data_5GZ5 # _entry.id 5GZ5 # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.284 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 5GZ5 WWPDB D_1300001706 # _pdbx_database_related.db_name PDB _pdbx_database_related.details . _pdbx_database_related.db_id 5GZ4 _pdbx_database_related.content_type unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.entry_id 5GZ5 _pdbx_database_status.recvd_initial_deposition_date 2016-09-26 _pdbx_database_status.SG_entry N _pdbx_database_status.deposit_site PDBJ _pdbx_database_status.process_site PDBJ _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? _pdbx_database_status.pdb_format_compatible Y # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Lin, C.C.' 1 'Wu, B.S.' 2 'Wu, W.G.' 3 # _citation.abstract ? _citation.abstract_id_CAS ? _citation.book_id_ISBN ? _citation.book_publisher ? _citation.book_publisher_city ? _citation.book_title ? _citation.coordinate_linkage ? _citation.country ? _citation.database_id_Medline ? _citation.details ? _citation.id primary _citation.journal_abbrev 'To Be Published' _citation.journal_id_ASTM ? _citation.journal_id_CSD 0353 _citation.journal_id_ISSN ? _citation.journal_full ? _citation.journal_issue ? _citation.journal_volume ? _citation.language ? _citation.page_first ? _citation.page_last ? _citation.title 'Crystal structure of snake venom phosphodiesterase (PDE) from Taiwan cobra (Naja atra atra) in complex with AMP' _citation.year ? _citation.database_id_CSD ? _citation.pdbx_database_id_DOI ? _citation.pdbx_database_id_PubMed ? _citation.unpublished_flag ? # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Lin, C.C.' 1 primary 'Wu, B.S.' 2 primary 'Wu, W.G.' 3 # _cell.angle_alpha 90.00 _cell.angle_alpha_esd ? _cell.angle_beta 90.00 _cell.angle_beta_esd ? _cell.angle_gamma 90.00 _cell.angle_gamma_esd ? _cell.entry_id 5GZ5 _cell.details ? _cell.formula_units_Z ? _cell.length_a 171.207 _cell.length_a_esd ? _cell.length_b 65.612 _cell.length_b_esd ? _cell.length_c 88.675 _cell.length_c_esd ? _cell.volume ? _cell.volume_esd ? _cell.Z_PDB 4 _cell.reciprocal_angle_alpha ? _cell.reciprocal_angle_beta ? _cell.reciprocal_angle_gamma ? _cell.reciprocal_angle_alpha_esd ? _cell.reciprocal_angle_beta_esd ? _cell.reciprocal_angle_gamma_esd ? _cell.reciprocal_length_a ? _cell.reciprocal_length_b ? _cell.reciprocal_length_c ? _cell.reciprocal_length_a_esd ? _cell.reciprocal_length_b_esd ? _cell.reciprocal_length_c_esd ? _cell.pdbx_unique_axis ? # _symmetry.entry_id 5GZ5 _symmetry.cell_setting ? _symmetry.Int_Tables_number 18 _symmetry.space_group_name_Hall ? _symmetry.space_group_name_H-M 'P 21 21 2' _symmetry.pdbx_full_space_group_name_H-M ? # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details 1 polymer nat 'Snake venom phosphodiesterase (PDE)' 94728.836 1 ? ? ? ? 2 non-polymer syn N-ACETYL-D-GLUCOSAMINE 221.208 8 ? ? ? ? 3 non-polymer man BETA-D-MANNOSE 180.156 1 ? ? ? ? 4 non-polymer man ALPHA-D-MANNOSE 180.156 1 ? ? ? ? 5 non-polymer man ALPHA-L-FUCOSE 164.156 2 ? ? ? ? 6 non-polymer syn 'ZINC ION' 65.409 2 ? ? ? ? 7 non-polymer syn 'CALCIUM ION' 40.078 1 ? ? ? ? 8 non-polymer syn 'ADENOSINE MONOPHOSPHATE' 347.221 1 ? ? ? ? 9 water nat water 18.015 804 ? ? ? ? # _entity_poly.entity_id 1 _entity_poly.type 'polypeptide(L)' _entity_poly.nstd_linkage no _entity_poly.nstd_monomer no _entity_poly.pdbx_seq_one_letter_code ;LKQSKQPLESCRNRCNETFSEELSYCSCDNKCTERKACCWDYQDICVLPTQSWSCNKLRCGEKRMANVLCSCSEDCLTKK DCCTDYKSICKRETSWLKDQCASSSASQCPEGFDQSPLILFSMDGFRAEYLETWDTLMPNINKLKTCGTHAKYMRAVYPT KTFVNHYTIVTGLYAETHGIIDNNMYDVKLNQNFSLSGSNMRNAAWWGGQPIWHTASYQGLKAATYFWPGSEVKINGSYP TIYKVYNKSTPFEARVMEVLKWLDLPKAKRPDFSTLYIEEPDTTGHKFGPVSGQVIKSLQMADRTLGMLMEGLKQRNLHN CVNLILLADHGMEAISCNRLEYMTDYFNTVDFFMYEGAAPRIRSKNVPKDFYTFDSEAIVKKLTCRKPKQHFKAYLAKDL PKRLHFANNIRIDKVNLMVDRQWLAVRNKKYKYCSGGTHGYDNEFKSMEAIFLAHGPGFKEKTEVTSFENIEVYNLMCDL LKLKPAPNNGTHGSLNHLLKNPFYNPSPAKEQSPPLYCLFGPVPSPDVSGCKCSSITDLEAVNQRLNLIDQAKMQSEADN LPYGRPHVLQHSKYCLLHQTKYISAYSQDILMPLWNSYTISKSLVKPTSAPPSASDCLRLDVRIPTVQSQTCSNYQPDLA ITPGFLYPPDFSSSGPEQYDALITSNIVPMYKEFARLWNYFHSTLLPKYATERNGLNVISGPIFDYNYDGHFDPYDTIDQ YVNNTKIPIPTHYFVVLTSCENSTKTPLNCPPGSLKVLSFILPHRPDNSESCADKSPDNLWVEERMQTHTARVRDVELLT GLDFYSALKQPLSETLRLKTFLPIFINSVN ; _entity_poly.pdbx_seq_one_letter_code_can ;LKQSKQPLESCRNRCNETFSEELSYCSCDNKCTERKACCWDYQDICVLPTQSWSCNKLRCGEKRMANVLCSCSEDCLTKK DCCTDYKSICKRETSWLKDQCASSSASQCPEGFDQSPLILFSMDGFRAEYLETWDTLMPNINKLKTCGTHAKYMRAVYPT KTFVNHYTIVTGLYAETHGIIDNNMYDVKLNQNFSLSGSNMRNAAWWGGQPIWHTASYQGLKAATYFWPGSEVKINGSYP TIYKVYNKSTPFEARVMEVLKWLDLPKAKRPDFSTLYIEEPDTTGHKFGPVSGQVIKSLQMADRTLGMLMEGLKQRNLHN CVNLILLADHGMEAISCNRLEYMTDYFNTVDFFMYEGAAPRIRSKNVPKDFYTFDSEAIVKKLTCRKPKQHFKAYLAKDL PKRLHFANNIRIDKVNLMVDRQWLAVRNKKYKYCSGGTHGYDNEFKSMEAIFLAHGPGFKEKTEVTSFENIEVYNLMCDL LKLKPAPNNGTHGSLNHLLKNPFYNPSPAKEQSPPLYCLFGPVPSPDVSGCKCSSITDLEAVNQRLNLIDQAKMQSEADN LPYGRPHVLQHSKYCLLHQTKYISAYSQDILMPLWNSYTISKSLVKPTSAPPSASDCLRLDVRIPTVQSQTCSNYQPDLA ITPGFLYPPDFSSSGPEQYDALITSNIVPMYKEFARLWNYFHSTLLPKYATERNGLNVISGPIFDYNYDGHFDPYDTIDQ YVNNTKIPIPTHYFVVLTSCENSTKTPLNCPPGSLKVLSFILPHRPDNSESCADKSPDNLWVEERMQTHTARVRDVELLT GLDFYSALKQPLSETLRLKTFLPIFINSVN ; _entity_poly.pdbx_strand_id A _entity_poly.pdbx_target_identifier ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 LEU n 1 2 LYS n 1 3 GLN n 1 4 SER n 1 5 LYS n 1 6 GLN n 1 7 PRO n 1 8 LEU n 1 9 GLU n 1 10 SER n 1 11 CYS n 1 12 ARG n 1 13 ASN n 1 14 ARG n 1 15 CYS n 1 16 ASN n 1 17 GLU n 1 18 THR n 1 19 PHE n 1 20 SER n 1 21 GLU n 1 22 GLU n 1 23 LEU n 1 24 SER n 1 25 TYR n 1 26 CYS n 1 27 SER n 1 28 CYS n 1 29 ASP n 1 30 ASN n 1 31 LYS n 1 32 CYS n 1 33 THR n 1 34 GLU n 1 35 ARG n 1 36 LYS n 1 37 ALA n 1 38 CYS n 1 39 CYS n 1 40 TRP n 1 41 ASP n 1 42 TYR n 1 43 GLN n 1 44 ASP n 1 45 ILE n 1 46 CYS n 1 47 VAL n 1 48 LEU n 1 49 PRO n 1 50 THR n 1 51 GLN n 1 52 SER n 1 53 TRP n 1 54 SER n 1 55 CYS n 1 56 ASN n 1 57 LYS n 1 58 LEU n 1 59 ARG n 1 60 CYS n 1 61 GLY n 1 62 GLU n 1 63 LYS n 1 64 ARG n 1 65 MET n 1 66 ALA n 1 67 ASN n 1 68 VAL n 1 69 LEU n 1 70 CYS n 1 71 SER n 1 72 CYS n 1 73 SER n 1 74 GLU n 1 75 ASP n 1 76 CYS n 1 77 LEU n 1 78 THR n 1 79 LYS n 1 80 LYS n 1 81 ASP n 1 82 CYS n 1 83 CYS n 1 84 THR n 1 85 ASP n 1 86 TYR n 1 87 LYS n 1 88 SER n 1 89 ILE n 1 90 CYS n 1 91 LYS n 1 92 ARG n 1 93 GLU n 1 94 THR n 1 95 SER n 1 96 TRP n 1 97 LEU n 1 98 LYS n 1 99 ASP n 1 100 GLN n 1 101 CYS n 1 102 ALA n 1 103 SER n 1 104 SER n 1 105 SER n 1 106 ALA n 1 107 SER n 1 108 GLN n 1 109 CYS n 1 110 PRO n 1 111 GLU n 1 112 GLY n 1 113 PHE n 1 114 ASP n 1 115 GLN n 1 116 SER n 1 117 PRO n 1 118 LEU n 1 119 ILE n 1 120 LEU n 1 121 PHE n 1 122 SER n 1 123 MET n 1 124 ASP n 1 125 GLY n 1 126 PHE n 1 127 ARG n 1 128 ALA n 1 129 GLU n 1 130 TYR n 1 131 LEU n 1 132 GLU n 1 133 THR n 1 134 TRP n 1 135 ASP n 1 136 THR n 1 137 LEU n 1 138 MET n 1 139 PRO n 1 140 ASN n 1 141 ILE n 1 142 ASN n 1 143 LYS n 1 144 LEU n 1 145 LYS n 1 146 THR n 1 147 CYS n 1 148 GLY n 1 149 THR n 1 150 HIS n 1 151 ALA n 1 152 LYS n 1 153 TYR n 1 154 MET n 1 155 ARG n 1 156 ALA n 1 157 VAL n 1 158 TYR n 1 159 PRO n 1 160 THR n 1 161 LYS n 1 162 THR n 1 163 PHE n 1 164 VAL n 1 165 ASN n 1 166 HIS n 1 167 TYR n 1 168 THR n 1 169 ILE n 1 170 VAL n 1 171 THR n 1 172 GLY n 1 173 LEU n 1 174 TYR n 1 175 ALA n 1 176 GLU n 1 177 THR n 1 178 HIS n 1 179 GLY n 1 180 ILE n 1 181 ILE n 1 182 ASP n 1 183 ASN n 1 184 ASN n 1 185 MET n 1 186 TYR n 1 187 ASP n 1 188 VAL n 1 189 LYS n 1 190 LEU n 1 191 ASN n 1 192 GLN n 1 193 ASN n 1 194 PHE n 1 195 SER n 1 196 LEU n 1 197 SER n 1 198 GLY n 1 199 SER n 1 200 ASN n 1 201 MET n 1 202 ARG n 1 203 ASN n 1 204 ALA n 1 205 ALA n 1 206 TRP n 1 207 TRP n 1 208 GLY n 1 209 GLY n 1 210 GLN n 1 211 PRO n 1 212 ILE n 1 213 TRP n 1 214 HIS n 1 215 THR n 1 216 ALA n 1 217 SER n 1 218 TYR n 1 219 GLN n 1 220 GLY n 1 221 LEU n 1 222 LYS n 1 223 ALA n 1 224 ALA n 1 225 THR n 1 226 TYR n 1 227 PHE n 1 228 TRP n 1 229 PRO n 1 230 GLY n 1 231 SER n 1 232 GLU n 1 233 VAL n 1 234 LYS n 1 235 ILE n 1 236 ASN n 1 237 GLY n 1 238 SER n 1 239 TYR n 1 240 PRO n 1 241 THR n 1 242 ILE n 1 243 TYR n 1 244 LYS n 1 245 VAL n 1 246 TYR n 1 247 ASN n 1 248 LYS n 1 249 SER n 1 250 THR n 1 251 PRO n 1 252 PHE n 1 253 GLU n 1 254 ALA n 1 255 ARG n 1 256 VAL n 1 257 MET n 1 258 GLU n 1 259 VAL n 1 260 LEU n 1 261 LYS n 1 262 TRP n 1 263 LEU n 1 264 ASP n 1 265 LEU n 1 266 PRO n 1 267 LYS n 1 268 ALA n 1 269 LYS n 1 270 ARG n 1 271 PRO n 1 272 ASP n 1 273 PHE n 1 274 SER n 1 275 THR n 1 276 LEU n 1 277 TYR n 1 278 ILE n 1 279 GLU n 1 280 GLU n 1 281 PRO n 1 282 ASP n 1 283 THR n 1 284 THR n 1 285 GLY n 1 286 HIS n 1 287 LYS n 1 288 PHE n 1 289 GLY n 1 290 PRO n 1 291 VAL n 1 292 SER n 1 293 GLY n 1 294 GLN n 1 295 VAL n 1 296 ILE n 1 297 LYS n 1 298 SER n 1 299 LEU n 1 300 GLN n 1 301 MET n 1 302 ALA n 1 303 ASP n 1 304 ARG n 1 305 THR n 1 306 LEU n 1 307 GLY n 1 308 MET n 1 309 LEU n 1 310 MET n 1 311 GLU n 1 312 GLY n 1 313 LEU n 1 314 LYS n 1 315 GLN n 1 316 ARG n 1 317 ASN n 1 318 LEU n 1 319 HIS n 1 320 ASN n 1 321 CYS n 1 322 VAL n 1 323 ASN n 1 324 LEU n 1 325 ILE n 1 326 LEU n 1 327 LEU n 1 328 ALA n 1 329 ASP n 1 330 HIS n 1 331 GLY n 1 332 MET n 1 333 GLU n 1 334 ALA n 1 335 ILE n 1 336 SER n 1 337 CYS n 1 338 ASN n 1 339 ARG n 1 340 LEU n 1 341 GLU n 1 342 TYR n 1 343 MET n 1 344 THR n 1 345 ASP n 1 346 TYR n 1 347 PHE n 1 348 ASN n 1 349 THR n 1 350 VAL n 1 351 ASP n 1 352 PHE n 1 353 PHE n 1 354 MET n 1 355 TYR n 1 356 GLU n 1 357 GLY n 1 358 ALA n 1 359 ALA n 1 360 PRO n 1 361 ARG n 1 362 ILE n 1 363 ARG n 1 364 SER n 1 365 LYS n 1 366 ASN n 1 367 VAL n 1 368 PRO n 1 369 LYS n 1 370 ASP n 1 371 PHE n 1 372 TYR n 1 373 THR n 1 374 PHE n 1 375 ASP n 1 376 SER n 1 377 GLU n 1 378 ALA n 1 379 ILE n 1 380 VAL n 1 381 LYS n 1 382 LYS n 1 383 LEU n 1 384 THR n 1 385 CYS n 1 386 ARG n 1 387 LYS n 1 388 PRO n 1 389 LYS n 1 390 GLN n 1 391 HIS n 1 392 PHE n 1 393 LYS n 1 394 ALA n 1 395 TYR n 1 396 LEU n 1 397 ALA n 1 398 LYS n 1 399 ASP n 1 400 LEU n 1 401 PRO n 1 402 LYS n 1 403 ARG n 1 404 LEU n 1 405 HIS n 1 406 PHE n 1 407 ALA n 1 408 ASN n 1 409 ASN n 1 410 ILE n 1 411 ARG n 1 412 ILE n 1 413 ASP n 1 414 LYS n 1 415 VAL n 1 416 ASN n 1 417 LEU n 1 418 MET n 1 419 VAL n 1 420 ASP n 1 421 ARG n 1 422 GLN n 1 423 TRP n 1 424 LEU n 1 425 ALA n 1 426 VAL n 1 427 ARG n 1 428 ASN n 1 429 LYS n 1 430 LYS n 1 431 TYR n 1 432 LYS n 1 433 TYR n 1 434 CYS n 1 435 SER n 1 436 GLY n 1 437 GLY n 1 438 THR n 1 439 HIS n 1 440 GLY n 1 441 TYR n 1 442 ASP n 1 443 ASN n 1 444 GLU n 1 445 PHE n 1 446 LYS n 1 447 SER n 1 448 MET n 1 449 GLU n 1 450 ALA n 1 451 ILE n 1 452 PHE n 1 453 LEU n 1 454 ALA n 1 455 HIS n 1 456 GLY n 1 457 PRO n 1 458 GLY n 1 459 PHE n 1 460 LYS n 1 461 GLU n 1 462 LYS n 1 463 THR n 1 464 GLU n 1 465 VAL n 1 466 THR n 1 467 SER n 1 468 PHE n 1 469 GLU n 1 470 ASN n 1 471 ILE n 1 472 GLU n 1 473 VAL n 1 474 TYR n 1 475 ASN n 1 476 LEU n 1 477 MET n 1 478 CYS n 1 479 ASP n 1 480 LEU n 1 481 LEU n 1 482 LYS n 1 483 LEU n 1 484 LYS n 1 485 PRO n 1 486 ALA n 1 487 PRO n 1 488 ASN n 1 489 ASN n 1 490 GLY n 1 491 THR n 1 492 HIS n 1 493 GLY n 1 494 SER n 1 495 LEU n 1 496 ASN n 1 497 HIS n 1 498 LEU n 1 499 LEU n 1 500 LYS n 1 501 ASN n 1 502 PRO n 1 503 PHE n 1 504 TYR n 1 505 ASN n 1 506 PRO n 1 507 SER n 1 508 PRO n 1 509 ALA n 1 510 LYS n 1 511 GLU n 1 512 GLN n 1 513 SER n 1 514 PRO n 1 515 PRO n 1 516 LEU n 1 517 TYR n 1 518 CYS n 1 519 LEU n 1 520 PHE n 1 521 GLY n 1 522 PRO n 1 523 VAL n 1 524 PRO n 1 525 SER n 1 526 PRO n 1 527 ASP n 1 528 VAL n 1 529 SER n 1 530 GLY n 1 531 CYS n 1 532 LYS n 1 533 CYS n 1 534 SER n 1 535 SER n 1 536 ILE n 1 537 THR n 1 538 ASP n 1 539 LEU n 1 540 GLU n 1 541 ALA n 1 542 VAL n 1 543 ASN n 1 544 GLN n 1 545 ARG n 1 546 LEU n 1 547 ASN n 1 548 LEU n 1 549 ILE n 1 550 ASP n 1 551 GLN n 1 552 ALA n 1 553 LYS n 1 554 MET n 1 555 GLN n 1 556 SER n 1 557 GLU n 1 558 ALA n 1 559 ASP n 1 560 ASN n 1 561 LEU n 1 562 PRO n 1 563 TYR n 1 564 GLY n 1 565 ARG n 1 566 PRO n 1 567 HIS n 1 568 VAL n 1 569 LEU n 1 570 GLN n 1 571 HIS n 1 572 SER n 1 573 LYS n 1 574 TYR n 1 575 CYS n 1 576 LEU n 1 577 LEU n 1 578 HIS n 1 579 GLN n 1 580 THR n 1 581 LYS n 1 582 TYR n 1 583 ILE n 1 584 SER n 1 585 ALA n 1 586 TYR n 1 587 SER n 1 588 GLN n 1 589 ASP n 1 590 ILE n 1 591 LEU n 1 592 MET n 1 593 PRO n 1 594 LEU n 1 595 TRP n 1 596 ASN n 1 597 SER n 1 598 TYR n 1 599 THR n 1 600 ILE n 1 601 SER n 1 602 LYS n 1 603 SER n 1 604 LEU n 1 605 VAL n 1 606 LYS n 1 607 PRO n 1 608 THR n 1 609 SER n 1 610 ALA n 1 611 PRO n 1 612 PRO n 1 613 SER n 1 614 ALA n 1 615 SER n 1 616 ASP n 1 617 CYS n 1 618 LEU n 1 619 ARG n 1 620 LEU n 1 621 ASP n 1 622 VAL n 1 623 ARG n 1 624 ILE n 1 625 PRO n 1 626 THR n 1 627 VAL n 1 628 GLN n 1 629 SER n 1 630 GLN n 1 631 THR n 1 632 CYS n 1 633 SER n 1 634 ASN n 1 635 TYR n 1 636 GLN n 1 637 PRO n 1 638 ASP n 1 639 LEU n 1 640 ALA n 1 641 ILE n 1 642 THR n 1 643 PRO n 1 644 GLY n 1 645 PHE n 1 646 LEU n 1 647 TYR n 1 648 PRO n 1 649 PRO n 1 650 ASP n 1 651 PHE n 1 652 SER n 1 653 SER n 1 654 SER n 1 655 GLY n 1 656 PRO n 1 657 GLU n 1 658 GLN n 1 659 TYR n 1 660 ASP n 1 661 ALA n 1 662 LEU n 1 663 ILE n 1 664 THR n 1 665 SER n 1 666 ASN n 1 667 ILE n 1 668 VAL n 1 669 PRO n 1 670 MET n 1 671 TYR n 1 672 LYS n 1 673 GLU n 1 674 PHE n 1 675 ALA n 1 676 ARG n 1 677 LEU n 1 678 TRP n 1 679 ASN n 1 680 TYR n 1 681 PHE n 1 682 HIS n 1 683 SER n 1 684 THR n 1 685 LEU n 1 686 LEU n 1 687 PRO n 1 688 LYS n 1 689 TYR n 1 690 ALA n 1 691 THR n 1 692 GLU n 1 693 ARG n 1 694 ASN n 1 695 GLY n 1 696 LEU n 1 697 ASN n 1 698 VAL n 1 699 ILE n 1 700 SER n 1 701 GLY n 1 702 PRO n 1 703 ILE n 1 704 PHE n 1 705 ASP n 1 706 TYR n 1 707 ASN n 1 708 TYR n 1 709 ASP n 1 710 GLY n 1 711 HIS n 1 712 PHE n 1 713 ASP n 1 714 PRO n 1 715 TYR n 1 716 ASP n 1 717 THR n 1 718 ILE n 1 719 ASP n 1 720 GLN n 1 721 TYR n 1 722 VAL n 1 723 ASN n 1 724 ASN n 1 725 THR n 1 726 LYS n 1 727 ILE n 1 728 PRO n 1 729 ILE n 1 730 PRO n 1 731 THR n 1 732 HIS n 1 733 TYR n 1 734 PHE n 1 735 VAL n 1 736 VAL n 1 737 LEU n 1 738 THR n 1 739 SER n 1 740 CYS n 1 741 GLU n 1 742 ASN n 1 743 SER n 1 744 THR n 1 745 LYS n 1 746 THR n 1 747 PRO n 1 748 LEU n 1 749 ASN n 1 750 CYS n 1 751 PRO n 1 752 PRO n 1 753 GLY n 1 754 SER n 1 755 LEU n 1 756 LYS n 1 757 VAL n 1 758 LEU n 1 759 SER n 1 760 PHE n 1 761 ILE n 1 762 LEU n 1 763 PRO n 1 764 HIS n 1 765 ARG n 1 766 PRO n 1 767 ASP n 1 768 ASN n 1 769 SER n 1 770 GLU n 1 771 SER n 1 772 CYS n 1 773 ALA n 1 774 ASP n 1 775 LYS n 1 776 SER n 1 777 PRO n 1 778 ASP n 1 779 ASN n 1 780 LEU n 1 781 TRP n 1 782 VAL n 1 783 GLU n 1 784 GLU n 1 785 ARG n 1 786 MET n 1 787 GLN n 1 788 THR n 1 789 HIS n 1 790 THR n 1 791 ALA n 1 792 ARG n 1 793 VAL n 1 794 ARG n 1 795 ASP n 1 796 VAL n 1 797 GLU n 1 798 LEU n 1 799 LEU n 1 800 THR n 1 801 GLY n 1 802 LEU n 1 803 ASP n 1 804 PHE n 1 805 TYR n 1 806 SER n 1 807 ALA n 1 808 LEU n 1 809 LYS n 1 810 GLN n 1 811 PRO n 1 812 LEU n 1 813 SER n 1 814 GLU n 1 815 THR n 1 816 LEU n 1 817 ARG n 1 818 LEU n 1 819 LYS n 1 820 THR n 1 821 PHE n 1 822 LEU n 1 823 PRO n 1 824 ILE n 1 825 PHE n 1 826 ILE n 1 827 ASN n 1 828 SER n 1 829 VAL n 1 830 ASN n # _entity_src_nat.entity_id 1 _entity_src_nat.pdbx_src_id 1 _entity_src_nat.pdbx_alt_source_flag sample _entity_src_nat.pdbx_beg_seq_num 1 _entity_src_nat.pdbx_end_seq_num 830 _entity_src_nat.common_name ? _entity_src_nat.pdbx_organism_scientific 'Naja atra' _entity_src_nat.pdbx_ncbi_taxonomy_id 8656 _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 PDB _struct_ref.db_code 5GZ5 _struct_ref.pdbx_db_accession 5GZ5 _struct_ref.pdbx_db_isoform ? _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ? _struct_ref.pdbx_align_begin 1 # _struct_ref_seq.align_id 1 _struct_ref_seq.ref_id 1 _struct_ref_seq.pdbx_PDB_id_code 5GZ5 _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 830 _struct_ref_seq.pdbx_seq_align_end_ins_code ? _struct_ref_seq.pdbx_db_accession 5GZ5 _struct_ref_seq.db_align_beg 24 _struct_ref_seq.pdbx_db_align_beg_ins_code ? _struct_ref_seq.db_align_end 853 _struct_ref_seq.pdbx_db_align_end_ins_code ? _struct_ref_seq.pdbx_auth_seq_align_beg 24 _struct_ref_seq.pdbx_auth_seq_align_end 853 # 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 AMP non-polymer . 'ADENOSINE MONOPHOSPHATE' ? 'C10 H14 N5 O7 P' 347.221 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 BMA D-saccharide . BETA-D-MANNOSE ? 'C6 H12 O6' 180.156 CA non-polymer . 'CALCIUM ION' ? 'Ca 2' 40.078 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 FUC saccharide . ALPHA-L-FUCOSE ? 'C6 H12 O5' 164.156 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MAN D-saccharide . ALPHA-D-MANNOSE ? 'C6 H12 O6' 180.156 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 ZN non-polymer . 'ZINC ION' ? 