00 40.21 ? 506 ARG A CD 1 ATOM 4043 N NE . ARG A 1 506 ? 23.193 2.782 14.259 1.00 38.07 ? 506 ARG A NE 1 ATOM 4044 C CZ . ARG A 1 506 ? 24.130 2.654 13.316 1.00 39.32 ? 506 ARG A CZ 1 ATOM 4045 N NH1 . ARG A 1 506 ? 24.837 1.540 13.218 1.00 36.94 ? 506 ARG A NH1 1 ATOM 4046 N NH2 . ARG A 1 506 ? 24.359 3.642 12.460 1.00 37.12 ? 506 ARG A NH2 1 ATOM 4047 N N . VAL A 1 507 ? 22.649 -3.254 17.523 1.00 37.17 ? 507 VAL A N 1 ATOM 4048 C CA . VAL A 1 507 ? 22.667 -4.015 18.770 1.00 35.62 ? 507 VAL A CA 1 ATOM 4049 C C . VAL A 1 507 ? 23.826 -5.010 18.646 1.00 35.91 ? 507 VAL A C 1 ATOM 4050 O O . VAL A 1 507 ? 24.342 -5.247 17.543 1.00 35.02 ? 507 VAL A O 1 ATOM 4051 C CB . VAL A 1 507 ? 21.322 -4.801 19.062 1.00 35.64 ? 507 VAL A CB 1 ATOM 4052 C CG1 . VAL A 1 507 ? 20.156 -3.829 19.138 1.00 34.86 ? 507 VAL A CG1 1 ATOM 4053 C CG2 . VAL A 1 507 ? 21.067 -5.894 18.017 1.00 34.01 ? 507 VAL A CG2 1 ATOM 4054 N N . GLY A 1 508 ? 24.232 -5.590 19.768 1.00 36.06 ? 508 GLY A N 1 ATOM 4055 C CA . GLY A 1 508 ? 25.329 -6.534 19.748 1.00 36.58 ? 508 GLY A CA 1 ATOM 4056 C C . GLY A 1 508 ? 24.919 -7.951 19.397 1.00 36.66 ? 508 GLY A C 1 ATOM 4057 O O . GLY A 1 508 ? 23.847 -8.162 18.841 1.00 39.16 ? 508 GLY A O 1 ATOM 4058 N N . PRO A 1 509 ? 25.765 -8.946 19.708 1.00 36.50 ? 509 PRO A N 1 ATOM 4059 C CA . PRO A 1 509 ? 25.529 -10.374 19.448 1.00 36.56 ? 509 PRO A CA 1 ATOM 4060 C C . PRO A 1 509 ? 24.343 -10.885 20.258 1.00 36.78 ? 509 PRO A C 1 ATOM 4061 O O . PRO A 1 509 ? 23.325 -11.302 19.709 1.00 38.19 ? 509 PRO A O 1 ATOM 4062 C CB . PRO A 1 509 ? 26.815 -11.049 19.931 1.00 37.91 ? 509 PRO A CB 1 ATOM 4063 C CG . PRO A 1 509 ? 27.826 -9.957 20.050 1.00 36.23 ? 509 PRO A CG 1 ATOM 4064 C CD . PRO A 1 509 ? 27.030 -8.741 20.440 1.00 36.42 ? 509 PRO A CD 1 ATOM 4065 N N . LEU A 1 510 ? 24.506 -10.838 21.575 1.00 36.28 ? 510 LEU A N 1 ATOM 4066 C CA . LEU A 1 510 ? 23.510 -11.294 22.524 1.00 36.57 ? 510 LEU A CA 1 ATOM 4067 C C . LEU A 1 510 ? 22.111 -10.834 22.169 1.00 36.46 ? 510 LEU A C 1 ATOM 4068 O O . LEU A 1 510 ? 21.167 -11.624 22.149 1.00 35.97 ? 510 LEU A O 1 ATOM 4069 C CB . LEU A 1 510 ? 23.846 -10.797 23.930 1.00 38.11 ? 510 LEU A CB 1 ATOM 4070 C CG . LEU A 1 510 ? 22.889 -11.499 24.894 1.00 39.52 ? 510 LEU A CG 1 ATOM 4071 C CD1 . LEU A 1 510 ? 22.875 -12.991 24.590 1.00 39.27 ? 510 LEU A CD1 1 ATOM 4072 C CD2 . LEU A 1 510 ? 23.304 -11.255 26.342 1.00 38.51 ? 510 LEU A CD2 1 ATOM 4073 N N . LEU A 1 511 ? 21.976 -9.546 21.894 1.00 34.70 ? 511 LEU A N 1 ATOM 4074 C CA . LEU A 1 511 ? 20.681 -8.961 21.550 1.00 34.55 ? 511 LEU A CA 1 ATOM 4075 C C . LEU A 1 511 ? 20.207 -9.368 20.152 1.00 34.83 ? 511 LEU A C 1 ATOM 4076 O O . LEU A 1 511 ? 19.038 -9.671 19.958 1.00 34.33 ? 511 LEU A O 1 ATOM 4077 C CB . LEU A 1 511 ? 20.770 -7.430 21.684 1.00 32.77 ? 511 LEU A CB 1 ATOM 4078 C CG . LEU A 1 511 ? 20.205 -6.770 22.964 1.00 31.46 ? 511 LEU A CG 1 ATOM 4079 C CD1 . LEU A 1 511 ? 20.146 -7.746 24.135 1.00 30.57 ? 511 LEU A CD1 1 ATOM 4080 C CD2 . LEU A 1 511 ? 21.018 -5.554 23.281 1.00 31.17 ? 511 LEU A CD2 1 ATOM 4081 N N . ALA A 1 512 ? 21.109 -9.379 19.174 1.00 36.27 ? 512 ALA A N 1 ATOM 4082 C CA . ALA A 1 512 ? 20.726 -9.787 17.813 1.00 35.79 ? 512 ALA A CA 1 ATOM 4083 C C . ALA A 1 512 ? 20.204 -11.225 17.841 1.00 35.75 ? 512 ALA A C 1 ATOM 4084 O O . ALA A 1 512 ? 19.378 -11.619 17.029 1.00 35.36 ? 512 ALA A O 1 ATOM 4085 C CB . ALA A 1 512 ? 21.903 -9.696 16.882 1.00 34.89 ? 512 ALA A CB 1 ATOM 4086 N N . CYS A 1 513 ? 20.701 -12.021 18.773 1.00 36.12 ? 513 CYS A N 1 ATOM 4087 C CA . CYS A 1 513 ? 20.234 -13.391 18.870 1.00 36.78 ? 513 CYS A CA 1 ATOM 4088 C C . CYS A 1 513 ? 18.850 -13.397 19.463 1.00 36.11 ? 513 CYS A C 1 ATOM 4089 O O . CYS A 1 513 ? 17.914 -13.929 18.851 1.00 36.34 ? 513 CYS A O 1 ATOM 4090 C CB . CYS A 1 513 ? 21.176 -14.223 19.720 1.00 35.69 ? 513 CYS A CB 1 ATOM 4091 S SG . CYS A 1 513 ? 20.491 -15.820 20.285 1.00 38.51 ? 513 CYS A SG 1 ATOM 4092 N N . LEU A 1 514 ? 18.706 -12.781 20.634 1.00 35.12 ? 514 LEU A N 1 ATOM 4093 C CA . LEU A 1 514 ? 17.406 -12.709 21.273 1.00 35.21 ? 514 LEU A CA 1 ATOM 4094 C C . LEU A 1 514 ? 16.378 -12.027 20.346 1.00 34.59 ? 514 LEU A C 1 ATOM 4095 O O . LEU A 1 514 ? 15.289 -12.559 20.127 1.00 31.25 ? 514 LEU A O 1 ATOM 4096 C CB . LEU A 1 514 ? 17.508 -11.952 22.600 1.00 35.18 ? 514 LEU A CB 1 ATOM 4097 C CG . LEU A 1 514 ? 18.425 -12.500 23.725 1.00 37.74 ? 514 LEU A CG 1 ATOM 4098 C CD1 . LEU A 1 514 ? 18.318 -11.633 24.973 1.00 37.02 ? 514 LEU A CD1 1 ATOM 4099 C CD2 . LEU A 1 514 ? 18.051 -13.917 24.028 1.00 34.04 ? 514 LEU A CD2 1 ATOM 4100 N N . LEU A 1 515 ? 16.719 -10.860 19.803 1.00 34.98 ? 515 LEU A N 1 ATOM 4101 C CA . LEU A 1 515 ? 15.819 -10.160 18.885 1.00 35.90 ? 515 LEU A CA 1 ATOM 4102 C C . LEU A 1 515 ? 15.464 -11.055 17.695 1.00 36.62 ? 515 LEU A C 1 ATOM 4103 O O . LEU A 1 515 ? 14.306 -11.425 17.513 1.00 36.70 ? 515 LEU A O 1 ATOM 4104 C CB . LEU A 1 515 ? 16.478 -8.878 18.352 1.00 35.66 ? 515 LEU A CB 1 ATOM 4105 C CG . LEU A 1 515 ? 16.575 -7.669 19.295 1.00 34.32 ? 515 LEU A CG 1 ATOM 4106 C CD1 . LEU A 1 515 ? 17.109 -6.476 18.501 1.00 34.59 ? 515 LEU A CD1 1 ATOM 4107 C CD2 . LEU A 1 515 ? 15.219 -7.363 19.918 1.00 34.52 ? 515 LEU A CD2 1 ATOM 4108 N N . GLY A 1 516 ? 16.476 -11.375 16.885 1.00 37.04 ? 516 GLY A N 1 ATOM 4109 C CA . GLY A 1 516 ? 16.286 -12.204 15.704 1.00 38.42 ? 516 GLY A CA 1 ATOM 4110 C C . GLY A 1 516 ? 15.349 -13.387 15.878 1.00 39.47 ? 516 GLY A C 1 ATOM 4111 O O . GLY A 1 516 ? 14.405 -13.577 15.103 1.00 40.65 ? 516 GLY A O 1 ATOM 4112 N N . ARG A 1 517 ? 15.599 -14.185 16.904 1.00 39.73 ? 517 ARG A N 1 ATOM 4113 C CA . ARG A 1 517 ? 14.787 -15.367 17.171 1.00 42.18 ? 517 ARG A CA 1 ATOM 4114 C C . ARG A 1 517 ? 13.299 -15.018 17.355 1.00 42.00 ? 517 ARG A C 1 ATOM 4115 O O . ARG A 1 517 ? 12.442 -15.665 16.761 1.00 43.40 ? 517 ARG A O 1 ATOM 4116 C CB . ARG A 1 517 ? 15.358 -16.060 18.405 1.00 43.88 ? 517 ARG A CB 1 ATOM 4117 C CG . ARG A 1 517 ? 14.988 -17.494 18.608 1.00 47.06 ? 517 ARG A CG 1 ATOM 4118 C CD . ARG A 1 517 ? 15.475 -17.879 20.002 1.00 49.88 ? 517 ARG A CD 1 ATOM 4119 N NE . ARG A 1 517 ? 16.924 -18.016 20.085 1.00 51.90 ? 517 ARG A NE 1 ATOM 4120 C CZ . ARG A 1 517 ? 17.584 -19.108 19.713 1.00 53.42 ? 517 ARG A CZ 1 ATOM 4121 N NH1 . ARG A 1 517 ? 16.912 -20.157 19.232 1.00 51.24 ? 517 ARG A NH1 1 ATOM 4122 N NH2 . ARG A 1 517 ? 18.910 -19.151 19.829 1.00 52.49 ? 517 ARG A NH2 1 ATOM 4123 N N . GLN A 1 518 ? 12.991 -13.985 18.138 1.00 39.85 ? 518 GLN A N 1 ATOM 4124 C CA . GLN A 1 518 ? 11.593 -13.595 18.355 1.00 38.69 ? 518 GLN A CA 1 ATOM 4125 C C . GLN A 1 518 ? 10.849 -13.241 17.072 1.00 37.79 ? 518 GLN A C 1 ATOM 4126 O O . GLN A 1 518 ? 9.786 -13.805 16.794 1.00 35.89 ? 518 GLN A O 1 ATOM 4127 C CB . GLN A 1 518 ? 11.506 -12.403 19.310 1.00 39.09 ? 518 GLN A CB 1 ATOM 4128 C CG . GLN A 1 518 ? 10.083 -12.114 19.843 1.00 39.66 ? 518 GLN A CG 1 ATOM 4129 C CD . GLN A 1 518 ? 9.619 -13.141 20.864 1.00 39.18 ? 518 GLN A CD 1 ATOM 4130 O OE1 . GLN A 1 518 ? 10.212 -13.294 21.942 1.00 38.69 ? 518 GLN A OE1 1 ATOM 4131 N NE2 . GLN A 1 518 ? 8.558 -13.857 20.524 1.00 39.19 ? 518 GLN A NE2 1 ATOM 4132 N N . PHE A 1 519 ? 11.404 -12.305 16.300 1.00 38.76 ? 519 PHE A N 1 ATOM 4133 C CA . PHE A 1 519 ? 10.771 -11.879 15.057 1.00 39.59 ? 519 PHE A CA 1 ATOM 4134 C C . PHE A 1 519 ? 10.647 -13.017 14.054 1.00 41.34 ? 519 PHE A C 1 ATOM 4135 O O . PHE A 1 519 ? 9.631 -13.117 13.362 1.00 42.42 ? 519 PHE A O 1 ATOM 4136 C CB . PHE A 1 519 ? 11.525 -10.689 14.445 1.00 37.76 ? 519 PHE A CB 1 ATOM 4137 C CG . PHE A 1 519 ? 11.379 -9.395 15.240 1.00 35.92 ? 519 PHE A CG 1 ATOM 4138 C CD1 . PHE A 1 519 ? 10.201 -8.649 15.195 1.00 35.38 ? 519 PHE A CD1 1 ATOM 4139 C CD2 . PHE A 1 519 ? 12.403 -8.955 16.067 1.00 34.17 ? 519 PHE A CD2 1 ATOM 4140 C CE1 . PHE A 1 519 ? 10.057 -7.477 15.965 1.00 36.75 ? 519 PHE A CE1 1 ATOM 4141 C CE2 . PHE A 1 519 ? 12.260 -7.788 16.849 1.00 34.28 ? 519 PHE A CE2 1 ATOM 4142 C CZ . PHE A 1 519 ? 11.095 -7.054 16.796 1.00 34.81 ? 519 PHE A CZ 1 ATOM 4143 N N . GLN A 1 520 ? 11.665 -13.875 13.972 1.00 41.80 ? 520 GLN A N 1 ATOM 4144 C CA . GLN A 1 520 ? 11.598 -15.011 13.058 1.00 43.17 ? 520 GLN A CA 1 ATOM 4145 C C . GLN A 1 520 ? 10.306 -15.713 13.420 1.00 44.08 ? 520 GLN A C 1 ATOM 4146 O O . GLN A 1 520 ? 9.475 -16.026 12.556 1.00 44.96 ? 520 GLN A O 1 ATOM 4147 C CB . GLN A 1 520 ? 12.794 -15.961 13.272 1.00 43.25 ? 520 GLN A CB 1 ATOM 4148 C CG . GLN A 1 520 ? 12.672 -17.328 12.570 1.00 42.36 ? 520 GLN A CG 1 ATOM 4149 C CD . GLN A 1 520 ? 12.172 -18.430 13.482 1.00 41.84 ? 520 GLN A CD 1 ATOM 4150 O OE1 . GLN A 1 520 ? 11.184 -19.126 13.181 1.00 39.39 ? 520 GLN A OE1 1 ATOM 4151 N NE2 . GLN A 1 520 ? 12.872 -18.614 14.602 1.00 40.55 ? 520 GLN A NE2 1 ATOM 4152 N N . GLN A 1 521 ? 10.143 -15.931 14.720 1.00 43.68 ? 521 GLN A N 1 ATOM 4153 C CA . GLN A 1 521 ? 8.963 -16.592 15.236 1.00 43.92 ? 521 GLN A CA 1 ATOM 4154 C C . GLN A 1 521 ? 7.628 -15.879 15.129 1.00 45.02 ? 521 GLN A C 1 ATOM 4155 O O . GLN A 1 521 ? 6.619 -16.533 14.877 1.00 46.31 ? 521 GLN A O 1 ATOM 4156 C CB . GLN A 1 521 ? 9.161 -16.956 16.685 1.00 44.27 ? 521 GLN A CB 1 ATOM 4157 C CG . GLN A 1 521 ? 10.006 -18.155 16.914 1.00 42.82 ? 521 GLN A CG 1 ATOM 4158 C CD . GLN A 1 521 ? 10.146 -18.391 18.386 1.00 45.37 ? 521 GLN A CD 1 ATOM 4159 O OE1 . GLN A 1 521 ? 9.161 -18.320 19.148 1.00 48.23 ? 521 GLN A OE1 1 ATOM 4160 N NE2 . GLN A 1 521 ? 11.361 -18.682 18.811 1.00 45.87 ? 521 GLN A NE2 1 ATOM 4161 N N . ILE A 1 522 ? 7.556 -14.571 15.350 1.00 45.70 ? 522 ILE A N 1 ATOM 4162 C CA . ILE A 1 522 ? 6.229 -13.990 15.239 1.00 46.82 ? 522 ILE A CA 1 ATOM 4163 C C . ILE A 1 522 ? 5.785 -13.979 13.782 1.00 47.33 ? 522 ILE A C 1 ATOM 4164 O O . ILE A 1 522 ? 4.587 -13.989 13.501 1.00 48.85 ? 522 ILE A O 1 ATOM 4165 C CB . ILE A 1 522 ? 6.103 -12.561 15.897 1.00 46.92 ? 522 ILE A CB 1 ATOM 4166 C CG1 . ILE A 1 522 ? 6.883 -11.508 15.106 1.00 45.91 ? 522 ILE A CG1 1 ATOM 4167 C CG2 . ILE A 1 522 ? 6.511 -12.630 17.367 1.00 47.60 ? 522 ILE A CG2 1 ATOM 4168 C CD1 . ILE A 1 522 ? 6.041 -10.834 14.035 1.00 45.53 ? 522 ILE A CD1 1 ATOM 4169 N N . ARG A 1 523 ? 6.741 -14.000 12.855 1.00 46.95 ? 523 ARG A N 1 ATOM 4170 C CA . ARG A 1 523 ? 6.410 -14.039 11.430 1.00 46.40 ? 523 ARG A CA 1 ATOM 4171 C C . ARG A 1 523 ? 6.065 -15.455 10.945 1.00 46.49 ? 523 ARG A C 1 ATOM 4172 O O . ARG A 1 523 ? 5.023 -15.656 10.313 1.00 45.79 ? 523 ARG A O 1 ATOM 4173 C CB . ARG A 1 523 ? 7.559 -13.504 10.571 1.00 46.51 ? 523 ARG A CB 1 ATOM 4174 C CG . ARG A 1 523 ? 7.495 -13.965 9.104 1.00 46.41 ? 523 ARG A CG 1 ATOM 4175 C CD . ARG A 1 523 ? 8.823 -13.771 8.372 1.00 45.84 ? 523 ARG A CD 1 ATOM 4176 N NE . ARG A 1 523 ? 9.715 -14.930 8.477 1.00 45.36 ? 523 ARG A NE 1 ATOM 4177 C CZ . ARG A 1 523 ? 10.871 -15.040 7.827 1.00 44.15 ? 523 ARG A CZ 1 ATOM 4178 N NH1 . ARG A 1 523 ? 11.288 -14.072 7.024 1.00 45.48 ? 523 ARG A NH1 1 ATOM 4179 N NH2 . ARG A 1 523 ? 11.617 -16.120 7.972 1.00 45.48 ? 523 ARG A NH2 1 ATOM 4180 N N . ASP A 1 524 ? 6.932 -16.430 11.221 1.00 45.97 ? 524 ASP A N 1 ATOM 4181 C CA . ASP A 1 524 ? 6.678 -17.806 10.777 1.00 47.45 ? 524 ASP A CA 1 ATOM 4182 C C . ASP A 1 524 ? 5.447 -18.464 11.369 1.00 48.46 ? 524 ASP A C 1 ATOM 4183 O O . ASP A 1 524 ? 4.791 -19.279 10.715 1.00 47.59 ? 524 ASP A O 1 ATOM 4184 C CB . ASP A 1 524 ? 7.870 -18.705 11.070 1.00 45.68 ? 524 ASP A CB 1 ATOM 4185 C CG . ASP A 1 524 ? 9.055 -18.387 10.211 1.00 46.26 ? 524 ASP A CG 1 ATOM 4186 O OD1 . ASP A 1 524 ? 8.891 -17.635 9.233 1.00 45.81 ? 524 ASP A OD1 1 ATOM 4187 O OD2 . ASP A 1 524 ? 10.134 -18.913 10.521 1.00 45.98 ? 524 ASP A OD2 1 ATOM 4188 N N . GLY A 1 525 ? 5.140 -18.130 12.614 1.00 49.11 ? 525 GLY A N 1 ATOM 4189 C CA . GLY A 1 525 ? 3.979 -18.717 13.242 1.00 49.00 ? 525 GLY A CA 1 ATOM 4190 C C . GLY A 1 525 ? 2.751 -17.842 13.087 1.00 50.58 ? 525 GLY A C 1 ATOM 4191 O O . GLY A 1 525 ? 1.771 -18.022 13.804 1.00 52.52 ? 525 GLY A O 1 ATOM 4192 N N . ASP A 1 526 ? 2.784 -16.887 12.167 1.00 51.12 ? 526 ASP A N 1 ATOM 4193 C CA . ASP A 1 526 ? 1.634 -16.010 11.974 1.00 52.33 ? 526 ASP A CA 1 ATOM 4194 C C . ASP A 1 526 ? 0.762 -16.487 10.814 1.00 53.39 ? 526 ASP A C 1 ATOM 4195 O O . ASP A 1 526 ? 1.167 -16.381 9.653 1.00 54.21 ? 526 ASP A O 1 ATOM 4196 C CB . ASP A 1 526 ? 2.104 -14.585 11.696 1.00 51.26 ? 526 ASP A CB 1 ATOM 4197 C CG . ASP A 1 526 ? 0.963 -13.646 11.465 1.00 49.02 ? 526 ASP A CG 1 ATOM 4198 O OD1 . ASP A 1 526 ? -0.180 -14.118 11.388 1.00 47.63 ? 526 ASP A OD1 1 ATOM 4199 O OD2 . ASP A 1 526 ? 1.215 -12.441 11.356 1.00 48.75 ? 526 ASP A OD2 1 ATOM 4200 N N . ARG A 1 527 ? -0.437 -16.987 11.114 1.00 54.34 ? 527 ARG A N 1 ATOM 4201 C CA . ARG A 1 527 ? -1.335 -17.488 10.069 1.00 54.63 ? 527 ARG A CA 1 ATOM 4202 C C . ARG A 1 527 ? -1.918 -16.439 9.118 1.00 55.13 ? 527 ARG A C 1 ATOM 4203 O O . ARG A 1 527 ? -2.460 -16.788 8.064 1.00 56.77 ? 527 ARG A O 1 ATOM 4204 C CB . ARG A 1 527 ? -2.472 -18.316 10.665 1.00 54.18 ? 527 ARG A CB 1 ATOM 4205 C CG . ARG A 1 527 ? -3.415 -18.841 9.576 1.00 55.41 ? 527 ARG A CG 1 ATOM 4206 C CD . ARG A 1 527 ? -4.291 -19.994 10.053 1.00 56.87 ? 527 ARG A CD 1 ATOM 4207 N NE . ARG A 1 527 ? -5.453 -19.501 10.783 1.00 58.85 ? 527 ARG A NE 1 ATOM 4208 C CZ . ARG A 1 527 ? -6.541 -18.981 10.216 1.00 58.54 ? 527 ARG A CZ 1 ATOM 4209 N NH1 . ARG A 1 527 ? -6.634 -18.880 8.896 1.00 58.79 ? 527 ARG A NH1 1 ATOM 4210 N NH2 . ARG A 1 527 ? -7.550 -18.576 10.979 1.00 59.04 ? 527 ARG A NH2 1 ATOM 4211 N N . PHE A 1 528 ? -1.800 -15.162 9.502 1.00 54.29 ? 528 PHE A N 1 ATOM 4212 C CA . PHE A 1 528 ? -2.363 -14.098 8.706 1.00 55.02 ? 528 PHE A CA 1 ATOM 4213 C C . PHE A 1 528 ? -1.319 -13.197 8.082 1.00 56.29 ? 528 PHE A C 1 ATOM 4214 O O . PHE A 1 528 ? -1.552 -12.031 7.743 1.00 56.63 ? 528 PHE A O 1 ATOM 4215 C CB . PHE A 1 528 ? -3.399 -13.341 9.528 1.00 54.17 ? 528 PHE A CB 1 ATOM 4216 C CG . PHE A 1 528 ? -4.681 -14.120 9.471 1.00 53.72 ? 528 PHE A CG 1 ATOM 4217 C CD1 . PHE A 1 528 ? -5.008 -15.035 10.457 1.00 53.88 ? 528 PHE A CD1 1 ATOM 4218 C CD2 . PHE A 1 528 ? -5.546 -13.938 8.407 1.00 52.80 ? 528 PHE A CD2 1 ATOM 4219 C CE1 . PHE A 1 528 ? -6.205 -15.764 10.379 1.00 54.26 ? 528 PHE A CE1 1 ATOM 4220 C CE2 . PHE A 1 528 ? -6.720 -14.651 8.312 1.00 52.72 ? 528 PHE A CE2 1 ATOM 4221 C CZ . PHE A 1 528 ? -7.060 -15.569 9.295 1.00 53.10 ? 528 PHE A CZ 1 ATOM 4222 N N . TRP A 1 529 ? -0.196 -13.777 7.949 1.00 58.40 ? 529 TRP A N 1 ATOM 4223 C CA . TRP A 1 529 ? 0.880 -13.108 7.332 1.00 59.61 ? 529 TRP A CA 1 ATOM 4224 C C . TRP A 1 529 ? 0.546 -12.763 5.855 1.00 59.99 ? 529 TRP A C 1 ATOM 4225 O O . TRP A 1 529 ? -0.083 -13.555 5.139 1.00 60.31 ? 529 TRP A O 1 ATOM 4226 C CB . TRP A 1 529 ? 