'Zn 2' 65.409 # _exptl.absorpt_coefficient_mu ? _exptl.absorpt_correction_T_max ? _exptl.absorpt_correction_T_min ? _exptl.absorpt_correction_type ? _exptl.absorpt_process_details ? _exptl.entry_id 5GZ5 _exptl.crystals_number 1 _exptl.details ? _exptl.method 'X-RAY DIFFRACTION' _exptl.method_details ? # _exptl_crystal.colour ? _exptl_crystal.density_diffrn ? _exptl_crystal.density_Matthews 2.63 _exptl_crystal.density_method ? _exptl_crystal.density_percent_sol 53.21 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.id 1 _exptl_crystal.preparation ? _exptl_crystal.size_max ? _exptl_crystal.size_mid ? _exptl_crystal.size_min ? _exptl_crystal.size_rad ? _exptl_crystal.colour_lustre ? _exptl_crystal.colour_modifier ? _exptl_crystal.colour_primary ? _exptl_crystal.density_meas ? _exptl_crystal.density_meas_esd ? _exptl_crystal.density_meas_gt ? _exptl_crystal.density_meas_lt ? _exptl_crystal.density_meas_temp ? _exptl_crystal.density_meas_temp_esd ? _exptl_crystal.density_meas_temp_gt ? _exptl_crystal.density_meas_temp_lt ? _exptl_crystal.pdbx_crystal_image_url ? _exptl_crystal.pdbx_crystal_image_format ? _exptl_crystal.pdbx_mosaicity ? _exptl_crystal.pdbx_mosaicity_esd ? # _exptl_crystal_grow.apparatus ? _exptl_crystal_grow.atmosphere ? _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.details ? _exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP' _exptl_crystal_grow.method_ref ? _exptl_crystal_grow.pH 6.5 _exptl_crystal_grow.pressure ? _exptl_crystal_grow.pressure_esd ? _exptl_crystal_grow.seeding ? _exptl_crystal_grow.seeding_ref ? _exptl_crystal_grow.temp 293 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.temp_esd ? _exptl_crystal_grow.time ? _exptl_crystal_grow.pdbx_details '0.1M Imidazole pH6.5, 0.2M Zinc acetate, 20% PEG 3000, 1mM AMP' _exptl_crystal_grow.pdbx_pH_range ? # _diffrn.ambient_environment ? _diffrn.ambient_temp 200 _diffrn.ambient_temp_details ? _diffrn.ambient_temp_esd ? _diffrn.crystal_id 1 _diffrn.crystal_support ? _diffrn.crystal_treatment ? _diffrn.details ? _diffrn.id 1 _diffrn.ambient_pressure ? _diffrn.ambient_pressure_esd ? _diffrn.ambient_pressure_gt ? _diffrn.ambient_pressure_lt ? _diffrn.ambient_temp_gt ? _diffrn.ambient_temp_lt ? # _diffrn_detector.details ? _diffrn_detector.detector CCD _diffrn_detector.diffrn_id 1 _diffrn_detector.type 'RAYONIX MX300HE' _diffrn_detector.area_resol_mean ? _diffrn_detector.dtime ? _diffrn_detector.pdbx_frames_total ? _diffrn_detector.pdbx_collection_time_total ? _diffrn_detector.pdbx_collection_date 2016-03-05 # _diffrn_radiation.collimation ? _diffrn_radiation.diffrn_id 1 _diffrn_radiation.filter_edge ? _diffrn_radiation.inhomogeneity ? _diffrn_radiation.monochromator ? _diffrn_radiation.polarisn_norm ? _diffrn_radiation.polarisn_ratio ? _diffrn_radiation.probe ? _diffrn_radiation.type ? _diffrn_radiation.xray_symbol ? _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.pdbx_wavelength_list ? _diffrn_radiation.pdbx_wavelength ? _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_analyzer ? _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 1.0 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.current ? _diffrn_source.details ? _diffrn_source.diffrn_id 1 _diffrn_source.power ? _diffrn_source.size ? _diffrn_source.source SYNCHROTRON _diffrn_source.target ? _diffrn_source.type 'NSRRC BEAMLINE BL15A1' _diffrn_source.voltage ? _diffrn_source.take-off_angle ? _diffrn_source.pdbx_wavelength_list 1.0 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_synchrotron_beamline BL15A1 _diffrn_source.pdbx_synchrotron_site NSRRC # _reflns.B_iso_Wilson_estimate ? _reflns.entry_id 5GZ5 _reflns.data_reduction_details ? _reflns.data_reduction_method ? _reflns.d_resolution_high 2.09 _reflns.d_resolution_low 30 _reflns.details ? _reflns.limit_h_max ? _reflns.limit_h_min ? _reflns.limit_k_max ? _reflns.limit_k_min ? _reflns.limit_l_max ? _reflns.limit_l_min ? _reflns.number_all ? _reflns.number_obs 59141 _reflns.observed_criterion ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.observed_criterion_I_max ? _reflns.observed_criterion_I_min ? _reflns.observed_criterion_sigma_F ? _reflns.observed_criterion_sigma_I ? _reflns.percent_possible_obs 99.1 _reflns.R_free_details ? _reflns.Rmerge_F_all ? _reflns.Rmerge_F_obs ? _reflns.Friedel_coverage ? _reflns.number_gt ? _reflns.threshold_expression ? _reflns.pdbx_redundancy 4.8 _reflns.pdbx_Rmerge_I_obs 0.059 _reflns.pdbx_Rmerge_I_all ? _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_av_sigmaI ? _reflns.pdbx_netI_over_sigmaI 22.5 _reflns.pdbx_res_netI_over_av_sigmaI_2 ? _reflns.pdbx_res_netI_over_sigmaI_2 ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_d_res_high_opt ? _reflns.pdbx_d_res_low_opt ? _reflns.pdbx_d_res_opt_method ? _reflns.phase_calculation_details ? _reflns.pdbx_Rrim_I_all ? _reflns.pdbx_Rpim_I_all ? _reflns.pdbx_d_opt ? _reflns.pdbx_number_measured_all ? _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 _reflns.pdbx_CC_half ? _reflns.pdbx_R_split ? # _reflns_shell.d_res_high 2.10 _reflns_shell.d_res_low 2.18 _reflns_shell.meanI_over_sigI_all ? _reflns_shell.meanI_over_sigI_obs ? _reflns_shell.number_measured_all ? _reflns_shell.number_measured_obs ? _reflns_shell.number_possible ? _reflns_shell.number_unique_all ? _reflns_shell.number_unique_obs ? _reflns_shell.percent_possible_all ? _reflns_shell.percent_possible_obs ? _reflns_shell.Rmerge_F_all ? _reflns_shell.Rmerge_F_obs ? _reflns_shell.Rmerge_I_all ? _reflns_shell.Rmerge_I_obs ? _reflns_shell.meanI_over_sigI_gt ? _reflns_shell.meanI_over_uI_all ? _reflns_shell.meanI_over_uI_gt ? _reflns_shell.number_measured_gt ? _reflns_shell.number_unique_gt ? _reflns_shell.percent_possible_gt ? _reflns_shell.Rmerge_F_gt ? _reflns_shell.Rmerge_I_gt ? _reflns_shell.pdbx_redundancy ? _reflns_shell.pdbx_Rsym_value ? _reflns_shell.pdbx_chi_squared ? _reflns_shell.pdbx_netI_over_sigmaI_all ? _reflns_shell.pdbx_netI_over_sigmaI_obs ? _reflns_shell.pdbx_Rrim_I_all ? _reflns_shell.pdbx_Rpim_I_all ? _reflns_shell.pdbx_rejects ? _reflns_shell.pdbx_ordinal 1 _reflns_shell.pdbx_diffrn_id 1 _reflns_shell.pdbx_CC_half ? _reflns_shell.pdbx_R_split ? # _refine.aniso_B[1][1] ? _refine.aniso_B[1][2] ? _refine.aniso_B[1][3] ? _refine.aniso_B[2][2] ? _refine.aniso_B[2][3] ? _refine.aniso_B[3][3] ? _refine.B_iso_max ? _refine.B_iso_mean ? _refine.B_iso_min ? _refine.correlation_coeff_Fo_to_Fc ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.details ? _refine.diff_density_max ? _refine.diff_density_max_esd ? _refine.diff_density_min ? _refine.diff_density_min_esd ? _refine.diff_density_rms ? _refine.diff_density_rms_esd ? _refine.entry_id 5GZ5 _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.ls_abs_structure_details ? _refine.ls_abs_structure_Flack ? _refine.ls_abs_structure_Flack_esd ? _refine.ls_abs_structure_Rogers ? _refine.ls_abs_structure_Rogers_esd ? _refine.ls_d_res_high 2.093 _refine.ls_d_res_low 27.876 _refine.ls_extinction_coef ? _refine.ls_extinction_coef_esd ? _refine.ls_extinction_expression ? _refine.ls_extinction_method ? _refine.ls_goodness_of_fit_all ? _refine.ls_goodness_of_fit_all_esd ? _refine.ls_goodness_of_fit_obs ? _refine.ls_goodness_of_fit_obs_esd ? _refine.ls_hydrogen_treatment ? _refine.ls_matrix_type ? _refine.ls_number_constraints ? _refine.ls_number_parameters ? _refine.ls_number_reflns_all ? _refine.ls_number_reflns_obs 58941 _refine.ls_number_reflns_R_free 2923 _refine.ls_number_reflns_R_work ? _refine.ls_number_restraints ? _refine.ls_percent_reflns_obs 98.72 _refine.ls_percent_reflns_R_free 4.96 _refine.ls_R_factor_all ? _refine.ls_R_factor_obs 0.1803 _refine.ls_R_factor_R_free 0.2187 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_R_factor_R_work 0.1783 _refine.ls_R_Fsqd_factor_obs ? _refine.ls_R_I_factor_obs ? _refine.ls_redundancy_reflns_all ? _refine.ls_redundancy_reflns_obs ? _refine.ls_restrained_S_all ? _refine.ls_restrained_S_obs ? _refine.ls_shift_over_esd_max ? _refine.ls_shift_over_esd_mean ? _refine.ls_structure_factor_coef ? _refine.ls_weighting_details ? _refine.ls_weighting_scheme ? _refine.ls_wR_factor_all ? _refine.ls_wR_factor_obs ? _refine.ls_wR_factor_R_free ? _refine.ls_wR_factor_R_work ? _refine.occupancy_max ? _refine.occupancy_min ? _refine.solvent_model_details ? _refine.solvent_model_param_bsol ? _refine.solvent_model_param_ksol ? _refine.ls_R_factor_gt ? _refine.ls_goodness_of_fit_gt ? _refine.ls_goodness_of_fit_ref ? _refine.ls_shift_over_su_max ? _refine.ls_shift_over_su_max_lt ? _refine.ls_shift_over_su_mean ? _refine.ls_shift_over_su_mean_lt ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F 1.37 _refine.pdbx_ls_sigma_Fsqd ? _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_ls_cross_valid_method 'FREE R-VALUE' _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_starting_model 5GZ4 _refine.pdbx_stereochemistry_target_values ? _refine.pdbx_R_Free_selection_details ? _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_overall_ESU_R ? _refine.pdbx_overall_ESU_R_Free ? _refine.pdbx_solvent_vdw_probe_radii 1.11 _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii 0.90 _refine.pdbx_real_space_R ? _refine.pdbx_density_correlation ? _refine.pdbx_pd_number_of_powder_patterns ? _refine.pdbx_pd_number_of_points ? _refine.pdbx_pd_meas_number_of_points ? _refine.pdbx_pd_proc_ls_prof_R_factor ? _refine.pdbx_pd_proc_ls_prof_wR_factor ? _refine.pdbx_pd_Marquardt_correlation_coeff ? _refine.pdbx_pd_Fsqrd_R_factor ? _refine.pdbx_pd_ls_matrix_band_width ? _refine.pdbx_overall_phase_error 20.18 _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_TLS_residual_ADP_flag ? _refine.pdbx_diffrn_id 1 _refine.overall_SU_B ? _refine.overall_SU_ML 0.22 _refine.overall_SU_R_Cruickshank_DPI ? _refine.overall_SU_R_free ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set ? _refine.pdbx_average_fsc_overall ? _refine.pdbx_average_fsc_work ? _refine.pdbx_average_fsc_free ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 6232 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 180 _refine_hist.number_atoms_solvent 807 _refine_hist.number_atoms_total 7219 _refine_hist.d_res_high 2.093 _refine_hist.d_res_low 27.876 # loop_ _refine_ls_restr.pdbx_refine_id _refine_ls_restr.criterion _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.number _refine_ls_restr.rejects _refine_ls_restr.type _refine_ls_restr.weight _refine_ls_restr.pdbx_restraint_function 'X-RAY DIFFRACTION' ? 0.013 ? 6605 ? f_bond_d ? ? 'X-RAY DIFFRACTION' ? 1.290 ? 9001 ? f_angle_d ? ? 'X-RAY DIFFRACTION' ? 17.229 ? 3994 ? f_dihedral_angle_d ? ? 'X-RAY DIFFRACTION' ? 0.064 ? 1004 ? f_chiral_restr ? ? 'X-RAY DIFFRACTION' ? 0.008 ? 1131 ? f_plane_restr ? ? # loop_ _refine_ls_shell.pdbx_refine_id _refine_ls_shell.d_res_high _refine_ls_shell.d_res_low _refine_ls_shell.number_reflns_all _refine_ls_shell.number_reflns_obs _refine_ls_shell.number_reflns_R_free _refine_ls_shell.number_reflns_R_work _refine_ls_shell.percent_reflns_obs _refine_ls_shell.percent_reflns_R_free _refine_ls_shell.R_factor_all _refine_ls_shell.R_factor_obs _refine_ls_shell.R_factor_R_free _refine_ls_shell.R_factor_R_free_error _refine_ls_shell.R_factor_R_work _refine_ls_shell.redundancy_reflns_all _refine_ls_shell.redundancy_reflns_obs _refine_ls_shell.wR_factor_all _refine_ls_shell.wR_factor_obs _refine_ls_shell.wR_factor_R_free _refine_ls_shell.wR_factor_R_work _refine_ls_shell.pdbx_total_number_of_bins_used _refine_ls_shell.pdbx_phase_error _refine_ls_shell.pdbx_fsc_work _refine_ls_shell.pdbx_fsc_free 'X-RAY DIFFRACTION' 2.0934 2.1277 . . 143 2413 91.00 . . . 0.2680 . 0.2215 . . . . . . . . . . 'X-RAY DIFFRACTION' 2.1277 2.1644 . . 155 2611 98.00 . . . 0.2745 . 0.2211 . . . . . . . . . . 'X-RAY DIFFRACTION' 2.1644 2.2037 . . 139 2625 99.00 . . . 0.2468 . 0.1989 . . . . . . . . . . 'X-RAY DIFFRACTION' 2.2037 2.2461 . . 143 2626 99.00 . . . 0.2301 . 0.1932 . . . . . . . . . . 'X-RAY DIFFRACTION' 2.2461 2.2919 . . 142 2637 99.00 . . . 0.2429 . 0.1991 . . . . . . . . . . 'X-RAY DIFFRACTION' 2.2919 2.3417 . . 145 2672 99.00 . . . 0.2524 . 0.1885 . . . . . . . . . . 'X-RAY DIFFRACTION' 2.3417 2.3962 . . 128 2640 99.00 . . . 0.2320 . 0.1916 . . . . . . . . . . 'X-RAY DIFFRACTION' 2.3962 2.4561 . . 110 2666 99.00 . . . 0.2464 . 0.1860 . . . . . . . . . . 'X-RAY DIFFRACTION' 2.4561 2.5224 . . 134 2673 99.00 . . . 0.2574 . 0.1856 . . . . . . . . . . 'X-RAY DIFFRACTION' 2.5224 2.5966 . . 149 2639 99.00 . . . 0.2613 . 0.1890 . . . . . . . . . . 'X-RAY DIFFRACTION' 2.5966 2.6804 . . 128 2701 100.00 . . . 0.2669 . 0.1834 . . . . . . . . . . 'X-RAY DIFFRACTION' 2.6804 2.7761 . . 120 2690 100.00 . . . 0.2363 . 0.1879 . . . . . . . . . . 'X-RAY DIFFRACTION' 2.7761 2.8871 . . 141 2651 100.00 . . . 0.2344 . 0.1819 . . . . . . . . . . 'X-RAY DIFFRACTION' 2.8871 3.0184 . . 157 2672 100.00 . . . 0.2470 . 0.1814 . . . . . . . . . . 'X-RAY DIFFRACTION' 3.0184 3.1773 . . 112 2728 100.00 . . . 0.1814 . 0.1710 . . . . . . . . . . 'X-RAY DIFFRACTION' 3.1773 3.3760 . . 137 2698 100.00 . . . 0.2081 . 0.1637 . . . . . . . . . . 'X-RAY DIFFRACTION' 3.3760 3.6362 . . 138 2720 99.00 . . . 0.1995 . 0.1603 . . . . . . . . . . 'X-RAY DIFFRACTION' 3.6362 4.0012 . . 136 2705 99.00 . . . 0.1662 . 0.1496 . . . . . . . . . . 'X-RAY DIFFRACTION' 4.0012 4.5779 . . 158 2725 100.00 . . . 0.1943 . 0.1426 . . . . . . . . . . 'X-RAY DIFFRACTION' 4.5779 5.7593 . . 155 2720 98.00 . . . 0.1894 . 0.1673 . . . . . . . . . . 'X-RAY DIFFRACTION' 5.7593 27.8789 . . 153 2806 96.00 . . . 0.2264 . 0.2239 . . . . . . . . . . # _struct.entry_id 5GZ5 _struct.title 'Crystal structure of snake venom phosphodiesterase (PDE) from Taiwan cobra (Naja atra atra) in complex with AMP' _struct.pdbx_descriptor 'Snake venom phosphodiesterase (PDE)' _struct.pdbx_model_details ? _struct.pdbx_formula_weight ? _struct.pdbx_formula_weight_method ? _struct.pdbx_model_type_details ? _struct.pdbx_CASP_flag N # _struct_keywords.entry_id 5GZ5 _struct_keywords.text 'phsophodiesterase, ENPP, Zinc, Calcium, N-glycan, AMP, HYDROLASE' _struct_keywords.pdbx_keywords HYDROLASE # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 2 ? D N N 2 ? E N N 2 ? F N N 2 ? G N N 3 ? H N N 4 ? I N N 5 ? J N N 2 ? K N N 2 ? L N N 2 ? M N N 5 ? N N N 6 ? O N N 6 ? P N N 7 ? Q N N 8 ? R N N 9 ? # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 AA1 TYR A 42 ? LEU A 48 ? TYR A 65 LEU A 71 1 ? 7 HELX_P HELX_P2 AA2 ASN A 56 ? CYS A 60 ? ASN A 79 CYS A 83 5 ? 5 HELX_P HELX_P3 AA3 ASP A 85 ? LYS A 91 ? ASP A 108 LYS A 114 1 ? 7 HELX_P HELX_P4 AA4 ARG A 127 ? ASP A 135 ? ARG A 150 ASP A 158 1 ? 9 HELX_P HELX_P5 AA5 MET A 138 ? GLY A 148 ? MET A 161 GLY A 171 1 ? 11 HELX_P HELX_P6 AA6 LYS A 161 ? GLY A 172 ? LYS A 184 GLY A 195 1 ? 12 HELX_P HELX_P7 AA7 TYR A 174 ? GLY A 179 ? TYR A 197 GLY A 202 1 ? 6 HELX_P HELX_P8 AA8 SER A 199 ? TRP A 207 ? SER A 222 TRP A 230 5 ? 9 HELX_P HELX_P9 AA9 PRO A 211 ? GLN A 219 ? PRO A 234 GLN A 242 1 ? 9 HELX_P HELX_P10 AB1 LYS A 234 ? SER A 238 ? LYS A 257 SER A 261 5 ? 5 HELX_P HELX_P11 AB2 PRO A 251 ? ASP A 264 ? PRO A 274 ASP A 287 1 ? 14 HELX_P HELX_P12 AB3 PRO A 281 ? GLY A 289 ? PRO A 304 GLY A 312 1 ? 9 HELX_P HELX_P13 AB4 SER A 292 ? ARG A 316 ? SER A 315 ARG A 339 1 ? 25 HELX_P HELX_P14 AB5 THR A 344 ? TYR A 346 ? THR A 367 TYR A 369 5 ? 3 HELX_P HELX_P15 AB6 ASP A 375 ? LEU A 383 ? ASP A 398 LEU A 406 1 ? 9 HELX_P HELX_P16 AB7 LYS A 398 ? LEU A 400 ? LYS A 421 LEU A 423 5 ? 3 HELX_P HELX_P17 AB8 PRO A 401 ? HIS A 405 ? PRO A 424 HIS A 428 5 ? 5 HELX_P HELX_P18 AB9 PHE A 445 ? GLU A 449 ? PHE A 468 GLU A 472 5 ? 5 HELX_P HELX_P19 AC1 GLU A 472 ? LEU A 481 ? GLU A 495 LEU A 504 1 ? 10 HELX_P HELX_P20 AC2 LEU A 495 ? LEU A 499 ? LEU A 518 LEU A 522 5 ? 5 HELX_P HELX_P21 AC3 ASP A 538 ? ARG A 545 ? ASP A 561 ARG A 568 1 ? 8 HELX_P HELX_P22 AC4 ILE A 549 ? LEU A 561 ? ILE A 572 LEU A 584 1 ? 13 HELX_P HELX_P23 AC5 PRO A 625 ? SER A 629 ? PRO A 648 SER A 652 5 ? 5 HELX_P HELX_P24 AC6 PRO A 648 ? SER A 652 ? PRO A 671 SER A 675 5 ? 5 HELX_P HELX_P25 AC7 GLY A 655 ? ASP A 660 ? GLY A 678 ASP A 683 1 ? 6 HELX_P HELX_P26 AC8 LYS A 672 ? THR A 684 ? LYS A 695 THR A 707 1 ? 13 HELX_P HELX_P27 AC9 THR A 684 ? ASN A 694 ? THR A 707 ASN A 717 1 ? 11 HELX_P HELX_P28 AD1 PRO A 714 ? ILE A 718 ? PRO A 737 ILE A 741 5 ? 5 HELX_P HELX_P29 AD2 PRO A 751 ? GLY A 753 ? PRO A 774 GLY A 776 5 ? 3 HELX_P HELX_P30 AD3 ASN A 768 ? CYS A 772 ? ASN A 791 CYS A 795 5 ? 5 HELX_P HELX_P31 AD4 TRP A 781 ? THR A 788 ? TRP A 804 THR A 811 1 ? 8 HELX_P HELX_P32 AD5 ARG A 792 ? GLY A 801 ? ARG A 815 GLY A 824 1 ? 10 HELX_P HELX_P33 AD6 PRO A 811 ? PHE A 821 ? PRO A 834 PHE A 844 1 ? 11 # _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 55 SG ? ? ? 1_555 A CYS 72 SG ? ? A CYS 78 A CYS 95 1_555 ? ? ? ? ? ? ? 2.000 ? disulf2 disulf ? ? A CYS 60 SG ? ? ? 1_555 A CYS 90 SG ? ? A CYS 83 A CYS 113 1_555 ? ? ? ? ? ? ? 1.998 ? disulf3 disulf ? ? A CYS 70 SG ? ? ? 1_555 A CYS 83 SG ? ? A CYS 93 A CYS 106 1_555 ? ? ? ? ? ? ? 2.024 ? disulf4 disulf ? ? A CYS 76 SG ? ? ? 1_555 A CYS 82 SG ? ? A CYS 99 A CYS 105 1_555 ? ? ? ? ? ? ? 2.039 ? disulf5 disulf ? ? A CYS 101 SG ? ? ? 1_555 A CYS 147 SG ? ? A CYS 124 A CYS 170 1_555 ? ? ? ? ? ? ? 2.003 ? disulf6 disulf ? ? A CYS 109 SG ? ? ? 1_555 A CYS 321 SG ? ? A CYS 132 A CYS 344 1_555 ? ? ? ? ? ? ? 2.001 ? disulf7 disulf ? ? A CYS 337 SG ? ? ? 1_555 A CYS 434 SG ? ? A CYS 360 A CYS 457 1_555 ? ? ? ? ? ? ? 2.055 ? disulf8 disulf ? ? A CYS 385 SG ? ? ? 1_555 A CYS 772 SG ? ? A CYS 408 A CYS 795 1_555 ? ? ? ? ? ? ? 2.040 ? disulf9 disulf ? ? A CYS 518 SG ? ? ? 1_555 A CYS 575 SG ? ? A CYS 541 A CYS 598 1_555 ? ? ? ? ? ? ? 2.029 ? disulf10 disulf ? ? A CYS 531 SG ? ? ? 1_555 A CYS 632 SG ? ? A CYS 554 A CYS 655 1_555 ? ? ? ? ? ? ? 2.048 ? disulf11 disulf ? ? A CYS 533 SG ? ? ? 1_555 A CYS 617 SG ? ? A CYS 556 A CYS 640 1_555 ? ? ? ? ? ? ? 2.044 ? disulf12 disulf ? ? A CYS 740 SG ? ? ? 1_555 A CYS 750 SG ? ? A CYS 763 A CYS 773 1_555 ? ? ? ? ? ? ? 2.069 ? metalc1 metalc ? ? A ASP 124 OD1 ? ? ? 1_555 O ZN . ZN ? ? A ASP 147 A ZN 1014 1_555 ? ? ? ? ? ? ? 2.005 ? metalc2 metalc ? ? A ASP 124 OD2 ? ? ? 1_555 O ZN . ZN ? ? A ASP 147 A ZN 1014 1_555 ? ? ? ? ? ? ? 2.691 ? metalc3 metalc ? ? A THR 162 OG1 ? ? ? 1_555 O ZN . ZN ? ? A THR 185 A ZN 1014 1_555 ? ? ? ? ? ? ? 1.797 ? covale1 covale one ? A ASN 193 ND2 ? ? ? 1_555 B NAG . C1 ? ? A ASN 216 A NAG 1001 1_555 ? ? ? ? ? ? ? 1.449 ? covale2 covale one ? A ASN 236 ND2 ? ? ? 1_555 C NAG . C1 ? ? A ASN 259 A NAG 1002 1_555 ? ? ? ? ? ? ? 1.431 ? covale3 covale one ? A ASN 247 ND2 ? ? ? 1_555 D NAG . C1 ? ? A ASN 270 A NAG 1003 1_555 ? ? ? ? ? ? ? 1.427 ? metalc4 metalc ? ? A ASP 282 OD1 ? ? ? 1_555 N ZN . ZN ? ? A ASP 305 A ZN 1013 1_555 ? ? ? ? ? ? ? 2.003 ? metalc5 metalc ? ? A ASP 282 OD2 ? ? ? 1_555 N ZN . ZN ? ? A ASP 305 A ZN 1013 1_555 ? ? ? ? ? ? ? 2.560 ? metalc6 metalc ? ? A HIS 286 NE2 ? ? ? 1_555 N ZN . ZN ? ? A HIS 309 A ZN 1013 1_555 ? ? ? ? ? ? ? 1.964 ? metalc7 metalc ? ? A ASP 329 OD2 ? ? ? 1_555 O ZN . ZN ? ? A ASP 352 A ZN 1014 1_555 ? ? ? ? ? ? ? 1.913 ? metalc8 metalc ? ? A HIS 330 NE2 ? ? ? 1_555 O ZN . ZN ? ? A HIS 353 A ZN 1014 1_555 ? ? ? ? ? ? ? 1.993 ? metalc9 metalc ? ? A HIS 439 NE2 ? ? ? 1_555 N ZN . ZN ? ? A HIS 462 A ZN 1013 1_555 ? ? ? ? ? ? ? 2.038 ? covale4 covale one ? A ASN 489 ND2 ? ? ? 1_555 E NAG . C1 ? ? A ASN 512 A NAG 1004 1_555 ? ? ? ? ? ? ? 1.437 ? metalc10 metalc ? ? A ASP 705 OD1 ? ? ? 1_555 P CA . CA ? ? A ASP 728 A CA 1015 1_555 ? ? ? ? ? ? ? 1.915 ? metalc11 metalc ? ? A ASN 707 OD1 ? ? ? 1_555 P CA . CA ? ? A ASN 730 A CA 1015 1_555 ? ? ? ? ? ? ? 2.274 ? metalc12 metalc ? ? A ASP 709 OD1 ? ? ? 1_555 P CA . CA ? ? A ASP 732 A CA 1015 1_555 ? ? ? ? ? ? ? 2.102 ? metalc13 metalc ? ? A HIS 711 O ? ? ? 1_555 P CA . CA ? ? A HIS 734 A CA 1015 1_555 ? ? ? ? ? ? ? 2.249 ? metalc14 metalc ? ? A ASP 713 OD1 ? ? ? 1_555 P CA . CA ? ? A ASP 736 A CA 1015 1_555 ? ? ? ? ? ? ? 2.066 ? metalc15 metalc ? ? A ASP 713 OD2 ? ? ? 1_555 P CA . CA ? ? A ASP 736 A CA 1015 1_555 ? ? ? ? ? ? ? 2.476 ? covale5 covale one ? A ASN 723 ND2 ? ? ? 1_555 J NAG . C1 ? ? A ASN 746 A NAG 1009 1_555 ? ? ? ? ? ? ? 1.430 ? covale6 covale one ? A ASN 742 ND2 ? ? ? 1_555 L NAG . C1 ? ? A ASN 765 A NAG 1011 1_555 ? ? ? ? ? ? ? 1.440 ? covale7 covale both ? E NAG . O4 ? ? ? 1_555 F NAG . C1 ? ? A NAG 1004 A NAG 1005 1_555 ? ? ? ? ? ? ? 1.431 ? covale8 covale both ? F NAG . O4 ? ? ? 1_555 G BMA . C1 ? ? A NAG 1005 A BMA 1006 1_555 ? ? ? ? ? ? ? 1.427 ? covale9 covale one ? G BMA . O3 ? ? ? 1_555 H MAN . C1 ? ? A BMA 1006 A MAN 1007 1_555 ? ? ? ? ? ? ? 1.457 ? covale10 covale one ? I FUC . C1 ? ? ? 1_555 J NAG . O6 ? ? A FUC 1008 A NAG 1009 1_555 ? ? ? ? ? ? ? 1.424 ? covale11 covale both ? J NAG . O4 ? ? ? 1_555 K NAG . C1 ? ? A NAG 1009 A NAG 1010 1_555 ? ? ? ? ? ? ? 1.455 ? covale12 covale one ? L NAG . O6 ? ? ? 1_555 M FUC . C1 ? ? A NAG 1011 A FUC 1012 1_555 ? ? ? ? ? ? ? 1.407 ? metalc16 metalc ? ? N ZN . ZN ? ? ? 1_555 Q AMP . O1P ? ? A ZN 1013 A AMP 1016 1_555 ? ? ? ? ? ? ? 1.911 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? metalc ? ? covale ? ? # loop_ _struct_mon_prot_cis.pdbx_id _struct_mon_prot_cis.label_comp_id _struct_mon_prot_cis.label_seq_id _struct_mon_prot_cis.label_asym_id _struct_mon_prot_cis.label_alt_id _struct_mon_prot_cis.pdbx_PDB_ins_code _struct_mon_prot_cis.auth_comp_id _struct_mon_prot_cis.auth_seq_id _struct_mon_prot_cis.auth_asym_id _struct_mon_prot_cis.pdbx_label_comp_id_2 _struct_mon_prot_cis.pdbx_label_seq_id_2 _struct_mon_prot_cis.pdbx_label_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_ins_code_2 _struct_mon_prot_cis.pdbx_auth_comp_id_2 _struct_mon_prot_cis.pdbx_auth_seq_id_2 _struct_mon_prot_cis.pdbx_auth_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_model_num _struct_mon_prot_cis.pdbx_omega_angle 1 ALA 66 A . ? ALA 89 A ASN 67 A ? ASN 90 A 1 -10.87 2 CYS 72 A . ? CYS 95 A SER 73 A ? SER 96 A 1 -26.21 3 GLU 74 A . ? GLU 97 A ASP 75 A ? ASP 98 A 1 13.96 4 TYR 158 A . ? TYR 181 A PRO 159 A ? PRO 182 A 1 -3.89 5 GLU 280 A . ? GLU 303 A PRO 281 A ? PRO 304 A 1 10.27 6 VAL 367 A . ? VAL 390 A PRO 368 A ? PRO 391 A 1 1.96 7 SER 525 A . ? SER 548 A PRO 526 A ? PRO 549 A 1 -4.63 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details AA1 ? 8 ? AA2 ? 2 ? AA3 ? 2 ? AA4 ? 2 ? AA5 ? 2 ? AA6 ? 4 ? AA7 ? 2 ? AA8 ? 7 ? AA9 ? 2 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense AA1 1 2 ? parallel AA1 2 3 ? parallel AA1 3 4 ? parallel AA1 4 5 ? parallel AA1 5 6 ? anti-parallel AA1 6 7 ? anti-parallel AA1 7 8 ? parallel AA2 1 2 ? parallel AA3 1 2 ? anti-parallel AA4 1 2 ? anti-parallel AA5 1 2 ? parallel AA6 1 2 ? anti-parallel AA6 2 3 ? anti-parallel AA6 3 4 ? anti-parallel AA7 1 2 ? anti-parallel AA8 1 2 ? anti-parallel AA8 2 3 ? anti-parallel AA8 3 4 ? anti-parallel AA8 4 5 ? anti-parallel AA8 5 6 ? anti-parallel AA8 6 7 ? anti-parallel AA9 1 2 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id AA1 1 ILE A 242 ? TYR A 243 ? ILE A 265 TYR A 266 AA1 2 ALA A 223 ? TYR A 226 ? ALA A 246 TYR A 249 AA1 3 PHE A 273 ? ILE A 278 ? PHE A 296 ILE A 301 AA1 4 LEU A 118 ? MET A 123 ? LEU A 141 MET A 146 AA1 5 ASN A 323 ? LEU A 327 ? ASN A 346 LEU A 350 AA1 6 PHE A 452 ? HIS A 455 ? PHE A 475 HIS A 478 AA1 7 THR A 149 ? ALA A 151 ? THR A 172 ALA A 174 AA1 8 THR A 463 ? VAL A 465 ? THR A 486 VAL A 488 AA2 1 MET A 154 ? ARG A 155 ? MET A 177 ARG A 178 AA2 2 PHE A 468 ? GLU A 469 ? PHE A 491 GLU A 492 AA3 1 MET A 185 ? ASP A 187 ? MET A 208 ASP A 210 AA3 2 GLN A 192 ? PHE A 194 ? GLN A 215 PHE A 217 AA4 1 GLU A 333 ? ILE A 335 ? GLU A 356 ILE A 358 AA4 2 GLY A 436 ? THR A 438 ? GLY A 459 THR A 461 AA5 1 LEU A 340 ? TYR A 342 ? LEU A 363 TYR A 365 AA5 2 LEU A 424 ? VAL A 426 ? LEU A 447 VAL A 449 AA6 1 PHE A 352 ? TYR A 355 ? PHE A 375 TYR A 378 AA6 2 ARG A 361 ? SER A 364 ? ARG A 384 SER A 387 AA6 3 VAL A 415 ? VAL A 419 ? VAL A 438 VAL A 442 AA6 4 PHE A 392 ? LEU A 396 ? PHE A 415 LEU A 419 AA7 1 HIS A 567 ? VAL A 568 ? HIS A 590 VAL A 591 AA7 2 LEU A 802 ? ASP A 803 ? LEU A 825 ASP A 826 AA8 1 TYR A 574 ? HIS A 578 ? TYR A 597 HIS A 601 AA8 2 ILE A 583 ? SER A 587 ? ILE A 606 SER A 610 AA8 3 MET A 592 ? ILE A 600 ? MET A 615 ILE A 623 AA8 4 LEU A 696 ? ILE A 703 ? LEU A 719 ILE A 726 AA8 5 HIS A 732 ? CYS A 740 ? HIS A 755 CYS A 763 AA8 6 LEU A 755 ? PRO A 763 ? LEU A 778 PRO A 786 AA8 7 THR A 790 ? ALA A 791 ? THR A 813 ALA A 814 AA9 1 ILE A 641 ? PHE A 645 ? ILE A 664 PHE A 668 AA9 2 ILE A 667 ? TYR A 671 ? ILE A 690 TYR A 694 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id AA1 1 2 O ILE A 242 ? O ILE A 265 N ALA A 223 ? N ALA A 246 AA1 2 3 N ALA A 224 ? N ALA A 247 O PHE A 273 ? O PHE A 296 AA1 3 4 O SER A 274 ? O SER A 297 N LEU A 120 ? N LEU A 143 AA1 4 5 N PHE A 121 ? N PHE A 144 O ILE A 325 ? O ILE A 348 AA1 5 6 N LEU A 326 ? N LEU A 349 O LEU A 453 ? O LEU A 476 AA1 6 7 O ALA A 454 ? O ALA A 477 N THR A 149 ? N THR A 172 AA1 7 8 N HIS A 150 ? N HIS A 173 O VAL A 465 ? O VAL A 488 AA2 1 2 N ARG A 155 ? N ARG A 178 O PHE A 468 ? O PHE A 491 AA3 1 2 N MET A 185 ? N MET A 208 O PHE A 194 ? O PHE A 217 AA4 1 2 N ILE A 335 ? N ILE A 358 O GLY A 436 ? O GLY A 459 AA5 1 2 N GLU A 341 ? N GLU A 364 O VAL A 426 ? O VAL A 449 AA6 1 2 N PHE A 353 ? N PHE A 376 O ARG A 363 ? O ARG A 386 AA6 2 3 N ILE A 362 ? N ILE A 385 O VAL A 415 ? O VAL A 438 AA6 3 4 O MET A 418 ? O MET A 441 N LYS A 393 ? N LYS A 416 AA7 1 2 N HIS A 567 ? N HIS A 590 O ASP A 803 ? O ASP A 826 AA8 1 2 N LEU A 577 ? N LEU A 600 O SER A 584 ? O SER A 607 AA8 2 3 N ILE A 583 ? N ILE A 606 O SER A 597 ? O SER A 620 AA8 3 4 N TYR A 598 ? N TYR A 621 O VAL A 698 ? O VAL A 721 AA8 4 5 N ILE A 699 ? N ILE A 722 O VAL A 736 ? O VAL A 759 AA8 5 6 N SER A 739 ? N SER A 762 O LYS A 756 ? O LYS A 779 AA8 6 7 N SER A 759 ? N SER A 782 O ALA A 791 ? O ALA A 814 AA9 1 2 N GLY A 644 ? N GLY A 667 O VAL A 668 ? O VAL A 691 # loop_ _struct_site.id _struct_site.pdbx_evidence_code _struct_site.pdbx_auth_asym_id _struct_site.pdbx_auth_comp_id _struct_site.pdbx_auth_seq_id _struct_site.pdbx_auth_ins_code _struct_site.pdbx_num_residues _struct_site.details AC1 Software A ZN 1013 ? 4 'binding site for residue ZN A 1013' AC2 Software A ZN 1014 ? 5 'binding site for residue ZN A 1014' AC3 Software A CA 1015 ? 5 'binding site for residue CA A 1015' AC4 Software A AMP 1016 ? 19 'binding site for residue AMP A 1016' AC5 Software A NAG 1001 ? 9 'binding site for Mono-Saccharide NAG A 1001 bound to ASN A 216' AC6 Software A NAG 1002 ? 4 'binding site for Mono-Saccharide NAG A 1002 bound to ASN A 259' AC7 Software A NAG 1003 ? 2 'binding site for Mono-Saccharide NAG A 1003 bound to ASN A 270' AC8 Software A ASN 512 ? 14 'binding site for Poly-Saccharide residues NAG A 1004 through MAN A 1007 bound to ASN A 512' AC9 Software A ASN 746 ? 6 'binding site for Poly-Saccharide residues FUC A 1008 through NAG A 1010 bound to ASN A 746' AD1 Software A ASN 765 ? 6 'binding site for Poly-Saccharide residues NAG A 1011 through FUC A 1012 bound to ASN A 765' # 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 4 ASP A 282 ? ASP A 305 . ? 1_555 ? 2 AC1 4 HIS A 286 ? HIS A 309 . ? 1_555 ? 3 AC1 4 HIS A 439 ? HIS A 462 . ? 1_555 ? 4 AC1 4 AMP Q . ? AMP A 1016 . ? 1_555 ? 5 AC2 5 ASP A 124 ? ASP A 147 . ? 1_555 ? 6 AC2 5 THR A 162 ? THR A 185 . ? 1_555 ? 7 AC2 5 ASP A 329 ? ASP A 352 . ? 1_555 ? 8 AC2 5 HIS A 330 ? HIS A 353 . ? 1_555 ? 9 AC2 5 AMP Q . ? AMP A 1016 . ? 1_555 ? 10 AC3 5 ASP A 705 ? ASP A 728 . ? 1_555 ? 11 AC3 5 ASN A 707 ? ASN A 730 . ? 1_555 ? 12 AC3 5 ASP A 709 ? ASP A 732 . ? 1_555 ? 13 AC3 5 HIS A 711 ? HIS A 734 . ? 1_555 ? 14 AC3 5 ASP A 713 ? ASP A 736 . ? 1_555 ? 15 AC4 19 THR A 162 ? THR A 185 . ? 1_555 ? 16 AC4 19 PHE A 163 ? PHE A 186 . ? 1_555 ? 17 AC4 19 ASN A 183 ? ASN A 206 . ? 1_555 ? 18 AC4 19 TRP A 228 ? TRP A 251 . ? 1_555 ? 19 AC4 19 PRO A 229 ? PRO A 252 . ? 1_555 ? 20 AC4 19 TYR A 246 ? TYR A 269 . ? 1_555 ? 21 AC4 19 LYS A 248 ? LYS A 271 . ? 1_555 ? 22 AC4 19 TYR A 277 ? TYR A 300 . ? 1_555 ? 23 AC4 19 ASP A 282 ? ASP A 305 . ? 1_555 ? 24 AC4 19 HIS A 286 ? HIS A 309 . ? 1_555 ? 25 AC4 19 HIS A 439 ? HIS A 462 . ? 1_555 ? 26 AC4 19 ZN N . ? ZN A 1013 . ? 1_555 ? 27 AC4 19 ZN O . ? ZN A 1014 . ? 1_555 ? 28 AC4 19 HOH R . ? HOH A 1102 . ? 1_555 ? 29 AC4 19 HOH R . ? HOH A 1103 . ? 1_555 ? 30 AC4 19 HOH R . ? HOH A 1111 . ? 1_555 ? 31 AC4 19 HOH R . ? HOH A 1119 . ? 1_555 ? 32 AC4 19 HOH R . ? HOH A 1194 . ? 1_555 ? 33 AC4 19 HOH R . ? HOH A 1232 . ? 1_555 ? 34 AC5 9 ASN A 191 ? ASN A 214 . ? 1_555 ? 35 AC5 9 ASN A 193 ? ASN A 216 . ? 1_555 ? 36 AC5 9 PHE A 353 ? PHE A 376 . ? 1_555 ? 37 AC5 9 ARG A 363 ? ARG A 386 . ? 1_555 ? 38 AC5 9 HOH R . ? HOH A 1114 . ? 1_555 ? 39 AC5 9 HOH R . ? HOH A 1243 . ? 1_555 ? 40 AC5 9 HOH R . ? HOH A 1248 . ? 1_555 ? 41 AC5 9 HOH R . ? HOH A 1265 . ? 1_555 ? 42 AC5 9 HOH R . ? HOH A 1416 . ? 1_555 ? 43 AC6 4 GLN A 210 ? GLN A 233 . ? 1_555 ? 44 AC6 4 TYR A 218 ? TYR A 241 . ? 1_555 ? 45 AC6 4 ASN A 236 ? ASN A 259 . ? 1_555 ? 46 AC6 4 HOH R . ? HOH A 1504 . ? 1_555 ? 47 AC7 2 ASN A 247 ? ASN A 270 . ? 1_555 ? 48 AC7 2 SER A 249 ? SER A 272 . ? 1_555 ? 49 AC8 14 THR A 177 ? THR A 200 . ? 1_555 ? 50 AC8 14 HIS A 405 ? HIS A 428 . ? 1_555 ? 51 AC8 14 PRO A 487 ? PRO A 510 . ? 1_555 ? 52 AC8 14 ASN A 488 ? ASN A 511 . ? 1_555 ? 53 AC8 14 ASN A 489 ? ASN A 512 . ? 1_555 ? 54 AC8 14 ASP A 709 ? ASP A 732 . ? 1_555 ? 55 AC8 14 HIS A 711 ? HIS A 734 . ? 1_555 ? 56 AC8 14 LEU A 798 ? LEU A 821 . ? 1_555 ? 57 AC8 14 HOH R . ? HOH A 1209 . ? 1_555 ? 58 AC8 14 HOH R . ? HOH A 1229 . ? 1_555 ? 59 AC8 14 HOH R . ? HOH A 1266 . ? 1_555 ? 60 AC8 14 HOH R . ? HOH A 1428 . ? 1_555 ? 61 AC8 14 HOH R . ? HOH A 1498 . ? 1_555 ? 62 AC8 14 HOH R . ? HOH A 1517 . ? 1_555 ? 63 AC9 6 LEU A 516 ? LEU A 539 . ? 3_445 ? 64 AC9 6 TYR A 517 ? TYR A 540 . ? 3_445 ? 65 AC9 6 LEU A 639 ? LEU A 662 . ? 1_555 ? 66 AC9 6 ALA A 640 ? ALA A 663 . ? 1_555 ? 67 AC9 6 ASN A 723 ? ASN A 746 . ? 1_555 ? 68 AC9 6 HOH R . ? HOH A 1172 . ? 1_555 ? 69 AD1 6 ARG A 427 ? ARG A 450 . ? 1_565 ? 70 AD1 6 LYS A 430 ? LYS A 453 . ? 1_565 ? 71 AD1 6 ASN A 742 ? ASN A 765 . ? 1_555 ? 72 AD1 6 THR A 744 ? THR A 767 . ? 1_555 ? 73 AD1 6 HOH R . ? HOH A 1218 . ? 1_555 ? 74 AD1 6 HOH R . ? HOH A 1545 . ? 1_555 ? # _atom_sites.entry_id 5GZ5 _atom_sites.fract_transf_matrix[1][1] 0.005841 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.000000 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.015241 _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] 0.011277 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _atom_type.symbol C CA N O P S ZN # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . TYR A 1 42 ? -0.281 -7.945 -80.807 1.00 123.97 ? 65 TYR A N 1 ATOM 2 C CA . TYR A 1 42 ? -0.758 -7.473 -79.508 1.00 119.54 ? 65 TYR A CA 1 ATOM 3 C C . TYR A 1 42 ? -2.084 -8.103 -79.118 1.00 114.84 ? 65 TYR A C 1 ATOM 4 O O . TYR A 1 42 ? -3.063 -7.399 -78.853 1.00 110.09 ? 65 TYR A O 1 ATOM 5 C CB . TYR A 1 42 ? -0.889 -5.941 -79.474 1.00 117.76 ? 65 TYR A CB 1 ATOM 6 C CG . TYR A 1 42 ? -1.716 -5.256 -80.563 1.00 118.10 ? 65 TYR A CG 1 ATOM 7 C CD1 . TYR A 1 42 ? -1.266 -5.109 -81.868 1.00 121.73 ? 65 TYR A CD1 1 ATOM 8 C CD2 . TYR A 1 42 ? -2.938 -4.709 -80.252 1.00 115.52 ? 65 TYR A CD2 1 ATOM 9 C CE1 . TYR A 1 42 ? -2.035 -4.458 -82.827 1.00 123.44 ? 65 TYR A CE1 1 ATOM 10 C CE2 . TYR A 1 42 ? -3.711 -4.059 -81.193 1.00 117.32 ? 65 TYR A CE2 1 ATOM 11 C CZ . TYR A 1 42 ? -3.258 -3.933 -82.478 1.00 120.83 ? 65 TYR A CZ 1 ATOM 12 O OH . TYR A 1 42 ? -4.038 -3.281 -83.405 1.00 123.91 ? 65 TYR A OH 1 ATOM 13 N N . GLN A 1 43 ? -2.116 -9.437 -79.074 1.00 113.15 ? 66 GLN A N 1 ATOM 14 C CA . GLN A 1 43 ? -3.331 -10.085 -78.611 1.00 112.99 ? 66 GLN A CA 1 ATOM 15 C C . GLN A 1 43 ? -3.545 -9.570 -77.202 1.00 111.71 ? 66 GLN A C 1 ATOM 16 O O . GLN A 1 43 ? -4.612 -9.030 -76.912 1.00 109.43 ? 66 GLN A O 1 ATOM 17 C CB . GLN A 1 43 ? -3.270 -11.604 -78.784 1.00 115.09 ? 66 GLN A CB 1 ATOM 18 C CG . GLN A 1 43 ? -4.655 -12.190 -79.077 1.00 115.30 ? 66 GLN A CG 1 ATOM 19 C CD . GLN A 1 43 ? -4.746 -13.691 -78.903 1.00 116.33 ? 66 GLN A CD 1 ATOM 20 O OE1 . GLN A 1 43 ? -3.896 -14.313 -78.266 1.00 117.74 ? 66 GLN A OE1 1 ATOM 21 N NE2 . GLN A 1 43 ? -5.789 -14.285 -79.475 1.00 116.12 ? 66 GLN A NE2 1 ATOM 22 N N . ASP A 1 44 ? -2.549 -9.699 -76.317 1.00 112.41 ? 67 ASP A N 1 ATOM 23 C CA . ASP A 1 44 ? -2.837 -9.400 -74.919 1.00 108.83 ? 67 ASP A CA 1 ATOM 24 C C . ASP A 1 44 ? -3.712 -8.202 -74.601 1.00 103.30 ? 67 ASP A C 1 ATOM 25 O O . ASP A 1 44 ? -4.660 -8.324 -73.819 1.00 106.44 ? 67 ASP A O 1 ATOM 26 C CB . ASP A 1 44 ? -1.562 -9.354 -74.084 1.00 111.59 ? 67 ASP A CB 1 ATOM 27 C CG . ASP A 1 44 ? -1.824 -9.756 -72.626 1.00 111.74 ? 67 ASP A CG 1 ATOM 28 O OD1 . ASP A 1 44 ? -2.979 -9.645 -72.163 1.00 107.77 ? 67 ASP A OD1 1 ATOM 29 O OD2 . ASP A 1 44 ? -0.887 -10.207 -71.940 1.00 114.19 ? 67 ASP A OD2 1 ATOM 30 N N . ILE A 1 45 ? -3.439 -7.040 -75.190 1.00 108.36 ? 68 ILE A N 1 ATOM 31 C CA . ILE A 1 45 ? -4.267 -5.916 -74.802 1.00 100.75 ? 68 ILE A CA 1 ATOM 32 C C . ILE A 1 45 ? -5.638 -5.994 -75.486 1.00 100.42 ? 68 ILE A C 1 ATOM 33 O O . ILE A 1 45 ? -6.570 -5.291 -75.073 1.00 98.32 ? 68 ILE A O 1 ATOM 34 C CB . ILE A 1 45 ? -3.462 -4.613 -75.011 1.00 102.83 ? 68 ILE A CB 1 ATOM 35 C CG1 . ILE A 1 45 ? -4.291 -3.369 -74.702 1.00 100.03 ? 68 ILE A CG1 1 ATOM 36 C CG2 . ILE A 1 45 ? -2.794 -4.571 -76.368 1.00 108.43 ? 68 ILE A CG2 1 ATOM 37 C CD1 . ILE A 1 45 ? -3.482 -2.191 -74.248 1.00 96.95 ? 68 ILE A CD1 1 ATOM 38 N N . CYS A 1 46 ? -5.832 -6.913 -76.450 1.00 100.35 ? 69 CYS A N 1 ATOM 39 C CA . CYS A 1 46 ? -7.182 -7.321 -76.845 1.00 102.77 ? 69 CYS A CA 1 ATOM 40 C C . CYS A 1 46 ? -7.440 -8.810 -76.626 1.00 107.96 ? 69 CYS A C 1 ATOM 41 O O . CYS A 1 46 ? -8.311 -9.391 -77.287 1.00 103.93 ? 69 CYS A O 1 ATOM 42 C CB . CYS A 1 46 ? -7.498 -6.947 -78.288 1.00 105.12 ? 69 CYS A CB 1 ATOM 43 S SG . CYS A 1 46 ? -9.290 -6.677 -78.488 1.00 104.32 ? 69 CYS A SG 1 ATOM 44 N N . VAL A 1 47 ? -6.676 -9.446 -75.729 1.00 105.00 ? 70 VAL A N 1 ATOM 45 C CA . VAL A 1 47 ? -7.198 -10.571 -74.940 1.00 107.38 ? 70 VAL A CA 1 ATOM 46 C C . VAL A 1 47 ? -7.652 -10.104 -73.570 1.00 102.88 ? 70 VAL A C 1 ATOM 47 O O . VAL A 1 47 ? -8.208 -10.894 -72.772 1.00 99.96 ? 70 VAL A O 1 ATOM 48 C CB . VAL A 1 47 ? -6.157 -11.704 -74.792 1.00 109.10 ? 70 VAL A CB 1 ATOM 49 C CG1 . VAL A 1 47 ? -5.127 -11.429 -73.744 1.00 106.88 ? 70 VAL A CG1 1 ATOM 50 C CG2 . VAL A 1 47 ? -6.825 -13.054 -74.485 1.00 108.94 ? 70 VAL A CG2 1 ATOM 51 N N . LEU A 1 48 ? -7.414 -8.843 -73.267 1.00 102.51 ? 71 LEU A N 1 ATOM 52 C CA . LEU A 1 48 ? -7.856 -8.274 -71.992 1.00 97.97 ? 71 LEU A CA 1 ATOM 53 C C . LEU A 1 48 ? -9.349 -8.275 -71.762 1.00 96.23 ? 71 LEU A C 1 ATOM 54 O O . LEU A 1 48 ? -9.788 -8.947 -70.816 1.00 99.39 ? 71 LEU A O 1 ATOM 55 C CB . LEU A 1 48 ? -7.256 -6.884 -71.776 1.00 96.24 ? 71 LEU A CB 1 ATOM 56 C CG . LEU A 1 48 ? -6.095 -6.575 -70.888 1.00 94.99 ? 71 LEU A CG 1 ATOM 57 C CD1 . LEU A 1 48 ? -5.016 -7.643 -70.859 1.00 94.55 ? 71 LEU A CD1 1 ATOM 58 C CD2 . LEU A 1 48 ? -5.474 -5.218 -71.155 1.00 96.29 ? 71 LEU A CD2 1 ATOM 59 N N . PRO A 1 49 ? -10.131 -7.703 -72.664 1.00 93.74 ? 