2.108 -13.993 7.484 1.00 59.91 ? 529 TRP A CB 1 ATOM 4227 C CG . TRP A 1 529 ? 3.278 -13.291 6.926 1.00 61.08 ? 529 TRP A CG 1 ATOM 4228 C CD1 . TRP A 1 529 ? 3.816 -13.500 5.700 1.00 61.12 ? 529 TRP A CD1 1 ATOM 4229 C CD2 . TRP A 1 529 ? 4.037 -12.255 7.567 1.00 61.46 ? 529 TRP A CD2 1 ATOM 4230 N NE1 . TRP A 1 529 ? 4.867 -12.651 5.528 1.00 62.36 ? 529 TRP A NE1 1 ATOM 4231 C CE2 . TRP A 1 529 ? 5.027 -11.875 6.646 1.00 61.84 ? 529 TRP A CE2 1 ATOM 4232 C CE3 . TRP A 1 529 ? 3.977 -11.607 8.808 1.00 61.47 ? 529 TRP A CE3 1 ATOM 4233 C CZ2 . TRP A 1 529 ? 5.955 -10.868 6.921 1.00 62.62 ? 529 TRP A CZ2 1 ATOM 4234 C CZ3 . TRP A 1 529 ? 4.900 -10.604 9.082 1.00 62.32 ? 529 TRP A CZ3 1 ATOM 4235 C CH2 . TRP A 1 529 ? 5.875 -10.248 8.144 1.00 63.02 ? 529 TRP A CH2 1 ATOM 4236 N N . TRP A 1 530 ? 0.944 -11.547 5.439 1.00 60.39 ? 530 TRP A N 1 ATOM 4237 C CA . TRP A 1 530 ? 0.659 -11.026 4.120 1.00 60.91 ? 530 TRP A CA 1 ATOM 4238 C C . TRP A 1 530 ? 1.269 -11.810 2.925 1.00 61.39 ? 530 TRP A C 1 ATOM 4239 O O . TRP A 1 530 ? 0.621 -11.927 1.897 1.00 62.93 ? 530 TRP A O 1 ATOM 4240 C CB . TRP A 1 530 ? 1.039 -9.569 4.071 1.00 59.76 ? 530 TRP A CB 1 ATOM 4241 C CG . TRP A 1 530 ? 2.484 -9.374 3.861 1.00 58.13 ? 530 TRP A CG 1 ATOM 4242 C CD1 . TRP A 1 530 ? 3.434 -9.451 4.835 1.00 56.57 ? 530 TRP A CD1 1 ATOM 4243 C CD2 . TRP A 1 530 ? 3.172 -9.105 2.644 1.00 57.91 ? 530 TRP A CD2 1 ATOM 4244 N NE1 . TRP A 1 530 ? 4.681 -9.246 4.295 1.00 56.14 ? 530 TRP A NE1 1 ATOM 4245 C CE2 . TRP A 1 530 ? 4.547 -9.035 2.949 1.00 57.20 ? 530 TRP A CE2 1 ATOM 4246 C CE3 . TRP A 1 530 ? 2.761 -8.919 1.320 1.00 57.08 ? 530 TRP A CE3 1 ATOM 4247 C CZ2 . TRP A 1 530 ? 5.511 -8.787 1.977 1.00 56.67 ? 530 TRP A CZ2 1 ATOM 4248 C CZ3 . TRP A 1 530 ? 3.723 -8.672 0.352 1.00 56.21 ? 530 TRP A CZ3 1 ATOM 4249 C CH2 . TRP A 1 530 ? 5.078 -8.610 0.684 1.00 55.30 ? 530 TRP A CH2 1 ATOM 4250 N N . GLU A 1 531 ? 2.473 -12.392 3.063 1.00 61.64 ? 531 GLU A N 1 ATOM 4251 C CA . GLU A 1 531 ? 3.060 -13.213 1.982 1.00 61.81 ? 531 GLU A CA 1 ATOM 4252 C C . GLU A 1 531 ? 2.394 -14.628 1.913 1.00 62.18 ? 531 GLU A C 1 ATOM 4253 O O . GLU A 1 531 ? 2.322 -15.237 0.848 1.00 63.02 ? 531 GLU A O 1 ATOM 4254 C CB . GLU A 1 531 ? 4.576 -13.351 2.213 1.00 61.75 ? 531 GLU A CB 1 ATOM 4255 C CG . GLU A 1 531 ? 5.427 -12.110 2.043 1.00 59.88 ? 531 GLU A CG 1 ATOM 4256 C CD . GLU A 1 531 ? 6.738 -12.383 1.293 1.00 60.43 ? 531 GLU A CD 1 ATOM 4257 O OE1 . GLU A 1 531 ? 7.755 -12.690 1.940 1.00 59.81 ? 531 GLU A OE1 1 ATOM 4258 O OE2 . GLU A 1 531 ? 6.747 -12.290 0.046 1.00 59.82 ? 531 GLU A OE2 1 ATOM 4259 N N . ASN A 1 532 ? 1.911 -15.138 3.111 1.00 62.53 ? 532 ASN A N 1 ATOM 4260 C CA . ASN A 1 532 ? 1.209 -16.449 3.407 1.00 61.90 ? 532 ASN A CA 1 ATOM 4261 C C . ASN A 1 532 ? 0.223 -16.760 2.333 1.00 60.84 ? 532 ASN A C 1 ATOM 4262 O O . ASN A 1 532 ? -0.882 -16.215 2.297 1.00 59.96 ? 532 ASN A O 1 ATOM 4263 C CB . ASN A 1 532 ? 0.544 -16.391 4.798 1.00 62.24 ? 532 ASN A CB 1 ATOM 4264 C CG . ASN A 1 532 ? 0.063 -17.725 5.329 1.00 62.70 ? 532 ASN A CG 1 ATOM 4265 O OD1 . ASN A 1 532 ? 0.602 -18.787 5.021 1.00 63.41 ? 532 ASN A OD1 1 ATOM 4266 N ND2 . ASN A 1 532 ? -0.966 -17.686 6.163 1.00 63.61 ? 532 ASN A ND2 1 ATOM 4267 N N . PRO A 1 533 ? 0.631 -17.681 1.476 1.00 59.96 ? 533 PRO A N 1 ATOM 4268 C CA . PRO A 1 533 ? -0.143 -17.853 0.253 1.00 59.01 ? 533 PRO A CA 1 ATOM 4269 C C . PRO A 1 533 ? -1.587 -17.848 0.530 1.00 58.00 ? 533 PRO A C 1 ATOM 4270 O O . PRO A 1 533 ? -2.018 -18.354 1.556 1.00 57.44 ? 533 PRO A O 1 ATOM 4271 C CB . PRO A 1 533 ? 0.508 -19.060 -0.386 1.00 59.14 ? 533 PRO A CB 1 ATOM 4272 C CG . PRO A 1 533 ? 1.954 -18.802 -0.037 1.00 59.02 ? 533 PRO A CG 1 ATOM 4273 C CD . PRO A 1 533 ? 2.039 -17.968 1.210 1.00 59.21 ? 533 PRO A CD 1 ATOM 4274 N N . GLY A 1 534 ? -2.387 -17.293 -0.368 1.00 57.57 ? 534 GLY A N 1 ATOM 4275 C CA . GLY A 1 534 ? -3.817 -17.345 -0.124 1.00 59.19 ? 534 GLY A CA 1 ATOM 4276 C C . GLY A 1 534 ? -4.350 -16.205 0.715 1.00 59.88 ? 534 GLY A C 1 ATOM 4277 O O . GLY A 1 534 ? -5.463 -15.719 0.496 1.00 60.25 ? 534 GLY A O 1 ATOM 4278 N N . VAL A 1 535 ? -3.542 -15.783 1.681 1.00 61.01 ? 535 VAL A N 1 ATOM 4279 C CA . VAL A 1 535 ? -3.872 -14.684 2.588 1.00 61.99 ? 535 VAL A CA 1 ATOM 4280 C C . VAL A 1 535 ? -4.149 -13.414 1.792 1.00 63.08 ? 535 VAL A C 1 ATOM 4281 O O . VAL A 1 535 ? -5.025 -12.622 2.144 1.00 63.50 ? 535 VAL A O 1 ATOM 4282 C CB . VAL A 1 535 ? -2.704 -14.437 3.571 1.00 62.02 ? 535 VAL A CB 1 ATOM 4283 C CG1 . VAL A 1 535 ? -2.722 -13.019 4.073 1.00 61.85 ? 535 VAL A CG1 1 ATOM 4284 C CG2 . VAL A 1 535 ? -2.813 -15.400 4.730 1.00 61.96 ? 535 VAL A CG2 1 ATOM 4285 N N . PHE A 1 536 ? -3.392 -13.229 0.717 1.00 63.97 ? 536 PHE A N 1 ATOM 4286 C CA . PHE A 1 536 ? -3.567 -12.074 -0.151 1.00 65.43 ? 536 PHE A CA 1 ATOM 4287 C C . PHE A 1 536 ? -3.618 -12.577 -1.591 1.00 66.75 ? 536 PHE A C 1 ATOM 4288 O O . PHE A 1 536 ? -3.255 -13.724 -1.850 1.00 66.61 ? 536 PHE A O 1 ATOM 4289 C CB . PHE A 1 536 ? -2.413 -11.082 0.063 1.00 65.03 ? 536 PHE A CB 1 ATOM 4290 C CG . PHE A 1 536 ? -2.687 -10.050 1.145 1.00 64.06 ? 536 PHE A CG 1 ATOM 4291 C CD1 . PHE A 1 536 ? -1.810 -9.863 2.216 1.00 63.10 ? 536 PHE A CD1 1 ATOM 4292 C CD2 . PHE A 1 536 ? -3.838 -9.269 1.088 1.00 63.73 ? 536 PHE A CD2 1 ATOM 4293 C CE1 . PHE A 1 536 ? -2.088 -8.911 3.210 1.00 62.04 ? 536 PHE A CE1 1 ATOM 4294 C CE2 . PHE A 1 536 ? -4.116 -8.319 2.074 1.00 62.43 ? 536 PHE A CE2 1 ATOM 4295 C CZ . PHE A 1 536 ? -3.244 -8.141 3.132 1.00 61.85 ? 536 PHE A CZ 1 ATOM 4296 N N . THR A 1 537 ? -4.116 -11.715 -2.520 1.00 69.14 ? 537 THR A N 1 ATOM 4297 C CA . THR A 1 537 ? -4.225 -12.162 -3.891 1.00 70.84 ? 537 THR A CA 1 ATOM 4298 C C . THR A 1 537 ? -3.014 -11.707 -4.548 1.00 72.51 ? 537 THR A C 1 ATOM 4299 O O . THR A 1 537 ? -2.352 -10.793 -4.090 1.00 73.24 ? 537 THR A O 1 ATOM 4300 C CB . THR A 1 537 ? -5.506 -11.705 -4.596 1.00 69.86 ? 537 THR A CB 1 ATOM 4301 O OG1 . THR A 1 537 ? -5.318 -10.404 -5.175 1.00 69.19 ? 537 THR A OG1 1 ATOM 4302 C CG2 . THR A 1 537 ? -6.653 -11.661 -3.610 1.00 70.11 ? 537 THR A CG2 1 ATOM 4303 N N . GLU A 1 538 ? -2.647 -12.325 -5.604 1.00 74.15 ? 538 GLU A N 1 ATOM 4304 C CA . GLU A 1 538 ? -1.315 -11.923 -6.026 1.00 75.79 ? 538 GLU A CA 1 ATOM 4305 C C . GLU A 1 538 ? -1.132 -10.491 -6.501 1.00 75.88 ? 538 GLU A C 1 ATOM 4306 O O . GLU A 1 538 ? -0.048 -9.952 -6.304 1.00 75.80 ? 538 GLU A O 1 ATOM 4307 C CB . GLU A 1 538 ? -0.805 -12.944 -6.997 1.00 77.38 ? 538 GLU A CB 1 ATOM 4308 C CG . GLU A 1 538 ? -1.188 -12.693 -8.456 1.00 79.44 ? 538 GLU A CG 1 ATOM 4309 C CD . GLU A 1 538 ? 0.030 -12.761 -9.335 1.00 80.46 ? 538 GLU A CD 1 ATOM 4310 O OE1 . GLU A 1 538 ? 0.481 -11.711 -9.815 1.00 80.95 ? 538 GLU A OE1 1 ATOM 4311 O OE2 . GLU A 1 538 ? 0.542 -13.876 -9.548 1.00 80.79 ? 538 GLU A OE2 1 ATOM 4312 N N . LYS A 1 539 ? -2.098 -9.857 -7.083 1.00 76.18 ? 539 LYS A N 1 ATOM 4313 C CA . LYS A 1 539 ? -1.727 -8.528 -7.426 1.00 77.32 ? 539 LYS A CA 1 ATOM 4314 C C . LYS A 1 539 ? -1.731 -7.704 -6.159 1.00 77.26 ? 539 LYS A C 1 ATOM 4315 O O . LYS A 1 539 ? -0.934 -6.786 -5.977 1.00 76.62 ? 539 LYS A O 1 ATOM 4316 C CB . LYS A 1 539 ? -2.710 -7.909 -8.417 1.00 78.07 ? 539 LYS A CB 1 ATOM 4317 C CG . LYS A 1 539 ? -2.024 -7.177 -9.566 1.00 78.42 ? 539 LYS A CG 1 ATOM 4318 C CD . LYS A 1 539 ? -3.020 -6.773 -10.644 1.00 78.68 ? 539 LYS A CD 1 ATOM 4319 C CE . LYS A 1 539 ? -3.904 -5.645 -10.173 1.00 78.57 ? 539 LYS A CE 1 ATOM 4320 N NZ . LYS A 1 539 ? -5.226 -5.640 -10.855 1.00 78.19 ? 539 LYS A NZ 1 ATOM 4321 N N . GLN A 1 540 ? -2.649 -8.046 -5.287 1.00 77.37 ? 540 GLN A N 1 ATOM 4322 C CA . GLN A 1 540 ? -2.850 -7.316 -4.035 1.00 77.01 ? 540 GLN A CA 1 ATOM 4323 C C . GLN A 1 540 ? -1.493 -7.294 -3.349 1.00 77.62 ? 540 GLN A C 1 ATOM 4324 O O . GLN A 1 540 ? -1.149 -6.357 -2.619 1.00 77.62 ? 540 GLN A O 1 ATOM 4325 C CB . GLN A 1 540 ? -3.840 -8.057 -3.138 1.00 76.17 ? 540 GLN A CB 1 ATOM 4326 C CG . GLN A 1 540 ? -5.288 -7.631 -3.273 1.00 74.90 ? 540 GLN A CG 1 ATOM 4327 C CD . GLN A 1 540 ? -6.220 -8.561 -2.515 1.00 74.38 ? 540 GLN A CD 1 ATOM 4328 O OE1 . GLN A 1 540 ? -5.796 -9.276 -1.601 1.00 74.23 ? 540 GLN A OE1 1 ATOM 4329 N NE2 . GLN A 1 540 ? -7.496 -8.548 -2.881 1.00 73.58 ? 540 GLN A NE2 1 ATOM 4330 N N . ARG A 1 541 ? -0.726 -8.350 -3.606 1.00 78.35 ? 541 ARG A N 1 ATOM 4331 C CA . ARG A 1 541 ? 0.605 -8.504 -3.040 1.00 78.18 ? 541 ARG A CA 1 ATOM 4332 C C . ARG A 1 541 ? 1.647 -7.690 -3.803 1.00 77.14 ? 541 ARG A C 1 ATOM 4333 O O . ARG A 1 541 ? 2.571 -7.167 -3.195 1.00 76.87 ? 541 ARG A O 1 ATOM 4334 C CB . ARG A 1 541 ? 1.012 -9.990 -3.001 1.00 80.20 ? 541 ARG A CB 1 ATOM 4335 C CG . ARG A 1 541 ? 0.572 -10.763 -1.730 1.00 81.90 ? 541 ARG A CG 1 ATOM 4336 C CD . ARG A 1 541 ? 1.239 -12.149 -1.638 1.00 84.44 ? 541 ARG A CD 1 ATOM 4337 N NE . ARG A 1 541 ? 0.363 -13.245 -2.053 1.00 86.50 ? 541 ARG A NE 1 ATOM 4338 C CZ . ARG A 1 541 ? 0.761 -14.506 -2.227 1.00 86.00 ? 541 ARG A CZ 1 ATOM 4339 N NH1 . ARG A 1 541 ? 2.030 -14.842 -2.025 1.00 86.27 ? 541 ARG A NH1 1 ATOM 4340 N NH2 . ARG A 1 541 ? -0.112 -15.437 -2.599 1.00 86.64 ? 541 ARG A NH2 1 ATOM 4341 N N . ASP A 1 542 ? 1.513 -7.567 -5.121 1.00 76.12 ? 542 ASP A N 1 ATOM 4342 C CA . ASP A 1 542 ? 2.491 -6.779 -5.861 1.00 74.97 ? 542 ASP A CA 1 ATOM 4343 C C . ASP A 1 542 ? 2.236 -5.309 -5.547 1.00 73.81 ? 542 ASP A C 1 ATOM 4344 O O . ASP A 1 542 ? 3.136 -4.465 -5.662 1.00 74.10 ? 542 ASP A O 1 ATOM 4345 C CB . ASP A 1 542 ? 2.380 -7.035 -7.363 1.00 75.81 ? 542 ASP A CB 1 ATOM 4346 C CG . ASP A 1 542 ? 2.375 -8.524 -7.714 1.00 76.45 ? 542 ASP A CG 1 ATOM 4347 O OD1 . ASP A 1 542 ? 3.218 -9.282 -7.192 1.00 77.33 ? 542 ASP A OD1 1 ATOM 4348 O OD2 . ASP A 1 542 ? 1.519 -8.917 -8.530 1.00 76.07 ? 542 ASP A OD2 1 ATOM 4349 N N . SER A 1 543 ? 1.006 -5.005 -5.138 1.00 71.83 ? 543 SER A N 1 ATOM 4350 C CA . SER A 1 543 ? 0.675 -3.634 -4.779 1.00 70.22 ? 543 SER A CA 1 ATOM 4351 C C . SER A 1 543 ? 1.460 -3.305 -3.515 1.00 69.16 ? 543 SER A C 1 ATOM 4352 O O . SER A 1 543 ? 2.245 -2.356 -3.491 1.00 69.02 ? 543 SER A O 1 ATOM 4353 C CB . SER A 1 543 ? -0.829 -3.465 -4.508 1.00 69.80 ? 543 SER A CB 1 ATOM 4354 O OG . SER A 1 543 ? -1.583 -3.360 -5.710 1.00 68.39 ? 543 SER A OG 1 ATOM 4355 N N . LEU A 1 544 ? 1.274 -4.133 -2.490 1.00 67.78 ? 544 LEU A N 1 ATOM 4356 C CA . LEU A 1 544 ? 1.921 -3.964 -1.193 1.00 66.97 ? 544 LEU A CA 1 ATOM 4357 C C . LEU A 1 544 ? 3.425 -3.640 -1.105 1.00 67.18 ? 544 LEU A C 1 ATOM 4358 O O . LEU A 1 544 ? 3.768 -2.576 -0.585 1.00 67.06 ? 544 LEU A O 1 ATOM 4359 C CB . LEU A 1 544 ? 1.633 -5.180 -0.317 1.00 66.09 ? 544 LEU A CB 1 ATOM 4360 C CG . LEU A 1 544 ? 0.184 -5.494 0.099 1.00 64.98 ? 544 LEU A CG 1 ATOM 4361 C CD1 . LEU A 1 544 ? 0.170 -6.793 0.885 1.00 64.00 ? 544 LEU A CD1 1 ATOM 4362 C CD2 . LEU A 1 544 ? -0.393 -4.360 0.927 1.00 64.72 ? 544 LEU A CD2 1 ATOM 4363 N N . GLN A 1 545 ? 4.403 -4.504 -1.591 1.00 67.12 ? 545 GLN A N 1 ATOM 4364 C CA . GLN A 1 545 ? 5.807 -4.074 -1.329 1.00 67.31 ? 545 GLN A CA 1 ATOM 4365 C C . GLN A 1 545 ? 6.171 -2.837 -2.108 1.00 66.53 ? 545 GLN A C 1 ATOM 4366 O O . GLN A 1 545 ? 7.349 -2.635 -2.438 1.00 67.85 ? 545 GLN A O 1 ATOM 4367 C CB . GLN A 1 545 ? 6.999 -5.065 -1.603 1.00 66.99 ? 545 GLN A CB 1 ATOM 4368 C CG . GLN A 1 545 ? 6.738 -6.540 -1.827 1.00 67.31 ? 545 GLN A CG 1 ATOM 4369 C CD . GLN A 1 545 ? 5.980 -6.711 -3.101 1.00 67.83 ? 545 GLN A CD 1 ATOM 4370 O OE1 . GLN A 1 545 ? 6.060 -7.757 -3.764 1.00 67.48 ? 545 GLN A OE1 1 ATOM 4371 N NE2 . GLN A 1 545 ? 5.159 -5.818 -3.656 1.00 67.74 ? 545 GLN A NE2 1 ATOM 4372 N N . LYS A 1 546 ? 5.196 -2.021 -2.402 1.00 65.21 ? 546 LYS A N 1 ATOM 4373 C CA . LYS A 1 546 ? 5.512 -0.758 -3.062 1.00 63.45 ? 546 LYS A CA 1 ATOM 4374 C C . LYS A 1 546 ? 5.200 0.325 -2.056 1.00 61.71 ? 546 LYS A C 1 ATOM 4375 O O . LYS A 1 546 ? 5.447 1.515 -2.221 1.00 62.64 ? 546 LYS A O 1 ATOM 4376 C CB . LYS A 1 546 ? 4.667 -0.549 -4.291 1.00 63.30 ? 546 LYS A CB 1 ATOM 4377 C CG . LYS A 1 546 ? 5.359 -0.871 -5.608 1.00 63.06 ? 546 LYS A CG 1 ATOM 4378 C CD . LYS A 1 546 ? 6.759 -1.443 -5.408 1.00 63.36 ? 546 LYS A CD 1 ATOM 4379 C CE . LYS A 1 546 ? 7.252 -2.209 -6.642 1.00 64.34 ? 546 LYS A CE 1 ATOM 4380 N NZ . LYS A 1 546 ? 8.262 -3.245 -6.284 1.00 64.19 ? 546 LYS A NZ 1 ATOM 4381 N N . VAL A 1 547 ? 4.630 -0.163 -0.983 1.00 58.38 ? 547 VAL A N 1 ATOM 4382 C CA . VAL A 1 547 ? 4.300 0.698 0.121 1.00 55.36 ? 547 VAL A CA 1 ATOM 4383 C C . VAL A 1 547 ? 5.630 1.205 0.740 1.00 54.10 ? 547 VAL A C 1 ATOM 4384 O O . VAL A 1 547 ? 6.644 0.544 0.583 1.00 52.33 ? 547 VAL A O 1 ATOM 4385 C CB . VAL A 1 547 ? 3.467 -0.060 1.177 1.00 55.48 ? 547 VAL A CB 1 ATOM 4386 C CG1 . VAL A 1 547 ? 2.245 -0.704 0.552 1.00 54.82 ? 547 VAL A CG1 1 ATOM 4387 C CG2 . VAL A 1 547 ? 4.321 -1.111 1.866 1.00 54.86 ? 547 VAL A CG2 1 ATOM 4388 N N . SER A 1 548 ? 5.640 2.359 1.437 1.00 52.63 ? 548 SER A N 1 ATOM 4389 C CA . SER A 1 548 ? 6.848 2.915 2.094 1.00 51.15 ? 548 SER A CA 1 ATOM 4390 C C . SER A 1 548 ? 6.440 3.924 3.156 1.00 50.59 ? 548 SER A C 1 ATOM 4391 O O . SER A 1 548 ? 5.368 4.527 3.064 1.00 49.49 ? 548 SER A O 1 ATOM 4392 C CB . SER A 1 548 ? 7.786 3.586 1.090 1.00 50.48 ? 548 SER A CB 1 ATOM 4393 O OG . SER A 1 548 ? 7.333 4.879 0.752 1.00 49.88 ? 548 SER A OG 1 ATOM 4394 N N . PHE A 1 549 ? 7.286 4.099 4.167 1.00 50.59 ? 549 PHE A N 1 ATOM 4395 C CA . PHE A 1 549 ? 6.992 5.047 5.232 1.00 50.98 ? 549 PHE A CA 1 ATOM 4396 C C . PHE A 1 549 ? 7.100 6.461 4.677 1.00 52.20 ? 549 PHE A C 1 ATOM 4397 O O . PHE A 1 549 ? 6.641 7.415 5.299 1.00 52.00 ? 549 PHE A O 1 ATOM 4398 C CB . PHE A 1 549 ? 7.958 4.865 6.410 1.00 50.52 ? 549 PHE A CB 1 ATOM 4399 C CG . PHE A 1 549 ? 7.441 5.430 7.717 1.00 49.30 ? 549 PHE A CG 1 ATOM 4400 C CD1 . PHE A 1 549 ? 7.036 4.586 8.745 1.00 49.48 ? 549 PHE A CD1 1 ATOM 4401 C CD2 . PHE A 1 549 ? 7.350 6.806 7.917 1.00 49.13 ? 549 PHE A CD2 1 ATOM 4402 C CE1 . PHE A 1 549 ? 6.547 5.102 9.943 1.00 47.52 ? 549 PHE A CE1 1 ATOM 4403 C CE2 . PHE A 1 549 ? 6.861 7.329 9.120 1.00 48.47 ? 549 PHE A CE2 1 ATOM 4404 C CZ . PHE A 1 549 ? 6.461 6.474 10.135 1.00 48.19 ? 549 PHE A CZ 1 ATOM 4405 N N . SER A 1 550 ? 7.719 6.610 3.511 1.00 54.36 ? 550 SER A N 1 ATOM 4406 C CA . SER A 1 550 ? 7.814 7.931 2.903 1.00 56.09 ? 550 SER A CA 1 ATOM 4407 C C . SER A 1 550 ? 6.436 8.245 2.321 1.00 57.09 ? 550 SER A C 1 ATOM 4408 O O . SER A 1 550 ? 5.898 9.341 2.493 1.00 56.77 ? 550 SER A O 1 ATOM 4409 C CB . SER A 1 550 ? 8.863 7.917 1.808 1.00 55.59 ? 550 SER A CB 1 ATOM 4410 O OG . SER A 1 550 ? 10.139 7.762 2.391 1.00 56.50 ? 550 SER A OG 1 ATOM 4411 N N . ARG A 1 551 ? 5.880 7.242 1.616 1.00 57.98 ? 551 ARG A N 1 ATOM 4412 C CA . ARG A 1 551 ? 4.567 7.386 1.038 1.00 58.59 ? 