72 PRO A N 1 ATOM 60 C CA . PRO A 1 49 ? -11.589 -7.769 -72.530 1.00 90.14 ? 72 PRO A CA 1 ATOM 61 C C . PRO A 1 49 ? -12.117 -9.110 -71.965 1.00 88.50 ? 72 PRO A C 1 ATOM 62 O O . PRO A 1 49 ? -12.965 -9.040 -71.075 1.00 91.02 ? 72 PRO A O 1 ATOM 63 C CB . PRO A 1 49 ? -12.075 -7.580 -73.968 1.00 96.43 ? 72 PRO A CB 1 ATOM 64 C CG . PRO A 1 49 ? -11.005 -6.771 -74.617 1.00 99.12 ? 72 PRO A CG 1 ATOM 65 C CD . PRO A 1 49 ? -9.715 -7.225 -73.994 1.00 97.29 ? 72 PRO A CD 1 ATOM 66 N N . THR A 1 50 ? -11.669 -10.283 -72.437 1.00 89.18 ? 73 THR A N 1 ATOM 67 C CA . THR A 1 50 ? -12.203 -11.492 -71.892 1.00 91.01 ? 73 THR A CA 1 ATOM 68 C C . THR A 1 50 ? -11.878 -11.671 -70.409 1.00 94.85 ? 73 THR A C 1 ATOM 69 O O . THR A 1 50 ? -12.500 -12.532 -69.745 1.00 93.82 ? 73 THR A O 1 ATOM 70 C CB . THR A 1 50 ? -11.754 -12.774 -72.640 1.00 95.54 ? 73 THR A CB 1 ATOM 71 O OG1 . THR A 1 50 ? -12.659 -13.823 -72.343 1.00 94.06 ? 73 THR A OG1 1 ATOM 72 C CG2 . THR A 1 50 ? -10.369 -13.224 -72.239 1.00 96.84 ? 73 THR A CG2 1 ATOM 73 N N . GLN A 1 51 ? -10.972 -10.866 -69.847 1.00 91.37 ? 74 GLN A N 1 ATOM 74 C CA . GLN A 1 51 ? -10.657 -10.947 -68.429 1.00 90.28 ? 74 GLN A CA 1 ATOM 75 C C . GLN A 1 51 ? -10.592 -9.605 -67.697 1.00 87.66 ? 74 GLN A C 1 ATOM 76 O O . GLN A 1 51 ? -10.355 -9.606 -66.482 1.00 82.13 ? 74 GLN A O 1 ATOM 77 C CB . GLN A 1 51 ? -9.335 -11.717 -68.207 1.00 94.74 ? 74 GLN A CB 1 ATOM 78 C CG . GLN A 1 51 ? -8.140 -11.273 -69.070 1.00 102.35 ? 74 GLN A CG 1 ATOM 79 C CD . GLN A 1 51 ? -6.901 -12.147 -68.856 1.00 107.91 ? 74 GLN A CD 1 ATOM 80 O OE1 . GLN A 1 51 ? -7.008 -13.296 -68.422 1.00 110.31 ? 74 GLN A OE1 1 ATOM 81 N NE2 . GLN A 1 51 ? -5.722 -11.603 -69.160 1.00 108.59 ? 74 GLN A NE2 1 ATOM 82 N N . SER A 1 52 ? -10.814 -8.474 -68.373 1.00 86.84 ? 75 SER A N 1 ATOM 83 C CA . SER A 1 52 ? -10.721 -7.161 -67.736 1.00 80.62 ? 75 SER A CA 1 ATOM 84 C C . SER A 1 52 ? -11.973 -6.328 -67.978 1.00 73.40 ? 75 SER A C 1 ATOM 85 O O . SER A 1 52 ? -12.656 -6.479 -68.990 1.00 81.31 ? 75 SER A O 1 ATOM 86 C CB . SER A 1 52 ? -9.514 -6.357 -68.235 1.00 83.29 ? 75 SER A CB 1 ATOM 87 O OG . SER A 1 52 ? -9.667 -4.989 -67.877 1.00 80.61 ? 75 SER A OG 1 ATOM 88 N N . TRP A 1 53 ? -12.230 -5.394 -67.055 1.00 72.49 ? 76 TRP A N 1 ATOM 89 C CA . TRP A 1 53 ? -13.431 -4.562 -67.070 1.00 57.33 ? 76 TRP A CA 1 ATOM 90 C C . TRP A 1 53 ? -13.150 -3.111 -67.457 1.00 64.36 ? 76 TRP A C 1 ATOM 91 O O . TRP A 1 53 ? -13.938 -2.225 -67.113 1.00 59.47 ? 76 TRP A O 1 ATOM 92 C CB . TRP A 1 53 ? -14.133 -4.606 -65.706 1.00 56.13 ? 76 TRP A CB 1 ATOM 93 C CG . TRP A 1 53 ? -15.258 -5.592 -65.656 1.00 57.72 ? 76 TRP A CG 1 ATOM 94 C CD1 . TRP A 1 53 ? -16.548 -5.404 -66.104 1.00 59.45 ? 76 TRP A CD1 1 ATOM 95 C CD2 . TRP A 1 53 ? -15.203 -6.930 -65.150 1.00 58.39 ? 76 TRP A CD2 1 ATOM 96 N NE1 . TRP A 1 53 ? -17.295 -6.548 -65.902 1.00 59.64 ? 76 TRP A NE1 1 ATOM 97 C CE2 . TRP A 1 53 ? -16.492 -7.498 -65.321 1.00 64.24 ? 76 TRP A CE2 1 ATOM 98 C CE3 . TRP A 1 53 ? -14.193 -7.707 -64.567 1.00 56.49 ? 76 TRP A CE3 1 ATOM 99 C CZ2 . TRP A 1 53 ? -16.786 -8.805 -64.933 1.00 62.80 ? 76 TRP A CZ2 1 ATOM 100 C CZ3 . TRP A 1 53 ? -14.486 -9.003 -64.187 1.00 53.99 ? 76 TRP A CZ3 1 ATOM 101 C CH2 . TRP A 1 53 ? -15.769 -9.540 -64.375 1.00 60.51 ? 76 TRP A CH2 1 ATOM 102 N N . SER A 1 54 ? -12.060 -2.849 -68.182 1.00 69.39 ? 77 SER A N 1 ATOM 103 C CA . SER A 1 54 ? -11.627 -1.487 -68.482 1.00 77.87 ? 77 SER A CA 1 ATOM 104 C C . SER A 1 54 ? -11.331 -1.332 -69.974 1.00 76.22 ? 77 SER A C 1 ATOM 105 O O . SER A 1 54 ? -10.898 -2.277 -70.639 1.00 79.80 ? 77 SER A O 1 ATOM 106 C CB . SER A 1 54 ? -10.396 -1.120 -67.642 1.00 80.02 ? 77 SER A CB 1 ATOM 107 O OG . SER A 1 54 ? -10.747 -0.341 -66.510 1.00 83.24 ? 77 SER A OG 1 ATOM 108 N N . CYS A 1 55 ? -11.524 -0.109 -70.480 1.00 75.80 ? 78 CYS A N 1 ATOM 109 C CA . CYS A 1 55 ? -11.698 0.168 -71.915 1.00 79.03 ? 78 CYS A CA 1 ATOM 110 C C . CYS A 1 55 ? -10.390 0.457 -72.650 1.00 85.79 ? 78 CYS A C 1 ATOM 111 O O . CYS A 1 55 ? -10.323 1.437 -73.386 1.00 89.45 ? 78 CYS A O 1 ATOM 112 C CB . CYS A 1 55 ? -12.625 1.364 -72.104 1.00 80.27 ? 78 CYS A CB 1 ATOM 113 S SG . CYS A 1 55 ? -14.181 1.038 -72.753 1.00 78.68 ? 78 CYS A SG 1 ATOM 114 N N . ASN A 1 56 ? -9.391 -0.424 -72.516 1.00 84.62 ? 79 ASN A N 1 ATOM 115 C CA . ASN A 1 56 ? -8.000 -0.063 -72.812 1.00 88.29 ? 79 ASN A CA 1 ATOM 116 C C . ASN A 1 56 ? -7.829 0.724 -74.116 1.00 90.53 ? 79 ASN A C 1 ATOM 117 O O . ASN A 1 56 ? -8.621 0.633 -75.058 1.00 87.41 ? 79 ASN A O 1 ATOM 118 C CB . ASN A 1 56 ? -7.106 -1.318 -72.804 1.00 91.13 ? 79 ASN A CB 1 ATOM 119 C CG . ASN A 1 56 ? -7.191 -2.170 -74.088 1.00 101.26 ? 79 ASN A CG 1 ATOM 120 O OD1 . ASN A 1 56 ? -7.233 -1.675 -75.224 1.00 105.49 ? 79 ASN A OD1 1 ATOM 121 N ND2 . ASN A 1 56 ? -7.226 -3.484 -73.889 1.00 102.14 ? 79 ASN A ND2 1 ATOM 122 N N . LYS A 1 57 ? -6.727 1.469 -74.158 1.00 92.50 ? 80 LYS A N 1 ATOM 123 C CA . LYS A 1 57 ? -6.469 2.464 -75.191 1.00 98.68 ? 80 LYS A CA 1 ATOM 124 C C . LYS A 1 57 ? -6.635 1.914 -76.602 1.00 97.00 ? 80 LYS A C 1 ATOM 125 O O . LYS A 1 57 ? -7.134 2.612 -77.494 1.00 98.81 ? 80 LYS A O 1 ATOM 126 C CB . LYS A 1 57 ? -5.057 3.012 -74.995 1.00 104.90 ? 80 LYS A CB 1 ATOM 127 C CG . LYS A 1 57 ? -4.568 2.969 -73.577 1.00 103.68 ? 80 LYS A CG 1 ATOM 128 C CD . LYS A 1 57 ? -3.049 2.829 -73.411 1.00 107.17 ? 80 LYS A CD 1 ATOM 129 C CE . LYS A 1 57 ? -2.570 1.503 -73.732 1.00 107.43 ? 80 LYS A CE 1 ATOM 130 N NZ . LYS A 1 57 ? -1.242 1.193 -73.181 1.00 107.29 ? 80 LYS A NZ 1 ATOM 131 N N . LEU A 1 58 ? -6.213 0.673 -76.834 1.00 99.23 ? 81 LEU A N 1 ATOM 132 C CA . LEU A 1 58 ? -6.226 0.165 -78.199 1.00 95.97 ? 81 LEU A CA 1 ATOM 133 C C . LEU A 1 58 ? -7.626 -0.230 -78.643 1.00 95.98 ? 81 LEU A C 1 ATOM 134 O O . LEU A 1 58 ? -7.936 -0.158 -79.836 1.00 94.59 ? 81 LEU A O 1 ATOM 135 C CB . LEU A 1 58 ? -5.279 -1.021 -78.318 1.00 98.17 ? 81 LEU A CB 1 ATOM 136 C CG . LEU A 1 58 ? -3.883 -0.661 -78.821 1.00 103.28 ? 81 LEU A CG 1 ATOM 137 C CD1 . LEU A 1 58 ? -3.419 0.708 -78.347 1.00 103.66 ? 81 LEU A CD1 1 ATOM 138 C CD2 . LEU A 1 58 ? -2.944 -1.701 -78.332 1.00 101.97 ? 81 LEU A CD2 1 ATOM 139 N N . ARG A 1 59 ? -8.489 -0.628 -77.710 1.00 92.64 ? 82 ARG A N 1 ATOM 140 C CA . ARG A 1 59 ? -9.796 -1.162 -78.067 1.00 91.82 ? 82 ARG A CA 1 ATOM 141 C C . ARG A 1 59 ? -10.873 -0.091 -78.206 1.00 88.73 ? 82 ARG A C 1 ATOM 142 O O . ARG A 1 59 ? -12.055 -0.427 -78.285 1.00 89.03 ? 82 ARG A O 1 ATOM 143 C CB . ARG A 1 59 ? -10.241 -2.213 -77.046 1.00 90.29 ? 82 ARG A CB 1 ATOM 144 C CG . ARG A 1 59 ? -10.304 -1.739 -75.605 1.00 86.27 ? 82 ARG A CG 1 ATOM 145 C CD . ARG A 1 59 ? -10.793 -2.837 -74.678 1.00 86.28 ? 82 ARG A CD 1 ATOM 146 N NE . ARG A 1 59 ? -12.157 -2.559 -74.251 1.00 88.50 ? 82 ARG A NE 1 ATOM 147 C CZ . ARG A 1 59 ? -13.004 -3.492 -73.829 1.00 87.49 ? 82 ARG A CZ 1 ATOM 148 N NH1 . ARG A 1 59 ? -14.188 -3.150 -73.439 1.00 88.28 ? 82 ARG A NH1 1 ATOM 149 N NH2 . ARG A 1 59 ? -12.691 -4.754 -73.780 1.00 84.30 ? 82 ARG A NH2 1 ATOM 150 N N . CYS A 1 60 ? -10.511 1.183 -78.248 1.00 87.89 ? 83 CYS A N 1 ATOM 151 C CA . CYS A 1 60 ? -11.538 2.195 -78.457 1.00 88.28 ? 83 CYS A CA 1 ATOM 152 C C . CYS A 1 60 ? -12.049 2.124 -79.894 1.00 92.25 ? 83 CYS A C 1 ATOM 153 O O . CYS A 1 60 ? -11.376 2.586 -80.822 1.00 95.86 ? 83 CYS A O 1 ATOM 154 C CB . CYS A 1 60 ? -10.970 3.571 -78.125 1.00 88.50 ? 83 CYS A CB 1 ATOM 155 S SG . CYS A 1 60 ? -10.429 3.617 -76.429 1.00 90.57 ? 83 CYS A SG 1 ATOM 156 N N . GLY A 1 61 ? -13.213 1.517 -80.099 1.00 91.81 ? 84 GLY A N 1 ATOM 157 C CA . GLY A 1 61 ? -13.775 1.302 -81.412 1.00 95.46 ? 84 GLY A CA 1 ATOM 158 C C . GLY A 1 61 ? -13.880 -0.153 -81.798 1.00 95.92 ? 84 GLY A C 1 ATOM 159 O O . GLY A 1 61 ? -14.451 -0.457 -82.850 1.00 98.83 ? 84 GLY A O 1 ATOM 160 N N . GLU A 1 62 ? -13.406 -1.055 -80.941 1.00 93.14 ? 85 GLU A N 1 ATOM 161 C CA . GLU A 1 62 ? -13.124 -2.445 -81.271 1.00 93.90 ? 85 GLU A CA 1 ATOM 162 C C . GLU A 1 62 ? -14.354 -3.158 -81.831 1.00 94.72 ? 85 GLU A C 1 ATOM 163 O O . GLU A 1 62 ? -15.476 -2.637 -81.848 1.00 94.30 ? 85 GLU A O 1 ATOM 164 C CB . GLU A 1 62 ? -12.623 -3.179 -80.027 1.00 90.21 ? 85 GLU A CB 1 ATOM 165 C CG . GLU A 1 62 ? -13.488 -2.894 -78.816 1.00 87.08 ? 85 GLU A CG 1 ATOM 166 C CD . GLU A 1 62 ? -13.251 -3.846 -77.658 1.00 85.57 ? 85 GLU A CD 1 ATOM 167 O OE1 . GLU A 1 62 ? -12.338 -4.692 -77.747 1.00 90.10 ? 85 GLU A OE1 1 ATOM 168 O OE2 . GLU A 1 62 ? -13.967 -3.725 -76.651 1.00 81.95 ? 85 GLU A OE2 1 ATOM 169 N N . LYS A 1 63 ? -14.126 -4.390 -82.275 1.00 96.01 ? 86 LYS A N 1 ATOM 170 C CA . LYS A 1 63 ? -15.179 -5.204 -82.863 1.00 97.16 ? 86 LYS A CA 1 ATOM 171 C C . LYS A 1 63 ? -15.731 -6.191 -81.840 1.00 93.53 ? 86 LYS A C 1 ATOM 172 O O . LYS A 1 63 ? -14.972 -6.965 -81.236 1.00 92.05 ? 86 LYS A O 1 ATOM 173 C CB . LYS A 1 63 ? -14.664 -5.934 -84.098 1.00 101.37 ? 86 LYS A CB 1 ATOM 174 C CG . LYS A 1 63 ? -15.229 -5.385 -85.385 1.00 105.37 ? 86 LYS A CG 1 ATOM 175 C CD . LYS A 1 63 ? -16.735 -5.188 -85.262 1.00 104.22 ? 86 LYS A CD 1 ATOM 176 C CE . LYS A 1 63 ? -17.217 -4.328 -86.394 1.00 108.00 ? 86 LYS A CE 1 ATOM 177 N NZ . LYS A 1 63 ? -18.696 -4.188 -86.429 1.00 107.59 ? 86 LYS A NZ 1 ATOM 178 N N . ARG A 1 64 ? -17.055 -6.163 -81.661 1.00 92.61 ? 87 ARG A N 1 ATOM 179 C CA . ARG A 1 64 ? -17.736 -7.012 -80.691 1.00 89.02 ? 87 ARG A CA 1 ATOM 180 C C . ARG A 1 64 ? -17.523 -8.489 -80.989 1.00 90.08 ? 87 ARG A C 1 ATOM 181 O O . ARG A 1 64 ? -17.783 -8.949 -82.107 1.00 93.47 ? 87 ARG A O 1 ATOM 182 C CB . ARG A 1 64 ? -19.226 -6.708 -80.706 1.00 88.53 ? 87 ARG A CB 1 ATOM 183 C CG . ARG A 1 64 ? -19.591 -5.333 -80.237 1.00 87.11 ? 87 ARG A CG 1 ATOM 184 C CD . ARG A 1 64 ? -21.065 -5.307 -79.961 1.00 85.93 ? 87 ARG A CD 1 ATOM 185 N NE . ARG A 1 64 ? -21.506 -4.060 -79.362 1.00 84.28 ? 87 ARG A NE 1 ATOM 186 C CZ . ARG A 1 64 ? -21.575 -3.859 -78.053 1.00 80.45 ? 87 ARG A CZ 1 ATOM 187 N NH1 . ARG A 1 64 ? -21.209 -4.823 -77.220 1.00 77.93 ? 87 ARG A NH1 1 ATOM 188 N NH2 . ARG A 1 64 ? -21.999 -2.698 -77.586 1.00 79.35 ? 87 ARG A NH2 1 ATOM 189 N N . MET A 1 65 ? -17.079 -9.238 -79.974 1.00 91.13 ? 88 MET A N 1 ATOM 190 C CA . MET A 1 65 ? -16.867 -10.674 -80.105 1.00 98.06 ? 88 MET A CA 1 ATOM 191 C C . MET A 1 65 ? -17.431 -11.391 -78.882 1.00 97.07 ? 88 MET A C 1 ATOM 192 O O . MET A 1 65 ? -17.842 -10.761 -77.898 1.00 90.95 ? 88 MET A O 1 ATOM 193 C CB . MET A 1 65 ? -15.381 -11.008 -80.278 1.00 102.49 ? 88 MET A CB 1 ATOM 194 C CG . MET A 1 65 ? -15.120 -12.469 -80.646 1.00 107.78 ? 88 MET A CG 1 ATOM 195 S SD . MET A 1 65 ? -13.393 -12.925 -80.790 1.00 114.46 ? 88 MET A SD 1 ATOM 196 C CE . MET A 1 65 ? -13.370 -14.435 -79.820 1.00 110.40 ? 88 MET A CE 1 ATOM 197 N N . ALA A 1 66 ? -17.428 -12.728 -78.959 1.00 98.73 ? 89 ALA A N 1 ATOM 198 C CA . ALA A 1 66 ? -17.861 -13.619 -77.888 1.00 97.35 ? 89 ALA A CA 1 ATOM 199 C C . ALA A 1 66 ? -16.770 -14.308 -77.052 1.00 97.82 ? 89 ALA A C 1 ATOM 200 O O . ALA A 1 66 ? -16.066 -15.199 -77.524 1.00 102.87 ? 89 ALA A O 1 ATOM 201 C CB . ALA A 1 66 ? -18.791 -14.675 -78.461 1.00 99.19 ? 89 ALA A CB 1 ATOM 202 N N . ASN A 1 67 ? -16.655 -13.865 -75.798 1.00 92.26 ? 90 ASN A N 1 ATOM 203 C CA . ASN A 1 67 ? -17.368 -12.635 -75.382 1.00 91.27 ? 90 ASN A CA 1 ATOM 204 C C . ASN A 1 67 ? -16.698 -11.838 -74.276 1.00 85.24 ? 90 ASN A C 1 ATOM 205 O O . ASN A 1 67 ? -16.181 -12.342 -73.274 1.00 87.31 ? 90 ASN A O 1 ATOM 206 C CB . ASN A 1 67 ? -18.828 -12.894 -74.947 1.00 93.95 ? 90 ASN A CB 1 ATOM 207 C CG . ASN A 1 67 ? -19.849 -11.958 -75.677 1.00 100.92 ? 90 ASN A CG 1 ATOM 208 O OD1 . ASN A 1 67 ? -19.891 -11.882 -76.906 1.00 107.03 ? 90 ASN A OD1 1 ATOM 209 N ND2 . ASN A 1 67 ? -20.650 -11.243 -74.906 1.00 98.70 ? 90 ASN A ND2 1 ATOM 210 N N . VAL A 1 68 ? -16.817 -10.552 -74.501 1.00 91.48 ? 91 VAL A N 1 ATOM 211 C CA . VAL A 1 68 ? -16.224 -9.521 -73.674 1.00 79.79 ? 91 VAL A CA 1 ATOM 212 C C . VAL A 1 68 ? -17.129 -9.270 -72.470 1.00 79.60 ? 91 VAL A C 1 ATOM 213 O O . VAL A 1 68 ? -18.352 -9.154 -72.612 1.00 76.36 ? 91 VAL A O 1 ATOM 214 C CB . VAL A 1 68 ? -16.008 -8.250 -74.514 1.00 78.29 ? 91 VAL A CB 1 ATOM 215 C CG1 . VAL A 1 68 ? -17.320 -7.536 -74.805 1.00 77.62 ? 91 VAL A CG1 1 ATOM 216 C CG2 . VAL A 1 68 ? -15.081 -7.364 -73.846 1.00 77.40 ? 91 VAL A CG2 1 ATOM 217 N N . LEU A 1 69 ? -16.555 -9.242 -71.267 1.00 74.39 ? 92 LEU A N 1 ATOM 218 C CA . LEU A 1 69 ? -17.417 -8.980 -70.116 1.00 75.51 ? 92 LEU A CA 1 ATOM 219 C C . LEU A 1 69 ? -17.970 -7.565 -70.176 1.00 70.11 ? 92 LEU A C 1 ATOM 220 O O . LEU A 1 69 ? -19.141 -7.329 -69.862 1.00 73.40 ? 92 LEU A O 1 ATOM 221 C CB . LEU A 1 69 ? -16.683 -9.208 -68.793 1.00 69.88 ? 92 LEU A CB 1 ATOM 222 C CG . LEU A 1 69 ? -15.346 -8.569 -68.459 1.00 72.13 ? 92 LEU A CG 1 ATOM 223 C CD1 . LEU A 1 69 ? -15.618 -7.397 -67.605 1.00 74.48 ? 92 LEU A CD1 1 ATOM 224 C CD2 . LEU A 1 69 ? -14.473 -9.538 -67.702 1.00 73.76 ? 92 LEU A CD2 1 ATOM 225 N N . CYS A 1 70 ? -17.152 -6.634 -70.632 1.00 69.92 ? 93 CYS A N 1 ATOM 226 C CA . CYS A 1 70 ? -17.442 -5.218 -70.616 1.00 66.24 ? 93 CYS A CA 1 ATOM 227 C C . CYS A 1 70 ? -16.977 -4.673 -71.959 1.00 75.36 ? 93 CYS A C 1 ATOM 228 O O . CYS A 1 70 ? -15.976 -5.139 -72.498 1.00 79.89 ? 93 CYS A O 1 ATOM 229 C CB . CYS A 1 70 ? -16.711 -4.594 -69.425 1.00 67.51 ? 93 CYS A CB 1 ATOM 230 S SG . CYS A 1 70 ? -16.748 -2.869 -69.392 1.00 70.18 ? 93 CYS A SG 1 ATOM 231 N N . SER A 1 71 ? -17.676 -3.701 -72.531 1.00 69.28 ? 94 SER A N 1 ATOM 232 C CA . SER A 1 71 ? -17.401 -3.410 -73.936 1.00 70.71 ? 94 SER A CA 1 ATOM 233 C C . SER A 1 71 ? -17.029 -1.959 -74.187 1.00 76.17 ? 94 SER A C 1 ATOM 234 O O . SER A 1 71 ? -17.780 -1.043 -73.848 1.00 76.68 ? 94 SER A O 1 ATOM 235 C CB . SER A 1 71 ? -18.575 -3.799 -74.836 1.00 73.89 ? 94 SER A CB 1 ATOM 236 O OG . SER A 1 71 ? -18.450 -3.187 -76.118 1.00 79.14 ? 94 SER A OG 1 ATOM 237 N N . CYS A 1 72 ? -15.882 -1.774 -74.817 1.00 73.65 ? 95 CYS A N 1 ATOM 238 C CA . CYS A 1 72 ? -15.553 -0.616 -75.595 1.00 77.67 ? 95 CYS A CA 1 ATOM 239 C C . CYS A 1 72 ? -15.838 -1.136 -76.973 1.00 86.98 ? 95 CYS A C 1 ATOM 240 O O . CYS A 1 72 ? -16.122 -2.324 -77.139 1.00 94.97 ? 95 CYS A O 1 ATOM 241 C CB . CYS A 1 72 ? -14.095 -0.233 -75.414 1.00 82.66 ? 95 CYS A CB 1 ATOM 242 S SG . CYS A 1 72 ? -13.657 -0.608 -73.762 1.00 88.85 ? 95 CYS A SG 1 ATOM 243 N N . SER A 1 73 ? -15.908 -0.246 -77.940 1.00 84.96 ? 96 SER A N 1 ATOM 244 C CA . SER A 1 73 ? -16.277 1.128 -77.677 1.00 83.96 ? 96 SER A CA 1 ATOM 245 C C . SER A 1 73 ? -17.595 1.210 -78.442 1.00 88.40 ? 96 SER A C 1 ATOM 246 O O . SER A 1 73 ? -18.266 0.180 -78.525 1.00 84.03 ? 96 SER A O 1 ATOM 247 C CB . SER A 1 73 ? -15.180 2.082 -78.122 1.00 87.07 ? 96 SER A CB 1 ATOM 248 O OG . SER A 1 73 ? -15.606 3.430 -78.192 1.00 91.38 ? 96 SER A OG 1 ATOM 249 N N . GLU A 1 74 ? -17.989 2.364 -78.988 1.00 87.86 ? 97 GLU A N 1 ATOM 250 C CA . GLU A 1 74 ? -19.214 2.409 -79.808 1.00 88.86 ? 97 GLU A CA 1 ATOM 251 C C . GLU A 1 74 ? -19.172 1.296 -80.832 1.00 91.37 ? 97 GLU A C 1 ATOM 252 O O . GLU A 1 74 ? -18.181 1.160 -81.553 1.00 93.85 ? 97 GLU A O 1 ATOM 253 C CB . GLU A 1 74 ? -19.401 3.744 -80.515 1.00 91.91 ? 97 GLU A CB 1 ATOM 254 C CG . GLU A 1 74 ? -19.300 4.913 -79.604 1.00 90.00 ? 97 GLU A CG 1 ATOM 255 C CD . GLU A 1 74 ? -19.347 6.229 -80.330 1.00 93.35 ? 97 GLU A CD 1 ATOM 256 O OE1 . GLU A 1 74 ? -19.569 7.257 -79.655 1.00 94.79 ? 97 GLU A OE1 1 ATOM 257 O OE2 . GLU A 1 74 ? -19.181 6.232 -81.570 1.00 97.31 ? 97 GLU A OE2 1 ATOM 258 N N . ASP A 1 75 ? -20.236 0.501 -80.915 1.00 90.95 ? 98 ASP A N 1 ATOM 259 C CA . ASP A 1 75 ? -21.551 0.768 -80.319 1.00 89.03 ? 98 ASP A CA 1 ATOM 260 C C . ASP A 1 75 ? -21.786 0.423 -78.834 1.00 84.32 ? 98 ASP A C 1 ATOM 261 O O . ASP A 1 75 ? -22.880 -0.019 -78.490 1.00 82.98 ? 98 ASP A O 1 ATOM 262 C CB . ASP A 1 75 ? -22.585 -0.008 -81.127 1.00 91.03 ? 98 ASP A CB 1 ATOM 263 C CG . ASP A 1 75 ? -22.318 -1.503 -81.098 1.00 90.27 ? 98 ASP A CG 1 ATOM 264 O OD1 . ASP A 1 75 ? -21.344 -1.919 -80.432 1.00 88.18 ? 98 ASP A OD1 1 ATOM 265 O OD2 . ASP A 1 75 ? -23.082 -2.268 -81.713 1.00 91.83 ? 98 ASP A OD2 1 ATOM 266 N N . CYS A 1 76 ? -20.797 0.611 -77.953 1.00 81.94 ? 99 CYS A N 1 ATOM 267 C CA . CYS A 1 76 ? -21.008 0.244 -76.554 1.00 77.68 ? 99 CYS A CA 1 ATOM 268 C C . CYS A 1 76 ? -22.085 1.104 -75.909 1.00 76.16 ? 99 CYS A C 1 ATOM 269 O O . CYS A 1 76 ? -22.861 0.614 -75.076 1.00 73.54 ? 99 CYS A O 1 ATOM 270 C CB . CYS A 1 76 ? -19.697 0.328 -75.762 1.00 75.73 ? 99 CYS A CB 1 ATOM 271 S SG . CYS A 1 76 ? -19.201 1.950 -75.095 1.00 74.83 ? 99 CYS A SG 1 ATOM 272 N N . LEU A 1 77 ? -22.146 2.386 -76.276 1.00 77.95 ? 100 LEU A N 1 ATOM 273 C CA . LEU A 1 77 ? -23.004 3.318 -75.555 1.00 76.49 ? 100 LEU A CA 1 ATOM 274 C C . LEU A 1 77 ? -24.476 3.027 -75.818 1.00 77.07 ? 100 LEU A C 1 ATOM 275 O O . LEU A 1 77 ? -25.266 2.870 -74.885 1.00 74.44 ? 100 LEU A O 1 ATOM 276 C CB . LEU A 1 77 ? -22.662 4.759 -75.933 1.00 78.62 ? 100 LEU A CB 1 ATOM 277 C CG . LEU A 1 77 ? -21.464 5.447 -75.244 1.00 77.29 ? 100 LEU A CG 1 ATOM 278 C CD1 . LEU A 1 77 ? -21.391 6.895 -75.681 1.00 79.78 ? 100 LEU A CD1 1 ATOM 279 C CD2 . LEU A 1 77 ? -21.492 5.380 -73.710 1.00 73.01 ? 100 LEU A CD2 1 ATOM 280 N N . THR A 1 78 ? -24.872 2.963 -77.093 1.00 80.70 ? 101 THR A N 1 ATOM 281 C CA . THR A 1 78 ? -26.273 2.694 -77.410 1.00 81.62 ? 101 THR A CA 1 ATOM 282 C C . THR A 1 78 ? -26.702 1.328 -76.897 1.00 79.34 ? 101 THR A C 1 ATOM 283 O O . THR A 1 78 ? -27.868 1.142 -76.544 1.00 78.48 ? 101 THR A O 1 ATOM 284 C CB . THR A 1 78 ? -26.527 2.806 -78.919 1.00 86.21 ? 101 THR A CB 1 ATOM 285 O OG1 . THR A 1 78 ? -25.763 1.815 -79.603 1.00 87.48 ? 101 THR A OG1 1 ATOM 286 C CG2 . THR A 1 78 ? -26.120 4.154 -79.434 1.00 88.71 ? 101 THR A CG2 1 ATOM 287 N N . LYS A 1 79 ? -25.768 0.408 -76.864 1.00 78.45 ? 102 LYS A N 1 ATOM 288 C CA . LYS A 1 79 ? -25.994 -0.914 -76.372 1.00 76.30 ? 102 LYS A CA 1 ATOM 289 C C . LYS A 1 79 ? -25.889 -0.991 -74.835 1.00 72.14 ? 102 LYS A C 1 ATOM 290 O O . LYS A 1 79 ? -26.207 -2.003 -74.257 1.00 70.16 ? 102 LYS A O 1 ATOM 291 C CB . LYS A 1 79 ? -24.970 -1.845 -77.000 1.00 77.85 ? 102 LYS A CB 1 ATOM 292 C CG . LYS A 1 79 ? -25.533 -3.169 -77.449 1.00 81.45 ? 102 LYS A CG 1 ATOM 293 C CD . LYS A 1 79 ? -24.768 -3.720 -78.628 1.00 85.07 ? 102 LYS A CD 1 ATOM 294 C CE . LYS A 1 79 ? -25.384 -5.023 -79.106 1.00 88.18 ? 102 LYS A CE 1 ATOM 295 N NZ . LYS A 1 79 ? -25.975 -4.933 -80.462 1.00 90.43 ? 102 LYS A NZ 1 ATOM 296 N N . LYS A 1 80 ? -25.442 0.087 -74.196 1.00 76.36 ? 103 LYS A N 1 ATOM 297 C CA . LYS A 1 80 ? -25.275 0.200 -72.754 1.00 71.37 ? 103 LYS A CA 1 ATOM 298 C C . LYS A 1 80 ? -24.411 -0.947 -72.249 1.00 65.30 ? 103 LYS A C 1 ATOM 299 O O . LYS A 1 80 ? -24.675 -1.552 -71.209 1.00 63.25 ? 103 LYS A O 1 ATOM 300 C CB . LYS A 1 80 ? -26.637 0.238 -72.067 1.00 72.36 ? 103 LYS A CB 1 ATOM 301 C CG . LYS A 1 80 ? -27.694 0.965 -72.889 1.00 71.91 ? 103 LYS A CG 1 ATOM 302 C CD . LYS A 1 80 ? -28.160 2.218 -72.199 1.00 74.30 ? 103 LYS A CD 1 ATOM 303 C CE . LYS A 1 80 ? -29.354 2.819 -72.914 1.00 82.20 ? 103 LYS A CE 1 ATOM 304 N NZ . LYS A 1 80 ? -30.560 1.943 -72.815 1.00 84.10 ? 103 LYS A NZ 1 ATOM 305 N N . ASP A 1 81 ? -23.371 -1.230 -73.017 1.00 70.44 ? 104 ASP A N 1 ATOM 306 C CA . ASP A 1 81 ? -22.427 -2.310 -72.807 1.00 67.64 ? 104 ASP A CA 1 ATOM 307 C C . ASP A 1 81 ? -21.085 -1.791 -72.316 1.00 65.37 ? 104 ASP A C 1 ATOM 308 O O . ASP A 1 81 ? -20.148 -2.583 -72.165 1.00 64.93 ? 104 ASP A O 1 ATOM 309 C CB . ASP A 1 81 ? -22.246 -3.051 -74.147 1.00 70.05 ? 104 ASP A CB 1 ATOM 310 C CG . ASP A 1 81 ? -22.225 -4.541 -74.001 1.00 70.84 ? 104 ASP A CG 1 ATOM 311 O OD1 . ASP A 1 81 ? -22.416 -5.049 -72.873 1.00 68.51 ? 104 ASP A OD1 1 ATOM 312 O OD2 . ASP A 1 81 ? -22.049 -5.198 -75.043 1.00 71.69 ? 104 ASP A OD2 1 ATOM 313 N N . CYS A 1 82 ? -20.967 -0.482 -72.089 1.00 65.27 ? 105 CYS A N 1 ATOM 314 C CA . CYS A 1 82 ? -19.658 0.157 -72.017 1.00 67.70 ? 105 CYS A CA 1 ATOM 315 C C . CYS A 1 82 ? -18.903 -0.213 -70.754 1.00 62.44 ? 105 CYS A C 1 ATOM 316 O O . CYS A 1 82 ? -19.489 -0.336 -69.675 1.00 59.59 ? 105 CYS A O 1 ATOM 317 C CB . CYS A 1 82 ? -19.781 1.676 -72.070 1.00 66.44 ? 105 CYS A CB 1 ATOM 318 S SG . CYS A 1 82 ? -20.480 2.335 -73.555 1.00 70.59 ? 105 CYS A SG 1 ATOM 319 N N . CYS A 1 83 ? -17.584 -0.361 -70.896 1.00 64.77 ? 106 CYS A N 1 ATOM 320 C CA . CYS A 1 83 ? -16.699 -0.270 -69.740 1.00 61.08 ? 106 CYS A CA 1 ATOM 321 C C . CYS A 1 83 ? -16.803 1.108 -69.118 1.00 60.09 ? 106 CYS A C 1 ATOM 322 O O . CYS A 1 83 ? -16.818 2.119 -69.816 1.00 62.27 ? 106 CYS A O 1 ATOM 323 C CB . CYS A 1 83 ? -15.256 -0.596 -70.134 1.00 64.56 ? 106 CYS A CB 1 ATOM 324 S SG . CYS A 1 83 ? -15.230 -2.291 -70.600 1.00 67.40 ? 106 CYS A SG 1 ATOM 325 N N . THR A 1 84 ? -16.903 1.138 -67.787 1.00 56.51 ? 107 THR A N 1 ATOM 326 C CA . THR A 1 84 ? -17.137 2.392 -67.082 1.00 55.40 ? 107 THR A CA 1 ATOM 327 C C . THR A 1 84 ? -16.135 3.481 -67.461 1.00 57.26 ? 107 THR A C 1 ATOM 328 O O . THR A 1 84 ? -16.471 4.668 -67.415 1.00 57.77 ? 107 THR A O 1 ATOM 329 C CB . THR A 1 84 ? -17.092 2.142 -65.581 1.00 51.92 ? 107 THR A CB 1 ATOM 330 O OG1 . THR A 1 84 ? -15.796 1.638 -65.236 1.00 51.44 ? 107 THR A OG1 1 ATOM 331 C CG2 . THR A 1 84 ? -18.131 1.120 -65.218 1.00 50.32 ? 107 THR A CG2 1 ATOM 332 N N . ASP A 1 85 ? -14.911 3.123 -67.827 1.00 59.59 ? 108 ASP A N 1 ATOM 333 C CA . ASP A 1 85 ? -13.992 4.194 -68.179 1.00 62.41 ? 108 ASP A CA 1 ATOM 334 C C . ASP A 1 85 ? -14.200 4.700 -69.602 1.00 68.34 ? 108 ASP A C 1 ATOM 335 O O . ASP A 1 85 ? -13.545 5.675 -69.998 1.00 68.26 ? 108 ASP A O 1 ATOM 336 C CB . ASP A 1 85 ? -12.539 3.749 -67.975 1.00 67.26 ? 108 ASP A CB 1 ATOM 337 C CG . ASP A 1 85 ? -12.253 2.372 -68.546 1.00 69.69 ? 108 ASP A CG 1 ATOM 338 O OD1 . ASP A 1 85 ? -13.144 1.757 -69.174 1.00 71.23 ? 108 ASP A OD1 1 ATOM 339 O OD2 . ASP A 1 85 ? -11.110 1.911 -68.363 1.00 73.00 ? 108 ASP A OD2 1 ATOM 340 N N . TYR A 1 86 ? -15.158 4.114 -70.330 1.00 66.38 ? 109 TYR A N 1 ATOM 341 C CA . TYR A 1 86 ? -15.235 4.237 -71.784 1.00 68.75 ? 109 TYR A CA 1 ATOM 342 C C . TYR A 1 86 ? -14.966 5.653 -72.288 1.00 71.19 ? 109 TYR A C 1 ATOM 343 O O . TYR A 1 86 ? -14.161 5.849 -73.207 1.00 74.18 ? 109 TYR A O 1 ATOM 344 C CB . TYR A 1 86 ? -16.599 3.756 -72.274 1.00 69.14 ? 109 TYR A CB 1 ATOM 345 C CG . TYR A 1 86 ? -16.873 4.219 -73.674 1.00 73.07 ? 109 TYR A CG 1 ATOM 346 C CD1 . TYR A 1 86 ? -16.166 3.694 -74.735 1.00 75.90 ? 109 TYR A CD1 1 ATOM 347 C CD2 . TYR A 1 86 ? -17.783 5.235 -73.924 1.00 74.19 ? 109 TYR A CD2 1 ATOM 348 C CE1 . TYR A 1 86 ? -16.380 4.139 -75.997 1.00 79.66 ? 109 TYR A CE1 1 ATOM 349 C CE2 . TYR A 1 86 ? -18.007 5.680 -75.198 1.00 77.99 ? 109 TYR A CE2 1 ATOM 350 C CZ . TYR A 1 86 ? -17.303 5.121 -76.233 1.00 80.71 ? 109 TYR A CZ 1 ATOM 351 O OH . TYR A 1 86 ? -17.508 5.564 -77.512 1.00 84.74 ? 109 TYR A OH 1 ATOM 352 N N . LYS A 1 87 ? -15.636 6.654 -71.715 1.00 70.19 ? 110 LYS A N 1 ATOM 353 C CA . LYS A 1 87 ? -15.534 7.998 -72.275 1.00 72.87 ? 110 LYS A CA 1 ATOM 354 C C . LYS A 1 87 ? -14.189 8.644 -71.947 1.00 74.26 ? 110 LYS A C 1 ATOM 355 O O . LYS A 1 87 ? -13.577 9.288 -72.801 1.00 76.41 ? 110 LYS A O 1 ATOM 356 C CB . LYS A 1 87 ? -16.686 8.871 -71.791 1.00 71.99 ? 110 LYS A CB 1 ATOM 357 C CG . LYS A 1 87 ? -18.032 8.247 -72.097 1.00 75.55 ? 110 LYS A CG 1 ATOM 358 C CD . LYS A 1 87 ? -19.178 9.221 -71.901 1.00 73.84 ? 110 LYS A CD 1 ATOM 359 C CE . LYS A 1 87 ? -20.360 8.847 -72.781 1.00 73.75 ? 110 LYS A CE 1 ATOM 360 N NZ . LYS A 1 87 ? -21.610 9.500 -72.308 1.00 73.07 ? 110 LYS A NZ 1 ATOM 361 N N . SER A 1 88 ? -13.710 8.494 -70.713 1.00 71.53 ? 111 SER A N 1 ATOM 362 C CA . SER A 1 88 ? -12.416 9.077 -70.362 1.00 73.62 ? 111 SER A CA 1 ATOM 363 C C . SER A 1 88 ? -11.285 8.461 -71.174 1.00 79.46 ? 111 SER A C 1 ATOM 364 O O . SER A 1 88 ? -10.283 9.123 -71.459 1.00 77.25 ? 111 SER A O 1 ATOM 365 C CB . SER A 1 88 ? -12.153 8.913 -68.857 1.00 69.94 ? 111 SER A CB 1 ATOM 366 O OG . SER A 1 88 ? -11.483 7.706 -68.543 1.00 67.92 ? 111 SER A OG 1 ATOM 367 N N . ILE A 1 89 ? -11.462 7.223 -71.606 1.00 74.17 ? 112 ILE A N 1 ATOM 368 C CA . ILE A 1 89 ? -10.376 6.405 -72.116 1.00 78.05 ? 112 ILE A CA 1 ATOM 369 C C . ILE A 1 89 ? -10.472 6.227 -73.624 1.00 82.30 ? 112 ILE A C 1 ATOM 370 O O . ILE A 1 89 ? -9.461 5.895 -74.263 1.00 84.56 ? 112 ILE A O 1 ATOM 371 C CB . ILE A 1 89 ? -10.407 5.049 -71.382 1.00 82.76 ? 112 ILE A CB 1 ATOM 372 C CG1 . ILE A 1 89 ? -9.302 4.072 -71.742 1.00 81.16 ? 112 ILE A CG1 1 ATOM 373 C CG2 . ILE A 1 89 ? -11.667 4.378 -71.732 1.00 85.49 ? 112 ILE A CG2 1 ATOM 374 C CD1 . ILE A 1 89 ? -9.338 2.884 -70.775 1.00 71.24 ? 112 ILE A CD1 1 ATOM 375 N N . CYS A 1 90 ? -11.633 6.481 -74.215 1.00 85.89 ? 113 CYS A N 1 ATOM 376 C CA . CYS A 1 90 ? -11.906 6.309 -75.634 1.00 83.71 ? 113 CYS A CA 1 ATOM 377 C C . CYS A 1 90 ? -12.485 7.556 -76.279 1.00 89.08 ? 113 CYS A C 1 ATOM 378 O O . CYS A 1 90 ? -12.280 7.778 -77.478 1.00 88.95 ? 113 CYS A O 1 ATOM 379 C CB . CYS A 1 90 ? -12.896 5.160 -75.864 1.00 81.98 ? 113 CYS A CB 1 ATOM 380 S SG . CYS A 1 90 ? -12.198 3.549 -75.503 1.00 85.12 ? 113 CYS A SG 1 ATOM 381 N N . LYS A 1 91 ? -13.207 8.374 -75.516 1.00 83.61 ? 114 LYS A N 1 ATOM 382 C CA . LYS A 1 91 ? -13.721 9.655 -75.981 1.00 86.20 ? 114 LYS A CA 1 ATOM 383 C C . LYS A 1 91 ? -12.844 10.821 -75.569 1.00 90.76 ? 114 LYS A C 1 ATOM 384 O O . LYS A 1 91 ? -13.139 11.959 -75.941 1.00 88.33 ? 114 LYS A O 1 ATOM 385 C CB . LYS A 1 91 ? -15.127 9.889 -75.436 1.00 83.61 ? 114 LYS A CB 1 ATOM 386 C CG . LYS A 1 91 ? -16.242 9.431 -76.319 1.00 85.24 ? 114 LYS A CG 1 ATOM 387 C CD . LYS A 1 91 ? -17.533 9.541 -75.538 1.00 82.68 ? 114 LYS A CD 1 ATOM 388 C CE . LYS A 1 91 ? -18.588 10.295 -76.309 1.00 87.06 ? 114 LYS A CE 1 ATOM 389 N NZ . LYS A 1 91 ? -19.938 9.839 -75.902 1.00 85.82 ? 114 LYS A NZ 1 ATOM 390 N N . ARG A 1 92 ? -11.799 10.569 -74.780 1.00 88.11 ? 115 ARG A N 1 ATOM 391 C CA . ARG A 1 92 ? -10.912 11.619 -74.280 1.00 91.43 ? 115 ARG A CA 1 ATOM 392 C C . ARG A 1 92 ? -11.685 12.709 -73.532 1.00 86.14 ? 115 ARG A C 1 ATOM 393 O O . ARG A 1 92 ? -11.455 13.905 -73.721 1.00 88.92 ? 115 ARG A O 1 ATOM 394 C CB . ARG A 1 92 ? -10.071 12.215 -75.412 1.00 100.60 ? 115 ARG A CB 1 ATOM 395 C CG . ARG A 1 92 ? -8.760 11.478 -75.648 1.00 102.81 ? 115 ARG A CG 1 ATOM 396 C CD . ARG A 1 92 ? -7.931 11.490 -74.379 1.00 101.31 ? 115 ARG A CD 1 ATOM 397 N NE . ARG A 1 92 ? -7.951 12.810 -73.756 1.00 101.42 ? 115 ARG A NE 1 ATOM 398 C CZ . ARG A 1 92 ? -7.832 13.026 -72.451 1.00 96.79 ? 115 ARG A CZ 1 ATOM 399 N NH1 . ARG A 1 92 ? -7.688 12.002 -71.616 1.00 92.77 ? 115 ARG A NH1 1 ATOM 400 N NH2 . ARG A 1 92 ? -7.867 14.267 -71.980 1.00 96.42 ? 115 ARG A NH2 1 ATOM 401 N N . GLU A 1 93 ? -12.615 12.296 -72.686 1.00 83.01 ? 116 GLU A N 1 ATOM 402 C CA . GLU A 1 93 ? -13.234 13.175 -71.710 1.00 80.04 ? 116 GLU A CA 1 ATOM 403 C C . GLU A 1 93 ? -12.461 13.051 -70.401 1.00 77.18 ? 116 GLU A C 1 ATOM 404 O O . GLU A 1 93 ? -11.704 12.101 -70.202 1.00 78.88 ? 116 GLU A O 1 ATOM 405 C CB . GLU A 1 93 ? -14.704 12.799 -71.518 1.00 82.86 ? 116 GLU A CB 1 ATOM 406 C CG . GLU A 1 93 ? -15.629 13.948 -71.211 1.00 86.42 ? 116 GLU A CG 1 ATOM 407 C CD . GLU A 1 93 ? -16.959 13.815 -71.901 1.00 93.23 ? 116 GLU A CD 1 ATOM 408 O OE1 . GLU A 1 93 ? -17.473 14.773 -72.382 1.00 95.02 ? 116 GLU A OE1 1 ATOM 409 O OE2 . GLU A 1 93 ? -17.482 12.747 -71.982 1.00 95.43 ? 116 GLU A OE2 1 ATOM 410 N N . THR A 1 94 ? -12.621 14.028 -69.516 1.00 73.67 ? 117 THR A N 1 ATOM 411 C CA . THR A 1 94 ? -11.965 13.918 -68.217 1.00 76.37 ? 117 THR A CA 1 ATOM 412 C C . THR A 1 94 ? -12.752 12.943 -67.338 1.00 66.92 ? 117 THR A C 1 ATOM 413 O O . THR A 1 94 ? -13.952 13.128 -67.117 1.00 66.02 ? 117 THR A O 1 ATOM 414 C CB . THR A 1 94 ? -11.815 15.291 -67.538 1.00 75.35 ? 117 THR A CB 1 ATOM 415 O OG1 . THR A 1 94 ? -12.970 15.598 -66.765 1.00 78.82 ? 117 THR A OG1 1 ATOM 416 C CG2 . THR A 1 94 ? -11.580 16.396 -68.548 1.00 74.99 ? 117 THR A CG2 1 ATOM 417 N N . SER A 1 95 ? -12.070 11.922 -66.833 1.00 69.25 ? 118 SER A N 1 ATOM 418 C CA . SER A 1 95 ? -12.647 10.923 -65.908 1.00 64.95 ? 118 SER A CA 1 ATOM 419 C C . SER A 1 95 ? -13.091 11.555 -64.616 1.00 60.21 ? 118 SER A C 1 ATOM 420 O O . SER A 1 95 ? -12.592 12.586 -64.275 1.00 64.39 ? 118 SER A O 1 ATOM 421 C CB . SER A 1 95 ? -11.618 9.873 -65.565 1.00 62.20 ? 118 SER A CB 1 ATOM 422 O OG . SER A 1 95 ? -10.666 10.378 -64.674 1.00 63.05 ? 118 SER A OG 1 ATOM 423 N N . TRP A 1 96 ? -14.017 10.932 -63.903 1.00 56.50 ? 119 TRP A N 1 ATOM 424 C CA . TRP A 1 96 ? -14.497 11.481 -62.643 1.00 54.08 ? 119 TRP A CA 1 ATOM 425 C C . TRP A 1 96 ? -13.358 11.782 -61.665 1.00 52.93 ? 119 TRP A C 1 ATOM 426 O O . TRP A 1 96 ? -13.351 12.779 -60.975 1.00 52.89 ? 119 TRP A O 1 ATOM 427 C CB . TRP A 1 96 ? -15.500 10.528 -61.979 1.00 51.32 ? 119 TRP A CB 1 ATOM 428 C CG . TRP A 1 96 ? -15.860 10.914 -60.584 1.00 48.71 ? 119 TRP A CG 1 ATOM 429 C CD1 . TRP A 1 96 ? -16.717 11.868 -60.202 1.00 48.64 ? 119 TRP A CD1 1 ATOM 430 C CD2 . TRP A 1 96 ? -15.330 10.362 -59.393 1.00 48.11 ? 119 TRP A CD2 1 ATOM 431 N NE1 . TRP A 1 96 ? -16.776 11.947 -58.862 1.00 48.49 ? 119 TRP A NE1 1 ATOM 432 C CE2 . TRP A 1 96 ? -15.935 11.014 -58.336 1.00 44.40 ? 119 TRP A CE2 1 ATOM 433 C CE3 . TRP A 1 96 ? -14.426 9.350 -59.122 1.00 44.97 ? 119 TRP A CE3 1 ATOM 434 C CZ2 . TRP A 1 96 ? -15.647 10.715 -57.033 1.00 45.80 ? 119 TRP A CZ2 1 ATOM 435 C CZ3 . TRP A 1 96 ? -14.153 9.051 -57.830 1.00 47.44 ? 119 TRP A CZ3 1 ATOM 436 C CH2 . TRP A 1 96 ? -14.752 9.724 -56.806 1.00 46.10 ? 119 TRP A CH2 1 ATOM 437 N N . LEU A 1 97 ? -12.411 10.879 -61.637 1.00 52.25 ? 120 LEU A N 1 ATOM 438 C CA . LEU A 1 97 ? -11.283 10.973 -60.751 1.00 54.01 ? 120 LEU A CA 1 ATOM 439 C C . LEU A 1 97 ? -10.413 12.172 -60.983 1.00 60.06 ? 120 LEU A C 1 ATOM 440 O O . LEU A 1 97 ? -10.063 12.843 -60.044 1.00 54.49 ? 120 LEU A O 1 ATOM 441 C CB . LEU A 1 97 ? -10.460 9.692 -60.759 1.00 50.35 ? 120 LEU A CB 1 ATOM 442 C CG . LEU A 1 97 ? -9.346 9.656 -59.726 1.00 49.15 ? 120 LEU A CG 1 ATOM 443 C CD1 . LEU A 1 97 ? -9.858 10.001 -58.353 1.00 46.30 ? 120 LEU A CD1 1 ATOM 444 C CD2 . LEU A 1 97 ? -8.666 8.320 -59.737 1.00 48.85 ? 120 LEU A CD2 1 ATOM 445 N N . LYS A 1 98 ? -10.089 12.454 -62.239 1.00 60.87 ? 121 LYS A N 1 ATOM 446 C CA . LYS A 1 98 ? -9.249 13.584 -62.544 1.00 62.78 ? 121 LYS A CA 1 ATOM 447 C C . LYS A 1 98 ? -9.948 14.891 -62.366 1.00 63.03 ? 121 LYS A C 1 ATOM 448 O O . LYS A 1 98 ? -9.308 15.894 -62.327 1.00 68.15 ? 121 LYS A O 1 ATOM 449 C CB . LYS A 1 98 ? -8.635 13.467 -63.931 1.00 67.70 ? 121 LYS A CB 1 ATOM 450 C CG . LYS A 1 98 ? -7.448 12.520 -63.992 1.00 72.63 ? 121 LYS A CG 1 ATOM 451 C CD . LYS A 1 98 ? -6.444 12.938 -65.061 1.00 77.31 ? 121 LYS A CD 1 ATOM 452 C CE . LYS A 1 98 ? -5.002 12.653 -64.684 1.00 78.79 ? 121 LYS A CE 1 ATOM 453 N NZ . LYS A 1 98 ? -4.638 11.229 -64.885 1.00 75.18 ? 121 LYS A NZ 1 ATOM 454 N N . ASP A 1 99 ? -11.257 14.890 -62.236 1.00 58.51 ? 122 ASP A N 1 ATOM 455 C CA . ASP A 1 99 ? -11.981 16.132 -62.042 1.00 63.01 ? 122 ASP A CA 1 ATOM 456 C C . ASP A 1 99 ? -11.809 16.777 -60.694 1.00 66.15 ? 122 ASP A C 1 ATOM 457 O O . ASP A 1 99 ? -11.329 16.169 -59.778 1.00 60.63 ? 122 ASP A O 1 ATOM 458 C CB . ASP A 1 99 ? -13.465 15.865 -62.086 1.00 69.30 ? 122 ASP A CB 1 ATOM 459 C CG . ASP A 1 99 ? -14.001 15.784 -63.451 1.00 80.76 ? 122 ASP A CG 1 ATOM 460 O OD1 . ASP A 1 99 ? -13.580 14.915 -64.206 1.00 83.51 ? 122 ASP A OD1 1 ATOM 461 O OD2 . ASP A 1 99 ? -14.884 16.569 -63.753 1.00 85.39 ? 122 ASP A OD2 1 ATOM 462 N N . GLN A 1 100 ? -12.254 18.025 -60.600 1.00 71.90 ? 123 GLN A N 1 ATOM 463 C CA . GLN A 1 100 ? -12.327 18.769 -59.361 1.00 71.22 ? 123 GLN A CA 1 ATOM 464 C C . GLN A 1 100 ? -13.707 18.616 -58.724 1.00 67.92 ? 123 GLN A C 1 ATOM 465 O O . GLN A 1 100 ? -14.658 18.114 -59.332 1.00 71.15 ? 123 GLN A O 1 ATOM 466 C CB . GLN A 1 100 ? -12.008 20.232 -59.626 1.00 73.80 ? 123 GLN A CB 1 ATOM 467 C CG . GLN A 1 100 ? -10.641 20.442 -60.239 1.00 78.83 ? 123 GLN A CG 1 ATOM 468 C CD . GLN A 1 100 ? -9.884 21.558 -59.561 1.00 82.50 ? 123 GLN A CD 1 ATOM 469 O OE1 . GLN A 1 100 ? -8.759 21.367 -59.096 1.00 82.40 ? 123 GLN A OE1 1 ATOM 470 N NE2 . GLN A 1 100 ? -10.499 22.736 -59.496 1.00 83.46 ? 123 GLN A NE2 1 ATOM 471 N N . CYS A 1 101 ? -13.813 19.090 -57.482 1.00 66.40 ? 124 CYS A N 1 ATOM 472 C CA . CYS A 1 101 ? -15.001 18.830 -56.670 1.00 68.51 ? 124 CYS A CA 1 ATOM 473 C C . CYS A 1 101 ? -16.253 19.486 -57.249 1.00 78.83 ? 124 CYS A C 1 ATOM 474 O O . CYS A 1 101 ? -17.307 18.846 -57.344 1.00 76.96 ? 124 CYS A O 1 ATOM 475 C CB . CYS A 1 101 ? -14.782 19.323 -55.242 1.00 65.84 ? 124 CYS A CB 1 ATOM 476 S SG . CYS A 1 101 ? -13.652 18.323 -54.270 1.00 66.85 ? 124 CYS A SG 1 ATOM 477 N N . ALA A 1 102 ? -16.162 20.763 -57.617 1.00 77.36 ? 125 ALA A N 1 ATOM 478 C CA . ALA A 1 102 ? -17.320 21.550 -58.067 1.00 84.34 ? 125 ALA A CA 1 ATOM 479 C C . ALA A 1 102 ? -18.555 21.340 -57.188 1.00 81.68 ? 125 ALA A C 1 ATOM 480 O O . ALA A 1 102 ? -18.646 21.886 -56.087 1.00 82.30 ? 125 ALA A O 1 ATOM 481 C CB . ALA A 1 102 ? -17.644 21.226 -59.511 1.00 86.00 ? 125 ALA A CB 1 ATOM 482 N N . SER A 1 107 ? -26.771 19.191 -58.399 1.00 71.57 ? 130 SER A N 1 ATOM 483 C CA . SER A 1 107 ? -28.173 19.057 -58.077 1.00 72.58 ? 130 SER A CA 1 ATOM 484 C C . SER A 1 107 ? -28.951 18.912 -59.350 1.00 86.50 ? 130 SER A C 1 ATOM 485 O O . SER A 1 107 ? -30.115 19.245 -59.433 1.00 88.85 ? 130 SER A O 1 ATOM 486 C CB . SER A 1 107 ? -28.616 20.321 -57.410 1.00 71.48 ? 130 SER A CB 1 ATOM 487 O OG . SER A 1 107 ? -28.272 21.374 -58.262 1.00 80.01 ? 130 SER A OG 1 ATOM 488 N N . GLN A 1 108 ? -28.281 18.421 -60.364 1.00 83.22 ? 131 GLN A N 1 ATOM 489 C CA . GLN A 1 108 ? -28.862 18.302 -61.655 1.00 80.59 ? 131 GLN A CA 1 ATOM 490 C C . GLN A 1 108 ? -28.993 16.870 -62.090 1.00 72.48 ? 131 GLN A C 1 ATOM 491 O O . GLN A 1 108 ? -28.108 16.328 -62.715 1.00 73.65 ? 131 GLN A O 1 ATOM 492 C CB . GLN A 1 108 ? -27.968 19.065 -62.615 1.00 81.61 ? 131 GLN A CB 1 ATOM 493 C CG . GLN A 1 108 ? -26.492 18.810 -62.378 1.00 85.29 ? 131 GLN A CG 1 ATOM 494 C CD . GLN A 1 108 ? -25.733 20.039 -61.958 1.00 90.30 ? 131 GLN A CD 1 ATOM 495 O OE1 . GLN A 1 108 ? -26.051 21.146 -62.366 1.00 93.56 ? 131 GLN A OE1 1 ATOM 496 N NE2 . GLN A 1 108 ? -24.715 19.851 -61.136 1.00 89.03 ? 131 GLN A NE2 1 ATOM 497 N N . CYS A 1 109 ? -30.139 16.286 -61.755 1.00 75.88 ? 