551 ARG A CA 1 ATOM 4413 C C . ARG A 1 551 ? 3.517 7.525 2.158 1.00 57.72 ? 551 ARG A C 1 ATOM 4414 O O . ARG A 1 551 ? 2.563 8.306 2.029 1.00 57.72 ? 551 ARG A O 1 ATOM 4415 C CB . ARG A 1 551 ? 4.187 6.216 0.166 1.00 61.04 ? 551 ARG A CB 1 ATOM 4416 C CG . ARG A 1 551 ? 2.758 6.367 -0.372 1.00 64.27 ? 551 ARG A CG 1 ATOM 4417 C CD . ARG A 1 551 ? 2.780 6.997 -1.758 1.00 66.79 ? 551 ARG A CD 1 ATOM 4418 N NE . ARG A 1 551 ? 1.579 7.785 -2.116 1.00 69.40 ? 551 ARG A NE 1 ATOM 4419 C CZ . ARG A 1 551 ? 1.607 8.847 -2.909 1.00 69.31 ? 551 ARG A CZ 1 ATOM 4420 N NH1 . ARG A 1 551 ? 2.759 9.262 -3.422 1.00 69.92 ? 551 ARG A NH1 1 ATOM 4421 N NH2 . ARG A 1 551 ? 0.489 9.490 -3.179 1.00 70.00 ? 551 ARG A NH2 1 ATOM 4422 N N . LEU A 1 552 ? 3.677 6.776 3.260 1.00 55.24 ? 552 LEU A N 1 ATOM 4423 C CA . LEU A 1 552 ? 2.745 6.929 4.372 1.00 52.83 ? 552 LEU A CA 1 ATOM 4424 C C . LEU A 1 552 ? 2.696 8.396 4.750 1.00 51.75 ? 552 LEU A C 1 ATOM 4425 O O . LEU A 1 552 ? 1.616 8.940 4.990 1.00 49.44 ? 552 LEU A O 1 ATOM 4426 C CB . LEU A 1 552 ? 3.176 6.120 5.606 1.00 53.10 ? 552 LEU A CB 1 ATOM 4427 C CG . LEU A 1 552 ? 2.306 6.347 6.874 1.00 53.25 ? 552 LEU A CG 1 ATOM 4428 C CD1 . LEU A 1 552 ? 1.235 5.283 7.009 1.00 51.64 ? 552 LEU A CD1 1 ATOM 4429 C CD2 . LEU A 1 552 ? 3.196 6.346 8.101 1.00 52.71 ? 552 LEU A CD2 1 ATOM 4430 N N . ILE A 1 553 ? 3.858 9.046 4.788 1.00 51.97 ? 553 ILE A N 1 ATOM 4431 C CA . ILE A 1 553 ? 3.891 10.459 5.144 1.00 52.97 ? 553 ILE A CA 1 ATOM 4432 C C . ILE A 1 553 ? 3.099 11.374 4.178 1.00 54.40 ? 553 ILE A C 1 ATOM 4433 O O . ILE A 1 553 ? 2.410 12.288 4.631 1.00 54.57 ? 553 ILE A O 1 ATOM 4434 C CB . ILE A 1 553 ? 5.366 10.983 5.316 1.00 51.71 ? 553 ILE A CB 1 ATOM 4435 C CG1 . ILE A 1 553 ? 6.002 10.346 6.559 1.00 52.15 ? 553 ILE A CG1 1 ATOM 4436 C CG2 . ILE A 1 553 ? 5.376 12.494 5.484 1.00 50.17 ? 553 ILE A CG2 1 ATOM 4437 C CD1 . ILE A 1 553 ? 7.393 10.909 6.940 1.00 51.99 ? 553 ILE A CD1 1 ATOM 4438 N N . CYS A 1 554 ? 3.152 11.117 2.871 1.00 55.46 ? 554 CYS A N 1 ATOM 4439 C CA . CYS A 1 554 ? 2.427 11.954 1.903 1.00 56.87 ? 554 CYS A CA 1 ATOM 4440 C C . CYS A 1 554 ? 0.890 11.848 1.919 1.00 57.16 ? 554 CYS A C 1 ATOM 4441 O O . CYS A 1 554 ? 0.174 12.862 1.940 1.00 59.01 ? 554 CYS A O 1 ATOM 4442 C CB . CYS A 1 554 ? 2.899 11.643 0.483 1.00 57.94 ? 554 CYS A CB 1 ATOM 4443 S SG . CYS A 1 554 ? 4.692 11.793 0.189 1.00 60.59 ? 554 CYS A SG 1 ATOM 4444 N N . ASP A 1 555 ? 0.381 10.623 1.864 1.00 55.87 ? 555 ASP A N 1 ATOM 4445 C CA . ASP A 1 555 ? -1.062 10.415 1.843 1.00 53.90 ? 555 ASP A CA 1 ATOM 4446 C C . ASP A 1 555 ? -1.660 10.982 3.104 1.00 52.73 ? 555 ASP A C 1 ATOM 4447 O O . ASP A 1 555 ? -2.849 11.296 3.151 1.00 53.43 ? 555 ASP A O 1 ATOM 4448 C CB . ASP A 1 555 ? -1.425 8.934 1.838 1.00 54.26 ? 555 ASP A CB 1 ATOM 4449 C CG . ASP A 1 555 ? -0.734 8.149 0.752 1.00 54.96 ? 555 ASP A CG 1 ATOM 4450 O OD1 . ASP A 1 555 ? 0.247 8.645 0.168 1.00 54.68 ? 555 ASP A OD1 1 ATOM 4451 O OD2 . ASP A 1 555 ? -1.188 7.017 0.512 1.00 55.89 ? 555 ASP A OD2 1 ATOM 4452 N N . ASN A 1 556 ? -0.849 11.171 4.136 1.00 50.54 ? 556 ASN A N 1 ATOM 4453 C CA . ASN A 1 556 ? -1.502 11.579 5.380 1.00 50.17 ? 556 ASN A CA 1 ATOM 4454 C C . ASN A 1 556 ? -0.998 12.834 6.119 1.00 50.76 ? 556 ASN A C 1 ATOM 4455 O O . ASN A 1 556 ? -1.141 12.915 7.336 1.00 49.70 ? 556 ASN A O 1 ATOM 4456 C CB . ASN A 1 556 ? -1.455 10.362 6.314 1.00 48.14 ? 556 ASN A CB 1 ATOM 4457 C CG . ASN A 1 556 ? -2.370 9.279 5.801 1.00 46.18 ? 556 ASN A CG 1 ATOM 4458 O OD1 . ASN A 1 556 ? -3.575 9.492 5.666 1.00 42.01 ? 556 ASN A OD1 1 ATOM 4459 N ND2 . ASN A 1 556 ? -1.807 8.127 5.508 1.00 45.52 ? 556 ASN A ND2 1 ATOM 4460 N N . THR A 1 557 ? -0.396 13.780 5.416 1.00 52.53 ? 557 THR A N 1 ATOM 4461 C CA . THR A 1 557 ? 0.061 14.982 6.084 1.00 54.70 ? 557 THR A CA 1 ATOM 4462 C C . THR A 1 557 ? 0.273 15.993 5.000 1.00 55.65 ? 557 THR A C 1 ATOM 4463 O O . THR A 1 557 ? 0.254 15.639 3.832 1.00 56.25 ? 557 THR A O 1 ATOM 4464 C CB . THR A 1 557 ? 1.386 14.767 6.834 1.00 55.02 ? 557 THR A CB 1 ATOM 4465 O OG1 . THR A 1 557 ? 2.434 14.425 5.902 1.00 54.16 ? 557 THR A OG1 1 ATOM 4466 C CG2 . THR A 1 557 ? 1.220 13.653 7.848 1.00 54.98 ? 557 THR A CG2 1 ATOM 4467 N N . HIS A 1 558 ? 0.486 17.281 5.323 1.00 57.15 ? 558 HIS A N 1 ATOM 4468 C CA . HIS A 1 558 ? 0.695 18.169 4.148 1.00 59.22 ? 558 HIS A CA 1 ATOM 4469 C C . HIS A 1 558 ? 2.183 18.424 3.869 1.00 59.99 ? 558 HIS A C 1 ATOM 4470 O O . HIS A 1 558 ? 2.594 19.516 3.445 1.00 60.60 ? 558 HIS A O 1 ATOM 4471 C CB . HIS A 1 558 ? -0.023 19.485 4.285 1.00 59.37 ? 558 HIS A CB 1 ATOM 4472 C CG . HIS A 1 558 ? -1.545 19.340 4.214 1.00 59.93 ? 558 HIS A CG 1 ATOM 4473 N ND1 . HIS A 1 558 ? -2.337 19.754 5.265 1.00 59.99 ? 558 HIS A ND1 1 ATOM 4474 C CD2 . HIS A 1 558 ? -2.390 18.843 3.280 1.00 60.06 ? 558 HIS A CD2 1 ATOM 4475 C CE1 . HIS A 1 558 ? -3.605 19.522 4.946 1.00 60.46 ? 558 HIS A CE1 1 ATOM 4476 N NE2 . HIS A 1 558 ? -3.664 18.969 3.747 1.00 61.14 ? 558 HIS A NE2 1 ATOM 4477 N N . ILE A 1 559 ? 2.946 17.388 4.115 1.00 60.81 ? 559 ILE A N 1 ATOM 4478 C CA . ILE A 1 559 ? 4.365 17.380 3.963 1.00 60.77 ? 559 ILE A CA 1 ATOM 4479 C C . ILE A 1 559 ? 4.507 16.918 2.528 1.00 60.75 ? 559 ILE A C 1 ATOM 4480 O O . ILE A 1 559 ? 4.174 15.767 2.242 1.00 60.29 ? 559 ILE A O 1 ATOM 4481 C CB . ILE A 1 559 ? 5.101 16.308 4.818 1.00 61.62 ? 559 ILE A CB 1 ATOM 4482 C CG1 . ILE A 1 559 ? 4.554 16.285 6.231 1.00 61.96 ? 559 ILE A CG1 1 ATOM 4483 C CG2 . ILE A 1 559 ? 6.606 16.585 4.816 1.00 62.34 ? 559 ILE A CG2 1 ATOM 4484 C CD1 . ILE A 1 559 ? 5.526 16.824 7.261 1.00 62.52 ? 559 ILE A CD1 1 ATOM 4485 N N . THR A 1 560 ? 4.967 17.756 1.613 1.00 60.91 ? 560 THR A N 1 ATOM 4486 C CA . THR A 1 560 ? 5.052 17.259 0.262 1.00 60.84 ? 560 THR A CA 1 ATOM 4487 C C . THR A 1 560 ? 6.481 17.019 -0.211 1.00 61.47 ? 560 THR A C 1 ATOM 4488 O O . THR A 1 560 ? 6.728 16.863 -1.404 1.00 61.66 ? 560 THR A O 1 ATOM 4489 C CB . THR A 1 560 ? 4.255 18.183 -0.712 1.00 60.74 ? 560 THR A CB 1 ATOM 4490 O OG1 . THR A 1 560 ? 5.067 19.290 -1.134 1.00 60.82 ? 560 THR A OG1 1 ATOM 4491 C CG2 . THR A 1 560 ? 2.966 18.718 -0.013 1.00 60.31 ? 560 THR A CG2 1 ATOM 4492 N N . LYS A 1 561 ? 7.413 16.937 0.735 1.00 62.16 ? 561 LYS A N 1 ATOM 4493 C CA . LYS A 1 561 ? 8.819 16.691 0.409 1.00 63.21 ? 561 LYS A CA 1 ATOM 4494 C C . LYS A 1 561 ? 9.447 15.601 1.307 1.00 62.57 ? 561 LYS A C 1 ATOM 4495 O O . LYS A 1 561 ? 9.860 15.872 2.436 1.00 62.80 ? 561 LYS A O 1 ATOM 4496 C CB . LYS A 1 561 ? 9.605 18.003 0.520 1.00 64.82 ? 561 LYS A CB 1 ATOM 4497 C CG . LYS A 1 561 ? 9.182 19.081 -0.496 1.00 65.75 ? 561 LYS A CG 1 ATOM 4498 C CD . LYS A 1 561 ? 9.020 18.489 -1.891 1.00 67.03 ? 561 LYS A CD 1 ATOM 4499 C CE . LYS A 1 561 ? 9.565 19.416 -2.975 1.00 67.08 ? 561 LYS A CE 1 ATOM 4500 N NZ . LYS A 1 561 ? 9.280 18.888 -4.340 1.00 65.85 ? 561 LYS A NZ 1 ATOM 4501 N N . VAL A 1 562 ? 9.539 14.383 0.766 1.00 61.68 ? 562 VAL A N 1 ATOM 4502 C CA . VAL A 1 562 ? 10.053 13.210 1.483 1.00 59.17 ? 562 VAL A CA 1 ATOM 4503 C C . VAL A 1 562 ? 11.329 12.497 1.008 1.00 58.82 ? 562 VAL A C 1 ATOM 4504 O O . VAL A 1 562 ? 11.689 12.564 -0.164 1.00 59.49 ? 562 VAL A O 1 ATOM 4505 C CB . VAL A 1 562 ? 8.960 12.130 1.546 1.00 58.87 ? 562 VAL A CB 1 ATOM 4506 C CG1 . VAL A 1 562 ? 7.863 12.579 2.460 1.00 56.24 ? 562 VAL A CG1 1 ATOM 4507 C CG2 . VAL A 1 562 ? 8.432 11.852 0.138 1.00 56.63 ? 562 VAL A CG2 1 ATOM 4508 N N . PRO A 1 563 ? 12.013 11.785 1.929 1.00 58.86 ? 563 PRO A N 1 ATOM 4509 C CA . PRO A 1 563 ? 13.242 11.029 1.677 1.00 59.55 ? 563 PRO A CA 1 ATOM 4510 C C . PRO A 1 563 ? 12.899 9.619 1.207 1.00 60.08 ? 563 PRO A C 1 ATOM 4511 O O . PRO A 1 563 ? 11.963 9.004 1.716 1.00 60.98 ? 563 PRO A O 1 ATOM 4512 C CB . PRO A 1 563 ? 13.949 11.053 3.030 1.00 59.73 ? 563 PRO A CB 1 ATOM 4513 C CG . PRO A 1 563 ? 12.848 11.256 4.051 1.00 59.74 ? 563 PRO A CG 1 ATOM 4514 C CD . PRO A 1 563 ? 11.586 11.640 3.332 1.00 59.44 ? 563 PRO A CD 1 ATOM 4515 N N . LEU A 1 564 ? 13.646 9.089 0.250 1.00 59.53 ? 564 LEU A N 1 ATOM 4516 C CA . LEU A 1 564 ? 13.308 7.763 -0.232 1.00 59.60 ? 564 LEU A CA 1 ATOM 4517 C C . LEU A 1 564 ? 13.392 6.737 0.879 1.00 59.90 ? 564 LEU A C 1 ATOM 4518 O O . LEU A 1 564 ? 12.551 5.838 0.989 1.00 60.10 ? 564 LEU A O 1 ATOM 4519 C CB . LEU A 1 564 ? 14.194 7.383 -1.424 1.00 59.61 ? 564 LEU A CB 1 ATOM 4520 C CG . LEU A 1 564 ? 13.336 7.348 -2.699 1.00 58.40 ? 564 LEU A CG 1 ATOM 4521 C CD1 . LEU A 1 564 ? 12.046 8.134 -2.490 1.00 57.88 ? 564 LEU A CD1 1 ATOM 4522 C CD2 . LEU A 1 564 ? 14.125 7.905 -3.862 1.00 58.96 ? 564 LEU A CD2 1 ATOM 4523 N N . HIS A 1 565 ? 14.394 6.903 1.728 1.00 59.11 ? 565 HIS A N 1 ATOM 4524 C CA . HIS A 1 565 ? 14.603 5.998 2.842 1.00 58.76 ? 565 HIS A CA 1 ATOM 4525 C C . HIS A 1 565 ? 14.414 6.751 4.162 1.00 58.48 ? 565 HIS A C 1 ATOM 4526 O O . HIS A 1 565 ? 15.305 7.471 4.620 1.00 59.04 ? 565 HIS A O 1 ATOM 4527 C CB . HIS A 1 565 ? 15.997 5.410 2.702 1.00 59.76 ? 565 HIS A CB 1 ATOM 4528 C CG . HIS A 1 565 ? 16.310 4.996 1.296 1.00 61.55 ? 565 HIS A CG 1 ATOM 4529 N ND1 . HIS A 1 565 ? 15.364 4.429 0.465 1.00 61.97 ? 565 HIS A ND1 1 ATOM 4530 C CD2 . HIS A 1 565 ? 17.448 5.076 0.568 1.00 60.97 ? 565 HIS A CD2 1 ATOM 4531 C CE1 . HIS A 1 565 ? 15.907 4.181 -0.713 1.00 60.79 ? 565 HIS A CE1 1 ATOM 4532 N NE2 . HIS A 1 565 ? 17.170 4.564 -0.677 1.00 60.72 ? 565 HIS A NE2 1 ATOM 4533 N N . ALA A 1 566 ? 13.239 6.570 4.762 1.00 57.50 ? 566 ALA A N 1 ATOM 4534 C CA . ALA A 1 566 ? 12.851 7.233 6.009 1.00 56.35 ? 566 ALA A CA 1 ATOM 4535 C C . ALA A 1 566 ? 13.702 6.952 7.240 1.00 56.13 ? 566 ALA A C 1 ATOM 4536 O O . ALA A 1 566 ? 13.839 7.812 8.108 1.00 57.83 ? 566 ALA A O 1 ATOM 4537 C CB . ALA A 1 566 ? 11.388 6.910 6.327 1.00 56.36 ? 566 ALA A CB 1 ATOM 4538 N N . PHE A 1 567 ? 14.281 5.766 7.339 1.00 53.72 ? 567 PHE A N 1 ATOM 4539 C CA . PHE A 1 567 ? 15.074 5.452 8.520 1.00 53.50 ? 567 PHE A CA 1 ATOM 4540 C C . PHE A 1 567 ? 16.547 5.839 8.434 1.00 54.21 ? 567 PHE A C 1 ATOM 4541 O O . PHE A 1 567 ? 17.211 6.022 9.459 1.00 53.99 ? 567 PHE A O 1 ATOM 4542 C CB . PHE A 1 567 ? 14.934 3.963 8.849 1.00 51.98 ? 567 PHE A CB 1 ATOM 4543 C CG . PHE A 1 567 ? 13.517 3.546 9.133 1.00 51.31 ? 567 PHE A CG 1 ATOM 4544 C CD1 . PHE A 1 567 ? 12.704 4.315 9.969 1.00 51.35 ? 567 PHE A CD1 1 ATOM 4545 C CD2 . PHE A 1 567 ? 12.996 2.373 8.599 1.00 50.73 ? 567 PHE A CD2 1 ATOM 4546 C CE1 . PHE A 1 567 ? 11.395 3.922 10.269 1.00 48.52 ? 567 PHE A CE1 1 ATOM 4547 C CE2 . PHE A 1 567 ? 11.686 1.968 8.894 1.00 49.31 ? 567 PHE A CE2 1 ATOM 4548 C CZ . PHE A 1 567 ? 10.886 2.748 9.734 1.00 48.62 ? 567 PHE A CZ 1 ATOM 4549 N N . GLN A 1 568 ? 17.070 5.978 7.222 1.00 55.65 ? 568 GLN A N 1 ATOM 4550 C CA . GLN A 1 568 ? 18.477 6.323 7.084 1.00 58.14 ? 568 GLN A CA 1 ATOM 4551 C C . GLN A 1 568 ? 18.640 7.836 7.447 1.00 59.18 ? 568 GLN A C 1 ATOM 4552 O O . GLN A 1 568 ? 17.643 8.545 7.553 1.00 58.28 ? 568 GLN A O 1 ATOM 4553 C CB . GLN A 1 568 ? 18.976 5.983 5.658 1.00 58.39 ? 568 GLN A CB 1 ATOM 4554 C CG . GLN A 1 568 ? 18.226 4.874 4.767 1.00 59.54 ? 568 GLN A CG 1 ATOM 4555 C CD . GLN A 1 568 ? 17.722 3.553 5.426 1.00 60.48 ? 568 GLN A CD 1 ATOM 4556 O OE1 . GLN A 1 568 ? 16.503 3.277 5.411 1.00 58.56 ? 568 GLN A OE1 1 ATOM 4557 N NE2 . GLN A 1 568 ? 18.643 2.724 5.949 1.00 58.52 ? 568 GLN A NE2 1 ATOM 4558 N N . ALA A 1 569 ? 19.862 8.316 7.701 1.00 60.36 ? 569 ALA A N 1 ATOM 4559 C CA . ALA A 1 569 ? 20.071 9.734 8.072 1.00 61.18 ? 569 ALA A CA 1 ATOM 4560 C C . ALA A 1 569 ? 19.799 10.662 6.892 1.00 62.24 ? 569 ALA A C 1 ATOM 4561 O O . ALA A 1 569 ? 20.504 10.620 5.885 1.00 63.17 ? 569 ALA A O 1 ATOM 4562 C CB . ALA A 1 569 ? 21.501 9.959 8.594 1.00 61.46 ? 569 ALA A CB 1 ATOM 4563 N N . ASN A 1 570 ? 18.807 11.537 7.022 1.00 62.85 ? 570 ASN A N 1 ATOM 4564 C CA . ASN A 1 570 ? 18.461 12.405 5.901 1.00 61.88 ? 570 ASN A CA 1 ATOM 4565 C C . ASN A 1 570 ? 18.379 13.908 6.140 1.00 61.59 ? 570 ASN A C 1 ATOM 4566 O O . ASN A 1 570 ? 17.625 14.391 6.981 1.00 61.23 ? 570 ASN A O 1 ATOM 4567 C CB . ASN A 1 570 ? 17.160 11.895 5.294 1.00 62.26 ? 570 ASN A CB 1 ATOM 4568 C CG . ASN A 1 570 ? 17.210 10.416 5.003 1.00 64.06 ? 570 ASN A CG 1 ATOM 4569 O OD1 . ASN A 1 570 ? 18.216 9.921 4.471 1.00 65.54 ? 570 ASN A OD1 1 ATOM 4570 N ND2 . ASN A 1 570 ? 16.129 9.701 5.336 1.00 64.62 ? 570 ASN A ND2 1 ATOM 4571 N N . ASN A 1 571 ? 19.190 14.636 5.378 1.00 61.77 ? 571 ASN A N 1 ATOM 4572 C CA . ASN A 1 571 ? 19.266 16.090 5.459 1.00 62.11 ? 571 ASN A CA 1 ATOM 4573 C C . ASN A 1 571 ? 18.502 16.762 4.307 1.00 63.26 ? 571 ASN A C 1 ATOM 4574 O O . ASN A 1 571 ? 18.509 16.244 3.173 1.00 63.90 ? 571 ASN A O 1 ATOM 4575 C CB . ASN A 1 571 ? 20.739 16.500 5.457 1.00 61.72 ? 571 ASN A CB 1 ATOM 4576 C CG . ASN A 1 571 ? 21.529 15.854 6.604 1.00 61.53 ? 571 ASN A CG 1 ATOM 4577 O OD1 . ASN A 1 571 ? 21.270 16.123 7.786 1.00 60.87 ? 571 ASN A OD1 1 ATOM 4578 N ND2 . ASN A 1 571 ? 22.498 15.002 6.256 1.00 59.36 ? 571 ASN A ND2 1 ATOM 4579 N N . TYR A 1 572 ? 17.839 17.880 4.669 1.00 64.13 ? 572 TYR A N 1 ATOM 4580 C CA . TYR A 1 572 ? 17.058 18.694 3.737 1.00 64.58 ? 572 TYR A CA 1 ATOM 4581 C C . TYR A 1 572 ? 17.885 19.804 3.111 1.00 64.56 ? 572 TYR A C 1 ATOM 4582 O O . TYR A 1 572 ? 18.760 20.462 3.685 1.00 64.46 ? 572 TYR A O 1 ATOM 4583 C CB . TYR A 1 572 ? 15.781 19.237 4.393 1.00 65.00 ? 572 TYR A CB 1 ATOM 4584 C CG . TYR A 1 572 ? 14.783 19.889 3.466 1.00 66.05 ? 572 TYR A CG 1 ATOM 4585 C CD1 . TYR A 1 572 ? 13.506 19.368 3.297 1.00 66.83 ? 572 TYR A CD1 1 ATOM 4586 C CD2 . TYR A 1 572 ? 15.117 21.064 2.786 1.00 66.86 ? 572 TYR A CD2 1 ATOM 4587 C CE1 . TYR A 1 572 ? 12.577 19.996 2.480 1.00 68.24 ? 572 TYR A CE1 1 ATOM 4588 C CE2 . TYR A 1 572 ? 14.203 21.695 1.956 1.00 67.24 ? 572 TYR A CE2 1 ATOM 4589 C CZ . TYR A 1 572 ? 12.930 21.156 1.808 1.00 68.70 ? 572 TYR A CZ 1 ATOM 4590 O OH . TYR A 1 572 ? 12.002 21.783 1.000 1.00 69.04 ? 572 TYR A OH 1 ATOM 4591 N N . PRO A 1 573 ? 17.502 19.927 1.837 1.00 64.09 ? 573 PRO A N 1 ATOM 4592 C CA . PRO A 1 573 ? 17.159 20.166 0.345 1.00 63.82 ? 573 PRO A CA 1 ATOM 4593 C C . PRO A 1 573 ? 17.223 18.814 -0.412 1.00 63.72 ? 573 PRO A C 1 ATOM 4594 O O . PRO A 1 573 ? 16.346 18.454 -1.206 1.00 63.91 ? 573 PRO A O 1 ATOM 4595 C CB . PRO A 1 573 ? 17.796 21.340 -0.379 1.00 64.45 ? 573 PRO A CB 1 ATOM 4596 C CG . PRO A 1 573 ? 17.764 22.273 0.727 1.00 64.04 ? 573 PRO A CG 1 ATOM 4597 C CD . PRO A 1 573 ? 18.031 21.351 1.839 1.00 64.54 ? 573 PRO A CD 1 ATOM 4598 N N . HIS A 1 574 ? 18.332 18.163 -0.090 1.00 63.18 ? 574 HIS A N 1 ATOM 4599 C CA . HIS A 1 574 ? 19.014 16.968 -0.705 1.00 62.35 ? 574 HIS A CA 1 ATOM 4600 C C . HIS A 1 574 ? 18.487 15.573 -0.750 1.00 61.52 ? 574 HIS A C 1 ATOM 4601 O O . HIS A 1 574 ? 