132 CYS A N 1 ATOM 498 C CA . CYS A 1 109 ? -30.464 14.936 -62.157 1.00 72.89 ? 132 CYS A CA 1 ATOM 499 C C . CYS A 1 109 ? -30.900 15.170 -63.589 1.00 78.56 ? 132 CYS A C 1 ATOM 500 O O . CYS A 1 109 ? -31.403 16.246 -63.913 1.00 81.64 ? 132 CYS A O 1 ATOM 501 C CB . CYS A 1 109 ? -31.617 14.382 -61.327 1.00 71.95 ? 132 CYS A CB 1 ATOM 502 S SG . CYS A 1 109 ? -31.105 13.383 -59.909 1.00 61.09 ? 132 CYS A SG 1 ATOM 503 N N . PRO A 1 110 ? -30.704 14.190 -64.457 1.00 73.73 ? 133 PRO A N 1 ATOM 504 C CA . PRO A 1 110 ? -31.064 14.378 -65.859 1.00 74.64 ? 133 PRO A CA 1 ATOM 505 C C . PRO A 1 110 ? -32.467 13.900 -66.184 1.00 73.05 ? 133 PRO A C 1 ATOM 506 O O . PRO A 1 110 ? -33.369 13.894 -65.335 1.00 67.55 ? 133 PRO A O 1 ATOM 507 C CB . PRO A 1 110 ? -29.995 13.570 -66.614 1.00 77.74 ? 133 PRO A CB 1 ATOM 508 C CG . PRO A 1 110 ? -29.201 12.822 -65.552 1.00 74.12 ? 133 PRO A CG 1 ATOM 509 C CD . PRO A 1 110 ? -29.939 12.951 -64.261 1.00 71.89 ? 133 PRO A CD 1 ATOM 510 N N . GLU A 1 111 ? -32.624 13.478 -67.438 1.00 68.99 ? 134 GLU A N 1 ATOM 511 C CA . GLU A 1 111 ? -33.924 13.321 -68.076 1.00 71.18 ? 134 GLU A CA 1 ATOM 512 C C . GLU A 1 111 ? -34.740 12.192 -67.464 1.00 68.81 ? 134 GLU A C 1 ATOM 513 O O . GLU A 1 111 ? -34.316 11.031 -67.474 1.00 67.05 ? 134 GLU A O 1 ATOM 514 C CB . GLU A 1 111 ? -33.706 13.077 -69.561 1.00 76.23 ? 134 GLU A CB 1 ATOM 515 C CG . GLU A 1 111 ? -33.172 14.297 -70.268 1.00 85.58 ? 134 GLU A CG 1 ATOM 516 C CD . GLU A 1 111 ? -31.646 14.394 -70.287 1.00 91.08 ? 134 GLU A CD 1 ATOM 517 O OE1 . GLU A 1 111 ? -31.020 14.643 -69.232 1.00 89.17 ? 134 GLU A OE1 1 ATOM 518 O OE2 . GLU A 1 111 ? -31.078 14.242 -71.385 1.00 96.34 ? 134 GLU A OE2 1 ATOM 519 N N . GLY A 1 112 ? -35.928 12.527 -66.963 1.00 69.02 ? 135 GLY A N 1 ATOM 520 C CA . GLY A 1 112 ? -36.781 11.546 -66.332 1.00 67.02 ? 135 GLY A CA 1 ATOM 521 C C . GLY A 1 112 ? -36.391 11.149 -64.923 1.00 63.06 ? 135 GLY A C 1 ATOM 522 O O . GLY A 1 112 ? -36.963 10.193 -64.390 1.00 65.24 ? 135 GLY A O 1 ATOM 523 N N . PHE A 1 113 ? -35.446 11.847 -64.295 1.00 61.75 ? 136 PHE A N 1 ATOM 524 C CA . PHE A 1 113 ? -35.090 11.606 -62.891 1.00 65.35 ? 136 PHE A CA 1 ATOM 525 C C . PHE A 1 113 ? -35.710 12.718 -62.049 1.00 67.80 ? 136 PHE A C 1 ATOM 526 O O . PHE A 1 113 ? -35.116 13.777 -61.838 1.00 69.15 ? 136 PHE A O 1 ATOM 527 C CB . PHE A 1 113 ? -33.580 11.529 -62.702 1.00 56.59 ? 136 PHE A CB 1 ATOM 528 C CG . PHE A 1 113 ? -32.972 10.250 -63.196 1.00 55.71 ? 136 PHE A CG 1 ATOM 529 C CD1 . PHE A 1 113 ? -32.678 10.084 -64.536 1.00 58.19 ? 136 PHE A CD1 1 ATOM 530 C CD2 . PHE A 1 113 ? -32.684 9.212 -62.312 1.00 52.57 ? 136 PHE A CD2 1 ATOM 531 C CE1 . PHE A 1 113 ? -32.120 8.912 -65.001 1.00 57.59 ? 136 PHE A CE1 1 ATOM 532 C CE2 . PHE A 1 113 ? -32.117 8.033 -62.768 1.00 51.96 ? 136 PHE A CE2 1 ATOM 533 C CZ . PHE A 1 113 ? -31.837 7.882 -64.115 1.00 57.67 ? 136 PHE A CZ 1 ATOM 534 N N . ASP A 1 114 ? -36.869 12.417 -61.569 1.00 63.03 ? 137 ASP A N 1 ATOM 535 C CA . ASP A 1 114 ? -37.691 13.244 -60.734 1.00 70.79 ? 137 ASP A CA 1 ATOM 536 C C . ASP A 1 114 ? -37.026 13.564 -59.419 1.00 67.33 ? 137 ASP A C 1 ATOM 537 O O . ASP A 1 114 ? -36.831 14.692 -59.020 1.00 69.47 ? 137 ASP A O 1 ATOM 538 C CB . ASP A 1 114 ? -39.017 12.493 -60.407 1.00 30.00 ? 137 ASP A CB 1 ATOM 539 C CG . ASP A 1 114 ? -39.040 11.026 -60.908 1.00 30.00 ? 137 ASP A CG 1 ATOM 540 O OD1 . ASP A 1 114 ? -38.526 10.829 -62.022 1.00 30.00 ? 137 ASP A OD1 1 ATOM 541 O OD2 . ASP A 1 114 ? -39.493 10.116 -60.211 1.00 30.00 ? 137 ASP A OD2 1 ATOM 542 N N . GLN A 1 115 ? -36.693 12.507 -58.735 1.00 67.99 ? 138 GLN A N 1 ATOM 543 C CA . GLN A 1 115 ? -36.117 12.550 -57.406 1.00 60.41 ? 138 GLN A CA 1 ATOM 544 C C . GLN A 1 115 ? -34.775 11.833 -57.431 1.00 52.00 ? 138 GLN A C 1 ATOM 545 O O . GLN A 1 115 ? -34.554 10.923 -58.229 1.00 50.73 ? 138 GLN A O 1 ATOM 546 C CB . GLN A 1 115 ? -37.079 11.928 -56.375 1.00 61.46 ? 138 GLN A CB 1 ATOM 547 C CG . GLN A 1 115 ? -38.514 12.495 -56.425 1.00 70.16 ? 138 GLN A CG 1 ATOM 548 C CD . GLN A 1 115 ? -38.695 13.805 -55.650 1.00 77.74 ? 138 GLN A CD 1 ATOM 549 O OE1 . GLN A 1 115 ? -37.743 14.566 -55.449 1.00 82.37 ? 138 GLN A OE1 1 ATOM 550 N NE2 . GLN A 1 115 ? -39.928 14.071 -55.217 1.00 78.19 ? 138 GLN A NE2 1 ATOM 551 N N . SER A 1 116 ? -33.876 12.265 -56.579 1.00 46.16 ? 139 SER A N 1 ATOM 552 C CA . SER A 1 116 ? -32.550 11.658 -56.524 1.00 49.39 ? 139 SER A CA 1 ATOM 553 C C . SER A 1 116 ? -32.617 10.173 -56.188 1.00 42.25 ? 139 SER A C 1 ATOM 554 O O . SER A 1 116 ? -33.234 9.802 -55.183 1.00 40.62 ? 139 SER A O 1 ATOM 555 C CB . SER A 1 116 ? -31.706 12.398 -55.506 1.00 43.10 ? 139 SER A CB 1 ATOM 556 O OG . SER A 1 116 ? -31.356 13.668 -56.038 1.00 52.23 ? 139 SER A OG 1 ATOM 557 N N . PRO A 1 117 ? -32.046 9.294 -57.009 1.00 42.36 ? 140 PRO A N 1 ATOM 558 C CA . PRO A 1 117 ? -31.869 7.904 -56.582 1.00 40.20 ? 140 PRO A CA 1 ATOM 559 C C . PRO A 1 117 ? -30.854 7.834 -55.455 1.00 37.74 ? 140 PRO A C 1 ATOM 560 O O . PRO A 1 117 ? -29.937 8.657 -55.354 1.00 43.02 ? 140 PRO A O 1 ATOM 561 C CB . PRO A 1 117 ? -31.347 7.197 -57.839 1.00 41.41 ? 140 PRO A CB 1 ATOM 562 C CG . PRO A 1 117 ? -31.488 8.200 -58.968 1.00 44.42 ? 140 PRO A CG 1 ATOM 563 C CD . PRO A 1 117 ? -31.491 9.539 -58.351 1.00 44.64 ? 140 PRO A CD 1 ATOM 564 N N . LEU A 1 118 ? -31.019 6.833 -54.601 1.00 35.69 ? 141 LEU A N 1 ATOM 565 C CA . LEU A 1 118 ? -30.141 6.649 -53.454 1.00 33.30 ? 141 LEU A CA 1 ATOM 566 C C . LEU A 1 118 ? -29.436 5.312 -53.588 1.00 32.18 ? 141 LEU A C 1 ATOM 567 O O . LEU A 1 118 ? -30.085 4.293 -53.829 1.00 32.12 ? 141 LEU A O 1 ATOM 568 C CB . LEU A 1 118 ? -30.923 6.720 -52.141 1.00 31.86 ? 141 LEU A CB 1 ATOM 569 C CG . LEU A 1 118 ? -30.137 6.300 -50.901 1.00 33.11 ? 141 LEU A CG 1 ATOM 570 C CD1 . LEU A 1 118 ? -28.860 7.151 -50.755 1.00 29.39 ? 141 LEU A CD1 1 ATOM 571 C CD2 . LEU A 1 118 ? -31.025 6.431 -49.664 1.00 32.51 ? 141 LEU A CD2 1 ATOM 572 N N . ILE A 1 119 ? -28.115 5.316 -53.457 1.00 31.50 ? 142 ILE A N 1 ATOM 573 C CA . ILE A 1 119 ? -27.332 4.089 -53.494 1.00 30.50 ? 142 ILE A CA 1 ATOM 574 C C . ILE A 1 119 ? -26.666 3.892 -52.138 1.00 28.29 ? 142 ILE A C 1 ATOM 575 O O . ILE A 1 119 ? -26.013 4.805 -51.619 1.00 27.99 ? 142 ILE A O 1 ATOM 576 C CB . ILE A 1 119 ? -26.294 4.127 -54.625 1.00 31.96 ? 142 ILE A CB 1 ATOM 577 C CG1 . ILE A 1 119 ? -26.994 4.164 -55.988 1.00 34.29 ? 142 ILE A CG1 1 ATOM 578 C CG2 . ILE A 1 119 ? -25.373 2.929 -54.529 1.00 30.96 ? 142 ILE A CG2 1 ATOM 579 C CD1 . ILE A 1 119 ? -26.025 4.094 -57.118 1.00 35.89 ? 142 ILE A CD1 1 ATOM 580 N N . LEU A 1 120 ? -26.814 2.704 -51.577 1.00 27.28 ? 143 LEU A N 1 ATOM 581 C CA . LEU A 1 120 ? -26.189 2.353 -50.302 1.00 27.89 ? 143 LEU A CA 1 ATOM 582 C C . LEU A 1 120 ? -25.131 1.306 -50.601 1.00 28.82 ? 143 LEU A C 1 ATOM 583 O O . LEU A 1 120 ? -25.450 0.194 -51.052 1.00 25.21 ? 143 LEU A O 1 ATOM 584 C CB . LEU A 1 120 ? -27.210 1.851 -49.270 1.00 23.71 ? 143 LEU A CB 1 ATOM 585 C CG . LEU A 1 120 ? -26.576 1.367 -47.963 1.00 28.80 ? 143 LEU A CG 1 ATOM 586 C CD1 . LEU A 1 120 ? -25.978 2.496 -47.073 1.00 21.25 ? 143 LEU A CD1 1 ATOM 587 C CD2 . LEU A 1 120 ? -27.711 0.635 -47.235 1.00 21.23 ? 143 LEU A CD2 1 ATOM 588 N N . PHE A 1 121 ? -23.873 1.676 -50.395 1.00 24.94 ? 144 PHE A N 1 ATOM 589 C CA . PHE A 1 121 ? -22.740 0.849 -50.778 1.00 24.62 ? 144 PHE A CA 1 ATOM 590 C C . PHE A 1 121 ? -22.003 0.447 -49.514 1.00 25.88 ? 144 PHE A C 1 ATOM 591 O O . PHE A 1 121 ? -21.481 1.304 -48.793 1.00 28.01 ? 144 PHE A O 1 ATOM 592 C CB . PHE A 1 121 ? -21.822 1.599 -51.747 1.00 26.20 ? 144 PHE A CB 1 ATOM 593 C CG . PHE A 1 121 ? -20.741 0.748 -52.347 1.00 27.67 ? 144 PHE A CG 1 ATOM 594 C CD1 . PHE A 1 121 ? -20.571 -0.573 -51.967 1.00 28.91 ? 144 PHE A CD1 1 ATOM 595 C CD2 . PHE A 1 121 ? -19.886 1.272 -53.321 1.00 38.97 ? 144 PHE A CD2 1 ATOM 596 C CE1 . PHE A 1 121 ? -19.575 -1.353 -52.530 1.00 31.83 ? 144 PHE A CE1 1 ATOM 597 C CE2 . PHE A 1 121 ? -18.882 0.479 -53.887 1.00 39.06 ? 144 PHE A CE2 1 ATOM 598 C CZ . PHE A 1 121 ? -18.740 -0.831 -53.480 1.00 36.52 ? 144 PHE A CZ 1 ATOM 599 N N . SER A 1 122 ? -21.953 -0.849 -49.247 1.00 31.77 ? 145 SER A N 1 ATOM 600 C CA . SER A 1 122 ? -21.268 -1.354 -48.065 1.00 24.46 ? 145 SER A CA 1 ATOM 601 C C . SER A 1 122 ? -20.003 -2.090 -48.476 1.00 21.50 ? 145 SER A C 1 ATOM 602 O O . SER A 1 122 ? -20.026 -2.924 -49.389 1.00 25.26 ? 145 SER A O 1 ATOM 603 C CB . SER A 1 122 ? -22.177 -2.290 -47.275 1.00 19.90 ? 145 SER A CB 1 ATOM 604 O OG . SER A 1 122 ? -21.392 -2.975 -46.313 1.00 21.49 ? 145 SER A OG 1 ATOM 605 N N . MET A 1 123 ? -18.909 -1.795 -47.805 1.00 21.01 ? 146 MET A N 1 ATOM 606 C CA . MET A 1 123 ? -17.686 -2.542 -48.011 1.00 21.52 ? 146 MET A CA 1 ATOM 607 C C . MET A 1 123 ? -17.410 -3.277 -46.706 1.00 20.23 ? 146 MET A C 1 ATOM 608 O O . MET A 1 123 ? -17.041 -2.666 -45.707 1.00 21.68 ? 146 MET A O 1 ATOM 609 C CB . MET A 1 123 ? -16.558 -1.604 -48.396 1.00 22.44 ? 146 MET A CB 1 ATOM 610 C CG . MET A 1 123 ? -16.614 -1.172 -49.805 1.00 24.13 ? 146 MET A CG 1 ATOM 611 S SD . MET A 1 123 ? -15.304 0.066 -49.965 1.00 30.56 ? 146 MET A SD 1 ATOM 612 C CE . MET A 1 123 ? -15.907 1.287 -51.041 1.00 44.33 ? 146 MET A CE 1 ATOM 613 N N . ASP A 1 124 ? -17.601 -4.584 -46.720 1.00 21.73 ? 147 ASP A N 1 ATOM 614 C CA . ASP A 1 124 ? -17.566 -5.343 -45.485 1.00 24.66 ? 147 ASP A CA 1 ATOM 615 C C . ASP A 1 124 ? -16.194 -5.235 -44.811 1.00 19.92 ? 147 ASP A C 1 ATOM 616 O O . ASP A 1 124 ? -15.154 -5.418 -45.446 1.00 20.15 ? 147 ASP A O 1 ATOM 617 C CB . ASP A 1 124 ? -17.924 -6.802 -45.775 1.00 24.07 ? 147 ASP A CB 1 ATOM 618 C CG . ASP A 1 124 ? -18.381 -7.509 -44.541 1.00 25.49 ? 147 ASP A CG 1 ATOM 619 O OD1 . ASP A 1 124 ? -17.695 -7.357 -43.514 1.00 20.40 ? 147 ASP A OD1 1 ATOM 620 O OD2 . ASP A 1 124 ? -19.431 -8.175 -44.592 1.00 23.59 ? 147 ASP A OD2 1 ATOM 621 N N . GLY A 1 125 ? -16.200 -4.908 -43.522 1.00 17.93 ? 148 GLY A N 1 ATOM 622 C CA . GLY A 1 125 ? -14.969 -4.920 -42.766 1.00 19.30 ? 148 GLY A CA 1 ATOM 623 C C . GLY A 1 125 ? -14.036 -3.756 -43.003 1.00 24.88 ? 148 GLY A C 1 ATOM 624 O O . GLY A 1 125 ? -12.854 -3.857 -42.643 1.00 21.64 ? 148 GLY A O 1 ATOM 625 N N . PHE A 1 126 ? -14.538 -2.637 -43.556 1.00 19.75 ? 149 PHE A N 1 ATOM 626 C CA . PHE A 1 126 ? -13.721 -1.453 -43.870 1.00 20.12 ? 149 PHE A CA 1 ATOM 627 C C . PHE A 1 126 ? -13.646 -0.592 -42.614 1.00 23.85 ? 149 PHE A C 1 ATOM 628 O O . PHE A 1 126 ? -14.507 0.247 -42.367 1.00 17.92 ? 149 PHE A O 1 ATOM 629 C CB . PHE A 1 126 ? -14.317 -0.699 -45.061 1.00 21.38 ? 149 PHE A CB 1 ATOM 630 C CG . PHE A 1 126 ? -13.398 0.324 -45.698 1.00 21.42 ? 149 PHE A CG 1 ATOM 631 C CD1 . PHE A 1 126 ? -12.666 1.210 -44.921 1.00 23.97 ? 149 PHE A CD1 1 ATOM 632 C CD2 . PHE A 1 126 ? -13.298 0.435 -47.076 1.00 22.91 ? 149 PHE A CD2 1 ATOM 633 C CE1 . PHE A 1 126 ? -11.845 2.169 -45.495 1.00 22.62 ? 149 PHE A CE1 1 ATOM 634 C CE2 . PHE A 1 126 ? -12.448 1.421 -47.657 1.00 28.10 ? 149 PHE A CE2 1 ATOM 635 C CZ . PHE A 1 126 ? -11.738 2.273 -46.842 1.00 24.10 ? 149 PHE A CZ 1 ATOM 636 N N . ARG A 1 127 ? -12.589 -0.784 -41.813 1.00 26.52 ? 150 ARG A N 1 ATOM 637 C CA . ARG A 1 127 ? -12.502 -0.065 -40.542 1.00 21.32 ? 150 ARG A CA 1 ATOM 638 C C . ARG A 1 127 ? -12.127 1.398 -40.770 1.00 25.22 ? 150 ARG A C 1 ATOM 639 O O . ARG A 1 127 ? -11.436 1.745 -41.731 1.00 22.64 ? 150 ARG A O 1 ATOM 640 C CB . ARG A 1 127 ? -11.507 -0.743 -39.591 1.00 17.63 ? 150 ARG A CB 1 ATOM 641 C CG . ARG A 1 127 ? -10.004 -0.480 -39.834 1.00 18.87 ? 150 ARG A CG 1 ATOM 642 C CD . ARG A 1 127 ? -9.203 -1.469 -38.982 1.00 18.96 ? 150 ARG A CD 1 ATOM 643 N NE . ARG A 1 127 ? -7.819 -1.042 -38.788 1.00 21.48 ? 150 ARG A NE 1 ATOM 644 C CZ . ARG A 1 127 ? -7.058 -1.449 -37.776 1.00 26.01 ? 150 ARG A CZ 1 ATOM 645 N NH1 . ARG A 1 127 ? -7.556 -2.268 -36.841 1.00 21.05 ? 150 ARG A NH1 1 ATOM 646 N NH2 . ARG A 1 127 ? -5.813 -1.023 -37.688 1.00 21.36 ? 150 ARG A NH2 1 ATOM 647 N N . ALA A 1 128 ? -12.651 2.262 -39.887 1.00 27.94 ? 151 ALA A N 1 ATOM 648 C CA . ALA A 1 128 ? -12.431 3.703 -39.988 1.00 27.63 ? 151 ALA A CA 1 ATOM 649 C C . ALA A 1 128 ? -10.954 4.044 -40.090 1.00 20.78 ? 151 ALA A C 1 ATOM 650 O O . ALA A 1 128 ? -10.591 5.000 -40.779 1.00 25.15 ? 151 ALA A O 1 ATOM 651 C CB . ALA A 1 128 ? -13.034 4.419 -38.777 1.00 17.48 ? 151 ALA A CB 1 ATOM 652 N N . GLU A 1 129 ? -10.122 3.249 -39.426 1.00 21.92 ? 152 GLU A N 1 ATOM 653 C CA . GLU A 1 129 ? -8.681 3.451 -39.435 1.00 26.21 ? 152 GLU A CA 1 ATOM 654 C C . GLU A 1 129 ? -8.072 3.324 -40.830 1.00 22.13 ? 152 GLU A C 1 ATOM 655 O O . GLU A 1 129 ? -7.062 3.963 -41.124 1.00 23.22 ? 152 GLU A O 1 ATOM 656 C CB . GLU A 1 129 ? -8.000 2.471 -38.477 1.00 27.16 ? 152 GLU A CB 1 ATOM 657 C CG . GLU A 1 129 ? -7.797 3.015 -37.073 1.00 50.74 ? 152 GLU A CG 1 ATOM 658 C CD . GLU A 1 129 ? -6.376 2.831 -36.576 1.00 57.91 ? 152 GLU A CD 1 ATOM 659 O OE1 . GLU A 1 129 ? -6.124 1.852 -35.842 1.00 55.11 ? 152 GLU A OE1 1 ATOM 660 O OE2 . GLU A 1 129 ? -5.512 3.664 -36.920 1.00 54.59 ? 152 GLU A OE2 1 ATOM 661 N N . TYR A 1 130 ? -8.673 2.505 -41.692 1.00 23.49 ? 153 TYR A N 1 ATOM 662 C CA . TYR A 1 130 ? -8.123 2.344 -43.036 1.00 24.85 ? 153 TYR A CA 1 ATOM 663 C C . TYR A 1 130 ? -8.178 3.667 -43.777 1.00 27.86 ? 153 TYR A C 1 ATOM 664 O O . TYR A 1 130 ? -7.265 4.024 -44.525 1.00 30.79 ? 153 TYR A O 1 ATOM 665 C CB . TYR A 1 130 ? -8.902 1.282 -43.810 1.00 23.93 ? 153 TYR A CB 1 ATOM 666 C CG . TYR A 1 130 ? -8.794 -0.135 -43.299 1.00 23.94 ? 153 TYR A CG 1 ATOM 667 C CD1 . TYR A 1 130 ? -7.626 -0.610 -42.647 1.00 22.93 ? 153 TYR A CD1 1 ATOM 668 C CD2 . TYR A 1 130 ? -9.845 -1.020 -43.509 1.00 21.63 ? 153 TYR A CD2 1 ATOM 669 C CE1 . TYR A 1 130 ? -7.551 -1.926 -42.210 1.00 23.79 ? 153 TYR A CE1 1 ATOM 670 C CE2 . TYR A 1 130 ? -9.787 -2.313 -43.080 1.00 23.79 ? 153 TYR A CE2 1 ATOM 671 C CZ . TYR A 1 130 ? -8.660 -2.768 -42.433 1.00 23.83 ? 153 TYR A CZ 1 ATOM 672 O OH . TYR A 1 130 ? -8.664 -4.074 -42.038 1.00 23.13 ? 153 TYR A OH 1 ATOM 673 N N . LEU A 1 131 ? -9.253 4.410 -43.561 1.00 31.09 ? 154 LEU A N 1 ATOM 674 C CA . LEU A 1 131 ? -9.455 5.677 -44.246 1.00 29.30 ? 154 LEU A CA 1 ATOM 675 C C . LEU A 1 131 ? -8.518 6.745 -43.715 1.00 29.36 ? 154 LEU A C 1 ATOM 676 O O . LEU A 1 131 ? -8.057 7.607 -44.477 1.00 31.29 ? 154 LEU A O 1 ATOM 677 C CB . LEU A 1 131 ? -10.910 6.109 -44.071 1.00 23.71 ? 154 LEU A CB 1 ATOM 678 C CG . LEU A 1 131 ? -11.324 7.340 -44.853 1.00 27.75 ? 154 LEU A CG 1 ATOM 679 C CD1 . LEU A 1 131 ? -11.214 6.996 -46.331 1.00 35.82 ? 154 LEU A CD1 1 ATOM 680 C CD2 . LEU A 1 131 ? -12.721 7.830 -44.481 1.00 28.07 ? 154 LEU A CD2 1 ATOM 681 N N . GLU A 1 132 ? -8.232 6.706 -42.416 1.00 28.51 ? 155 GLU A N 1 ATOM 682 C CA . GLU A 1 132 ? -7.480 7.796 -41.814 1.00 27.43 ? 155 GLU A CA 1 ATOM 683 C C . GLU A 1 132 ? -6.014 7.740 -42.241 1.00 31.41 ? 155 GLU A C 1 ATOM 684 O O . GLU A 1 132 ? -5.407 8.771 -42.536 1.00 37.05 ? 155 GLU A O 1 ATOM 685 C CB . GLU A 1 132 ? -7.628 7.733 -40.299 1.00 35.32 ? 155 GLU A CB 1 ATOM 686 C CG . GLU A 1 132 ? -6.568 8.396 -39.487 1.00 41.67 ? 155 GLU A CG 1 ATOM 687 C CD . GLU A 1 132 ? -6.540 7.828 -38.079 1.00 54.10 ? 155 GLU A CD 1 ATOM 688 O OE1 . GLU A 1 132 ? -7.569 7.251 -37.652 1.00 51.14 ? 155 GLU A OE1 1 ATOM 689 O OE2 . GLU A 1 132 ? -5.489 7.944 -37.418 1.00 57.87 ? 155 GLU A OE2 1 ATOM 690 N N . THR A 1 133 ? -5.452 6.540 -42.347 1.00 26.75 ? 156 THR A N 1 ATOM 691 C CA . THR A 1 133 ? -4.040 6.357 -42.658 1.00 28.35 ? 156 THR A CA 1 ATOM 692 C C . THR A 1 133 ? -3.757 6.006 -44.117 1.00 30.83 ? 156 THR A C 1 ATOM 693 O O . THR A 1 133 ? -2.681 6.353 -44.608 1.00 36.79 ? 156 THR A O 1 ATOM 694 C CB . THR A 1 133 ? -3.458 5.279 -41.740 1.00 35.75 ? 156 THR A CB 1 ATOM 695 O OG1 . THR A 1 133 ? -3.994 4.020 -42.111 1.00 37.03 ? 156 THR A OG1 1 ATOM 696 C CG2 . THR A 1 133 ? -3.869 5.548 -40.286 1.00 36.48 ? 156 THR A CG2 1 ATOM 697 N N . TRP A 1 134 ? -4.659 5.325 -44.831 1.00 29.18 ? 157 TRP A N 1 ATOM 698 C CA . TRP A 1 134 ? -4.378 4.903 -46.202 1.00 32.00 ? 157 TRP A CA 1 ATOM 699 C C . TRP A 1 134 ? -5.106 5.702 -47.269 1.00 31.46 ? 157 TRP A C 1 ATOM 700 O O . TRP A 1 134 ? -5.137 5.245 -48.419 1.00 33.57 ? 157 TRP A O 1 ATOM 701 C CB . TRP A 1 134 ? -4.763 3.444 -46.442 1.00 35.78 ? 157 TRP A CB 1 ATOM 702 C CG . TRP A 1 134 ? -4.241 2.481 -45.499 1.00 32.98 ? 157 TRP A CG 1 ATOM 703 C CD1 . TRP A 1 134 ? -4.924 1.426 -44.959 1.00 35.04 ? 157 TRP A CD1 1 ATOM 704 C CD2 . TRP A 1 134 ? -2.926 2.429 -44.955 1.00 30.18 ? 157 TRP A CD2 1 ATOM 705 N NE1 . TRP A 1 134 ? -4.115 0.739 -44.091 1.00 38.33 ? 157 TRP A NE1 1 ATOM 706 C CE2 . TRP A 1 134 ? -2.878 1.325 -44.085 1.00 34.21 ? 157 TRP A CE2 1 ATOM 707 C CE3 . TRP A 1 134 ? -1.782 3.213 -45.107 1.00 38.36 ? 157 TRP A CE3 1 ATOM 708 C CZ2 . TRP A 1 134 ? -1.749 0.995 -43.375 1.00 32.96 ? 157 TRP A CZ2 1 ATOM 709 C CZ3 . TRP A 1 134 ? -0.661 2.886 -44.413 1.00 40.93 ? 157 TRP A CZ3 1 ATOM 710 C CH2 . TRP A 1 134 ? -0.640 1.785 -43.560 1.00 41.63 ? 157 TRP A CH2 1 ATOM 711 N N . ASP A 1 135 ? -5.731 6.837 -46.930 1.00 31.08 ? 158 ASP A N 1 ATOM 712 C CA . ASP A 1 135 ? -6.633 7.474 -47.894 1.00 35.90 ? 158 ASP A CA 1 ATOM 713 C C . ASP A 1 135 ? -5.929 7.751 -49.226 1.00 34.88 ? 158 ASP A C 1 ATOM 714 O O . ASP A 1 135 ? -6.538 7.582 -50.289 1.00 34.86 ? 158 ASP A O 1 ATOM 715 C CB . ASP A 1 135 ? -7.260 8.749 -47.308 1.00 31.35 ? 158 ASP A CB 1 ATOM 716 C CG . ASP A 1 135 ? -6.228 9.764 -46.849 1.00 40.78 ? 158 ASP A CG 1 ATOM 717 O OD1 . ASP A 1 135 ? -5.038 9.419 -46.790 1.00 40.77 ? 158 ASP A OD1 1 ATOM 718 O OD2 . ASP A 1 135 ? -6.605 10.911 -46.520 1.00 47.96 ? 158 ASP A OD2 1 ATOM 719 N N . THR A 1 136 ? -4.630 8.103 -49.198 1.00 35.65 ? 159 THR A N 1 ATOM 720 C CA . THR A 1 136 ? -3.908 8.374 -50.452 1.00 38.21 ? 159 THR A CA 1 ATOM 721 C C . THR A 1 136 ? -3.633 7.120 -51.266 1.00 38.80 ? 159 THR A C 1 ATOM 722 O O . THR A 1 136 ? -3.247 7.240 -52.436 1.00 40.95 ? 159 THR A O 1 ATOM 723 C CB . THR A 1 136 ? -2.552 9.086 -50.238 1.00 41.15 ? 159 THR A CB 1 ATOM 724 O OG1 . THR A 1 136 ? -1.618 8.220 -49.579 1.00 42.83 ? 159 THR A OG1 1 ATOM 725 C CG2 . THR A 1 136 ? -2.704 10.354 -49.442 1.00 39.67 ? 159 THR A CG2 1 ATOM 726 N N . LEU A 1 137 ? -3.791 5.935 -50.690 1.00 37.17 ? 160 LEU A N 1 ATOM 727 C CA . LEU A 1 137 ? -3.711 4.696 -51.451 1.00 37.68 ? 160 LEU A CA 1 ATOM 728 C C . LEU A 1 137 ? -5.035 4.332 -52.117 1.00 37.02 ? 160 LEU A C 1 ATOM 729 O O . LEU A 1 137 ? -5.107 3.319 -52.817 1.00 37.53 ? 160 LEU A O 1 ATOM 730 C CB . LEU A 1 137 ? -3.253 3.558 -50.540 1.00 36.50 ? 160 LEU A CB 1 ATOM 731 C CG . LEU A 1 137 ? -1.766 3.202 -50.441 1.00 43.04 ? 160 LEU A CG 1 ATOM 732 C CD1 . LEU A 1 137 ? -0.835 4.347 -50.880 1.00 40.96 ? 160 LEU A CD1 1 ATOM 733 C CD2 . LEU A 1 137 ? -1.430 2.721 -49.038 1.00 36.51 ? 160 LEU A CD2 1 ATOM 734 N N . MET A 1 138 ? -6.071 5.141 -51.925 1.00 36.11 ? 161 MET A N 1 ATOM 735 C CA . MET A 1 138 ? -7.412 4.845 -52.428 1.00 35.43 ? 161 MET A CA 1 ATOM 736 C C . MET A 1 138 ? -7.944 6.109 -53.087 1.00 36.62 ? 161 MET A C 1 ATOM 737 O O . MET A 1 138 ? -8.799 6.816 -52.538 1.00 35.55 ? 161 MET A O 1 ATOM 738 C CB . MET A 1 138 ? -8.325 4.364 -51.297 1.00 32.84 ? 161 MET A CB 1 ATOM 739 C CG . MET A 1 138 ? -7.828 3.122 -50.543 1.00 31.74 ? 161 MET A CG 1 ATOM 740 S SD . MET A 1 138 ? -8.927 2.548 -49.228 1.00 28.95 ? 161 MET A SD 1 ATOM 741 C CE . MET A 1 138 ? -8.559 3.719 -47.913 1.00 31.89 ? 161 MET A CE 1 ATOM 742 N N . PRO A 1 139 ? -7.394 6.467 -54.256 1.00 39.08 ? 162 PRO A N 1 ATOM 743 C CA . PRO A 1 139 ? -7.717 7.788 -54.844 1.00 40.61 ? 162 PRO A CA 1 ATOM 744 C C . PRO A 1 139 ? -9.204 8.069 -55.006 1.00 39.87 ? 162 PRO A C 1 ATOM 745 O O . PRO A 1 139 ? -9.633 9.202 -54.750 1.00 40.03 ? 162 PRO A O 1 ATOM 746 C CB . PRO A 1 139 ? -7.017 7.778 -56.224 1.00 43.47 ? 162 PRO A CB 1 ATOM 747 C CG . PRO A 1 139 ? -6.517 6.363 -56.416 1.00 43.30 ? 162 PRO A CG 1 ATOM 748 C CD . PRO A 1 139 ? -6.354 5.788 -55.041 1.00 40.86 ? 162 PRO A CD 1 ATOM 749 N N . ASN A 1 140 ? -10.009 7.067 -55.366 1.00 39.14 ? 163 ASN A N 1 ATOM 750 C CA . ASN A 1 140 ? -11.419 7.323 -55.641 1.00 38.81 ? 163 ASN A CA 1 ATOM 751 C C . ASN A 1 140 ? -12.189 7.619 -54.360 1.00 36.51 ? 163 ASN A C 1 ATOM 752 O O . ASN A 1 140 ? -12.958 8.586 -54.300 1.00 36.73 ? 163 ASN A O 1 ATOM 753 C CB . ASN A 1 140 ? -12.026 6.145 -56.405 1.00 38.89 ? 163 ASN A CB 1 ATOM 754 C CG . ASN A 1 140 ? -11.492 6.048 -57.834 1.00 41.62 ? 163 ASN A CG 1 ATOM 755 O OD1 . ASN A 1 140 ? -11.827 6.858 -58.692 1.00 43.50 ? 163 ASN A OD1 1 ATOM 756 N ND2 . ASN A 1 140 ? -10.632 5.070 -58.077 1.00 42.03 ? 163 ASN A ND2 1 ATOM 757 N N . ILE A 1 141 ? -11.970 6.807 -53.316 1.00 34.48 ? 164 ILE A N 1 ATOM 758 C CA . ILE A 1 141 ? -12.591 7.051 -52.021 1.00 32.40 ? 164 ILE A CA 1 ATOM 759 C C . ILE A 1 141 ? -12.125 8.381 -51.439 1.00 32.81 ? 164 ILE A C 1 ATOM 760 O O . ILE A 1 141 ? -12.908 9.114 -50.826 1.00 32.11 ? 164 ILE A O 1 ATOM 761 C CB . ILE A 1 141 ? -12.305 5.863 -51.075 1.00 36.71 ? 164 ILE A CB 1 ATOM 762 C CG1 . ILE A 1 141 ? -12.945 4.575 -51.629 1.00 36.25 ? 164 ILE A CG1 1 ATOM 763 C CG2 . ILE A 1 141 ? -12.783 6.147 -49.644 1.00 28.53 ? 164 ILE A CG2 1 ATOM 764 C CD1 . ILE A 1 141 ? -12.519 3.294 -50.869 1.00 32.37 ? 164 ILE A CD1 1 ATOM 765 N N . ASN A 1 142 ? -10.844 8.721 -51.634 1.00 34.13 ? 165 ASN A N 1 ATOM 766 C CA . ASN A 1 142 ? -10.310 9.968 -51.096 1.00 34.75 ? 165 ASN A CA 1 ATOM 767 C C . ASN A 1 142 ? -10.950 11.186 -51.764 1.00 36.36 ? 165 ASN A C 1 ATOM 768 O O . ASN A 1 142 ? -11.227 12.188 -51.101 1.00 36.23 ? 165 ASN A O 1 ATOM 769 C CB . ASN A 1 142 ? -8.785 9.983 -51.267 1.00 36.10 ? 165 ASN A CB 1 ATOM 770 C CG . ASN A 1 142 ? -8.080 10.916 -50.288 1.00 36.12 ? 165 ASN A CG 1 ATOM 771 O OD1 . ASN A 1 142 ? -7.011 11.445 -50.586 1.00 49.04 ? 165 ASN A OD1 1 ATOM 772 N ND2 . ASN A 1 142 ? -8.665 11.126 -49.137 1.00 34.34 ? 165 ASN A ND2 1 ATOM 773 N N . LYS A 1 143 ? -11.206 11.088 -53.067 1.00 38.09 ? 166 LYS A N 1 ATOM 774 C CA . LYS A 1 143 ? -11.864 12.172 -53.779 1.00 39.79 ? 166 LYS A CA 1 ATOM 775 C C . LYS A 1 143 ? -13.182 12.321 -53.040 1.00 38.37 ? 166 LYS A C 1 ATOM 776 O O . LYS A 1 143 ? -13.458 13.355 -52.431 1.00 38.88 ? 166 LYS A O 1 ATOM 777 C CB . LYS A 1 143 ? -12.106 11.797 -55.239 1.00 41.97 ? 166 LYS A CB 1 ATOM 778 C CG . LYS A 1 143 ? -12.725 12.908 -56.072 1.00 43.84 ? 166 LYS A CG 1 ATOM 779 C CD . LYS A 1 143 ? -12.599 12.620 -57.559 1.00 49.16 ? 166 LYS A CD 1 ATOM 780 C CE . LYS A 1 143 ? -13.560 13.472 -58.370 1.00 49.00 ? 166 LYS A CE 1 ATOM 781 N NZ . LYS A 1 143 ? -13.706 14.840 -57.801 1.00 55.06 ? 166 LYS A NZ 1 ATOM 782 N N . LEU A 1 144 ? -13.986 11.263 -53.086 1.00 41.27 ? 167 LEU A N 1 ATOM 783 C CA . LEU A 1 144 ? -15.252 11.220 -52.370 1.00 38.62 ? 167 LEU A CA 1 ATOM 784 C C . LEU A 1 144 ? -15.119 11.848 -50.991 1.00 39.38 ? 167 LEU A C 1 ATOM 785 O O . LEU A 1 144 ? -15.928 12.691 -50.593 1.00 35.91 ? 167 LEU A O 1 ATOM 786 C CB . LEU A 1 144 ? -15.697 9.772 -52.268 1.00 37.06 ? 167 LEU A CB 1 ATOM 787 C CG . LEU A 1 144 ? -17.191 9.549 -52.252 1.00 39.68 ? 167 LEU A CG 1 ATOM 788 C CD1 . LEU A 1 144 ? -17.807 10.233 -53.462 1.00 37.69 ? 167 LEU A CD1 1 ATOM 789 C CD2 . LEU A 1 144 ? -17.459 8.049 -52.221 1.00 40.08 ? 167 LEU A CD2 1 ATOM 790 N N . LYS A 1 145 ? -14.091 11.447 -50.241 1.00 39.16 ? 168 LYS A N 1 ATOM 791 C CA . LYS A 1 145 ? -13.880 12.035 -48.923 1.00 38.95 ? 168 LYS A CA 1 ATOM 792 C C . LYS A 1 145 ? -13.603 13.531 -49.021 1.00 47.46 ? 168 LYS A C 1 ATOM 793 O O . LYS A 1 145 ? -14.080 14.316 -48.191 1.00 50.56 ? 168 LYS A O 1 ATOM 794 C CB . LYS A 1 145 ? -12.727 11.328 -48.212 1.00 37.32 ? 168 LYS A CB 1 ATOM 795 C CG . LYS A 1 145 ? -12.487 11.868 -46.805 1.00 37.97 ? 168 LYS A CG 1 ATOM 796 C CD . LYS A 1 145 ? -11.525 10.982 -46.028 1.00 41.74 ? 168 LYS A CD 1 ATOM 797 C CE . LYS A 1 145 ? -10.153 10.974 -46.631 1.00 39.53 ? 168 LYS A CE 1 ATOM 798 N NZ . LYS A 1 145 ? -9.322 12.200 -46.411 1.00 43.17 ? 168 LYS A NZ 1 ATOM 799 N N . THR A 1 146 ? -12.834 13.943 -50.030 1.00 38.36 ? 169 THR A N 1 ATOM 800 C CA . THR A 1 146 ? -12.492 15.354 -50.175 1.00 41.62 ? 169 THR A CA 1 ATOM 801 C C . THR A 1 146 ? -13.711 16.196 -50.540 1.00 38.74 ? 169 THR A C 1 ATOM 802 O O . THR A 1 146 ? -13.868 17.310 -50.032 1.00 39.98 ? 169 THR A O 1 ATOM 803 C CB . THR A 1 146 ? -11.383 15.514 -51.225 1.00 43.01 ? 169 THR A CB 1 ATOM 804 O OG1 . THR A 1 146 ? -10.393 14.502 -51.020 1.00 43.17 ? 169 THR A OG1 1 ATOM 805 C CG2 . THR A 1 146 ? -10.709 16.900 -51.150 1.00 42.04 ? 169 THR A CG2 1 ATOM 806 N N . CYS A 1 147 ? -14.584 15.689 -51.411 1.00 42.72 ? 170 CYS A N 1 ATOM 807 C CA . CYS A 1 147 ? -15.575 16.545 -52.064 1.00 41.73 ? 170 CYS A CA 1 ATOM 808 C C . CYS A 1 147 ? -16.947 16.459 -51.411 1.00 41.26 ? 170 CYS A C 1 ATOM 809 O O . CYS A 1 147 ? -17.703 17.439 -51.407 1.00 40.42 ? 170 CYS A O 1 ATOM 810 C CB . CYS A 1 147 ? -15.712 16.175 -53.544 1.00 44.07 ? 170 CYS A CB 1 ATOM 811 S SG . CYS A 1 147 ? -14.241 16.436 -54.590 1.00 51.15 ? 170 CYS A SG 1 ATOM 812 N N . GLY A 1 148 ? -17.268 15.315 -50.827 1.00 37.64 ? 171 GLY A N 1 ATOM 813 C CA . GLY A 1 148 ? -18.558 15.074 -50.247 1.00 35.53 ? 171 GLY A CA 1 ATOM 814 C C . GLY A 1 148 ? -18.588 15.365 -48.762 1.00 33.95 ? 171 GLY A C 1 ATOM 815 O O . GLY A 1 148 ? -17.882 16.250 -48.255 1.00 34.55 ? 171 GLY A O 1 ATOM 816 N N . THR A 1 149 ? -19.450 14.635 -48.077 1.00 32.10 ? 172 THR A N 1 ATOM 817 C CA . THR A 1 149 ? -19.621 14.683 -46.635 1.00 30.45 ? 172 THR A CA 1 ATOM 818 C C . THR A 1 149 ? -19.106 13.358 -46.077 1.00 32.18 ? 172 THR A C 1 ATOM 819 O O . THR A 1 149 ? -19.483 12.291 -46.573 1.00 34.52 ? 172 THR A O 1 ATOM 820 C CB . THR A 1 149 ? -21.103 14.886 -46.256 1.00 33.20 ? 172 THR A CB 1 ATOM 821 O OG1 . THR A 1 149 ? -21.577 16.168 -46.694 1.00 32.57 ? 172 THR A OG1 1 ATOM 822 C CG2 . THR A 1 149 ? -21.290 14.766 -44.763 1.00 30.43 ? 172 THR A CG2 1 ATOM 823 N N . HIS A 1 150 ? -18.230 13.417 -45.075 1.00 27.49 ? 173 HIS A N 1 ATOM 824 C CA . HIS A 1 150 ? -17.729 12.204 -44.443 1.00 25.68 ? 173 HIS A CA 1 ATOM 825 C C . HIS A 1 150 ? -17.698 12.394 -42.942 1.00 24.47 ? 173 HIS A C 1 ATOM 826 O O . HIS A 1 150 ? -17.546 13.508 -42.443 1.00 30.49 ? 173 HIS A O 1 ATOM 827 C CB . HIS A 1 150 ? -16.328 11.788 -44.958 1.00 29.92 ? 173 HIS A CB 1 ATOM 828 C CG . HIS A 1 150 ? -15.169 12.536 -44.351 1.00 33.32 ? 173 HIS A CG 1 ATOM 829 N ND1 . HIS A 1 150 ? -14.723 13.746 -44.840 1.00 36.72 ? 173 HIS A ND1 1 ATOM 830 C CD2 . HIS A 1 150 ? -14.316 12.198 -43.352 1.00 27.22 ? 173 HIS A CD2 1 ATOM 831 C CE1 . HIS A 1 150 ? -13.662 14.137 -44.153 1.00 40.84 ? 173 HIS A CE1 1 ATOM 832 N NE2 . HIS A 1 150 ? -13.381 13.206 -43.255 1.00 45.52 ? 173 HIS A NE2 1 ATOM 833 N N . ALA A 1 151 ? -17.876 11.292 -42.230 1.00 24.84 ? 174 ALA A N 1 ATOM 834 C CA . ALA A 1 151 ? -17.778 11.289 -40.781 1.00 24.87 ? 174 ALA A CA 1 ATOM 835 C C . ALA A 1 151 ? -16.387 10.832 -40.378 1.00 22.09 ? 174 ALA A C 1 ATOM 836 O O . ALA A 1 151 ? -15.728 10.086 -41.104 1.00 23.07 ? 174 ALA A O 1 ATOM 837 C CB . ALA A 1 151 ? -18.814 10.366 -40.158 1.00 22.47 ? 174 ALA A CB 1 ATOM 838 N N . LYS A 1 152 ? -15.955 11.287 -39.209 1.00 21.14 ? 175 LYS A N 1 ATOM 839 C CA . LYS A 1 152 ? -14.698 10.806 -38.650 1.00 23.76 ? 175 LYS A CA 1 ATOM 840 C C . LYS A 1 152 ? -14.721 9.295 -38.510 1.00 23.23 ? 175 LYS A C 1 ATOM 841 O O . LYS A 1 152 ? -13.715 8.629 -38.764 1.00 24.36 ? 175 LYS A O 1 ATOM 842 C CB . LYS A 1 152 ? -14.436 11.492 -37.313 1.00 31.40 ? 175 LYS A CB 1 ATOM 843 C CG . LYS A 1 152 ? -14.054 12.956 -37.482 1.00 40.87 ? 175 LYS A CG 1 ATOM 844 C CD . LYS A 1 152 ? -13.877 13.659 -36.159 1.00 49.84 ? 175 LYS A CD 1 ATOM 845 C CE . LYS A 1 152 ? -13.362 15.072 -36.374 1.00 61.62 ? 175 LYS A CE 1 ATOM 846 N NZ . LYS A 1 152 ? -13.298 15.846 -35.102 1.00 64.05 ? 175 LYS A NZ 1 ATOM 847 N N . TYR A 1 153 ? -15.876 8.737 -38.154 1.00 18.73 ? 176 TYR A N 1 ATOM 848 C CA . TYR A 1 153 ? -16.121 7.302 -38.202 1.00 17.71 ? 176 TYR A CA 1 ATOM 849 C C . TYR A 1 153 ? -17.603 7.090 -37.950 1.00 19.20 ? 176 TYR A C 1 ATOM 850 O O . TYR A 1 153 ? -18.315 8.014 -37.547 1.00 21.01 ? 176 TYR A O 1 ATOM 851 C CB . TYR A 1 153 ? -15.265 6.535 -37.181 1.00 19.42 ? 176 TYR A CB 1 ATOM 852 C CG . TYR A 1 153 ? -15.604 6.724 -35.718 1.00 20.69 ? 176 TYR A CG 1 ATOM 853 C CD1 . TYR A 1 153 ? -16.664 6.028 -35.143 1.00 17.48 ? 176 TYR A CD1 1 ATOM 854 C CD2 . TYR A 1 153 ? -14.824 7.532 -34.897 1.00 20.97 ? 176 TYR A CD2 1 ATOM 855 C CE1 . TYR A 1 153 ? -16.977 6.161 -33.821 1.00 21.95 ? 176 TYR A CE1 1 ATOM 856 C CE2 . TYR A 1 153 ? -15.116 7.660 -33.543 1.00 23.15 ? 176 TYR A CE2 1 ATOM 857 C CZ . TYR A 1 153 ? -16.205 6.970 -33.014 1.00 25.10 ? 176 TYR A CZ 1 ATOM 858 O OH . TYR A 1 153 ? -16.543 7.074 -31.684 1.00 23.30 ? 176 TYR A OH 1 ATOM 859 N N . MET A 1 154 ? -18.068 5.870 -38.226 1.00 18.07 ? 177 MET A N 1 ATOM 860 C CA . MET A 1 154 ? -19.424 5.441 -37.930 1.00 20.34 ? 177 MET A CA 1 ATOM 861 C C . MET A 1 154 ? -19.352 4.275 -36.960 1.00 23.34 ? 177 MET A C 1 ATOM 862 O O . MET A 1 154 ? -18.598 3.317 -37.184 1.00 19.25 ? 177 MET A O 1 ATOM 863 C CB . MET A 1 154 ? -20.183 5.028 -39.199 1.00 20.49 ? 177 MET A CB 1 ATOM 864 C CG . MET A 1 154 ? -21.682 4.897 -38.956 1.00 22.22 ? 177 MET A CG 1 ATOM 865 S SD . MET A 1 154 ? -22.624 4.185 -40.324 1.00 19.53 ? 177 MET A SD 1 ATOM 866 C CE . MET A 1 154 ? -21.699 2.676 -40.609 1.00 17.31 ? 177 MET A CE 1 ATOM 867 N N . ARG A 1 155 ? -20.094 4.377 -35.863 1.00 17.64 ? 178 ARG A N 1 ATOM 868 C CA . ARG A 1 155 ? -20.044 3.339 -34.849 1.00 18.31 ? 178 ARG A CA 1 ATOM 869 C C . ARG A 1 155 ? -21.033 2.242 -35.217 1.00 15.28 ? 178 ARG A C 1 ATOM 870 O O . ARG A 1 155 ? -22.149 2.518 -35.674 1.00 14.61 ? 178 ARG A O 1 ATOM 871 C CB . ARG A 1 155 ? -20.351 3.928 -33.468 1.00 16.94 ? 178 ARG A CB 1 ATOM 872 C CG . ARG A 1 155 ? -20.245 2.914 -32.281 1.00 19.36 ? 178 ARG A CG 1 ATOM 873 C CD . ARG A 1 155 ? -20.313 3.602 -30.909 1.00 19.15 ? 178 ARG A CD 1 ATOM 874 N NE . ARG A 1 155 ? -19.546 4.823 -30.889 1.00 18.91 ? 178 ARG A NE 1 ATOM 875 C CZ . ARG A 1 155 ? -20.034 6.059 -30.814 1.00 15.02 ? 178 ARG A CZ 1 ATOM 876 N NH1 . ARG A 1 155 ? -21.335 6.292 -30.668 1.00 18.40 ? 178 ARG A NH1 1 ATOM 877 N NH2 . ARG A 1 155 ? -19.183 7.086 -30.861 1.00 18.10 ? 178 ARG A NH2 1 ATOM 878 N N . ALA A 1 156 ? -20.595 0.992 -35.077 1.00 14.55 ? 179 ALA A N 1 ATOM 879 C CA . ALA A 1 156 ? -21.428 -0.172 -35.352 1.00 17.27 ? 179 ALA A CA 1 ATOM 880 C C . ALA A 1 156 ? -22.285 -0.493 -34.117 1.00 18.90 ? 179 ALA A C 1 ATOM 881 O O . ALA A 1 156 ? -22.184 0.163 -33.082 1.00 17.26 ? 179 ALA A O 1 ATOM 882 C CB . ALA A 1 156 ? -20.544 -1.362 -35.742 1.00 19.86 ? 179 ALA A CB 1 ATOM 883 N N . VAL A 1 157 ? -23.137 -1.515 -34.210 1.00 17.06 ? 180 VAL A N 1 ATOM 884 C CA . VAL A 1 157 ? -23.831 -2.014 -33.043 1.00 15.44 ? 180 VAL A CA 1 ATOM 885 C C . VAL A 1 157 ? -23.155 -3.297 -32.606 1.00 14.42 ? 180 VAL A C 1 ATOM 886 O O . VAL A 1 157 ? -22.437 -3.957 -33.372 1.00 14.87 ? 180 VAL A O 1 ATOM 887 C CB . VAL A 1 157 ? -25.332 -2.280 -33.255 1.00 17.59 ? 180 VAL A CB 1 ATOM 888 C CG1 . VAL A 1 157 ? -26.136 -0.961 -33.468 1.00 15.95 ? 180 VAL A CG1 1 ATOM 889 C CG2 . VAL A 1 157 ? -25.508 -3.322 -34.404 1.00 14.01 ? 180 VAL A CG2 1 ATOM 890 N N . TYR A 1 158 ? -23.433 -3.678 -31.353 1.00 15.80 ? 181 TYR A N 1 ATOM 891 C CA . TYR A 1 158 ? -22.892 -4.900 -30.760 1.00 16.41 ? 181 TYR A CA 1 ATOM 892 C C . TYR A 1 158 ? -23.867 -6.061 -30.980 1.00 15.87 ? 181 TYR A C 1 ATOM 893 O O . TYR A 1 158 ? -25.091 -5.876 -30.863 1.00 19.28 ? 181 TYR A O 1 ATOM 894 C CB . TYR A 1 158 ? -22.629 -4.693 -29.248 1.00 21.73 ? 181 TYR A CB 1 ATOM 895 C CG . TYR A 1 158 ? -21.920 -5.845 -28.585 1.00 21.58 ? 181 TYR A CG 1 ATOM 896 C CD1 . TYR A 1 158 ? -20.527 -5.978 -28.682 1.00 20.15 ? 181 TYR A CD1 1 ATOM 897 C CD2 . TYR A 1 158 ? -22.637 -6.810 -27.880 1.00 15.37 ? 181 TYR A CD2 1 ATOM 898 C CE1 . TYR A 1 158 ? -19.860 -7.053 -28.110 1.00 23.08 ? 181 TYR A CE1 1 ATOM 899 C CE2 . TYR A 1 158 ? -21.983 -7.898 -27.292 1.00 16.43 ? 181 TYR A CE2 1 ATOM 900 C CZ . TYR A 1 158 ? -20.594 -7.993 -27.410 1.00 23.23 ? 181 TYR A CZ 1 ATOM 901 O OH . TYR A 1 158 ? -19.966 -9.048 -26.840 1.00 20.26 ? 181 TYR A OH 1 ATOM 902 N N . PRO A 1 159 ? -23.343 -7.261 -31.276 1.00 13.99 ? 182 PRO A N 1 ATOM 903 C CA . PRO A 1 159 ? -21.908 -7.528 -31.485 1.00 16.92 ? 182 PRO A CA 1 ATOM 904 C C . PRO A 1 159 ? -21.512 -7.068 -32.891 1.00 17.31 ? 182 PRO A C 1 ATOM 905 O O . PRO A 1 159 ? -22.363 -7.095 -33.786 1.00 16.21 ? 182 PRO A O 1 ATOM 906 C CB . PRO A 1 159 ? -21.803 -9.051 -31.315 1.00 18.15 ? 182 PRO A CB 1 ATOM 907 C CG . PRO A 1 159 ? -23.138 -9.534 -31.812 1.00 21.08 ? 182 PRO A CG 1 ATOM 908 C CD . PRO A 1 159 ? -24.152 -8.480 -31.433 1.00 16.49 ? 182 PRO A CD 1 ATOM 909 N N . THR A 1 160 ? -20.252 -6.646 -33.069 1.00 17.23 ? 183 THR A N 1 ATOM 910 C CA . THR A 1 160 ? -19.791 -6.058 -34.330 1.00 15.84 ? 183 THR A CA 1 ATOM 911 C C . THR A 1 160 ? -19.547 -7.146 -35.387 1.00 19.83 ? 183 THR A C 1 ATOM 912 O O . THR A 1 160 ? -18.419 -7.433 -35.810 1.00 17.82 ? 183 THR A O 1 ATOM 913 C CB . THR A 1 160 ? -18.578 -5.169 -34.059 1.00 18.27 ? 183 THR A CB 1 ATOM 914 O OG1 . THR A 1 160 ? -17.583 -5.865 -33.294 1.00 19.52 ? 183 THR A OG1 1 ATOM 915 C CG2 . THR A 1 160 ? -19.025 -3.934 -33.258 1.00 13.90 ? 183 THR A CG2 1 ATOM 916 N N . LYS A 1 161 ? -20.671 -7.726 -35.849 1.00 22.47 ? 184 LYS A N 1 ATOM 917 C CA . LYS A 1 161 ? -20.774 -8.828 -36.806 1.00 22.58 ? 184 LYS A CA 1 ATOM 918 C C . LYS A 1 161 ? -21.521 -8.388 -38.062 1.00 19.25 ? 184 LYS A C 1 ATOM 919 O O . LYS A 1 161 ? -22.270 -7.413 -38.047 1.00 20.84 ? 184 LYS A O 1 ATOM 920 C CB . LYS A 1 161 ? -21.502 -10.023 -36.184 1.00 23.62 ? 184 LYS A CB 1 ATOM 921 C CG . LYS A 1 161 ? -20.813 -10.570 -34.937 1.00 22.18 ? 184 LYS A CG 1 ATOM 922 C CD . LYS A 1 161 ? -19.501 -11.174 -35.262 1.00 21.39 ? 184 LYS A CD 1 ATOM 923 C CE . LYS A 1 161 ? -18.947 -11.970 -34.065 1.00 32.42 ? 184 LYS A CE 1 ATOM 924 N NZ . LYS A 1 161 ? -19.644 -13.252 -33.815 1.00 30.97 ? 184 LYS A NZ 1 ATOM 925 N N . THR A 1 162 ? -21.349 -9.161 -39.147 1.00 20.72 ? 185 THR A N 1 ATOM 926 C CA . THR A 1 162 ? -21.788 -8.713 -40.473 1.00 21.86 ? 185 THR A CA 1 ATOM 927 C C . THR A 1 162 ? -23.316 -8.682 -40.592 1.00 20.20 ? 185 THR A C 1 ATOM 928 O O . THR A 1 162 ? -23.898 -7.665 -40.999 1.00 22.69 ? 185 THR A O 1 ATOM 929 C CB . THR A 1 162 ? -21.174 -9.592 -41.574 1.00 20.93 ? 