18.213 15.035 -1.824 1.00 62.10 ? 574 HIS A O 1 ATOM 4602 C CB . HIS A 1 574 ? 20.385 16.952 -0.017 1.00 63.70 ? 574 HIS A CB 1 ATOM 4603 C CG . HIS A 1 574 ? 21.373 15.923 -0.575 1.00 65.35 ? 574 HIS A CG 1 ATOM 4604 N ND1 . HIS A 1 574 ? 22.732 15.994 -0.369 1.00 66.47 ? 574 HIS A ND1 1 ATOM 4605 C CD2 . HIS A 1 574 ? 21.164 14.814 -1.324 1.00 65.97 ? 574 HIS A CD2 1 ATOM 4606 C CE1 . HIS A 1 574 ? 23.318 14.954 -0.979 1.00 66.23 ? 574 HIS A CE1 1 ATOM 4607 N NE2 . HIS A 1 574 ? 22.379 14.229 -1.576 1.00 66.13 ? 574 HIS A NE2 1 ATOM 4608 N N . ASP A 1 575 ? 18.357 14.959 0.397 1.00 60.40 ? 575 ASP A N 1 ATOM 4609 C CA . ASP A 1 575 ? 17.845 13.615 0.321 1.00 57.98 ? 575 ASP A CA 1 ATOM 4610 C C . ASP A 1 575 ? 16.333 13.653 0.232 1.00 57.64 ? 575 ASP A C 1 ATOM 4611 O O . ASP A 1 575 ? 15.708 12.610 0.396 1.00 58.49 ? 575 ASP A O 1 ATOM 4612 C CB . ASP A 1 575 ? 18.284 12.797 1.538 1.00 56.42 ? 575 ASP A CB 1 ATOM 4613 C CG . ASP A 1 575 ? 19.780 12.835 1.666 1.00 56.56 ? 575 ASP A CG 1 ATOM 4614 O OD1 . ASP A 1 575 ? 20.482 12.561 0.670 1.00 56.88 ? 575 ASP A OD1 1 ATOM 4615 O OD2 . ASP A 1 575 ? 20.277 13.156 2.768 1.00 56.43 ? 575 ASP A OD2 1 ATOM 4616 N N . PHE A 1 576 ? 15.735 14.779 -0.008 1.00 56.40 ? 576 PHE A N 1 ATOM 4617 C CA . PHE A 1 576 ? 14.289 14.909 -0.098 1.00 55.53 ? 576 PHE A CA 1 ATOM 4618 C C . PHE A 1 576 ? 13.889 14.943 -1.573 1.00 56.47 ? 576 PHE A C 1 ATOM 4619 O O . PHE A 1 576 ? 14.706 15.220 -2.440 1.00 57.54 ? 576 PHE A O 1 ATOM 4620 C CB . PHE A 1 576 ? 13.861 16.156 0.710 1.00 53.44 ? 576 PHE A CB 1 ATOM 4621 C CG . PHE A 1 576 ? 13.866 15.841 2.199 1.00 51.42 ? 576 PHE A CG 1 ATOM 4622 C CD1 . PHE A 1 576 ? 14.989 15.236 2.770 1.00 52.33 ? 576 PHE A CD1 1 ATOM 4623 C CD2 . PHE A 1 576 ? 12.769 16.126 3.008 1.00 50.14 ? 576 PHE A CD2 1 ATOM 4624 C CE1 . PHE A 1 576 ? 15.015 14.910 4.132 1.00 50.92 ? 576 PHE A CE1 1 ATOM 4625 C CE2 . PHE A 1 576 ? 12.789 15.769 4.355 1.00 49.62 ? 576 PHE A CE2 1 ATOM 4626 C CZ . PHE A 1 576 ? 13.907 15.161 4.921 1.00 49.99 ? 576 PHE A CZ 1 ATOM 4627 N N . VAL A 1 577 ? 12.618 14.650 -1.855 1.00 57.10 ? 577 VAL A N 1 ATOM 4628 C CA . VAL A 1 577 ? 12.104 14.637 -3.226 1.00 58.18 ? 577 VAL A CA 1 ATOM 4629 C C . VAL A 1 577 ? 10.583 14.763 -3.125 1.00 59.61 ? 577 VAL A C 1 ATOM 4630 O O . VAL A 1 577 ? 10.004 14.304 -2.142 1.00 59.33 ? 577 VAL A O 1 ATOM 4631 C CB . VAL A 1 577 ? 12.423 13.296 -3.929 1.00 58.47 ? 577 VAL A CB 1 ATOM 4632 C CG1 . VAL A 1 577 ? 13.921 13.099 -4.060 1.00 58.62 ? 577 VAL A CG1 1 ATOM 4633 C CG2 . VAL A 1 577 ? 11.832 12.148 -3.112 1.00 58.88 ? 577 VAL A CG2 1 ATOM 4634 N N . ASP A 1 578 ? 9.910 15.359 -4.107 1.00 61.09 ? 578 ASP A N 1 ATOM 4635 C CA . ASP A 1 578 ? 8.467 15.442 -3.968 1.00 61.76 ? 578 ASP A CA 1 ATOM 4636 C C . ASP A 1 578 ? 7.812 14.077 -3.867 1.00 62.81 ? 578 ASP A C 1 ATOM 4637 O O . ASP A 1 578 ? 8.335 13.039 -4.307 1.00 63.17 ? 578 ASP A O 1 ATOM 4638 C CB . ASP A 1 578 ? 7.792 16.221 -5.103 1.00 61.11 ? 578 ASP A CB 1 ATOM 4639 C CG . ASP A 1 578 ? 6.284 16.386 -4.874 1.00 60.66 ? 578 ASP A CG 1 ATOM 4640 O OD1 . ASP A 1 578 ? 5.536 15.395 -4.958 1.00 62.27 ? 578 ASP A OD1 1 ATOM 4641 O OD2 . ASP A 1 578 ? 5.857 17.514 -4.580 1.00 59.09 ? 578 ASP A OD2 1 ATOM 4642 N N . CYS A 1 579 ? 6.628 14.128 -3.282 1.00 63.85 ? 579 CYS A N 1 ATOM 4643 C CA . CYS A 1 579 ? 5.778 12.990 -3.055 1.00 64.70 ? 579 CYS A CA 1 ATOM 4644 C C . CYS A 1 579 ? 5.292 12.288 -4.314 1.00 66.18 ? 579 CYS A C 1 ATOM 4645 O O . CYS A 1 579 ? 4.791 11.163 -4.238 1.00 65.77 ? 579 CYS A O 1 ATOM 4646 C CB . CYS A 1 579 ? 4.577 13.459 -2.262 1.00 63.91 ? 579 CYS A CB 1 ATOM 4647 S SG . CYS A 1 579 ? 4.901 13.696 -0.488 1.00 63.05 ? 579 CYS A SG 1 ATOM 4648 N N . SER A 1 580 ? 5.419 12.933 -5.471 1.00 67.05 ? 580 SER A N 1 ATOM 4649 C CA . SER A 1 580 ? 4.936 12.323 -6.706 1.00 67.67 ? 580 SER A CA 1 ATOM 4650 C C . SER A 1 580 ? 5.934 11.423 -7.421 1.00 68.43 ? 580 SER A C 1 ATOM 4651 O O . SER A 1 580 ? 5.582 10.686 -8.348 1.00 68.65 ? 580 SER A O 1 ATOM 4652 C CB . SER A 1 580 ? 4.427 13.404 -7.649 1.00 67.59 ? 580 SER A CB 1 ATOM 4653 O OG . SER A 1 580 ? 3.269 13.999 -7.091 1.00 67.58 ? 580 SER A OG 1 ATOM 4654 N N . THR A 1 581 ? 7.183 11.494 -6.983 1.00 69.18 ? 581 THR A N 1 ATOM 4655 C CA . THR A 1 581 ? 8.269 10.690 -7.528 1.00 69.91 ? 581 THR A CA 1 ATOM 4656 C C . THR A 1 581 ? 8.238 9.512 -6.566 1.00 71.21 ? 581 THR A C 1 ATOM 4657 O O . THR A 1 581 ? 9.244 8.828 -6.340 1.00 71.80 ? 581 THR A O 1 ATOM 4658 C CB . THR A 1 581 ? 9.583 11.440 -7.352 1.00 69.00 ? 581 THR A CB 1 ATOM 4659 O OG1 . THR A 1 581 ? 9.342 12.839 -7.563 1.00 69.01 ? 581 THR A OG1 1 ATOM 4660 C CG2 . THR A 1 581 ? 10.635 10.941 -8.354 1.00 69.46 ? 581 THR A CG2 1 ATOM 4661 N N . VAL A 1 582 ? 7.047 9.281 -5.983 1.00 72.45 ? 582 VAL A N 1 ATOM 4662 C CA . VAL A 1 582 ? 6.911 8.279 -4.947 1.00 73.13 ? 582 VAL A CA 1 ATOM 4663 C C . VAL A 1 582 ? 5.866 7.185 -5.222 1.00 73.56 ? 582 VAL A C 1 ATOM 4664 O O . VAL A 1 582 ? 4.814 7.453 -5.809 1.00 73.55 ? 582 VAL A O 1 ATOM 4665 C CB . VAL A 1 582 ? 6.711 9.071 -3.675 1.00 73.33 ? 582 VAL A CB 1 ATOM 4666 C CG1 . VAL A 1 582 ? 6.061 8.240 -2.582 1.00 73.14 ? 582 VAL A CG1 1 ATOM 4667 C CG2 . VAL A 1 582 ? 8.053 9.613 -3.185 1.00 72.99 ? 582 VAL A CG2 1 ATOM 4668 N N . ASP A 1 583 ? 6.171 5.918 -4.829 1.00 73.68 ? 583 ASP A N 1 ATOM 4669 C CA . ASP A 1 583 ? 5.327 4.717 -5.097 1.00 74.45 ? 583 ASP A CA 1 ATOM 4670 C C . ASP A 1 583 ? 3.997 4.776 -4.359 1.00 74.69 ? 583 ASP A C 1 ATOM 4671 O O . ASP A 1 583 ? 4.007 4.831 -3.142 1.00 75.25 ? 583 ASP A O 1 ATOM 4672 C CB . ASP A 1 583 ? 6.049 3.426 -4.661 1.00 74.20 ? 583 ASP A CB 1 ATOM 4673 C CG . ASP A 1 583 ? 7.347 3.141 -5.349 1.00 73.42 ? 583 ASP A CG 1 ATOM 4674 O OD1 . ASP A 1 583 ? 7.749 3.953 -6.213 1.00 73.23 ? 583 ASP A OD1 1 ATOM 4675 O OD2 . ASP A 1 583 ? 7.984 2.123 -5.019 1.00 73.41 ? 583 ASP A OD2 1 ATOM 4676 N N . LYS A 1 584 ? 2.860 4.755 -5.030 1.00 74.53 ? 584 LYS A N 1 ATOM 4677 C CA . LYS A 1 584 ? 1.661 4.787 -4.185 1.00 74.29 ? 584 LYS A CA 1 ATOM 4678 C C . LYS A 1 584 ? 1.116 3.402 -4.001 1.00 73.17 ? 584 LYS A C 1 ATOM 4679 O O . LYS A 1 584 ? 1.479 2.484 -4.733 1.00 73.11 ? 584 LYS A O 1 ATOM 4680 C CB . LYS A 1 584 ? 0.512 5.636 -4.770 1.00 75.79 ? 584 LYS A CB 1 ATOM 4681 C CG . LYS A 1 584 ? 0.835 6.917 -5.490 1.00 77.72 ? 584 LYS A CG 1 ATOM 4682 C CD . LYS A 1 584 ? -0.460 7.564 -5.948 1.00 78.06 ? 584 LYS A CD 1 ATOM 4683 C CE . LYS A 1 584 ? -0.182 8.845 -6.720 1.00 79.06 ? 584 LYS A CE 1 ATOM 4684 N NZ . LYS A 1 584 ? -1.397 9.685 -6.865 1.00 79.27 ? 584 LYS A NZ 1 ATOM 4685 N N . LEU A 1 585 ? 0.236 3.250 -3.020 1.00 71.81 ? 585 LEU A N 1 ATOM 4686 C CA . LEU A 1 585 ? -0.403 1.964 -2.816 1.00 71.07 ? 585 LEU A CA 1 ATOM 4687 C C . LEU A 1 585 ? -1.618 1.993 -3.730 1.00 70.49 ? 585 LEU A C 1 ATOM 4688 O O . LEU A 1 585 ? -2.610 2.626 -3.390 1.00 69.46 ? 585 LEU A O 1 ATOM 4689 C CB . LEU A 1 585 ? -0.884 1.789 -1.373 1.00 71.37 ? 585 LEU A CB 1 ATOM 4690 C CG . LEU A 1 585 ? -1.840 0.585 -1.258 1.00 71.40 ? 585 LEU A CG 1 ATOM 4691 C CD1 . LEU A 1 585 ? -1.066 -0.695 -1.507 1.00 70.95 ? 585 LEU A CD1 1 ATOM 4692 C CD2 . LEU A 1 585 ? -2.519 0.544 0.091 1.00 71.15 ? 585 LEU A CD2 1 ATOM 4693 N N . ASP A 1 586 ? -1.536 1.347 -4.891 1.00 69.99 ? 586 ASP A N 1 ATOM 4694 C CA . ASP A 1 586 ? -2.665 1.317 -5.810 1.00 70.34 ? 586 ASP A CA 1 ATOM 4695 C C . ASP A 1 586 ? -3.623 0.240 -5.353 1.00 70.56 ? 586 ASP A C 1 ATOM 4696 O O . ASP A 1 586 ? -3.249 -0.926 -5.255 1.00 70.88 ? 586 ASP A O 1 ATOM 4697 C CB . ASP A 1 586 ? -2.220 1.019 -7.244 1.00 69.73 ? 586 ASP A CB 1 ATOM 4698 C CG . ASP A 1 586 ? -3.398 0.646 -8.156 1.00 70.37 ? 586 ASP A CG 1 ATOM 4699 O OD1 . ASP A 1 586 ? -4.510 1.173 -7.937 1.00 70.03 ? 586 ASP A OD1 1 ATOM 4700 O OD2 . ASP A 1 586 ? -3.198 -0.163 -9.085 1.00 69.58 ? 586 ASP A OD2 1 ATOM 4701 N N . LEU A 1 587 ? -4.862 0.622 -5.078 1.00 70.78 ? 587 LEU A N 1 ATOM 4702 C CA . LEU A 1 587 ? -5.828 -0.354 -4.608 1.00 71.10 ? 587 LEU A CA 1 ATOM 4703 C C . LEU A 1 587 ? -6.798 -0.875 -5.655 1.00 71.25 ? 587 LEU A C 1 ATOM 4704 O O . LEU A 1 587 ? -7.927 -1.238 -5.316 1.00 70.96 ? 587 LEU A O 1 ATOM 4705 C CB . LEU A 1 587 ? -6.622 0.196 -3.418 1.00 70.91 ? 587 LEU A CB 1 ATOM 4706 C CG . LEU A 1 587 ? -5.832 0.691 -2.200 1.00 71.55 ? 587 LEU A CG 1 ATOM 4707 C CD1 . LEU A 1 587 ? -5.749 2.216 -2.260 1.00 71.57 ? 587 LEU A CD1 1 ATOM 4708 C CD2 . LEU A 1 587 ? -6.518 0.263 -0.909 1.00 69.77 ? 587 LEU A CD2 1 ATOM 4709 N N . SER A 1 588 ? -6.459 -0.909 -6.955 1.00 71.11 ? 588 SER A N 1 ATOM 4710 C CA . SER A 1 588 ? -7.405 -1.489 -7.921 1.00 70.33 ? 588 SER A CA 1 ATOM 4711 C C . SER A 1 588 ? -7.438 -3.061 -7.888 1.00 69.25 ? 588 SER A C 1 ATOM 4712 O O . SER A 1 588 ? -8.437 -3.662 -8.300 1.00 68.85 ? 588 SER A O 1 ATOM 4713 C CB . SER A 1 588 ? -7.073 -1.040 -9.333 1.00 70.38 ? 588 SER A CB 1 ATOM 4714 O OG . SER A 1 588 ? -5.662 -0.996 -9.539 1.00 72.78 ? 588 SER A OG 1 ATOM 4715 N N . PRO A 1 589 ? -6.349 -3.688 -7.410 1.00 68.74 ? 589 PRO A N 1 ATOM 4716 C CA . PRO A 1 589 ? -6.360 -5.130 -7.127 1.00 68.72 ? 589 PRO A CA 1 ATOM 4717 C C . PRO A 1 589 ? -7.230 -5.619 -5.956 1.00 68.68 ? 589 PRO A C 1 ATOM 4718 O O . PRO A 1 589 ? -7.309 -6.818 -5.683 1.00 68.27 ? 589 PRO A O 1 ATOM 4719 C CB . PRO A 1 589 ? -4.875 -5.456 -6.944 1.00 69.12 ? 589 PRO A CB 1 ATOM 4720 C CG . PRO A 1 589 ? -4.260 -4.125 -6.565 1.00 68.29 ? 589 PRO A CG 1 ATOM 4721 C CD . PRO A 1 589 ? -4.960 -3.214 -7.518 1.00 68.55 ? 589 PRO A CD 1 ATOM 4722 N N . TRP A 1 590 ? -7.888 -4.697 -5.266 1.00 70.27 ? 590 TRP A N 1 ATOM 4723 C CA . TRP A 1 590 ? -8.780 -5.063 -4.166 1.00 72.04 ? 590 TRP A CA 1 ATOM 4724 C C . TRP A 1 590 ? -10.199 -4.915 -4.703 1.00 74.03 ? 590 TRP A C 1 ATOM 4725 O O . TRP A 1 590 ? -11.160 -5.333 -4.067 1.00 73.77 ? 590 TRP A O 1 ATOM 4726 C CB . TRP A 1 590 ? -8.584 -4.117 -2.977 1.00 70.64 ? 590 TRP A CB 1 ATOM 4727 C CG . TRP A 1 590 ? -7.597 -4.598 -1.938 1.00 68.99 ? 590 TRP A CG 1 ATOM 4728 C CD1 . TRP A 1 590 ? -7.886 -5.118 -0.708 1.00 68.63 ? 590 TRP A CD1 1 ATOM 4729 C CD2 . TRP A 1 590 ? -6.169 -4.570 -2.033 1.00 68.03 ? 590 TRP A CD2 1 ATOM 4730 N NE1 . TRP A 1 590 ? -6.724 -5.408 -0.028 1.00 68.09 ? 590 TRP A NE1 1 ATOM 4731 C CE2 . TRP A 1 590 ? -5.655 -5.081 -0.820 1.00 67.73 ? 590 TRP A CE2 1 ATOM 4732 C CE3 . TRP A 1 590 ? -5.273 -4.160 -3.026 1.00 67.20 ? 590 TRP A CE3 1 ATOM 4733 C CZ2 . TRP A 1 590 ? -4.280 -5.193 -0.576 1.00 67.88 ? 590 TRP A CZ2 1 ATOM 4734 C CZ3 . TRP A 1 590 ? -3.908 -4.271 -2.781 1.00 67.96 ? 590 TRP A CZ3 1 ATOM 4735 C CH2 . TRP A 1 590 ? -3.426 -4.782 -1.567 1.00 68.02 ? 590 TRP A CH2 1 ATOM 4736 N N . ALA A 1 591 ? -10.306 -4.317 -5.884 1.00 76.71 ? 591 ALA A N 1 ATOM 4737 C CA . ALA A 1 591 ? -11.582 -4.081 -6.531 1.00 79.69 ? 591 ALA A CA 1 ATOM 4738 C C . ALA A 1 591 ? -12.422 -5.333 -6.694 1.00 81.78 ? 591 ALA A C 1 ATOM 4739 O O . ALA A 1 591 ? -12.026 -6.273 -7.384 1.00 82.81 ? 591 ALA A O 1 ATOM 4740 C CB . ALA A 1 591 ? -11.344 -3.441 -7.888 1.00 79.51 ? 591 ALA A CB 1 ATOM 4741 N N . SER A 1 592 ? -13.581 -5.358 -6.055 1.00 84.09 ? 592 SER A N 1 ATOM 4742 C CA . SER A 1 592 ? -14.461 -6.505 -6.185 1.00 85.99 ? 592 SER A CA 1 ATOM 4743 C C . SER A 1 592 ? -15.424 -6.095 -7.269 1.00 87.41 ? 592 SER A C 1 ATOM 4744 O O . SER A 1 592 ? -16.124 -5.099 -7.109 1.00 87.44 ? 592 SER A O 1 ATOM 4745 C CB . SER A 1 592 ? -15.248 -6.734 -4.902 1.00 86.10 ? 592 SER A CB 1 ATOM 4746 O OG . SER A 1 592 ? -16.570 -7.140 -5.212 1.00 86.43 ? 592 SER A OG 1 ATOM 4747 N N . ARG A 1 593 ? -15.449 -6.812 -8.383 1.00 88.89 ? 593 ARG A N 1 ATOM 4748 C CA . ARG A 1 593 ? -16.376 -6.455 -9.440 1.00 90.39 ? 593 ARG A CA 1 ATOM 4749 C C . ARG A 1 593 ? -17.467 -7.511 -9.401 1.00 90.92 ? 593 ARG A C 1 ATOM 4750 O O . ARG A 1 593 ? -17.727 -8.189 -10.394 1.00 91.50 ? 593 ARG A O 1 ATOM 4751 C CB . ARG A 1 593 ? -15.680 -6.431 -10.821 1.00 90.62 ? 593 ARG A CB 1 ATOM 4752 C CG . ARG A 1 593 ? -15.778 -5.075 -11.579 1.00 91.91 ? 593 ARG A CG 1 ATOM 4753 C CD . ARG A 1 593 ? -15.318 -5.159 -13.049 1.00 92.90 ? 593 ARG A CD 1 ATOM 4754 N NE . ARG A 1 593 ? -16.183 -4.389 -13.949 1.00 94.49 ? 593 ARG A NE 1 ATOM 4755 C CZ . ARG A 1 593 ? -16.402 -4.702 -15.226 1.00 94.14 ? 593 ARG A CZ 1 ATOM 4756 N NH1 . ARG A 1 593 ? -15.813 -5.769 -15.751 1.00 94.59 ? 593 ARG A NH1 1 ATOM 4757 N NH2 . ARG A 1 593 ? -17.222 -3.970 -15.976 1.00 94.05 ? 593 ARG A NH2 1 ATOM 4758 N N . GLU A 1 594 ? -18.092 -7.656 -8.235 1.00 91.19 ? 594 GLU A N 1 ATOM 4759 C CA . GLU A 1 594 ? -19.162 -8.623 -8.063 1.00 91.62 ? 594 GLU A CA 1 ATOM 4760 C C . GLU A 1 594 ? -20.329 -8.302 -9.014 1.00 91.86 ? 594 GLU A C 1 ATOM 4761 O O . GLU A 1 594 ? -21.434 -8.819 -8.859 1.00 91.87 ? 594 GLU A O 1 ATOM 4762 C CB . GLU A 1 594 ? -19.602 -8.666 -6.582 1.00 91.55 ? 594 GLU A CB 1 ATOM 4763 C CG . GLU A 1 594 ? -18.703 -9.554 -5.681 1.00 91.61 ? 594 GLU A CG 1 ATOM 4764 C CD . GLU A 1 594 ? -18.772 -9.209 -4.181 1.00 91.83 ? 594 GLU A CD 1 ATOM 4765 O OE1 . GLU A 1 594 ? -19.100 -10.100 -3.361 1.00 92.07 ? 594 GLU A OE1 1 ATOM 4766 O OE2 . GLU A 1 594 ? -18.476 -8.047 -3.827 1.00 91.74 ? 594 GLU A OE2 1 ATOM 4767 N N . ASN A 1 595 ? -20.065 -7.445 -10.003 1.00 92.19 ? 595 ASN A N 1 ATOM 4768 C CA . ASN A 1 595 ? -21.052 -7.085 -11.026 1.00 92.09 ? 595 ASN A CA 1 ATOM 4769 C C . ASN A 1 595 ? -20.435 -7.287 -12.408 1.00 92.01 ? 595 ASN A C 1 ATOM 4770 O O . ASN A 1 595 ? -20.031 -6.325 -13.057 1.00 91.35 ? 595 ASN A O 1 ATOM 4771 C CB . ASN A 1 595 ? -21.504 -5.625 -10.898 1.00 92.12 ? 595 ASN A CB 1 ATOM 4772 C CG . ASN A 1 595 ? -22.530 -5.236 -11.966 1.00 92.23 ? 595 ASN A CG 1 ATOM 4773 O OD1 . ASN A 1 595 ? -22.176 -4.932 -13.109 1.00 92.88 ? 595 ASN A OD1 1 ATOM 4774 N ND2 . ASN A 1 595 ? -23.807 -5.269 -11.598 1.00 91.65 ? 595 ASN A ND2 1 HETATM 4775 C CHA . HEM B 2 . ? 8.994 0.118 28.247 1.00 26.18 ? 605 HEM A CHA 1 HETATM 4776 C CHB . HEM B 2 . ? 9.738 4.821 28.447 1.00 29.24 ? 605 HEM A CHB 1 HETATM 4777 C CHC . HEM B 2 . ? 10.765 4.651 23.730 1.00 22.34 ? 605 HEM A CHC 1 HETATM 4778 C CHD . HEM B 2 . ? 10.411 -0.031 23.481 1.00 27.45 ? 605 HEM A CHD 1 HETATM 4779 C C1A . HEM B 2 . ? 9.044 1.351 28.735 1.00 27.36 ? 605 HEM A C1A 1 HETATM 4780 C C2A . HEM B 2 . ? 8.833 1.721 30.205 1.00 28.35 ? 605 HEM A C2A 1 HETATM 4781 C C3A . HEM B 2 . ? 9.063 3.049 30.292 1.00 28.80 ? 605 HEM A C3A 1 HETATM 4782 C C4A . HEM B 2 . ? 9.408 3.497 28.909 1.00 27.83 ? 605 HEM A C4A 1 HETATM 4783 C CMA . HEM B 2 . ? 8.967 3.889 31.661 1.00 29.39 ? 605 HEM A CMA 1 HETATM 4784 C CAA . HEM B 2 . ? 8.442 0.875 31.419 1.00 29.34 ? 605 HEM A CAA 1 HETATM 4785 C CBA . HEM B 2 . ? 8.906 -0.554 31.395 1.00 32.26 ? 605 HEM A CBA 1 HETATM 4786 C CGA . HEM B 2 . ? 9.156 -0.963 32.827 1.00 31.15 ? 605 HEM A CGA 1 HETATM 4787 O O1A . HEM B 2 . ? 8.831 -0.211 33.757 1.00 34.11 ? 605 HEM A O1A 1 HETATM 4788 O O2A . HEM B 2 . ? 9.681 -2.058 32.981 1.00 33.30 ? 605 HEM A O2A 1 HETATM 4789 C C1B . HEM B 2 . ? 10.014 5.195 27.134 1.00 25.25 ? 605 HEM A C1B 1 HETATM 4790 C C2B . HEM B 2 . ? 10.144 6.576 26.579 1.00 25.20 ? 605 HEM A C2B 1 HETATM 4791 C C3B . HEM B 2 . ? 10.413 6.470 25.214 1.00 23.90 ? 605 HEM A C3B 1 HETATM 4792 C C4B . HEM B 2 . ? 10.474 5.056 24.957 1.00 23.84 ? 605 HEM A C4B 1 HETATM 4793 C CMB . HEM B 2 . ? 10.017 7.980 27.313 1.00 27.82 ? 605 HEM A CMB 1 HETATM 4794 C CAB . HEM B 2 . ? 10.646 7.600 24.083 1.00 24.68 ? 605 HEM A CAB 1 HETATM 4795 C CBB . HEM B 2 . ? 10.883 8.942 24.303 1.00 23.98 ? 605 HEM A CBB 1 HETATM 4796 C C1C . HEM B 2 . ? 10.775 3.398 23.308 1.00 24.01 ? 605 HEM A C1C 1 HETATM 4797 C C2C . HEM B 2 . ? 11.154 3.125 21.940 1.00 26.35 ? 605 HEM A C2C 1 HETATM 4798 C C3C . HEM B 2 . ? 11.100 1.783 21.807 1.00 26.40 ? 605 HEM A C3C 1 HETATM 4799 C C4C . HEM B 2 . ? 10.652 1.301 23.092 1.00 24.43 ? 605 HEM A C4C 1 HETATM 4800 C CMC . HEM B 2 . ? 11.535 4.279 20.931 1.00 26.52 ? 605 HEM A CMC 1 HETATM 4801 C CAC . HEM B 2 . ? 11.391 0.870 20.567 1.00 27.55 ? 605 HEM A CAC 1 HETATM 4802 C CBC . HEM B 2 . ? 12.173 1.156 19.508 1.00 30.15 ? 605 HEM A CBC 1 HETATM 4803 C C1D . HEM B 2 . ? 9.962 -0.345 24.828 1.00 28.19 ? 605 HEM A C1D 1 HETATM 4804 C C2D . HEM B 2 . ? 9.666 -1.696 25.174 1.00 28.75 ? 605 HEM A C2D 1 HETATM 4805 C C3D . HEM B 2 . ? 9.196 -1.637 26.607 1.00 28.94 ? 605 HEM A C3D 1 HETATM 4806 C C4D . HEM B 2 . ? 9.294 -0.227 26.979 1.00 27.71 ? 605 HEM A C4D 1 HETATM 4807 C CMD . HEM B 2 . ? 9.773 -2.949 24.257 1.00 28.89 ? 605 HEM A CMD 1 HETATM 4808 C CAD . HEM B 2 . ? 8.704 -2.884 27.466 1.00 32.66 ? 605 HEM A CAD 1 HETATM 4809 C CBD . HEM B 2 . ? 7.221 -2.954 26.975 1.00 33.13 ? 605 HEM A CBD 1 HETATM 4810 C CGD . HEM B 2 . ? 6.504 -4.216 27.564 1.00 37.27 ? 605 HEM A CGD 1 HETATM 4811 O O1D . HEM B 2 . ? 6.337 -5.159 26.747 1.00 36.77 ? 605 HEM A O1D 1 HETATM 4812 O O2D . HEM B 2 . ? 6.072 -4.232 28.753 1.00 38.37 ? 605 HEM A O2D 1 HETATM 4813 N NA . HEM B 2 . ? 9.392 2.428 28.055 1.00 28.94 ? 605 HEM A NA 1 HETATM 4814 N NB . HEM B 2 . ? 10.218 4.258 26.125 1.00 26.44 ? 605 HEM A NB 1 HETATM 4815 N NC . HEM B 2 . ? 10.473 2.300 23.962 1.00 26.33 ? 605 HEM A NC 1 HETATM 4816 N ND . HEM B 2 . ? 9.767 0.528 25.924 1.00 30.28 ? 605 HEM A ND 1 HETATM 4817 FE FE . HEM B 2 . ? 10.474 2.424 26.460 1.00 32.76 ? 605 HEM A FE 1 HETATM 4818 CA CA . CA C 3 . ? 0.165 -7.107 18.170 1.00 44.33 ? 606 CA A CA 1 HETATM 4819 S S . SCN D 4 . ? -11.807 0.711 26.718 1.00 17.50 ? 615 SCN A S 1 HETATM 4820 C C . SCN D 4 . ? -13.611 0.245 26.737 1.00 21.56 ? 615 SCN A C 1 HETATM 4821 N N . SCN D 4 . ? -14.776 0.004 26.847 1.00 25.92 ? 615 SCN A N 1 HETATM 4822 C C1 . NDG E 5 . ? 24.811 3.928 6.770 1.00 68.17 ? 596 NDG A C1 1 HETATM 4823 C C2 . NDG E 5 . ? 25.358 4.229 5.364 1.00 69.92 ? 596 NDG A C2 1 HETATM 4824 C C3 . NDG E 5 . ? 24.927 3.133 4.343 1.00 72.31 ? 596 NDG A C3 1 HETATM 4825 C C4 . NDG E 5 . ? 23.644 2.323 4.779 1.00 74.22 ? 596 NDG A C4 1 HETATM 4826 C C5 . NDG E 5 . ? 22.789 3.373 5.464 1.00 73.12 ? 596 NDG A C5 1 HETATM 4827 C C6 . NDG E 5 . ? 21.397 2.904 5.755 1.00 72.10 ? 596 NDG A C6 1 HETATM 4828 C C7 . NDG E 5 . ? 25.517 6.567 4.757 1.00 70.16 ? 596 NDG A C7 1 HETATM 4829 C C8 . NDG E 5 . ? 24.811 7.914 4.520 1.00 70.51 ? 596 NDG A C8 1 HETATM 4830 O O . NDG E 5 . ? 23.352 3.739 6.742 1.00 69.83 ? 596 NDG A O 1 HETATM 4831 O O3 . NDG E 5 . ? 25.986 2.215 4.140 1.00 72.03 ? 596 NDG A O3 1 HETATM 4832 O O4 . NDG E 5 . ? 22.908 1.759 3.629 1.00 78.72 ? 596 NDG A O4 1 HETATM 4833 O O6 . NDG E 5 . ? 20.603 3.966 6.274 1.00 71.58 ? 596 NDG A O6 1 HETATM 4834 O O7 . NDG E 5 . ? 26.776 6.503 4.653 1.00 70.45 ? 596 NDG A O7 1 HETATM 4835 N N2 . NDG E 5 . ? 24.760 5.514 5.085 1.00 69.92 ? 596 NDG A N2 1 HETATM 4836 C C1 . NAG F 6 . ? 22.536 0.425 3.419 1.00 83.89 ? 597 NAG A C1 1 HETATM 4837 C C2 . NAG F 6 . ? 21.379 0.454 2.354 1.00 86.10 ? 597 NAG A C2 1 HETATM 4838 C C3 . NAG F 6 . ? 21.711 0.113 0.948 1.00 88.04 ? 597 NAG A C3 1 HETATM 4839 C C4 . NAG F 6 . ? 22.741 -1.029 0.798 1.00 89.29 ? 597 NAG A C4 1 HETATM 4840 C C5 . NAG F 6 . ? 23.471 -1.398 2.140 1.00 88.55 ? 597 NAG A C5 1 HETATM 4841 C C6 . NAG F 6 . ? 24.807 -1.882 1.686 1.00 88.77 ? 597 NAG A C6 1 HETATM 4842 C C7 . NAG F 6 . ? 19.044 0.131 2.414 1.00 87.36 ? 597 NAG A C7 1 HETATM 4843 C C8 . NAG F 6 . ? 17.761 -0.760 2.512 1.00 87.83 ? 597 NAG A C8 1 HETATM 4844 N N2 . NAG F 6 . ? 20.268 -0.416 2.563 1.00 87.07 ? 597 NAG A N2 1 HETATM 4845 O O3 . NAG F 6 . ? 22.014 1.251 0.167 1.00 88.30 ? 597 NAG A O3 1 HETATM 4846 O O4 . NAG F 6 . ? 22.030 -2.231 0.338 1.00 91.97 ? 597 NAG A O4 1 HETATM 4847 O O5 . NAG F 6 . ? 23.729 -0.252 2.959 1.00 86.36 ? 597 NAG A O5 1 HETATM 4848 O O6 . NAG F 6 . ? 25.607 -0.801 1.195 1.00 89.50 ? 597 NAG A O6 1 HETATM 4849 O O7 . NAG F 6 . ? 18.888 1.382 2.278 1.00 87.62 ? 597 NAG A O7 1 HETATM 4850 C C1 . MAN G 7 . ? 20.736 -2.194 -0.264 1.00 94.84 ? 598 MAN A C1 1 HETATM 4851 C C2 . MAN G 7 . ? 19.985 -3.542 -0.040 1.00 95.46 ? 598 MAN A C2 1 HETATM 4852 C C3 . MAN G 7 . ? 19.694 -4.466 -1.255 1.00 96.31 ? 598 MAN A C3 1 HETATM 4853 C C4 . MAN G 7 . ? 20.097 -3.920 -2.624 1.00 96.14 ? 598 MAN A C4 1 HETATM 4854 C C5 . MAN G 7 . ? 21.240 -2.929 -2.505 1.00 96.18 ? 598 MAN A C5 1 HETATM 4855 C C6 . MAN G 7 . ? 21.572 -2.328 -3.848 1.00 95.65 ? 598 MAN A C6 1 HETATM 4856 O O2 . MAN G 7 . ? 18.758 -3.308 0.625 1.00 95.99 ? 598 MAN A O2 1 HETATM 4857 O O3 . MAN G 7 . ? 18.297 -4.761 -1.285 1.00 95.82 ? 598 MAN A O3 1 HETATM 4858 O O4 . MAN G 7 . ? 20.456 -4.990 -3.490 1.00 96.89 ? 598 MAN A O4 1 HETATM 4859 O O5 . MAN G 7 . ? 20.832 -1.842 -1.656 1.00 95.50 ? 598 MAN A O5 1 HETATM 4860 O O6 . MAN G 7 . ? 22.180 -3.271 -4.716 1.00 95.50 ? 598 MAN A O6 1 HETATM 4861 C C1 . NAG H 6 . ? -18.129 8.916 11.381 1.00 72.58 ? 599 NAG A C1 1 HETATM 4862 C C2 . NAG H 6 . ? -17.913 10.144 12.222 1.00 72.64 ? 599 NAG A C2 1 HETATM 4863 C C3 . NAG H 6 . ? -19.071 11.100 11.970 1.00 73.97 ? 599 NAG A C3 1 HETATM 4864 C C4 . NAG H 6 . ? -18.723 11.658 10.602 1.00 75.00 ? 599 NAG A C4 1 HETATM 4865 C C5 . NAG H 6 . ? -18.853 10.472 9.603 1.00 74.14 ? 599 NAG A C5 1 HETATM 4866 C C6 . NAG H 6 . ? -18.420 10.929 8.204 1.00 73.33 ? 599 NAG A C6 1 HETATM 4867 C C7 . NAG H 6 . ? -16.468 10.068 14.173 1.00 72.86 ? 599 NAG A C7 1 HETATM 4868 C C8 . NAG H 6 . ? -16.258 10.026 15.694 1.00 72.67 ? 599 NAG A C8 1 HETATM 4869 N N2 . NAG H 6 . ? -17.714 10.022 13.658 1.00 72.40 ? 599 NAG A N2 1 HETATM 4870 O O3 . NAG H 6 . ? -19.009 12.108 12.980 1.00 73.49 ? 599 NAG A O3 1 HETATM 4871 O O4 . NAG H 6 . ? -19.596 12.743 10.196 1.00 77.99 ? 599 NAG A O4 1 HETATM 4872 O O5 . NAG H 6 . ? -18.014 9.313 9.966 1.00 73.32 ? 599 NAG A O5 1 HETATM 4873 O O6 . NAG H 6 . ? -17.164 11.602 8.265 1.00 73.29 ? 599 NAG A O6 1 HETATM 4874 O O7 . NAG H 6 . ? -15.440 10.096 13.428 1.00 72.35 ? 599 NAG A O7 1 HETATM 4875 C C1 . NAG I 6 . ? -19.021 13.759 9.447 1.00 80.93 ? 600 NAG A C1 1 HETATM 4876 C C2 . NAG I 6 . ? -20.032 14.352 8.426 1.00 82.04 ? 600 NAG A C2 1 HETATM 4877 C C3 . NAG I 6 . ? -19.931 15.884 8.363 1.00 82.34 ? 600 NAG A C3 1 HETATM 4878 C C4 . NAG I 6 . ? -18.478 16.321 8.374 1.00 82.11 ? 600 NAG A C4 1 HETATM 4879 C C5 . NAG I 6 . ? -17.761 15.772 9.620 1.00 82.21 ? 600 NAG A C5 1 HETATM 4880 C C6 . NAG I 6 . ? -17.552 16.905 10.573 1.00 83.04 ? 600 NAG A C6 1 HETATM 4881 C C7 . NAG I 6 . ? -20.298 12.910 6.495 1.00 83.84 ? 600 NAG A C7 1 HETATM 4882 C C8 . NAG I 6 . ? -19.746 12.534 5.130 1.00 84.37 ? 600 NAG A C8 1 HETATM 4883 N N2 . NAG I 6 . ? -19.637 13.874 7.121 1.00 83.62 ? 600 NAG A N2 1 HETATM 4884 O O3 . NAG I 6 . ? -20.659 16.527 9.404 1.00 82.02 ? 600 NAG A O3 1 HETATM 4885 O O4 . NAG I 6 . ? -17.815 15.865 7.205 1.00 81.48 ? 600 NAG A O4 1 HETATM 4886 O O5 . NAG I 6 . ? -18.565 14.783 10.332 1.00 81.71 ? 600 NAG A O5 1 HETATM 4887 O O6 . NAG I 6 . ? -17.429 16.414 11.910 1.00 83.38 ? 600 NAG A O6 1 HETATM 4888 O O7 . NAG I 6 . ? -21.292 12.334 6.952 1.00 83.61 ? 600 NAG A O7 1 HETATM 4889 C C1 . NDG J 5 . ? 0.963 25.064 28.622 1.00 56.43 ? 601 NDG A C1 1 HETATM 4890 C C2 . NDG J 5 . ? 2.171 26.000 28.952 1.00 57.06 ? 601 NDG A C2 1 HETATM 4891 C C3 . NDG J 5 . ? 2.031 27.495 28.562 1.00 57.52 ? 601 NDG A C3 1 HETATM 4892 C C4 . NDG J 5 . ? 1.181 27.670 27.299 1.00 58.43 ? 601 NDG A C4 1 HETATM 4893 C C5 . NDG J 5 . ? -0.068 26.888 27.556 1.00 58.15 ? 601 NDG A C5 1 HETATM 4894 C C6 . NDG J 5 . ? -1.306 27.197 26.706 1.00 57.69 ? 601 NDG A C6 1 HETATM 4895 C C7 . NDG J 5 . ? 3.414 25.143 30.800 1.00 57.04 ? 601 NDG A C7 1 HETATM 4896 C C8 . NDG J 5 . ? 3.775 25.078 32.289 1.00 57.04 ? 601 NDG A C8 1 HETATM 4897 O O . NDG J 5 . ? 0.292 25.505 27.424 1.00 56.51 ? 601 NDG A O 1 HETATM 4898 O O3 . NDG J 5 . ? 3.319 28.044 28.343 1.00 56.96 ? 601 NDG A O3 1 HETATM 4899 O O4 . NDG J 5 . ? 0.915 29.053 27.041 1.00 62.12 ? 601 NDG A O4 1 HETATM 4900 O O6 . NDG J 5 . ? -1.105 26.886 25.337 1.00 57.75 ? 601 NDG A O6 1 HETATM 4901 O O7 . NDG J 5 . ? 4.035 24.440 30.010 1.00 56.32 ? 601 NDG A O7 1 HETATM 4902 N N2 . NDG J 5 . ? 2.413 25.921 30.383 1.00 56.79 ? 601 NDG A N2 1 HETATM 4903 C C1 . NAG K 6 . ? 0.852 29.379 25.703 1.00 65.04 ? 602 NAG A C1 1 HETATM 4904 C C2 . NAG K 6 . ? 0.314 30.790 25.567 1.00 66.78 ? 602 NAG A C2 1 HETATM 4905 C C3 . NAG K 6 . ? 0.788 31.378 24.265 1.00 69.10 ? 602 NAG A C3 1 HETATM 4906 C C4 . NAG K 6 . ? 2.305 31.585 24.393 1.00 70.49 ? 602 NAG A C4 1 HETATM 4907 C C5 . NAG K 6 . ? 2.981 30.453 25.174 1.00 69.24 ? 602 NAG A C5 1 HETATM 4908 C C6 . NAG K 6 . ? 3.321 30.745 26.620 1.00 69.56 ? 602 NAG A C6 1 HETATM 4909 C C7 . NAG K 6 . ? -1.715 30.969 26.851 1.00 66.40 ? 602 NAG A C7 1 HETATM 4910 C C8 . NAG K 6 . ? -3.245 30.957 26.925 1.00 64.41 ? 602 NAG A C8 1 HETATM 4911 N N2 . NAG K 6 . ? -1.131 30.795 25.660 1.00 66.78 ? 602 NAG A N2 1 HETATM 4912 O O3 . NAG K 6 . ? 0.129 32.633 24.041 1.00 69.07 ? 602 NAG A O3 1 HETATM 4913 O O4 . NAG K 6 . ? 2.879 31.576 23.096 1.00 74.51 ? 602 NAG A O4 1 HETATM 4914 O O5 . NAG K 6 . ? 2.177 29.245 25.123 1.00 66.70 ? 602 NAG A O5 1 HETATM 4915 O O6 . NAG K 6 . ? 4.685 31.121 26.749 1.00 68.12 ? 602 NAG A O6 1 HETATM 4916 O O7 . NAG K 6 . ? -1.067 31.150 27.888 1.00 65.28 ? 602 NAG A O7 1 HETATM 4917 C C1 . MAN L 7 . ? 3.178 32.761 22.455 1.00 78.59 ? 603 MAN A C1 1 HETATM 4918 C C2 . MAN L 7 . ? 3.416 33.950 23.411 1.00 80.01 ? 603 MAN A C2 1 HETATM 4919 C C3 . MAN L 7 . ? 2.986 35.233 22.664 1.00 80.54 ? 603 MAN A C3 1 HETATM 4920 C C4 . MAN L 7 . ? 3.411 35.111 21.192 1.00 80.95 ? 603 MAN A C4 1 HETATM 4921 C C5 . MAN L 7 . ? 2.587 33.994 20.524 1.00 80.46 ? 603 MAN A C5 1 HETATM 4922 C C6 . MAN L 7 . ? 3.376 33.159 19.515 1.00 80.78 ? 603 MAN A C6 1 HETATM 4923 O O2 . MAN L 7 . ? 4.796 34.040 23.725 1.00 81.13 ? 603 MAN A O2 1 HETATM 4924 O O3 . MAN L 7 . ? 3.592 36.379 23.242 1.00 80.49 ? 603 MAN A O3 1 HETATM 4925 O O4 . MAN L 7 . ? 3.176 36.334 20.532 1.00 82.02 ? 603 MAN A O4 1 HETATM 4926 O O5 . MAN L 7 . ? 2.121 33.074 21.536 1.00 80.07 ? 603 MAN A O5 1 HETATM 4927 O O6 . MAN L 7 . ? 3.449 31.791 19.931 1.00 81.27 ? 603 MAN A O6 1 HETATM 4928 C C1 . NAG M 6 . ? 8.596 -25.792 12.674 1.00 71.82 ? 604 NAG A C1 1 HETATM 4929 C C2 . NAG M 6 . ? 9.808 -26.320 11.875 1.00 74.43 ? 604 NAG A C2 1 HETATM 4930 C C3 . NAG M 6 . ? 10.834 -27.182 12.640 1.00 76.47 ? 604 NAG A C3 1 HETATM 4931 C C4 . NAG M 6 . ? 10.964 -26.876 14.159 1.00 77.77 ? 604 NAG A C4 1 HETATM 4932 C C5 . NAG M 6 . ? 9.628 -26.293 14.752 1.00 76.20 ? 604 NAG A C5 1 HETATM 4933 C C6 . NAG M 6 . ? 9.776 -25.654 16.100 1.00 76.35 ? 604 NAG A C6 1 HETATM 4934 C C7 . NAG M 6 . ? 9.145 -26.405 9.615 1.00 74.20 ? 604 NAG A C7 1 HETATM 4935 C C8 . NAG M 6 . ? 8.461 -27.110 8.427 1.00 74.37 ? 604 NAG A C8 1 HETATM 4936 N N2 . NAG M 6 . ? 9.204 -27.029 10.788 1.00 74.47 ? 604 NAG A N2 1 HETATM 4937 O O3 . NAG M 6 . ? 12.133 -27.052 12.064 1.00 75.04 ? 604 NAG A O3 1 HETATM 4938 O O4 . NAG M 6 . ? 11.470 -28.048 14.890 1.00 82.72 ? 604 NAG A O4 1 HETATM 4939 O O5 . NAG M 6 . ? 9.080 -25.258 13.901 1.00 73.59 ? 604 NAG A O5 1 HETATM 4940 O O6 . NAG M 6 . ? 10.495 -24.413 16.022 1.00 77.40 ? 604 NAG A O6 1 HETATM 4941 O O7 . NAG M 6 . ? 9.660 -25.297 9.444 1.00 74.25 ? 604 NAG A O7 1 HETATM 4942 C C1 . NAG N 6 . ? 12.714 -28.512 14.479 1.00 86.39 ? 607 NAG A C1 1 HETATM 4943 C C2 . NAG N 6 . ? 13.684 -28.610 15.711 1.00 88.15 ? 607 NAG A C2 1 HETATM 4944 C C3 . NAG N 6 . ? 13.681 -29.974 16.470 1.00 89.08 ? 607 NAG A C3 1 HETATM 4945 C C4 . NAG N 6 . ? 13.456 -31.168 15.539 1.00 89.14 ? 607 NAG A C4 1 HETATM 4946 C C5 . NAG N 6 . ? 13.649 -30.678 14.109 1.00 89.11 ? 607 NAG A C5 1 HETATM 4947 C C6 . NAG N 6 . ? 13.661 -31.787 13.105 1.00 89.36 ? 607 NAG A C6 1 HETATM 4948 C C7 . NAG N 6 . ? 15.320 -27.261 14.550 1.00 90.86 ? 607 NAG A C7 1 HETATM 4949 C C8 . NAG N 6 . ? 16.769 -27.078 14.149 1.00 91.60 ? 607 NAG A C8 1 HETATM 4950 N N2 . NAG N 6 . ? 15.028 -28.360 15.242 1.00 89.76 ? 607 NAG A N2 1 HETATM 4951 O O3 . NAG N 6 . ? 12.718 -29.963 17.507 1.00 89.25 ? 607 NAG A O3 1 HETATM 4952 O O4 . NAG N 6 . ? 14.384 -32.193 15.844 1.00 89.33 ? 607 NAG A O4 1 HETATM 4953 O O5 . NAG N 6 . ? 12.568 -29.776 13.783 1.00 87.55 ? 607 NAG A O5 1 HETATM 4954 O O6 . NAG N 6 . ? 14.621 -32.776 13.415 1.00 90.67 ? 607 NAG A O6 1 HETATM 4955 O O7 . NAG N 6 . ? 14.482 -26.413 14.224 1.00 91.19 ? 607 NAG A O7 1 HETATM 4956 I I . IOD O 8 . ? 12.329 -15.855 29.012 1.00 43.23 ? 608 IOD A I 1 HETATM 4957 I I . IOD P 8 . ? 26.116 6.257 43.174 1.00 60.12 ? 609 IOD A I 1 HETATM 4958 I I . IOD Q 8 . ? -1.459 11.935 36.318 1.00 56.91 ? 610 IOD A I 1 HETATM 4959 I I . IOD R 8 . ? 8.466 -8.606 4.392 1.00 57.53 ? 611 IOD A I 1 HETATM 4960 I I . IOD S 8 . ? 7.063 20.125 3.046 1.00 75.39 ? 612 IOD A I 1 HETATM 4961 I I . IOD T 8 . ? -12.812 13.686 21.040 1.00 85.51 ? 613 IOD A I 1 HETATM 4962 I I . IOD U 8 . ? 9.298 20.076 33.231 1.00 54.52 ? 614 IOD A I 1 HETATM 4963 O O . HOH V 9 . ? 7.848 1.815 25.495 1.00 48.10 ? 616 HOH A O 1 HETATM 4964 O O . HOH V 9 . ? 1.520 3.074 22.159 1.00 36.00 ? 617 HOH A O 1 HETATM 4965 O O . HOH V 9 . ? -3.388 5.053 16.576 1.00 52.81 ? 618 HOH A O 1 HETATM 4966 O O . HOH V 9 . ? -5.647 4.152 17.332 1.00 51.87 ? 619 HOH A O 1 HETATM 4967 O O . HOH V 9 . ? -7.532 6.432 17.426 1.00 61.40 ? 620 HOH A O 1 HETATM 4968 O O . HOH V 9 . ? -10.433 6.042 16.264 1.00 59.80 ? 621 HOH A O 1 HETATM 4969 O O . HOH V 9 . ? 5.538 0.145 28.785 1.00 67.54 ? 622 HOH A O 1 HETATM 4970 O O . HOH V 9 . ? 5.584 -1.785 31.084 1.00 64.42 ? 623 HOH A O 1 HETATM 4971 O O . HOH V 9 . ? 5.845 3.074 27.508 1.00 2.00 ? 624 HOH A O 1 HETATM 4972 O O . HOH V 9 . ? 4.722 4.950 30.034 1.00 39.52 ? 625 HOH A O 1 HETATM 4973 O O . HOH V 9 . ? 6.961 6.692 31.176 1.00 97.86 ? 626 HOH A O 1 HETATM 4974 O O . HOH V 9 . ? 5.075 3.955 33.358 1.00 50.32 ? 627 HOH A O 1 HETATM 4975 O O . HOH V 9 . ? 3.081 4.740 36.023 1.00 46.67 ? 628 HOH A O 1 HETATM 4976 O O . HOH V 9 . ? -2.699 6.637 34.285 1.00 51.97 ? 629 HOH A O 1 HETATM 4977 O O . HOH V 9 . ? -4.722 -27.154 11.546 1.00 33.80 ? 630 HOH A O 1 HETATM 4978 O O . HOH V 9 . ? 12.852 24.184 -2.744 1.00 70.87 ? 631 HOH A O 1 HETATM 4979 O O . HOH V 9 . ? 6.168 16.582 30.283 1.00 40.97 ? 632 HOH A O 1 HETATM 4980 O O . HOH V 9 . ? -18.183 7.176 16.103 1.00 41.86 ? 633 HOH A O 1 HETATM 4981 O O . HOH V 9 . ? 15.512 23.049 15.587 1.00 18.92 ? 634 HOH A O 1 HETATM 4982 O O . HOH V 9 . ? -24.480 3.448 8.740 1.00 37.04 ? 635 HOH A O 1 HETATM 4983 O O . HOH V 9 . ? 19.033 -10.568 34.187 1.00 25.81 ? 636 HOH A O 1 HETATM 4984 O O . HOH V 9 . ? 8.181 -24.952 20.252 1.00 51.32 ? 637 HOH A O 1 HETATM 4985 O O . HOH V 9 . ? 30.106 13.042 30.273 1.00 34.29 ? 638 HOH A O 1 HETATM 4986 O O . HOH V 9 . ? 35.787 -15.770 28.724 1.00 52.38 ? 639 HOH A O 1 HETATM 4987 O O . HOH V 9 . ? 24.095 -7.593 22.606 1.00 14.80 ? 640 HOH A O 1 HETATM 4988 O O . HOH V 9 . ? 16.166 22.974 23.894 1.00 15.70 ? 641 HOH A O 1 HETATM 4989 O O . HOH V 9 . ? 13.057 -24.155 29.002 1.00 19.14 ? 642 HOH A O 1 HETATM 4990 O O . HOH V 9 . ? 1.623 -1.177 46.140 1.00 24.43 ? 643 HOH A O 1 HETATM 4991 O O . HOH V 9 . ? -7.479 12.397 7.538 1.00 34.84 ? 644 HOH A O 1 HETATM 4992 O O . HOH V 9 . ? 21.767 2.858 18.229 1.00 48.98 ? 645 HOH A O 1 HETATM 4993 O O . HOH V 9 . ? -4.580 8.499 29.873 1.00 24.62 ? 646 HOH A O 1 HETATM 4994 O O . HOH V 9 . ? 21.085 13.809 23.079 1.00 32.15 ? 647 HOH A O 1 HETATM 4995 O O . HOH V 9 . ? 21.137 0.494 21.302 1.00 26.24 ? 648 HOH A O 1 HETATM 4996 O O . HOH V 9 . ? -17.290 21.154 9.485 1.00 42.05 ? 649 HOH A O 1 HETATM 4997 O O . HOH V 9 . ? -14.049 -8.294 18.928 1.00 19.67 ? 650 HOH A O 1 HETATM 4998 O O . HOH V 9 . ? 17.904 1.006 42.735 1.00 41.73 ? 651 HOH A O 1 HETATM 4999 O O . HOH V 9 . ? 15.601 15.156 17.892 1.00 23.98 ? 652 HOH A O 1 HETATM 5000 O O . HOH V 9 . ? -2.268 -1.062 32.080 1.00 61.07 ? 653 HOH A O 1 HETATM 5001 O O . HOH V 9 . ? -3.465 -3.005 21.285 1.00 36.21 ? 654 HOH A O 1 HETATM 5002 O O . HOH V 9 . ? 20.759 -18.206 45.485 1.00 25.49 ? 655 HOH A O 1 HETATM 5003 O O . HOH V 9 . ? 10.359 15.800 15.360 1.00 37.04 ? 656 HOH A O 1 HETATM 5004 O O . HOH V 9 . ? 22.360 13.020 49.959 1.00 34.94 ? 657 HOH A O 1 HETATM 5005 O O . HOH V 9 . ? 1.786 15.716 0.548 1.00 45.76 ? 658 HOH A O 1 HETATM 5006 O O . HOH V 9 . ? 0.230 34.908 21.796 1.00 51.21 ? 659 HOH A O 1 HETATM 5007 O O . HOH V 9 . ? 8.119 4.348 -1.994 1.00 66.82 ? 660 HOH A O 1 HETATM 5008 O O . HOH V 9 . ? 15.104 1.825 17.446 1.00 34.10 ? 661 HOH A O 1 HETATM 5009 O O . HOH V 9 . ? 1.568 5.230 30.039 1.00 18.61 ? 662 HOH A O 1 HETATM 5010 O O . HOH V 9 . ? 2.874 -11.381 13.346 1.00 42.68 ? 663 HOH A O 1 HETATM 5011 O O . HOH V 9 . ? 3.204 -12.825 24.332 1.00 40.12 ? 664 HOH A O 1 HETATM 5012 O O . HOH V 9 . ? 22.321 10.123 31.901 1.00 28.81 ? 665 HOH A O 1 HETATM 5013 O O . HOH V 9 . ? -2.794 23.350 38.654 1.00 38.46 ? 666 HOH A O 1 HETATM 5014 O O . HOH V 9 . ? 0.953 7.955 46.996 1.00 70.50 ? 667 HOH A O 1 HETATM 5015 O O . HOH V 9 . ? 30.478 -11.792 21.516 1.00 33.14 ? 668 HOH A O 1 HETATM 5016 O O . HOH V 9 . ? 0.527 -24.962 7.461 1.00 48.47 ? 669 HOH A O 1 HETATM 5017 O O . HOH V 9 . ? -6.144 10.804 29.106 1.00 56.51 ? 670 HOH A O 1 HETATM 5018 O O . HOH V 9 . ? 14.664 -19.220 49.873 1.00 50.26 ? 671 HOH A O 1 HETATM 5019 O O . HOH V 9 . ? -13.815 19.994 10.663 1.00 78.33 ? 672 HOH A O 1 HETATM 5020 O O . HOH V 9 . ? -4.509 -16.429 43.889 1.00 61.19 ? 673 HOH A O 1 HETATM 5021 O O . HOH V 9 . ? 29.752 0.084 20.276 1.00 47.83 ? 674 HOH A O 1 HETATM 5022 O O . HOH V 9 . ? 15.647 -20.463 47.943 1.00 64.40 ? 675 HOH A O 1 HETATM 5023 O O . HOH V 9 . ? -3.595 -27.005 36.110 1.00 52.73 ? 676 HOH A O 1 HETATM 5024 O O . HOH V 9 . ? 17.826 12.623 9.698 1.00 45.25 ? 677 HOH A O 1 HETATM 5025 O O . HOH V 9 . ? 11.666 -19.746 49.321 1.00 56.84 ? 678 HOH A O 1 HETATM 5026 O O . HOH V 9 . ? -0.426 -7.702 10.624 1.00 46.64 ? 679 HOH A O 1 HETATM 5027 O O . HOH V 9 . ? 32.274 16.254 28.133 1.00 53.35 ? 680 HOH A O 1 HETATM 5028 O O . HOH V 9 . ? -15.239 12.508 10.790 1.00 60.19 ? 681 HOH A O 1 HETATM 5029 O O . HOH V 9 . ? 26.244 -8.982 41.894 1.00 48.04 ? 682 HOH A O 1 HETATM 5030 O O . HOH V 9 . ? 30.310 16.985 18.429 1.00 54.06 ? 683 HOH A O 1 HETATM 5031 O O . HOH V 9 . ? -4.205 -11.438 -8.708 1.00 66.71 ? 684 HOH A O 1 HETATM 5032 O O . HOH V 9 . ? 10.413 -13.352 1.825 1.00 56.43 ? 685 HOH A O 1 HETATM 5033 O O . HOH V 9 . ? 10.255 14.056 45.900 1.00 67.33 ? 686 HOH A O 1 HETATM 5034 O O . HOH V 9 . ? 29.739 -2.152 10.178 1.00 58.03 ? 687 HOH A O 1 HETATM 5035 O O . HOH V 9 . ? -4.875 -15.819 46.782 1.00 15.75 ? 688 HOH A O 1 HETATM 5036 O O . HOH V 9 . ? 6.858 21.976 26.289 1.00 34.25 ? 689 HOH A O 1 HETATM 5037 O O . HOH V 9 . ? 39.661 1.899 34.562 1.00 58.34 ? 690 HOH A O 1 HETATM 5038 O O . HOH V 9 . ? -4.979 27.987 26.025 1.00 57.78 ? 691 HOH A O 1 HETATM 5039 O O . HOH V 9 . ? 13.229 5.563 38.728 1.00 30.82 ? 692 HOH A O 1 HETATM 5040 O O . HOH V 9 . ? 27.011 6.935 13.995 1.00 41.38 ? 693 HOH A O 1 HETATM 5041 O O . HOH V 9 . ? 25.317 -6.895 6.895 1.00 25.02 ? 694 HOH A O 1 HETATM 5042 O O . HOH V 9 . ? 31.951 -12.020 15.180 1.00 68.81 ? 695 HOH A O 1 HETATM 5043 O O . HOH V 9 . ? -0.714 7.446 26.834 1.00 27.32 ? 696 HOH A O 1 HETATM 5044 O O . HOH V 9 . ? 24.783 11.782 34.663 1.00 36.41 ? 697 HOH A O 1 HETATM 5045 O O . HOH V 9 . ? 27.076 5.765 30.212 1.00 27.75 ? 698 HOH A O 1 HETATM 5046 O O . HOH V 9 . ? -2.072 -1.457 25.098 1.00 48.18 ? 699 HOH A O 1 HETATM 5047 O O . HOH V 9 . ? -8.194 -21.706 14.746 1.00 64.45 ? 700 HOH A O 1 HETATM 5048 O O . HOH V 9 . ? 8.066 -17.719 22.091 1.00 29.95 ? 701 HOH A O 1 HETATM 5049 O O . HOH V 9 . ? -14.950 18.629 9.065 1.00 49.26 ? 702 HOH A O 1 HETATM 5050 O O . HOH V 9 . ? 21.297 13.414 39.609 1.00 41.55 ? 703 HOH A O 1 HETATM 5051 O O . HOH V 9 . ? 10.315 -0.291 -0.908 1.00 44.21 ? 704 HOH A O 1 HETATM 5052 O O . HOH V 9 . ? 30.842 -18.946 37.756 1.00 43.04 ? 705 HOH A O 1 HETATM 5053 O O . HOH V 9 . ? 25.821 14.687 17.228 1.00 49.53 ? 706 HOH A O 1 HETATM 5054 O O . HOH V 9 . ? 21.019 -10.526 6.414 1.00 46.11 ? 707 HOH A O 1 HETATM 5055 O O . HOH V 9 . ? 43.736 -10.103 26.275 1.00 36.45 ? 708 HOH A O 1 HETATM 5056 O O . HOH V 9 . ? -0.901 -21.431 24.878 1.00 54.60 ? 709 HOH A O 1 HETATM 5057 O O . HOH V 9 . ? 24.594 16.941 20.382 1.00 52.81 ? 710 HOH A O 1 HETATM 5058 O O . HOH V 9 . ? -2.683 5.650 49.719 1.00 75.94 ? 711 HOH A O 1 HETATM 5059 O O . HOH V 9 . ? -11.493 21.681 13.539 1.00 52.51 ? 712 HOH A O 1 HETATM 5060 O O . HOH V 9 . ? 3.772 21.059 16.172 1.00 46.30 ? 713 HOH A O 1 HETATM 5061 O O . HOH V 9 . ? 9.548 -5.355 -5.654 1.00 61.20 ? 714 HOH A O 1 HETATM 5062 O O . HOH V 9 . ? -20.096 -2.764 18.436 1.00 55.15 ? 715 HOH A O 1 HETATM 5063 O O . HOH V 9 . ? -1.756 -8.987 44.947 1.00 58.26 ? 716 HOH A O 1 HETATM 5064 O O . HOH V 9 . ? -2.631 9.361 35.677 1.00 60.65 ? 717 HOH A O 1 HETATM 5065 O O . HOH V 9 . ? 18.121 14.297 17.957 1.00 34.78 ? 718 HOH A O 1 HETATM 5066 O O . HOH V 9 . ? 10.861 -7.059 52.457 1.00 50.80 ? 719 HOH A O 1 HETATM 5067 O O . HOH V 9 . ? 17.448 -31.630 14.768 1.00 49.89 ? 720 HOH A O 1 HETATM 5068 O O . HOH V 9 . ? 12.658 -1.053 -0.297 1.00 45.91 ? 721 HOH A O 1 HETATM 5069 O O . HOH V 9 . ? 5.950 17.991 36.794 1.00 50.17 ? 722 HOH A O 1 HETATM 5070 O O . HOH V 9 . ? -16.446 -19.636 27.755 1.00 62.01 ? 723 HOH A O 1 HETATM 5071 O O . HOH V 9 . ? 30.243 11.086 22.155 1.00 45.24 ? 724 HOH A O 1 HETATM 5072 O O . HOH V 9 . ? -7.320 15.818 35.334 1.00 41.90 ? 725 HOH A O 1 HETATM 5073 O O . HOH V 9 . ? 4.848 20.416 19.074 1.00 41.88 ? 726 HOH A O 1 HETATM 5074 O O . HOH V 9 . ? -21.807 -6.308 -6.685 1.00 49.38 ? 727 HOH A O 1 HETATM 5075 O O . HOH V 9 . ? 3.754 -24.308 4.551 1.00 65.05 ? 728 HOH A O 1 HETATM 5076 O O . HOH V 9 . ? -15.981 -10.972 -10.984 1.00 96.15 ? 729 HOH A O 1 HETATM 5077 O O . HOH V 9 . ? -6.689 23.607 17.187 1.00 49.45 ? 730 HOH A O 1 HETATM 5078 O O . HOH V 9 . ? 22.309 13.107 29.595 1.00 38.55 ? 731 HOH A O 1 HETATM 5079 O O . HOH V 9 . ? 6.255 -8.780 51.397 1.00 35.56 ? 732 HOH A O 1 HETATM 5080 O O . HOH V 9 . ? -2.033 28.701 22.946 1.00 57.71 ? 733 HOH A O 1 HETATM 5081 O O . HOH V 9 . ? 16.816 -11.563 37.652 1.00 25.10 ? 734 HOH A O 1 HETATM 5082 O O . HOH V 9 . ? -2.485 7.185 -2.287 1.00 50.44 ? 735 HOH A O 1 HETATM 5083 O O . HOH V 9 . ? 10.575 5.657 3.411 1.00 36.48 ? 736 HOH A O 1 HETATM 5084 O O . HOH V 9 . ? -19.874 -1.517 10.886 1.00 47.56 ? 737 HOH A O 1 HETATM 5085 O O . HOH V 9 . ? 6.389 11.554 37.604 1.00 34.37 ? 738 HOH A O 1 HETATM 5086 O O . HOH V 9 . ? -0.438 -18.841 25.486 1.00 37.60 ? 739 HOH A O 1 HETATM 5087 O O . HOH V 9 . ? 6.672 -5.540 33.105 1.00 40.97 ? 740 HOH A O 1 HETATM 5088 O O . HOH V 9 . ? 1.797 12.358 -4.640 1.00 36.93 ? 741 HOH A O 1 HETATM 5089 O O . HOH V 9 . ? -4.090 -12.426 15.108 1.00 43.04 ? 742 HOH A O 1 HETATM 5090 O O . HOH V 9 . ? -1.314 -18.281 30.669 1.00 32.87 ? 743 HOH A O 1 HETATM 5091 O O . HOH V 9 . ? -10.208 -8.747 -0.514 1.00 48.25 ? 744 HOH A O 1 HETATM 5092 O O . HOH V 9 . ? -0.324 -15.970 23.738 1.00 32.44 ? 745 HOH A O 1 HETATM 5093 O O . HOH V 9 . ? -5.639 -6.620 17.616 1.00 50.70 ? 746 HOH A O 1 HETATM 5094 O O . HOH V 9 . ? 33.081 3.236 29.412 1.00 26.94 ? 747 HOH A O 1 HETATM 5095 O O . HOH V 9 . ? -3.595 -23.023 24.407 1.00 51.58 ? 748 HOH A O 1 HETATM 5096 O O . HOH V 9 . ? 16.673 25.221 1.087 1.00 65.73 ? 749 HOH A O 1 HETATM 5097 O O . HOH V 9 . ? 22.552 16.321 30.006 1.00 46.58 ? 750 HOH A O 1 HETATM 5098 O O . HOH V 9 . ? 1.291 -18.954 34.830 1.00 41.78 ? 751 HOH A O 1 HETATM 5099 O O . HOH V 9 . ? 8.430 27.325 18.005 1.00 24.40 ? 752 HOH A O 1 HETATM 5100 O O . HOH V 9 . ? 13.131 -19.011 20.082 1.00 51.10 ? 753 HOH A O 1 HETATM 5101 O O . HOH V 9 . ? -19.365 -20.096 26.269 1.00 54.57 ? 754 HOH A O 1 HETATM 5102 O O . HOH V 9 . ? 3.987 27.479 24.134 1.00 38.38 ? 755 HOH A O 1 HETATM 5103 O O . HOH V 9 . ? 2.227 13.003 23.709 1.00 35.27 ? 756 HOH A O 1 HETATM 5104 O O . HOH V 9 . ? -0.428 -3.242 20.804 1.00 27.44 ? 757 HOH A O 1 HETATM 5105 O O . HOH V 9 . ? 13.130 18.056 -2.027 1.00 39.52 ? 758 HOH A O 1 HETATM 5106 O O . HOH V 9 . ? 19.941 16.184 21.390 1.00 45.44 ? 759 HOH A O 1 HETATM 5107 O O . HOH V 9 . ? 20.925 -9.834 39.077 1.00 47.44 ? 760 HOH A O 1 HETATM 5108 O O . HOH V 9 . ? 5.716 -9.885 38.688 1.00 37.24 ? 761 HOH A O 1 HETATM 5109 O O . HOH V 9 . ? -3.182 -2.507 29.151 1.00 51.72 ? 762 HOH A O 1 HETATM 5110 O O . HOH V 9 . ? 27.092 15.673 14.116 1.00 53.30 ? 763 HOH A O 1 HETATM 5111 O O . HOH V 9 . ? 6.138 -9.488 45.681 1.00 44.57 ? 764 HOH A O 1 HETATM 5112 O O . HOH V 9 . ? 30.272 5.401 32.687 1.00 39.67 ? 765 HOH A O 1 HETATM 5113 O O . HOH V 9 . ? 5.889 -20.792 28.419 1.00 35.12 ? 766 HOH A O 1 HETATM 5114 O O . HOH V 9 . ? 29.138 3.231 20.060 1.00 42.04 ? 767 HOH A O 1 HETATM 5115 O O . HOH V 9 . ? -4.284 -23.545 9.313 1.00 57.10 ? 768 HOH A O 1 HETATM 5116 O O . HOH V 9 . ? -6.797 -14.441 14.378 1.00 50.46 ? 769 HOH A O 1 HETATM 5117 O O . HOH V 9 . ? 31.433 5.763 37.558 1.00 46.98 ? 770 HOH A O 1 HETATM 5118 O O . HOH V 9 . ? -7.004 -11.478 37.075 1.00 46.06 ? 771 HOH A O 1 HETATM 5119 O O . HOH V 9 . ? 11.038 16.086 43.242 1.00 48.91 ? 772 HOH A O 1 HETATM 5120 O O . HOH V 9 . ? -10.667 -1.310 16.591 1.00 40.14 ? 773 HOH A O 1 HETATM 5121 O O . HOH V 9 . ? 3.107 -16.450 40.084 1.00 72.15 ? 774 HOH A O 1 HETATM 5122 O O . HOH V 9 . ? 2.201 27.674 21.639 1.00 39.62 ? 775 HOH A O 1 HETATM 5123 O O . HOH V 9 . ? 0.930 11.316 54.068 1.00 51.29 ? 776 HOH A O 1 HETATM 5124 O O . HOH V 9 . ? 17.329 -1.704 42.847 1.00 40.75 ? 777 HOH A O 1 HETATM 5125 O O . HOH V 9 . ? -1.347 16.888 8.644 1.00 41.86 ? 778 HOH A O 1 HETATM 5126 O O . HOH V 9 . ? 19.642 16.169 30.246 1.00 38.04 ? 779 HOH A O 1 HETATM 5127 O O . HOH V 9 . ? 25.051 18.677 51.282 1.00 33.76 ? 780 HOH A O 1 HETATM 5128 O O . HOH V 9 . ? 6.726 0.223 38.321 1.00 54.81 ? 781 HOH A O 1 HETATM 5129 O O . HOH V 9 . ? -2.331 12.640 39.617 1.00 52.37 ? 782 HOH A O 1 HETATM 5130 O O . HOH V 9 . ? -4.546 -8.189 10.259 1.00 39.16 ? 783 HOH A O 1 HETATM 5131 O O . HOH V 9 . ? 24.258 -15.481 34.254 1.00 29.71 ? 784 HOH A O 1 HETATM 5132 O O . HOH V 9 . ? 31.119 -16.188 21.669 1.00 40.07 ? 785 HOH A O 1 HETATM 5133 O O . HOH V 9 . ? 15.131 -28.747 11.620 1.00 52.50 ? 786 HOH A O 1 HETATM 5134 O O . HOH V 9 . ? -4.137 -22.578 45.573 1.00 43.58 ? 787 HOH A O 1 HETATM 5135 O O . HOH V 9 . ? 24.546 3.162 49.223 1.00 57.75 ? 788 HOH A O 1 HETATM 5136 O O . HOH V 9 . ? -8.099 -9.275 24.802 1.00 57.60 ? 789 HOH A O 1 HETATM 5137 O O . HOH V 9 . ? 15.912 24.329 -1.455 1.00 47.62 ? 790 HOH A O 1 HETATM 5138 O O . HOH V 9 . ? 28.856 -1.858 5.148 1.00 71.85 ? 791 HOH A O 1 HETATM 5139 O O . HOH V 9 . ? -12.449 -10.229 16.560 1.00 57.87 ? 792 HOH A O 1 HETATM 5140 O O . HOH V 9 . ? -3.342 -1.480 34.459 1.00 49.59 ? 793 HOH A O 1 HETATM 5141 O O . HOH V 9 . ? 14.669 16.590 37.541 1.00 53.72 ? 794 HOH A O 1 HETATM 5142 O O . HOH V 9 . ? 1.614 -14.638 25.777 1.00 45.01 ? 795 HOH A O 1 HETATM 5143 O O . HOH V 9 . ? -7.363 -8.753 9.626 1.00 35.79 ? 796 HOH A O 1 HETATM 5144 O O . HOH V 9 . ? 30.855 19.207 17.555 1.00 53.66 ? 797 HOH A O 1 HETATM 5145 O O . HOH V 9 . ? 23.728 -6.634 -3.639 1.00 48.12 ? 798 HOH A O 1 HETATM 5146 O O . HOH V 9 . ? 4.614 -18.534 42.906 1.00 64.91 ? 799 HOH A O 1 HETATM 5147 O O . HOH V 9 . ? 26.169 13.776 5.911 1.00 45.34 ? 800 HOH A O 1 HETATM 5148 O O . HOH V 9 . ? -2.485 -7.566 35.031 1.00 51.81 ? 801 HOH A O 1 HETATM 5149 O O . HOH V 9 . ? 17.856 -5.326 25.121 1.00 71.04 ? 802 HOH A O 1 HETATM 5150 O O . HOH V 9 . ? -17.839 -3.309 16.017 1.00 66.84 ? 803 HOH A O 1 HETATM 5151 O O . HOH V 9 . ? 12.067 -18.395 8.918 1.00 46.03 ? 804 HOH A O 1 HETATM 5152 O O . HOH V 9 . ? 34.801 5.357 21.805 1.00 36.44 ? 805 HOH A O 1 HETATM 5153 O O . HOH V 9 . ? 21.964 -19.659 36.209 1.00 59.03 ? 806 HOH A O 1 HETATM 5154 O O . HOH V 9 . ? 6.659 33.744 21.043 1.00 56.98 ? 807 HOH A O 1 HETATM 5155 O O . HOH V 9 . ? 16.009 18.176 18.188 1.00 33.24 ? 808 HOH A O 1 HETATM 5156 O O . HOH V 9 . ? 26.803 4.390 47.236 1.00 55.22 ? 809 HOH A O 1 HETATM 5157 O O . HOH V 9 . ? 23.900 -13.689 53.056 1.00 42.11 ? 810 HOH A O 1 HETATM 5158 O O . HOH V 9 . ? 13.120 -2.110 47.954 1.00 34.52 ? 811 HOH A O 1 HETATM 5159 O O . HOH V 9 . ? -1.823 -28.919 11.698 1.00 59.10 ? 812 HOH A O 1 HETATM 5160 O O . HOH V 9 . ? -1.389 -19.022 33.143 1.00 46.01 ? 813 HOH A O 1 HETATM 5161 O O . HOH V 9 . ? 19.145 14.392 39.637 1.00 27.40 ? 814 HOH A O 1 HETATM 5162 O O . HOH V 9 . ? 12.406 -11.011 1.823 1.00 52.94 ? 815 HOH A O 1 HETATM 5163 O O . HOH V 9 . ? 12.246 -4.369 -1.238 1.00 48.85 ? 816 HOH A O 1 HETATM 5164 O O . HOH V 9 . ? 21.542 -18.136 43.118 1.00 50.07 ? 817 HOH A O 1 HETATM 5165 O O . HOH V 9 . ? 8.545 -9.781 0.643 1.00 50.23 ? 818 HOH A O 1 HETATM 5166 O O . HOH V 9 . ? 14.214 2.888 5.230 1.00 8.16 ? 819 HOH A O 1 HETATM 5167 O O . HOH V 9 . ? 14.313 -1.518 -3.119 1.00 44.20 ? 820 HOH A O 1 HETATM 5168 O O . HOH V 9 . ? -11.959 -15.889 22.678 1.00 29.75 ? 821 HOH A O 1 HETATM 5169 O O . HOH V 9 . ? -0.328 28.236 30.899 1.00 92.49 ? 822 HOH A O 1 HETATM 5170 O O . HOH V 9 . ? 16.633 -11.467 4.707 1.00 52.15 ? 823 HOH A O 1 HETATM 5171 O O . HOH V 9 . ? 13.996 13.089 22.161 1.00 34.24 ? 824 HOH A O 1 HETATM 5172 O O . HOH V 9 . ? 19.166 -22.419 22.833 1.00 26.06 ? 825 HOH A O 1 HETATM 5173 O O . HOH V 9 . ? 18.195 1.590 -2.033 1.00 53.76 ? 826 HOH A O 1 HETATM 5174 O O . HOH V 9 . ? 6.504 27.980 21.810 1.00 52.47 ? 827 HOH A O 1 HETATM 5175 O O . HOH V 9 . ? 6.264 -14.975 31.438 1.00 38.55 ? 828 HOH A O 1 HETATM 5176 O O . HOH V 9 . ? -13.232 -7.622 14.218 1.00 45.30 ? 829 HOH A O 1 HETATM 5177 O O . HOH V 9 . ? 28.178 -13.564 17.313 1.00 50.03 ? 830 HOH A O 1 HETATM 5178 O O . HOH V 9 . ? -22.311 -0.397 18.298 1.00 45.42 ? 831 HOH A O 1 HETATM 5179 O O . HOH V 9 . ? 1.051 23.739 34.483 1.00 50.36 ? 832 HOH A O 1 HETATM 5180 O O . HOH V 9 . ? 32.447 3.831 38.867 1.00 37.14 ? 833 HOH A O 1 HETATM 5181 O O . HOH V 9 . ? 20.620 20.242 20.968 1.00 55.15 ? 834 HOH A O 1 HETATM 5182 O O . HOH V 9 . ? -22.540 18.108 8.369 1.00 46.21 ? 835 HOH A O 1 HETATM 5183 O O . HOH V 9 . ? -19.636 -6.640 1.877 1.00 21.45 ? 836 HOH A O 1 HETATM 5184 O O . HOH V 9 . ? -1.472 17.618 26.897 1.00 32.51 ? 837 HOH A O 1 HETATM 5185 O O . HOH V 9 . ? 9.814 -20.708 34.414 1.00 53.09 ? 838 HOH A O 1 HETATM 5186 O O . HOH V 9 . ? 9.995 -22.623 32.621 1.00 53.15 ? 839 HOH A O 1 HETATM 5187 O O . HOH V 9 . ? 2.615 -13.947 46.009 1.00 40.85 ? 840 HOH A O 1 HETATM 5188 O O . HOH V 9 . ? 6.031 -25.803 31.952 1.00 57.90 ? 841 HOH A O 1 HETATM 5189 O O . HOH V 9 . ? 18.176 5.369 49.600 1.00 34.02 ? 842 HOH A O 1 HETATM 5190 O O . HOH V 9 . ? -3.243 -4.199 34.679 1.00 59.34 ? 843 HOH A O 1 HETATM 5191 O O . HOH V 9 . ? 17.748 -9.523 54.466 1.00 56.25 ? 844 HOH A O 1 HETATM 5192 O O . HOH V 9 . ? 14.197 -12.062 6.208 1.00 49.36 ? 845 HOH A O 1 HETATM 5193 O O . HOH V 9 . ? 9.649 28.940 2.002 1.00 48.34 ? 846 HOH A O 1 HETATM 5194 O O . HOH V 9 . ? -13.102 6.680 30.782 1.00 56.42 ? 847 HOH A O 1 HETATM 5195 O O . HOH V 9 . ? 41.205 -13.426 34.951 1.00 54.28 ? 848 HOH A O 1 HETATM 5196 O O . HOH V 9 . ? -10.868 -14.251 1.911 1.00 46.75 ? 849 HOH A O 1 HETATM 5197 O O . HOH V 9 . ? -0.138 19.372 37.599 1.00 63.40 ? 850 HOH A O 1 HETATM 5198 O O . HOH V 9 . ? -6.564 -4.011 51.600 1.00 75.68 ? 851 HOH A O 1 HETATM 5199 O O . HOH V 9 . ? 34.392 -10.042 42.527 1.00 55.03 ? 852 HOH A O 1 HETATM 5200 O O . HOH V 9 . ? 31.564 12.301 19.820 1.00 45.61 ? 853 HOH A O 1 HETATM 5201 O O . HOH V 9 . ? 9.395 -29.744 11.400 1.00 75.57 ? 854 HOH A O 1 HETATM 5202 O O . HOH V 9 . ? 7.557 -6.273 29.645 1.00 42.97 ? 855 HOH A O 1 HETATM 5203 O O . HOH V 9 . ? -8.154 23.358 6.685 1.00 47.11 ? 856 HOH A O 1 HETATM 5204 O O . HOH V 9 . ? 33.099 21.452 19.668 1.00 63.06 ? 857 HOH A O 1 HETATM 5205 O O . HOH V 9 . ? 30.478 -11.863 47.834 1.00 51.53 ? 858 HOH A O 1 HETATM 5206 O O . HOH V 9 . ? 2.090 -18.811 26.999 1.00 41.28 ? 859 HOH A O 1 HETATM 5207 O O . HOH V 9 . ? 5.777 -13.027 46.658 1.00 55.58 ? 860 HOH A O 1 HETATM 5208 O O . HOH V 9 . ? -5.224 27.339 21.381 1.00 64.94 ? 861 HOH A O 1 HETATM 5209 O O . HOH V 9 . ? 19.508 20.248 34.579 1.00 26.65 ? 862 HOH A O 1 HETATM 5210 O O . HOH V 9 . ? 2.625 -22.652 37.656 1.00 59.84 ? 863 HOH A O 1 HETATM 5211 O O . HOH V 9 . ? 15.772 26.407 3.134 1.00 50.48 ? 864 HOH A O 1 HETATM 5212 O O . HOH V 9 . ? 25.372 -4.621 -4.541 1.00 49.88 ? 865 HOH A O 1 HETATM 5213 O O . HOH V 9 . ? 0.189 -25.953 18.413 1.00 61.60 ? 866 HOH A O 1 HETATM 5214 O O . HOH V 9 . ? 16.304 -0.953 45.578 1.00 44.33 ? 867 HOH A O 1 HETATM 5215 O O . HOH V 9 . ? 20.306 -17.814 7.078 1.00 35.81 ? 868 HOH A O 1 HETATM 5216 O O . HOH V 9 . ? 2.553 -19.805 39.799 1.00 55.87 ? 869 HOH A O 1 HETATM 5217 O O . HOH V 9 . ? 23.407 10.804 38.960 1.00 44.72 ? 870 HOH A O 1 HETATM 5218 O O . HOH V 9 . ? -5.301 23.022 11.720 1.00 59.32 ? 871 HOH A O 1 HETATM 5219 O O . HOH V 9 . ? 20.045 15.428 35.048 1.00 23.62 ? 872 HOH A O 1 HETATM 5220 O O . HOH V 9 . ? -2.063 33.097 20.115 1.00 48.92 ? 873 HOH A O 1 HETATM 5221 O O . HOH V 9 . ? -2.869 -29.765 34.780 1.00 56.67 ? 874 HOH A O 1 HETATM 5222 O O . HOH V 9 . ? 8.349 -21.515 0.310 1.00 46.40 ? 875 HOH A O 1 HETATM 5223 O O . HOH V 9 . ? 26.667 9.152 7.446 1.00 48.08 ? 876 HOH A O 1 HETATM 5224 O O . HOH V 9 . ? -3.394 -10.249 7.413 1.00 41.91 ? 877 HOH A O 1 HETATM 5225 O O . HOH V 9 . ? 19.969 19.345 25.149 1.00 52.50 ? 878 HOH A O 1 HETATM 5226 O O . HOH V 9 . ? -15.655 0.878 11.452 1.00 41.14 ? 879 HOH A O 1 HETATM 5227 O O . HOH V 9 . ? 3.814 -24.648 21.105 1.00 54.82 ? 880 HOH A O 1 HETATM 5228 O O . HOH V 9 . ? -23.747 -5.559 -3.965 1.00 47.74 ? 881 HOH A O 1 HETATM 5229 O O . HOH V 9 . ? 24.877 -1.398 45.064 1.00 44.25 ? 882 HOH A O 1 HETATM 5230 O O . HOH V 9 . ? 35.164 -13.872 24.669 1.00 53.72 ? 883 HOH A O 1 HETATM 5231 O O . HOH V 9 . ? -3.466 1.658 34.742 1.00 63.11 ? 884 HOH A O 1 HETATM 5232 O O . HOH V 9 . ? 16.237 8.583 0.936 1.00 66.62 ? 885 HOH A O 1 HETATM 5233 O O . HOH V 9 . ? -18.633 0.525 10.102 1.00 34.87 ? 886 HOH A O 1 HETATM 5234 O O . HOH V 9 . ? -2.957 7.626 52.092 1.00 55.09 ? 887 HOH A O 1 HETATM 5235 O O . HOH V 9 . ? -10.446 -10.847 2.102 1.00 64.98 ? 888 HOH A O 1 HETATM 5236 O O . HOH V 9 . ? 2.149 36.783 17.500 1.00 49.78 ? 889 HOH A O 1 HETATM 5237 O O . HOH V 9 . ? 16.748 -1.110 -5.564 1.00 60.68 ? 890 HOH A O 1 HETATM 5238 O O . HOH V 9 . ? -12.914 -8.100 -10.324 1.00 41.97 ? 891 HOH A O 1 HETATM 5239 O O . HOH V 9 . ? 22.318 -2.199 8.299 1.00 41.15 ? 892 HOH A O 1 HETATM 5240 O O . HOH V 9 . ? 6.575 -28.502 11.001 1.00 60.98 ? 893 HOH A O 1 HETATM 5241 O O . HOH V 9 . ? 24.432 14.331 8.836 1.00 43.63 ? 894 HOH A O 1 HETATM 5242 O O . HOH V 9 . ? 28.613 2.320 4.634 1.00 62.61 ? 895 HOH A O 1 HETATM 5243 O O . HOH V 9 . ? -21.243 -20.206 28.535 1.00 95.50 ? 896 HOH A O 1 HETATM 5244 O O . HOH V 9 . ? 28.640 -11.721 15.181 1.00 54.04 ? 897 HOH A O 1 HETATM 5245 O O . HOH V 9 . ? 18.014 -6.546 -5.269 1.00 65.19 ? 898 HOH A O 1 HETATM 5246 O O . HOH V 9 . ? -16.316 -13.950 11.819 1.00 61.27 ? 899 HOH A O 1 HETATM 5247 O O . HOH V 9 . ? -16.862 -17.242 12.676 1.00 73.73 ? 900 HOH A O 1 HETATM 5248 O O . HOH V 9 . ? 32.788 5.099 24.052 1.00 40.06 ? 901 HOH A O 1 HETATM 5249 O O . HOH V 9 . ? 12.966 -37.528 15.594 1.00 56.97 ? 902 HOH A O 1 HETATM 5250 O O . HOH V 9 . ? 8.696 -30.510 15.528 1.00 37.74 ? 903 HOH A O 1 HETATM 5251 O O . HOH V 9 . ? 10.790 -32.123 15.533 1.00 63.99 ? 904 HOH A O 1 HETATM 5252 O O . HOH V 9 . ? 14.430 -35.205 17.467 1.00 49.86 ? 905 HOH A O 1 HETATM 5253 O O . HOH V 9 . ? 9.567 -22.484 18.272 1.00 21.66 ? 906 HOH A O 1 HETATM 5254 O O . HOH V 9 . ? 0.713 -25.056 22.540 1.00 36.13 ? 907 HOH A O 1 HETATM 5255 O O . HOH V 9 . ? -8.806 -18.498 25.865 1.00 54.13 ? 908 HOH A O 1 HETATM 5256 O O . HOH V 9 . ? -5.350 17.605 35.645 1.00 47.35 ? 909 HOH A O 1 HETATM 5257 O O . HOH V 9 . ? 37.026 -15.786 31.378 1.00 40.00 ? 910 HOH A O 1 HETATM 5258 O O . HOH V 9 . ? 25.120 1.402 9.372 1.00 39.00 ? 911 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 PHE 254 254 254 PHE PHE 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 ASP 410 410 410 ASP ASP 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 VAL 547 547 547 VAL VAL 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_struct_mod_residue.id _pdbx_struct_mod_residue.label_asym_id _pdbx_struct_mod_residue.label_comp_id _pdbx_struct_mod_residue.label_seq_id _pdbx_struct_mod_residue.auth_asym_id _pdbx_struct_mod_residue.auth_comp_id _pdbx_struct_mod_residue.auth_seq_id _pdbx_struct_mod_residue.PDB_ins_code _pdbx_struct_mod_residue.parent_comp_id _pdbx_struct_mod_residue.details 1 A ASN 205 A ASN 205 ? ASN 'GLYCOSYLATION SITE' 2 A ASN 332 A ASN 332 ? ASN 'GLYCOSYLATION SITE' 3 A ASN 241 A ASN 241 ? ASN 'GLYCOSYLATION SITE' 4 A ASN 95 A ASN 95 ? ASN 'GLYCOSYLATION SITE' 5 A SEP 198 A SEP 198 ? SER PHOSPHOSERINE # _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 # _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 ? C CA . ? A CA 606 ? 1_555 OD1 ? A ASP 110 ? A ASP 110 ? 1_555 76.1 ? 2 O ? A ASP 110 ? A ASP 110 ? 1_555 CA ? C CA . ? A CA 606 ? 1_555 O ? A THR 184 ? A THR 184 ? 1_555 84.3 ? 3 OD1 ? A ASP 110 ? A ASP 110 ? 1_555 CA ? C CA . ? A CA 606 ? 1_555 O ? A THR 184 ? A THR 184 ? 1_555 129.5 ? 4 O ? A ASP 110 ? A ASP 110 ? 1_555 CA ? C CA . ? A CA 606 ? 1_555 OG1 ? A THR 184 ? A THR 184 ? 1_555 132.6 ? 5 OD1 ? A ASP 110 ? A ASP 110 ? 1_555 CA ? C CA . ? A CA 606 ? 1_555 OG1 ? A THR 184 ? A THR 184 ? 1_555 150.5 ? 6 O ? A THR 184 ? A THR 184 ? 1_555 CA ? C CA . ? A CA 606 ? 1_555 OG1 ? A THR 184 ? A THR 184 ? 1_555 69.1 ? 7 O ? A ASP 110 ? A ASP 110 ? 1_555 CA ? C CA . ? A CA 606 ? 1_555 O ? A PHE 186 ? A PHE 186 ? 1_555 118.3 ? 8 OD1 ? A ASP 110 ? A ASP 110 ? 1_555 CA ? C CA . ? A CA 606 ? 1_555 O ? A PHE 186 ? A PHE 186 ? 1_555 67.1 ? 9 O ? A THR 184 ? A THR 184 ? 1_555 CA ? C CA . ? A CA 606 ? 1_555 O ? A PHE 186 ? A PHE 186 ? 1_555 83.2 ? 10 OG1 ? A THR 184 ? A THR 184 ? 1_555 CA ? C CA . ? A CA 606 ? 1_555 O ? A PHE 186 ? A PHE 186 ? 1_555 97.3 ? 11 O ? A ASP 110 ? A ASP 110 ? 1_555 CA ? C CA . ? A CA 606 ? 1_555 OD1 ? A ASP 188 ? A ASP 188 ? 1_555 135.3 ? 12 OD1 ? A ASP 110 ? A ASP 110 ? 1_555 CA ? C CA . ? A CA 606 ? 1_555 OD1 ? A ASP 188 ? A ASP 188 ? 1_555 78.1 ? 13 O ? A THR 184 ? A THR 184 ? 1_555 CA ? C CA . ? A CA 606 ? 1_555 OD1 ? A ASP 188 ? A ASP 188 ? 1_555 139.5 ? 14 OG1 ? A THR 184 ? A THR 184 ? 1_555 CA ? C CA . ? A CA 606 ? 1_555 OD1 ? A ASP 188 ? A ASP 188 ? 1_555 75.2 ? 15 O ? A PHE 186 ? A PHE 186 ? 1_555 CA ? C CA . ? A CA 606 ? 1_555 OD1 ? A ASP 188 ? A ASP 188 ? 1_555 83.0 ? 16 O ? A ASP 110 ? A ASP 110 ? 1_555 CA ? C CA . ? A CA 606 ? 1_555 OG ? A SER 190 ? A SER 190 ? 1_555 74.6 ? 17 OD1 ? A ASP 110 ? A ASP 110 ? 1_555 CA ? C CA . ? A CA 606 ? 1_555 OG ? A SER 190 ? A SER 190 ? 1_555 91.9 ? 18 O ? A THR 184 ? A THR 184 ? 1_555 CA ? C CA . ? A CA 606 ? 1_555 OG ? A SER 190 ? A SER 190 ? 1_555 127.1 ? 19 OG1 ? A THR 184 ? A THR 184 ? 1_555 CA ? C CA . ? A CA 606 ? 1_555 OG ? A SER 190 ? A SER 190 ? 1_555 90.7 ? 20 O ? A PHE 186 ? A PHE 186 ? 1_555 CA ? C CA . ? A CA 606 ? 1_555 OG ? A SER 190 ? A SER 190 ? 1_555 149.4 ? 21 OD1 ? A ASP 188 ? A ASP 188 ? 1_555 CA ? C CA . ? A CA 606 ? 1_555 OG ? A SER 190 ? A SER 190 ? 1_555 70.5 ? 22 NE2 ? A HIS 351 ? A HIS 351 ? 1_555 FE ? B HEM . ? A HEM 605 ? 1_555 NA ? B HEM . ? A HEM 605 ? 1_555 105.2 ? 23 NE2 ? A HIS 351 ? A HIS 351 ? 1_555 FE ? B HEM . ? A HEM 605 ? 1_555 NB ? B HEM . ? A HEM 605 ? 1_555 113.6 ? 24 NA ? B HEM . ? A HEM 605 ? 1_555 FE ? B HEM . ? A HEM 605 ? 1_555 NB ? B HEM . ? A HEM 605 ? 1_555 94.0 ? 25 NE2 ? A HIS 351 ? A HIS 351 ? 1_555 FE ? B HEM . ? A HEM 605 ? 1_555 NC ? B HEM . ? A HEM 605 ? 1_555 107.5 ? 26 NA ? B HEM . ? A HEM 605 ? 1_555 FE ? B HEM . ? A HEM 605 ? 1_555 NC ? B HEM . ? A HEM 605 ? 1_555 145.7 ? 27 NB ? B HEM . ? A HEM 605 ? 1_555 FE ? B HEM . ? A HEM 605 ? 1_555 NC ? B HEM . ? A HEM 605 ? 1_555 82.6 ? 28 NE2 ? A HIS 351 ? A HIS 351 ? 1_555 FE ? B HEM . ? A HEM 605 ? 1_555 ND ? B HEM . ? A HEM 605 ? 1_555 100.9 ? 29 NA ? B HEM . ? A HEM 605 ? 1_555 FE ? B HEM . ? A HEM 605 ? 1_555 ND ? B HEM . ? A HEM 605 ? 1_555 91.4 ? 30 NB ? B HEM . ? A HEM 605 ? 1_555 FE ? B HEM . ? A HEM 605 ? 1_555 ND ? B HEM . ? A HEM 605 ? 1_555 142.3 ? 31 NC ? B HEM . ? A HEM 605 ? 1_555 FE ? B HEM . ? A HEM 605 ? 1_555 ND ? B HEM . ? A HEM 605 ? 1_555 72.5 ? # 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 2009-03-31 2 'Structure model' 1 1 2011-07-13 # _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' 'Non-polymer description' 2 2 'Structure model' 'Version format compliance' # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal MAR345dtb 'data collection' . ? 1 AMoRE phasing . ? 2 CNS refinement 0.9 ? 3 AUTOMAR 'data reduction' . ? 4 # loop_ _pdbx_validate_close_contact.id _pdbx_validate_close_contact.PDB_model_num _pdbx_validate_close_contact.auth_atom_id_1 _pdbx_validate_close_contact.auth_asym_id_1 _pdbx_validate_close_contact.auth_comp_id_1 _pdbx_validate_close_contact.auth_seq_id_1 _pdbx_validate_close_contact.PDB_ins_code_1 _pdbx_validate_close_contact.label_alt_id_1 _pdbx_validate_close_contact.auth_atom_id_2 _pdbx_validate_close_contact.auth_asym_id_2 _pdbx_validate_close_contact.auth_comp_id_2 _pdbx_validate_close_contact.auth_seq_id_2 _pdbx_validate_close_contact.PDB_ins_code_2 _pdbx_validate_close_contact.label_alt_id_2 _pdbx_validate_close_contact.dist 1 1 OE2 A GLU 258 ? ? CMB A HEM 605 ? ? 1.47 2 1 OD2 A ASP 108 ? ? CMD A HEM 605 ? ? 1.51 # loop_ _pdbx_validate_rmsd_bond.id _pdbx_validate_rmsd_bond.PDB_model_num _pdbx_validate_rmsd_bond.auth_atom_id_1 _pdbx_validate_rmsd_bond.auth_asym_id_1 _pdbx_validate_rmsd_bond.auth_comp_id_1 _pdbx_validate_rmsd_bond.auth_seq_id_1 _pdbx_validate_rmsd_bond.PDB_ins_code_1 _pdbx_validate_rmsd_bond.label_alt_id_1 _pdbx_validate_rmsd_bond.auth_atom_id_2 _pdbx_validate_rmsd_bond.auth_asym_id_2 _pdbx_validate_rmsd_bond.auth_comp_id_2 _pdbx_validate_rmsd_bond.auth_seq_id_2 _pdbx_validate_rmsd_bond.PDB_ins_code_2 _pdbx_validate_rmsd_bond.label_alt_id_2 _pdbx_validate_rmsd_bond.bond_value _pdbx_validate_rmsd_bond.bond_target_value _pdbx_validate_rmsd_bond.bond_deviation _pdbx_validate_rmsd_bond.bond_standard_deviation _pdbx_validate_rmsd_bond.linker_flag 1 1 CB A TRP 2 ? ? CG A TRP 2 ? ? 1.378 1.498 -0.120 0.018 N 2 1 CA A PRO 145 ? ? C A PRO 145 ? ? 1.392 1.524 -0.132 0.020 N 3 1 N A PRO 171 ? ? CA A PRO 171 ? ? 1.572 1.468 0.104 0.017 N 4 1 CA A PRO 461 ? ? C A PRO 461 ? ? 1.398 1.524 -0.126 0.020 N # loop_ _pdbx_validate_rmsd_angle.id _pdbx_validate_rmsd_angle.PDB_model_num _pdbx_validate_rmsd_angle.auth_atom_id_1 _pdbx_validate_rmsd_angle.auth_asym_id_1 _pdbx_validate_rmsd_angle.auth_comp_id_1 _pdbx_validate_rmsd_angle.auth_seq_id_1 _pdbx_validate_rmsd_angle.PDB_ins_code_1 _pdbx_validate_rmsd_angle.label_alt_id_1 _pdbx_validate_rmsd_angle.auth_atom_id_2 _pdbx_validate_rmsd_angle.auth_asym_id_2 _pdbx_validate_rmsd_angle.auth_comp_id_2 _pdbx_validate_rmsd_angle.auth_seq_id_2 _pdbx_validate_rmsd_angle.PDB_ins_code_2 _pdbx_validate_rmsd_angle.label_alt_id_2 _pdbx_validate_rmsd_angle.auth_atom_id_3 _pdbx_validate_rmsd_angle.auth_asym_id_3 _pdbx_validate_rmsd_angle.auth_comp_id_3 _pdbx_validate_rmsd_angle.auth_seq_id_3 _pdbx_validate_rmsd_angle.PDB_ins_code_3 _pdbx_validate_rmsd_angle.label_alt_id_3 _pdbx_validate_rmsd_angle.angle_value _pdbx_validate_rmsd_angle.angle_target_value _pdbx_validate_rmsd_angle.angle_deviation _pdbx_validate_rmsd_angle.angle_standard_deviation _pdbx_validate_rmsd_angle.linker_flag 1 1 CB A TRP 2 ? ? CA A TRP 2 ? ? C A TRP 2 ? ? 95.74 110.40 -14.66 2.00 N 2 1 N A TRP 2 ? ? CA A TRP 2 ? ? C A TRP 2 ? ? 146.51 111.00 35.51 2.70 N 3 1 CA A PRO 9 ? ? N A PRO 9 ? ? CD A PRO 9 ? ? 100.36 111.70 -11.34 1.40 N 4 1 C A VAL 10 ? ? N A PRO 11 ? ? CD A PRO 11 ? ? 109.77 128.40 -18.63 2.10 Y 5 1 N A CYS 15 ? ? CA A CYS 15 ? ? C A CYS 15 ? ? 130.85 111.00 19.85 2.70 N 6 1 CA A PRO 34 ? ? N A PRO 34 ? ? CD A PRO 34 ? ? 103.23 111.70 -8.47 1.40 N 7 1 CA A PRO 145 ? ? N A PRO 145 ? ? CD A PRO 145 ? ? 102.92 111.70 -8.78 1.40 N 8 1 CA A PRO 159 ? ? N A PRO 159 ? ? CD A PRO 159 ? ? 100.35 111.70 -11.35 1.40 N 9 1 CB A CYS 167 ? ? CA A CYS 167 ? ? C A CYS 167 ? ? 123.30 111.50 11.80 1.20 N 10 1 N A CYS 167 ? ? CA A CYS 167 ? ? C A CYS 167 ? ? 93.21 111.00 -17.79 2.70 N 11 1 C A CYS 167 ? ? N A PRO 168 ? ? CD A PRO 168 ? ? 112.18 128.40 -16.22 2.10 Y 12 1 N A THR 169 ? ? CA A THR 169 ? ? C A THR 169 ? ? 94.42 111.00 -16.58 2.70 N 13 1 N A PRO 171 ? ? CA A PRO 171 ? ? C A PRO 171 ? ? 128.82 112.10 16.72 2.60 N 14 1 CB A TYR 172 ? ? CG A TYR 172 ? ? CD2 A TYR 172 ? ? 126.15 121.00 5.15 0.60 N 15 1 CB A TYR 172 ? ? CG A TYR 172 ? ? CD1 A TYR 172 ? ? 115.57 121.00 -5.43 0.60 N 16 1 CA A PRO 197 ? ? N A PRO 197 ? ? CD A PRO 197 ? ? 102.85 111.70 -8.85 1.40 N 17 1 CA A PRO 197 ? ? C A PRO 197 ? ? N A SEP 198 ? ? 100.84 117.20 -16.36 2.20 Y 18 1 C A LEU 227 ? ? N A PRO 228 ? ? CA A PRO 228 ? ? 128.88 119.30 9.58 1.50 Y 19 1 N A LYS 233 ? ? CA A LYS 233 ? ? C A LYS 233 ? ? 94.61 111.00 -16.39 2.70 N 20 1 C A ASP 336 ? ? N A PRO 337 ? ? CD A PRO 337 ? ? 103.66 128.40 -24.74 2.10 Y 21 1 C A ASP 393 ? ? N A PRO 394 ? ? CD A PRO 394 ? ? 112.60 128.40 -15.80 2.10 Y 22 1 N A LYS 427 ? ? CA A LYS 427 ? ? C A LYS 427 ? ? 127.25 111.00 16.25 2.70 N 23 1 C A GLN 460 ? ? N A PRO 461 ? ? CD A PRO 461 ? ? 114.86 128.40 -13.54 2.10 Y 24 1 CA A PRO 461 ? ? N A PRO 461 ? ? CD A PRO 461 ? ? 96.79 111.70 -14.91 1.40 N 25 1 C A TYR 572 ? ? N A PRO 573 ? ? CA A PRO 573 ? ? 174.80 119.30 55.50 1.50 Y 26 1 C A TYR 572 ? ? N A PRO 573 ? ? CD A PRO 573 ? ? 89.15 128.40 -39.25 2.10 Y 27 1 CA A PRO 573 ? ? N A PRO 573 ? ? CD A PRO 573 ? ? 86.20 111.70 -25.50 1.40 N 28 1 N A PRO 573 ? ? CA A PRO 573 ? ? CB A PRO 573 ? ? 119.03 103.30 15.73 1.20 N 29 1 N A PRO 573 ? ? CD A PRO 573 ? ? CG A PRO 573 ? ? 121.61 103.20 18.41 1.50 N # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 TRP A 2 ? ? 43.17 -131.91 2 1 GLU A 3 ? ? 0.95 96.56 3 1 ALA A 8 ? ? -77.14 -77.99 4 1 PRO A 9 ? ? -54.38 61.87 5 1 LEU A 12 ? ? -69.64 5.84 6 1 ASN A 18 ? ? -126.73 -77.92 7 1 SER A 19 ? ? 32.48 74.02 8 1 PRO A 20 ? ? -41.22 -9.82 9 1 ARG A 32 ? ? -53.15 -73.74 10 1 LEU A 36 ? ? -42.64 90.27 11 1 LEU A 55 ? ? -120.67 -67.31 12 1 ARG A 64 ? ? -85.20 30.47 13 1 LEU A 119 ? ? 33.63 33.44 14 1 SER A 121 ? ? -116.02 53.15 15 1 ASN A 122 ? ? -174.57 53.49 16 1 CYS A 129 ? ? -88.07 -73.89 17 1 ASP A 137 ? ? 43.68 -127.47 18 1 PHE A 140 ? ? -109.71 67.14 19 1 ASN A 147 ? ? 91.45 -6.16 20 1 PHE A 160 ? ? -162.35 101.02 21 1 VAL A 166 ? ? -86.66 -153.56 22 1 CYS A 167 ? ? 55.40 -133.56 23 1 PRO A 168 ? ? -56.73 -127.69 24 1 THR A 169 ? ? -162.44 -37.98 25 1 PRO A 171 ? ? -37.52 92.74 26 1 GLN A 173 ? ? -163.72 22.31 27 1 ALA A 176 ? ? -46.09 152.27 28 1 ASP A 188 ? ? -142.49 12.89 29 1 HIS A 222 ? ? 60.93 -127.73 30 1 ARG A 245 ? ? 38.63 51.18 31 1 ASN A 284 ? ? -108.52 67.27 32 1 PRO A 285 ? ? -39.04 -29.23 33 1 ARG A 348 ? ? -79.57 22.25 34 1 GLU A 363 ? ? -35.90 -29.00 35 1 PRO A 367 ? ? -42.67 104.92 36 1 GLU A 371 ? ? -107.88 48.16 37 1 PHE A 381 ? ? 35.68 46.80 38 1 ARG A 385 ? ? -54.49 -8.22 39 1 ASP A 389 ? ? -154.91 33.04 40 1 LYS A 411 ? ? -154.15 72.37 41 1 PRO A 424 ? ? -19.42 -35.26 42 1 LYS A 427 ? ? 33.99 -23.30 43 1 LYS A 485 ? ? 64.10 -21.48 44 1 PRO A 500 ? ? -44.45 157.01 45 1 ARG A 504 ? ? 58.98 14.70 46 1 ARG A 506 ? ? -140.51 12.10 47 1 ASN A 532 ? ? -41.16 102.93 48 1 GLN A 545 ? ? -67.91 28.20 49 1 HIS A 558 ? ? -97.86 35.62 50 1 PRO A 573 ? ? 124.35 -46.84 51 1 ARG A 593 ? ? -106.33 56.19 52 1 GLU A 594 ? ? -60.91 14.76 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 'PROTOPORPHYRIN IX CONTAINING FE' HEM 3 'CALCIUM ION' CA 4 'THIOCYANATE ION' SCN 5 '2-(ACETYLAMINO)-2-DEOXY-A-D-GLUCOPYRANOSE' NDG 6 N-ACETYL-D-GLUCOSAMINE NAG 7 ALPHA-D-MANNOSE MAN 8 'IODIDE ION' IOD 9 water HOH # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code B 2 HEM 1 605 605 HEM HEM A . C 3 CA 1 606 606 CA CA A . D 4 SCN 1 615 615 SCN SCN A . E 5 NDG 1 596 1 NDG NAG A . F 6 NAG 2 597 2 NAG NAG A . G 7 MAN 3 598 10 MAN MAN A . H 6 NAG 1 599 3 NAG NAG A . I 6 NAG 2 600 4 NAG NAG A . J 5 NDG 1 601 5 NDG NAG A . K 6 NAG 2 602 6 NAG NAG A . L 7 MAN 3 603 9 MAN MAN A . M 6 NAG 1 604 7 NAG NAG A . N 6 NAG 2 607 8 NAG NAG A . O 8 IOD 1 608 1 IOD IOD A . P 8 IOD 1 609 2 IOD IOD A . Q 8 IOD 1 610 3 IOD IOD A . R 8 IOD 1 611 4 IOD IOD A . S 8 IOD 1 612 5 IOD IOD A . T 8 IOD 1 613 6 IOD IOD A . U 8 IOD 1 614 7 IOD IOD A . V 9 HOH 1 616 1 HOH HOH A . V 9 HOH 2 617 2 HOH HOH A . V 9 HOH 3 618 3 HOH HOH A . V 9 HOH 4 619 4 HOH HOH A . V 9 HOH 5 620 5 HOH HOH A . V 9 HOH 6 621 6 HOH HOH A . V 9 HOH 7 622 2 HOH HOH A . V 9 HOH 8 623 3 HOH HOH A . V 9 HOH 9 624 4 HOH HOH A . V 9 HOH 10 625 5 HOH HOH A . V 9 HOH 11 626 6 HOH HOH A . V 9 HOH 12 627 12 HOH HOH A . V 9 HOH 13 628 13 HOH HOH A . V 9 HOH 14 629 14 HOH HOH A . V 9 HOH 15 630 15 HOH HOH A . V 9 HOH 16 631 16 HOH HOH A . V 9 HOH 17 632 17 HOH HOH A . V 9 HOH 18 633 18 HOH HOH A . V 9 HOH 19 634 19 HOH HOH A . V 9 HOH 20 635 20 HOH HOH A . V 9 HOH 21 636 21 HOH HOH A . V 9 HOH 22 637 22 HOH HOH A . V 9 HOH 23 638 23 HOH HOH A . V 9 HOH 24 639 24 HOH HOH A . V 9 HOH 25 640 25 HOH HOH A . V 9 HOH 26 641 26 HOH HOH A . V 9 HOH 27 642 27 HOH HOH A . V 9 HOH 28 643 28 HOH HOH A . V 9 HOH 29 644 29 HOH HOH A . V 9 HOH 30 645 30 HOH HOH A . V 9 HOH 31 646 31 HOH HOH A . V 9 HOH 32 647 32 HOH HOH A . V 9 HOH 33 648 33 HOH HOH A . V 9 HOH 34 649 34 HOH HOH A . V 9 HOH 35 650 35 HOH HOH A . V 9 HOH 36 651 36 HOH HOH A . V 9 HOH 37 652 37 HOH HOH A . V 9 HOH 38 653 38 HOH HOH A . V 9 HOH 39 654 39 HOH HOH A . V 9 HOH 40 655 40 HOH HOH A . V 9 HOH 41 656 41 HOH HOH A . V 9 HOH 42 657 42 HOH HOH A . V 9 HOH 43 658 43 HOH HOH A . V 9 HOH 44 659 44 HOH HOH A . V 9 HOH 45 660 45 HOH HOH A . V 9 HOH 46 661 46 HOH HOH A . V 9 HOH 47 662 47 HOH HOH A . V 9 HOH 48 663 48 HOH HOH A . V 9 HOH 49 664 49 HOH HOH A . V 9 HOH 50 665 50 HOH HOH A . V 9 HOH 51 666 51 HOH HOH A . V 9 HOH 52 667 52 HOH HOH A . V 9 HOH 53 668 53 HOH HOH A . V 9 HOH 54 669 54 HOH HOH A . V 9 HOH 55 670 55 HOH HOH A . V 9 HOH 56 671 56 HOH HOH A . V 9 HOH 57 672 57 HOH HOH A . V 9 HOH 58 673 58 HOH HOH A . V 9 HOH 59 674 59 HOH HOH A . V 9 HOH 60 675 60 HOH HOH A . V 9 HOH 61 676 61 HOH HOH A . V 9 HOH 62 677 62 HOH HOH A . V 9 HOH 63 678 63 HOH HOH A . V 9 HOH 64 679 64 HOH HOH A . V 9 HOH 65 680 65 HOH HOH A . V 9 HOH 66 681 66 HOH HOH A . V 9 HOH 67 682 67 HOH HOH A . V 9 HOH 68 683 68 HOH HOH A . V 9 HOH 69 684 69 HOH HOH A . V 9 HOH 70 685 70 HOH HOH A . V 9 HOH 71 686 71 HOH HOH A . V 9 HOH 72 687 72 HOH HOH A . V 9 HOH 73 688 73 HOH HOH A . V 9 HOH 74 689 74 HOH HOH A . V 9 HOH 75 690 75 HOH HOH A . V 9 HOH 76 691 76 HOH HOH A . V 9 HOH 77 692 77 HOH HOH A . V 9 HOH 78 693 78 HOH HOH A . V 9 HOH 79 694 79 HOH HOH A . V 9 HOH 80 695 80 HOH HOH A . V 9 HOH 81 696 81 HOH HOH A . V 9 HOH 82 697 82 HOH HOH A . V 9 HOH 83 698 83 HOH HOH A . V 9 HOH 84 699 84 HOH HOH A . V 9 HOH 85 700 85 HOH HOH A . V 9 HOH 86 701 86 HOH HOH A . V 9 HOH 87 702 87 HOH HOH A . V 9 HOH 88 703 88 HOH HOH A . V 9 HOH 89 704 89 HOH HOH A . V 9 HOH 90 705 90 HOH HOH A . V 9 HOH 91 706 91 HOH HOH A . V 9 HOH 92 707 92 HOH HOH A . V 9 HOH 93 708 93 HOH HOH A . V 9 HOH 94 709 94 HOH HOH A . V 9 HOH 95 710 95 HOH HOH A . V 9 HOH 96 711 96 HOH HOH A . V 9 HOH 97 712 97 HOH HOH A . V 9 HOH 98 713 98 HOH HOH A . V 9 HOH 99 714 99 HOH HOH A . V 9 HOH 100 715 100 HOH HOH A . V 9 HOH 101 716 101 HOH HOH A . V 9 HOH 102 717 102 HOH HOH A . V 9 HOH 103 718 103 HOH HOH A . V 9 HOH 104 719 104 HOH HOH A . V 9 HOH 105 720 105 HOH HOH A . V 9 HOH 106 721 106 HOH HOH A . V 9 HOH 107 722 107 HOH HOH A . V 9 HOH 108 723 108 HOH HOH A . V 9 HOH 109 724 109 HOH HOH A . V 9 HOH 110 725 110 HOH HOH A . V 9 HOH 111 726 111 HOH HOH A . V 9 HOH 112 727 112 HOH HOH A . V 9 HOH 113 728 113 HOH HOH A . V 9 HOH 114 729 114 HOH HOH A . V 9 HOH 115 730 115 HOH HOH A . V 9 HOH 116 731 116 HOH HOH A . V 9 HOH 117 732 117 HOH HOH A . V 9 HOH 118 733 118 HOH HOH A . V 9 HOH 119 734 119 HOH HOH A . V 9 HOH 120 735 120 HOH HOH A . V 9 HOH 121 736 121 HOH HOH A . V 9 HOH 122 737 122 HOH HOH A . V 9 HOH 123 738 123 HOH HOH A . V 9 HOH 124 739 124 HOH HOH A . V 9 HOH 125 740 125 HOH HOH A . V 9 HOH 126 741 126 HOH HOH A . V 9 HOH 127 742 127 HOH HOH A . V 9 HOH 128 743 128 HOH HOH A . V 9 HOH 129 744 129 HOH HOH A . V 9 HOH 130 745 130 HOH HOH A . V 9 HOH 131 746 131 HOH HOH A . V 9 HOH 132 747 132 HOH HOH A . V 9 HOH 133 748 133 HOH HOH A . V 9 HOH 134 749 134 HOH HOH A . V 9 HOH 135 750 135 HOH HOH A . V 9 HOH 136 751 136 HOH HOH A . V 9 HOH 137 752 137 HOH HOH A . V 9 HOH 138 753 138 HOH HOH A . V 9 HOH 139 754 139 HOH HOH A . V 9 HOH 140 755 140 HOH HOH A . V 9 HOH 141 756 141 HOH HOH A . V 9 HOH 142 757 142 HOH HOH A . V 9 HOH 143 758 143 HOH HOH A . V 9 HOH 144 759 144 HOH HOH A . V 9 HOH 145 760 145 HOH HOH A . V 9 HOH 146 761 146 HOH HOH A . V 9 HOH 147 762 147 HOH HOH A . V 9 HOH 148 763 148 HOH HOH A . V 9 HOH 149 764 149 HOH HOH A . V 9 HOH 150 765 150 HOH HOH A . V 9 HOH 151 766 151 HOH HOH A . V 9 HOH 152 767 152 HOH HOH A . V 9 HOH 153 768 153 HOH HOH A . V 9 HOH 154 769 154 HOH HOH A . V 9 HOH 155 770 155 HOH HOH A . V 9 HOH 156 771 156 HOH HOH A . V 9 HOH 157 772 157 HOH HOH A . V 9 HOH 158 773 158 HOH HOH A . V 9 HOH 159 774 159 HOH HOH A . V 9 HOH 160 775 160 HOH HOH A . V 9 HOH 161 776 161 HOH HOH A . V 9 HOH 162 777 162 HOH HOH A . V 9 HOH 163 778 163 HOH HOH A . V 9 HOH 164 779 164 HOH HOH A . V 9 HOH 165 780 165 HOH HOH A . V 9 HOH 166 781 166 HOH HOH A . V 9 HOH 167 782 167 HOH HOH A . V 9 HOH 168 783 168 HOH HOH A . V 9 HOH 169 784 169 HOH HOH A . V 9 HOH 170 785 170 HOH HOH A . V 9 HOH 171 786 171 HOH HOH A . V 9 HOH 172 787 172 HOH HOH A . V 9 HOH 173 788 173 HOH HOH A . V 9 HOH 174 789 174 HOH HOH A . V 9 HOH 175 790 175 HOH HOH A . V 9 HOH 176 791 176 HOH HOH A . V 9 HOH 177 792 177 HOH HOH A . V 9 HOH 178 793 178 HOH HOH A . V 9 HOH 179 794 179 HOH HOH A . V 9 HOH 180 795 180 HOH HOH A . V 9 HOH 181 796 181 HOH HOH A . V 9 HOH 182 797 182 HOH HOH A . V 9 HOH 183 798 183 HOH HOH A . V 9 HOH 184 799 184 HOH HOH A . V 9 HOH 185 800 185 HOH HOH A . V 9 HOH 186 801 186 HOH HOH A . V 9 HOH 187 802 187 HOH HOH A . V 9 HOH 188 803 188 HOH HOH A . V 9 HOH 189 804 189 HOH HOH A . V 9 HOH 190 805 190 HOH HOH A . V 9 HOH 191 806 191 HOH HOH A . V 9 HOH 192 807 192 HOH HOH A . V 9 HOH 193 808 193 HOH HOH A . V 9 HOH 194 809 194 HOH HOH A . V 9 HOH 195 810 195 HOH HOH A . V 9 HOH 196 811 196 HOH HOH A . V 9 HOH 197 812 197 HOH HOH A . V 9 HOH 198 813 198 HOH HOH A . V 9 HOH 199 814 199 HOH HOH A . V 9 HOH 200 815 200 HOH HOH A . V 9 HOH 201 816 201 HOH HOH A . V 9 HOH 202 817 202 HOH HOH A . V 9 HOH 203 818 203 HOH HOH A . V 9 HOH 204 819 204 HOH HOH A . V 9 HOH 205 820 205 HOH HOH A . V 9 HOH 206 821 206 HOH HOH A . V 9 HOH 207 822 207 HOH HOH A . V 9 HOH 208 823 208 HOH HOH A . V 9 HOH 209 824 209 HOH HOH A . V 9 HOH 210 825 210 HOH HOH A . V 9 HOH 211 826 211 HOH HOH A . V 9 HOH 212 827 212 HOH HOH A . V 9 HOH 213 828 213 HOH HOH A . V 9 HOH 214 829 214 HOH HOH A . V 9 HOH 215 830 215 HOH HOH A . V 9 HOH 216 831 216 HOH HOH A . V 9 HOH 217 832 217 HOH HOH A . V 9 HOH 218 833 218 HOH HOH A . V 9 HOH 219 834 219 HOH HOH A . V 9 HOH 220 835 220 HOH HOH A . V 9 HOH 221 836 221 HOH HOH A . V 9 HOH 222 837 222 HOH HOH A . V 9 HOH 223 838 223 HOH HOH A . V 9 HOH 224 839 224 HOH HOH A . V 9 HOH 225 840 225 HOH HOH A . V 9 HOH 226 841 226 HOH HOH A . V 9 HOH 227 842 227 HOH HOH A . V 9 HOH 228 843 228 HOH HOH A . V 9 HOH 229 844 229 HOH HOH A . V 9 HOH 230 845 230 HOH HOH A . V 9 HOH 231 846 231 HOH HOH A . V 9 HOH 232 847 232 HOH HOH A . V 9 HOH 233 848 233 HOH HOH A . V 9 HOH 234 849 234 HOH HOH A . V 9 HOH 235 850 235 HOH HOH A . V 9 HOH 236 851 236 HOH HOH A . V 9 HOH 237 852 237 HOH HOH A . V 9 HOH 238 853 238 HOH HOH A . V 9 HOH 239 854 239 HOH HOH A . V 9 HOH 240 855 240 HOH HOH A . V 9 HOH 241 856 241 HOH HOH A . V 9 HOH 242 857 242 HOH HOH A . V 9 HOH 243 858 243 HOH HOH A . V 9 HOH 244 859 244 HOH HOH A . V 9 HOH 245 860 245 HOH HOH A . V 9 HOH 246 861 246 HOH HOH A . V 9 HOH 247 862 247 HOH HOH A . V 9 HOH 248 863 248 HOH HOH A . V 9 HOH 249 864 249 HOH HOH A . V 9 HOH 250 865 250 HOH HOH A . V 9 HOH 251 866 251 HOH HOH A . V 9 HOH 252 867 252 HOH HOH A . V 9 HOH 253 868 253 HOH HOH A . V 9 HOH 254 869 254 HOH HOH A . V 9 HOH 255 870 255 HOH HOH A . V 9 HOH 256 871 256 HOH HOH A . V 9 HOH 257 872 257 HOH HOH A . V 9 HOH 258 873 258 HOH HOH A . V 9 HOH 259 874 259 HOH HOH A . V 9 HOH 260 875 260 HOH HOH A . V 9 HOH 261 876 261 HOH HOH A . V 9 HOH 262 877 262 HOH HOH A . V 9 HOH 263 878 263 HOH HOH A . V 9 HOH 264 879 264 HOH HOH A . V 9 HOH 265 880 265 HOH HOH A . V 9 HOH 266 881 266 HOH HOH A . V 9 HOH 267 882 267 HOH HOH A . V 9 HOH 268 883 268 HOH HOH A . V 9 HOH 269 884 269 HOH HOH A . V 9 HOH 270 885 270 HOH HOH A . V 9 HOH 271 886 271 HOH HOH A . V 9 HOH 272 887 272 HOH HOH A . V 9 HOH 273 888 273 HOH HOH A . V 9 HOH 274 889 274 HOH HOH A . V 9 HOH 275 890 275 HOH HOH A . V 9 HOH 276 891 276 HOH HOH A . V 9 HOH 277 892 277 HOH HOH A . V 9 HOH 278 893 278 HOH HOH A . V 9 HOH 279 894 279 HOH HOH A . V 9 HOH 280 895 280 HOH HOH A . V 9 HOH 281 896 281 HOH HOH A . V 9 HOH 282 897 282 HOH HOH A . V 9 HOH 283 898 283 HOH HOH A . V 9 HOH 284 899 284 HOH HOH A . V 9 HOH 285 900 285 HOH HOH A . V 9 HOH 286 901 286 HOH HOH A . V 9 HOH 287 902 287 HOH HOH A . V 9 HOH 288 903 288 HOH HOH A . V 9 HOH 289 904 289 HOH HOH A . V 9 HOH 290 905 290 HOH HOH A . V 9 HOH 291 906 291 HOH HOH A . V 9 HOH 292 907 292 HOH HOH A . V 9 HOH 293 908 293 HOH HOH A . V 9 HOH 294 909 294 HOH HOH A . V 9 HOH 295 910 295 HOH HOH A . V 9 HOH 296 911 296 HOH HOH A . #