185 THR A CB 1 ATOM 930 O OG1 . THR A 1 162 ? -19.766 -9.297 -41.714 1.00 23.78 ? 185 THR A OG1 1 ATOM 931 C CG2 . THR A 1 162 ? -21.854 -9.320 -42.891 1.00 17.29 ? 185 THR A CG2 1 ATOM 932 N N . PHE A 1 163 ? -23.995 -9.786 -40.269 1.00 18.73 ? 186 PHE A N 1 ATOM 933 C CA . PHE A 1 163 ? -25.448 -9.800 -40.465 1.00 21.95 ? 186 PHE A CA 1 ATOM 934 C C . PHE A 1 163 ? -26.129 -8.860 -39.480 1.00 21.41 ? 186 PHE A C 1 ATOM 935 O O . PHE A 1 163 ? -27.083 -8.159 -39.838 1.00 20.07 ? 186 PHE A O 1 ATOM 936 C CB . PHE A 1 163 ? -26.009 -11.229 -40.336 1.00 20.45 ? 186 PHE A CB 1 ATOM 937 C CG . PHE A 1 163 ? -26.126 -11.969 -41.661 1.00 25.81 ? 186 PHE A CG 1 ATOM 938 C CD1 . PHE A 1 163 ? -25.040 -12.047 -42.527 1.00 24.53 ? 186 PHE A CD1 1 ATOM 939 C CD2 . PHE A 1 163 ? -27.307 -12.583 -42.029 1.00 28.18 ? 186 PHE A CD2 1 ATOM 940 C CE1 . PHE A 1 163 ? -25.119 -12.709 -43.725 1.00 25.14 ? 186 PHE A CE1 1 ATOM 941 C CE2 . PHE A 1 163 ? -27.406 -13.262 -43.249 1.00 30.65 ? 186 PHE A CE2 1 ATOM 942 C CZ . PHE A 1 163 ? -26.297 -13.324 -44.102 1.00 34.01 ? 186 PHE A CZ 1 ATOM 943 N N . VAL A 1 164 ? -25.636 -8.836 -38.236 1.00 17.39 ? 187 VAL A N 1 ATOM 944 C CA . VAL A 1 164 ? -26.173 -7.936 -37.212 1.00 20.01 ? 187 VAL A CA 1 ATOM 945 C C . VAL A 1 164 ? -26.173 -6.506 -37.728 1.00 19.07 ? 187 VAL A C 1 ATOM 946 O O . VAL A 1 164 ? -27.197 -5.803 -37.715 1.00 18.07 ? 187 VAL A O 1 ATOM 947 C CB . VAL A 1 164 ? -25.334 -8.043 -35.921 1.00 16.53 ? 187 VAL A CB 1 ATOM 948 C CG1 . VAL A 1 164 ? -25.850 -7.076 -34.866 1.00 14.76 ? 187 VAL A CG1 1 ATOM 949 C CG2 . VAL A 1 164 ? -25.233 -9.514 -35.426 1.00 15.44 ? 187 VAL A CG2 1 ATOM 950 N N . ASN A 1 165 ? -25.016 -6.062 -38.213 1.00 17.13 ? 188 ASN A N 1 ATOM 951 C CA . ASN A 1 165 ? -24.845 -4.652 -38.536 1.00 13.57 ? 188 ASN A CA 1 ATOM 952 C C . ASN A 1 165 ? -25.454 -4.282 -39.888 1.00 13.94 ? 188 ASN A C 1 ATOM 953 O O . ASN A 1 165 ? -26.037 -3.205 -40.025 1.00 19.78 ? 188 ASN A O 1 ATOM 954 C CB . ASN A 1 165 ? -23.349 -4.304 -38.473 1.00 16.16 ? 188 ASN A CB 1 ATOM 955 C CG . ASN A 1 165 ? -22.951 -3.960 -37.085 1.00 19.05 ? 188 ASN A CG 1 ATOM 956 O OD1 . ASN A 1 165 ? -22.551 -4.822 -36.297 1.00 18.11 ? 188 ASN A OD1 1 ATOM 957 N ND2 . ASN A 1 165 ? -23.149 -2.717 -36.736 1.00 14.15 ? 188 ASN A ND2 1 ATOM 958 N N . HIS A 1 166 ? -25.336 -5.120 -40.912 1.00 14.96 ? 189 HIS A N 1 ATOM 959 C CA . HIS A 1 166 ? -26.056 -4.758 -42.135 1.00 16.81 ? 189 HIS A CA 1 ATOM 960 C C . HIS A 1 166 ? -27.557 -4.672 -41.891 1.00 16.73 ? 189 HIS A C 1 ATOM 961 O O . HIS A 1 166 ? -28.240 -3.842 -42.500 1.00 16.88 ? 189 HIS A O 1 ATOM 962 C CB . HIS A 1 166 ? -25.792 -5.745 -43.257 1.00 20.30 ? 189 HIS A CB 1 ATOM 963 C CG . HIS A 1 166 ? -24.423 -5.641 -43.832 1.00 23.81 ? 189 HIS A CG 1 ATOM 964 N ND1 . HIS A 1 166 ? -24.107 -4.805 -44.886 1.00 35.62 ? 189 HIS A ND1 1 ATOM 965 C CD2 . HIS A 1 166 ? -23.283 -6.270 -43.496 1.00 16.94 ? 189 HIS A CD2 1 ATOM 966 C CE1 . HIS A 1 166 ? -22.827 -4.947 -45.185 1.00 17.77 ? 189 HIS A CE1 1 ATOM 967 N NE2 . HIS A 1 166 ? -22.308 -5.816 -44.352 1.00 19.83 ? 189 HIS A NE2 1 ATOM 968 N N . TYR A 1 167 ? -28.112 -5.548 -41.046 1.00 17.91 ? 190 TYR A N 1 ATOM 969 C CA . TYR A 1 167 ? -29.560 -5.455 -40.870 1.00 21.38 ? 190 TYR A CA 1 ATOM 970 C C . TYR A 1 167 ? -29.914 -4.244 -40.023 1.00 16.37 ? 190 TYR A C 1 ATOM 971 O O . TYR A 1 167 ? -30.944 -3.600 -40.263 1.00 18.99 ? 190 TYR A O 1 ATOM 972 C CB . TYR A 1 167 ? -30.147 -6.735 -40.270 1.00 20.27 ? 190 TYR A CB 1 ATOM 973 C CG . TYR A 1 167 ? -31.636 -6.828 -40.540 1.00 16.50 ? 190 TYR A CG 1 ATOM 974 C CD1 . TYR A 1 167 ? -32.130 -6.639 -41.825 1.00 20.58 ? 190 TYR A CD1 1 ATOM 975 C CD2 . TYR A 1 167 ? -32.546 -7.064 -39.507 1.00 18.26 ? 190 TYR A CD2 1 ATOM 976 C CE1 . TYR A 1 167 ? -33.492 -6.703 -42.096 1.00 22.09 ? 190 TYR A CE1 1 ATOM 977 C CE2 . TYR A 1 167 ? -33.942 -7.155 -39.763 1.00 17.36 ? 190 TYR A CE2 1 ATOM 978 C CZ . TYR A 1 167 ? -34.388 -6.952 -41.055 1.00 23.30 ? 190 TYR A CZ 1 ATOM 979 O OH . TYR A 1 167 ? -35.717 -7.005 -41.322 1.00 19.39 ? 190 TYR A OH 1 ATOM 980 N N . THR A 1 168 ? -29.065 -3.900 -39.042 1.00 16.57 ? 191 THR A N 1 ATOM 981 C CA . THR A 1 168 ? -29.290 -2.657 -38.301 1.00 16.60 ? 191 THR A CA 1 ATOM 982 C C . THR A 1 168 ? -29.257 -1.446 -39.236 1.00 17.42 ? 191 THR A C 1 ATOM 983 O O . THR A 1 168 ? -30.099 -0.546 -39.133 1.00 15.15 ? 191 THR A O 1 ATOM 984 C CB . THR A 1 168 ? -28.265 -2.508 -37.165 1.00 18.02 ? 191 THR A CB 1 ATOM 985 O OG1 . THR A 1 168 ? -28.684 -3.246 -36.009 1.00 19.72 ? 191 THR A OG1 1 ATOM 986 C CG2 . THR A 1 168 ? -28.116 -1.040 -36.743 1.00 18.74 ? 191 THR A CG2 1 ATOM 987 N N . ILE A 1 169 ? -28.313 -1.417 -40.180 1.00 14.90 ? 192 ILE A N 1 ATOM 988 C CA . ILE A 1 169 ? -28.183 -0.247 -41.056 1.00 15.65 ? 192 ILE A CA 1 ATOM 989 C C . ILE A 1 169 ? -29.486 0.042 -41.822 1.00 17.49 ? 192 ILE A C 1 ATOM 990 O O . ILE A 1 169 ? -29.923 1.207 -41.934 1.00 17.54 ? 192 ILE A O 1 ATOM 991 C CB . ILE A 1 169 ? -26.975 -0.424 -42.004 1.00 16.73 ? 192 ILE A CB 1 ATOM 992 C CG1 . ILE A 1 169 ? -25.644 -0.202 -41.240 1.00 15.18 ? 192 ILE A CG1 1 ATOM 993 C CG2 . ILE A 1 169 ? -27.093 0.554 -43.207 1.00 17.16 ? 192 ILE A CG2 1 ATOM 994 C CD1 . ILE A 1 169 ? -24.408 -0.977 -41.833 1.00 15.29 ? 192 ILE A CD1 1 ATOM 995 N N . VAL A 1 170 ? -30.147 -1.003 -42.339 1.00 17.85 ? 193 VAL A N 1 ATOM 996 C CA . VAL A 1 170 ? -31.342 -0.794 -43.149 1.00 22.13 ? 193 VAL A CA 1 ATOM 997 C C . VAL A 1 170 ? -32.639 -0.779 -42.328 1.00 23.96 ? 193 VAL A C 1 ATOM 998 O O . VAL A 1 170 ? -33.711 -0.568 -42.902 1.00 23.88 ? 193 VAL A O 1 ATOM 999 C CB . VAL A 1 170 ? -31.425 -1.849 -44.276 1.00 22.52 ? 193 VAL A CB 1 ATOM 1000 C CG1 . VAL A 1 170 ? -30.256 -1.663 -45.256 1.00 19.42 ? 193 VAL A CG1 1 ATOM 1001 C CG2 . VAL A 1 170 ? -31.489 -3.265 -43.716 1.00 18.42 ? 193 VAL A CG2 1 ATOM 1002 N N . THR A 1 171 ? -32.575 -0.968 -40.995 1.00 21.33 ? 194 THR A N 1 ATOM 1003 C CA . THR A 1 171 ? -33.775 -0.883 -40.174 1.00 20.29 ? 194 THR A CA 1 ATOM 1004 C C . THR A 1 171 ? -33.748 0.192 -39.111 1.00 19.09 ? 194 THR A C 1 ATOM 1005 O O . THR A 1 171 ? -34.813 0.498 -38.567 1.00 21.19 ? 194 THR A O 1 ATOM 1006 C CB . THR A 1 171 ? -34.048 -2.206 -39.451 1.00 17.10 ? 194 THR A CB 1 ATOM 1007 O OG1 . THR A 1 171 ? -32.928 -2.495 -38.596 1.00 15.93 ? 194 THR A OG1 1 ATOM 1008 C CG2 . THR A 1 171 ? -34.306 -3.367 -40.462 1.00 17.72 ? 194 THR A CG2 1 ATOM 1009 N N . GLY A 1 172 ? -32.581 0.740 -38.763 1.00 18.88 ? 195 GLY A N 1 ATOM 1010 C CA . GLY A 1 172 ? -32.496 1.676 -37.667 1.00 18.90 ? 195 GLY A CA 1 ATOM 1011 C C . GLY A 1 172 ? -32.679 1.048 -36.302 1.00 23.13 ? 195 GLY A C 1 ATOM 1012 O O . GLY A 1 172 ? -32.942 1.767 -35.335 1.00 17.99 ? 195 GLY A O 1 ATOM 1013 N N . LEU A 1 173 ? -32.536 -0.279 -36.188 1.00 16.95 ? 196 LEU A N 1 ATOM 1014 C CA . LEU A 1 173 ? -32.868 -0.978 -34.957 1.00 17.48 ? 196 LEU A CA 1 ATOM 1015 C C . LEU A 1 173 ? -31.640 -1.599 -34.308 1.00 14.52 ? 196 LEU A C 1 ATOM 1016 O O . LEU A 1 173 ? -30.767 -2.145 -34.991 1.00 16.72 ? 196 LEU A O 1 ATOM 1017 C CB . LEU A 1 173 ? -33.900 -2.083 -35.204 1.00 18.89 ? 196 LEU A CB 1 ATOM 1018 C CG . LEU A 1 173 ? -35.305 -1.608 -35.639 1.00 23.99 ? 196 LEU A CG 1 ATOM 1019 C CD1 . LEU A 1 173 ? -36.131 -2.794 -36.119 1.00 19.98 ? 196 LEU A CD1 1 ATOM 1020 C CD2 . LEU A 1 173 ? -36.077 -0.760 -34.581 1.00 18.51 ? 196 LEU A CD2 1 ATOM 1021 N N . TYR A 1 174 ? -31.611 -1.540 -32.976 1.00 16.18 ? 197 TYR A N 1 ATOM 1022 C CA . TYR A 1 174 ? -30.706 -2.390 -32.201 1.00 16.70 ? 197 TYR A CA 1 ATOM 1023 C C . TYR A 1 174 ? -30.961 -3.862 -32.497 1.00 14.42 ? 197 TYR A C 1 ATOM 1024 O O . TYR A 1 174 ? -32.091 -4.275 -32.750 1.00 16.35 ? 197 TYR A O 1 ATOM 1025 C CB . TYR A 1 174 ? -30.896 -2.139 -30.711 1.00 16.45 ? 197 TYR A CB 1 ATOM 1026 C CG . TYR A 1 174 ? -30.593 -0.713 -30.277 1.00 17.49 ? 197 TYR A CG 1 ATOM 1027 C CD1 . TYR A 1 174 ? -29.319 -0.190 -30.426 1.00 15.90 ? 197 TYR A CD1 1 ATOM 1028 C CD2 . TYR A 1 174 ? -31.571 0.092 -29.719 1.00 17.37 ? 197 TYR A CD2 1 ATOM 1029 C CE1 . TYR A 1 174 ? -29.004 1.098 -30.039 1.00 12.57 ? 197 TYR A CE1 1 ATOM 1030 C CE2 . TYR A 1 174 ? -31.284 1.369 -29.317 1.00 16.73 ? 197 TYR A CE2 1 ATOM 1031 C CZ . TYR A 1 174 ? -30.000 1.877 -29.477 1.00 13.60 ? 197 TYR A CZ 1 ATOM 1032 O OH . TYR A 1 174 ? -29.783 3.140 -29.057 1.00 13.57 ? 197 TYR A OH 1 ATOM 1033 N N . ALA A 1 175 ? -29.894 -4.667 -32.423 1.00 16.94 ? 198 ALA A N 1 ATOM 1034 C CA . ALA A 1 175 ? -30.023 -6.092 -32.708 1.00 19.76 ? 198 ALA A CA 1 ATOM 1035 C C . ALA A 1 175 ? -31.056 -6.764 -31.790 1.00 18.28 ? 198 ALA A C 1 ATOM 1036 O O . ALA A 1 175 ? -31.779 -7.666 -32.230 1.00 18.60 ? 198 ALA A O 1 ATOM 1037 C CB . ALA A 1 175 ? -28.647 -6.776 -32.594 1.00 12.59 ? 198 ALA A CB 1 ATOM 1038 N N . GLU A 1 176 ? -31.124 -6.365 -30.503 1.00 20.41 ? 199 GLU A N 1 ATOM 1039 C CA . GLU A 1 176 ? -32.106 -6.994 -29.608 1.00 17.00 ? 199 GLU A CA 1 ATOM 1040 C C . GLU A 1 176 ? -33.525 -6.786 -30.124 1.00 22.11 ? 199 GLU A C 1 ATOM 1041 O O . GLU A 1 176 ? -34.419 -7.597 -29.829 1.00 18.96 ? 199 GLU A O 1 ATOM 1042 C CB . GLU A 1 176 ? -31.993 -6.454 -28.153 1.00 15.12 ? 199 GLU A CB 1 ATOM 1043 C CG . GLU A 1 176 ? -32.204 -4.942 -28.033 1.00 16.67 ? 199 GLU A CG 1 ATOM 1044 C CD . GLU A 1 176 ? -32.264 -4.363 -26.610 1.00 19.96 ? 199 GLU A CD 1 ATOM 1045 O OE1 . GLU A 1 176 ? -31.928 -5.042 -25.595 1.00 19.23 ? 199 GLU A OE1 1 ATOM 1046 O OE2 . GLU A 1 176 ? -32.631 -3.169 -26.534 1.00 22.63 ? 199 GLU A OE2 1 ATOM 1047 N N . THR A 1 177 ? -33.756 -5.725 -30.903 1.00 20.97 ? 200 THR A N 1 ATOM 1048 C CA . THR A 1 177 ? -35.105 -5.566 -31.447 1.00 19.41 ? 200 THR A CA 1 ATOM 1049 C C . THR A 1 177 ? -35.261 -6.227 -32.817 1.00 19.22 ? 200 THR A C 1 ATOM 1050 O O . THR A 1 177 ? -36.247 -6.938 -33.029 1.00 18.47 ? 200 THR A O 1 ATOM 1051 C CB . THR A 1 177 ? -35.494 -4.083 -31.528 1.00 21.66 ? 200 THR A CB 1 ATOM 1052 O OG1 . THR A 1 177 ? -35.556 -3.546 -30.201 1.00 20.47 ? 200 THR A OG1 1 ATOM 1053 C CG2 . THR A 1 177 ? -36.884 -3.924 -32.202 1.00 18.68 ? 200 THR A CG2 1 ATOM 1054 N N . HIS A 1 178 ? -34.309 -6.045 -33.759 1.00 20.17 ? 201 HIS A N 1 ATOM 1055 C CA . HIS A 1 178 ? -34.560 -6.641 -35.068 1.00 19.75 ? 201 HIS A CA 1 ATOM 1056 C C . HIS A 1 178 ? -34.398 -8.155 -35.046 1.00 22.12 ? 201 HIS A C 1 ATOM 1057 O O . HIS A 1 178 ? -35.023 -8.842 -35.868 1.00 22.06 ? 201 HIS A O 1 ATOM 1058 C CB . HIS A 1 178 ? -33.732 -5.976 -36.192 1.00 18.04 ? 201 HIS A CB 1 ATOM 1059 C CG . HIS A 1 178 ? -32.226 -6.041 -36.063 1.00 16.44 ? 201 HIS A CG 1 ATOM 1060 N ND1 . HIS A 1 178 ? -31.519 -7.226 -35.991 1.00 15.64 ? 201 HIS A ND1 1 ATOM 1061 C CD2 . HIS A 1 178 ? -31.293 -5.056 -36.126 1.00 14.07 ? 201 HIS A CD2 1 ATOM 1062 C CE1 . HIS A 1 178 ? -30.219 -6.965 -35.990 1.00 16.37 ? 201 HIS A CE1 1 ATOM 1063 N NE2 . HIS A 1 178 ? -30.055 -5.654 -36.073 1.00 16.35 ? 201 HIS A NE2 1 ATOM 1064 N N . GLY A 1 179 ? -33.667 -8.702 -34.064 1.00 24.13 ? 202 GLY A N 1 ATOM 1065 C CA . GLY A 1 179 ? -33.633 -10.137 -33.834 1.00 15.94 ? 202 GLY A CA 1 ATOM 1066 C C . GLY A 1 179 ? -32.415 -10.852 -34.382 1.00 20.77 ? 202 GLY A C 1 ATOM 1067 O O . GLY A 1 179 ? -32.169 -12.008 -33.999 1.00 20.50 ? 202 GLY A O 1 ATOM 1068 N N . ILE A 1 180 ? -31.650 -10.213 -35.273 1.00 15.91 ? 203 ILE A N 1 ATOM 1069 C CA . ILE A 1 180 ? -30.416 -10.814 -35.757 1.00 17.86 ? 203 ILE A CA 1 ATOM 1070 C C . ILE A 1 180 ? -29.325 -10.444 -34.759 1.00 20.27 ? 203 ILE A C 1 ATOM 1071 O O . ILE A 1 180 ? -28.610 -9.454 -34.944 1.00 19.78 ? 203 ILE A O 1 ATOM 1072 C CB . ILE A 1 180 ? -30.044 -10.356 -37.183 1.00 19.47 ? 203 ILE A CB 1 ATOM 1073 C CG1 . ILE A 1 180 ? -31.228 -10.521 -38.153 1.00 22.10 ? 203 ILE A CG1 1 ATOM 1074 C CG2 . ILE A 1 180 ? -28.791 -11.171 -37.688 1.00 17.75 ? 203 ILE A CG2 1 ATOM 1075 C CD1 . ILE A 1 180 ? -31.916 -11.875 -38.107 1.00 19.78 ? 203 ILE A CD1 1 ATOM 1076 N N . ILE A 1 181 ? -29.208 -11.195 -33.664 1.00 17.16 ? 204 ILE A N 1 ATOM 1077 C CA . ILE A 1 181 ? -28.333 -10.708 -32.607 1.00 14.15 ? 204 ILE A CA 1 ATOM 1078 C C . ILE A 1 181 ? -26.908 -11.234 -32.764 1.00 20.73 ? 204 ILE A C 1 ATOM 1079 O O . ILE A 1 181 ? -26.036 -10.843 -31.983 1.00 20.53 ? 204 ILE A O 1 ATOM 1080 C CB . ILE A 1 181 ? -28.896 -11.033 -31.206 1.00 16.12 ? 204 ILE A CB 1 ATOM 1081 C CG1 . ILE A 1 181 ? -29.012 -12.555 -30.981 1.00 20.14 ? 204 ILE A CG1 1 ATOM 1082 C CG2 . ILE A 1 181 ? -30.270 -10.374 -31.018 1.00 15.00 ? 204 ILE A CG2 1 ATOM 1083 C CD1 . ILE A 1 181 ? -27.842 -13.229 -30.227 1.00 18.76 ? 204 ILE A CD1 1 ATOM 1084 N N . ASP A 1 182 ? -26.644 -12.074 -33.765 1.00 20.10 ? 205 ASP A N 1 ATOM 1085 C CA . ASP A 1 182 ? -25.322 -12.662 -33.983 1.00 24.21 ? 205 ASP A CA 1 ATOM 1086 C C . ASP A 1 182 ? -25.403 -13.412 -35.304 1.00 25.98 ? 205 ASP A C 1 ATOM 1087 O O . ASP A 1 182 ? -26.497 -13.703 -35.788 1.00 21.82 ? 205 ASP A O 1 ATOM 1088 C CB . ASP A 1 182 ? -24.920 -13.590 -32.819 1.00 26.92 ? 205 ASP A CB 1 ATOM 1089 C CG . ASP A 1 182 ? -23.440 -14.019 -32.849 1.00 33.22 ? 205 ASP A CG 1 ATOM 1090 O OD1 . ASP A 1 182 ? -22.657 -13.524 -33.695 1.00 31.69 ? 205 ASP A OD1 1 ATOM 1091 O OD2 . ASP A 1 182 ? -23.057 -14.827 -31.972 1.00 24.53 ? 205 ASP A OD2 1 ATOM 1092 N N . ASN A 1 183 ? -24.250 -13.793 -35.843 1.00 24.35 ? 206 ASN A N 1 ATOM 1093 C CA . ASN A 1 183 ? -24.215 -14.575 -37.070 1.00 24.99 ? 206 ASN A CA 1 ATOM 1094 C C . ASN A 1 183 ? -24.595 -16.025 -36.753 1.00 31.28 ? 206 ASN A C 1 ATOM 1095 O O . ASN A 1 183 ? -24.883 -16.816 -37.651 1.00 29.58 ? 206 ASN A O 1 ATOM 1096 C CB . ASN A 1 183 ? -22.828 -14.516 -37.709 1.00 26.76 ? 206 ASN A CB 1 ATOM 1097 C CG . ASN A 1 183 ? -22.507 -13.148 -38.279 1.00 41.09 ? 206 ASN A CG 1 ATOM 1098 O OD1 . ASN A 1 183 ? -23.405 -12.376 -38.616 1.00 32.57 ? 206 ASN A OD1 1 ATOM 1099 N ND2 . ASN A 1 183 ? -21.220 -12.840 -38.389 1.00 38.59 ? 206 ASN A ND2 1 ATOM 1100 N N . ASN A 1 184 ? -24.593 -16.357 -35.462 1.00 28.73 ? 207 ASN A N 1 ATOM 1101 C CA . ASN A 1 184 ? -24.936 -17.687 -34.980 1.00 24.18 ? 207 ASN A CA 1 ATOM 1102 C C . ASN A 1 184 ? -25.772 -17.513 -33.732 1.00 23.56 ? 207 ASN A C 1 ATOM 1103 O O . ASN A 1 184 ? -25.369 -16.787 -32.820 1.00 25.27 ? 207 ASN A O 1 ATOM 1104 C CB . ASN A 1 184 ? -23.680 -18.518 -34.661 1.00 29.55 ? 207 ASN A CB 1 ATOM 1105 C CG . ASN A 1 184 ? -22.817 -18.754 -35.892 1.00 40.24 ? 207 ASN A CG 1 ATOM 1106 O OD1 . ASN A 1 184 ? -23.190 -19.505 -36.794 1.00 44.55 ? 207 ASN A OD1 1 ATOM 1107 N ND2 . ASN A 1 184 ? -21.636 -18.149 -35.910 1.00 37.28 ? 207 ASN A ND2 1 ATOM 1108 N N . MET A 1 185 ? -26.945 -18.133 -33.702 1.00 25.71 ? 208 MET A N 1 ATOM 1109 C CA . MET A 1 185 ? -27.787 -17.989 -32.523 1.00 30.24 ? 208 MET A CA 1 ATOM 1110 C C . MET A 1 185 ? -28.789 -19.124 -32.454 1.00 29.66 ? 208 MET A C 1 ATOM 1111 O O . MET A 1 185 ? -29.056 -19.828 -33.435 1.00 29.89 ? 208 MET A O 1 ATOM 1112 C CB . MET A 1 185 ? -28.505 -16.626 -32.492 1.00 23.87 ? 208 MET A CB 1 ATOM 1113 C CG . MET A 1 185 ? -29.159 -16.249 -33.785 1.00 31.12 ? 208 MET A CG 1 ATOM 1114 S SD . MET A 1 185 ? -29.967 -14.621 -33.812 1.00 23.66 ? 208 MET A SD 1 ATOM 1115 C CE . MET A 1 185 ? -30.471 -14.682 -35.541 1.00 22.66 ? 208 MET A CE 1 ATOM 1116 N N . TYR A 1 186 ? -29.354 -19.273 -31.272 1.00 25.31 ? 209 TYR A N 1 ATOM 1117 C CA . TYR A 1 186 ? -30.426 -20.214 -31.034 1.00 29.90 ? 209 TYR A CA 1 ATOM 1118 C C . TYR A 1 186 ? -31.667 -19.444 -30.579 1.00 27.63 ? 209 TYR A C 1 ATOM 1119 O O . TYR A 1 186 ? -31.560 -18.408 -29.935 1.00 27.23 ? 209 TYR A O 1 ATOM 1120 C CB . TYR A 1 186 ? -29.967 -21.232 -29.996 1.00 28.91 ? 209 TYR A CB 1 ATOM 1121 C CG . TYR A 1 186 ? -31.041 -22.165 -29.577 1.00 31.00 ? 209 TYR A CG 1 ATOM 1122 C CD1 . TYR A 1 186 ? -31.495 -23.156 -30.433 1.00 26.19 ? 209 TYR A CD1 1 ATOM 1123 C CD2 . TYR A 1 186 ? -31.613 -22.059 -28.325 1.00 26.66 ? 209 TYR A CD2 1 ATOM 1124 C CE1 . TYR A 1 186 ? -32.481 -23.999 -30.056 1.00 30.86 ? 209 TYR A CE1 1 ATOM 1125 C CE2 . TYR A 1 186 ? -32.606 -22.910 -27.932 1.00 29.76 ? 209 TYR A CE2 1 ATOM 1126 C CZ . TYR A 1 186 ? -33.047 -23.872 -28.801 1.00 34.61 ? 209 TYR A CZ 1 ATOM 1127 O OH . TYR A 1 186 ? -34.055 -24.719 -28.409 1.00 35.65 ? 209 TYR A OH 1 ATOM 1128 N N . ASP A 1 187 ? -32.852 -19.939 -30.914 1.00 23.31 ? 210 ASP A N 1 ATOM 1129 C CA . ASP A 1 187 ? -34.097 -19.348 -30.425 1.00 23.34 ? 210 ASP A CA 1 ATOM 1130 C C . ASP A 1 187 ? -34.912 -20.468 -29.810 1.00 31.21 ? 210 ASP A C 1 ATOM 1131 O O . ASP A 1 187 ? -35.300 -21.409 -30.511 1.00 30.85 ? 210 ASP A O 1 ATOM 1132 C CB . ASP A 1 187 ? -34.889 -18.670 -31.553 1.00 22.99 ? 210 ASP A CB 1 ATOM 1133 C CG . ASP A 1 187 ? -36.146 -17.956 -31.066 1.00 26.03 ? 210 ASP A CG 1 ATOM 1134 O OD1 . ASP A 1 187 ? -36.976 -18.540 -30.314 1.00 28.44 ? 210 ASP A OD1 1 ATOM 1135 O OD2 . ASP A 1 187 ? -36.302 -16.777 -31.457 1.00 27.27 ? 210 ASP A OD2 1 ATOM 1136 N N . VAL A 1 188 ? -35.178 -20.365 -28.513 1.00 28.94 ? 211 VAL A N 1 ATOM 1137 C CA . VAL A 1 188 ? -35.876 -21.436 -27.811 1.00 29.79 ? 211 VAL A CA 1 ATOM 1138 C C . VAL A 1 188 ? -37.370 -21.447 -28.131 1.00 35.26 ? 211 VAL A C 1 ATOM 1139 O O . VAL A 1 188 ? -38.004 -22.513 -28.103 1.00 35.94 ? 211 VAL A O 1 ATOM 1140 C CB . VAL A 1 188 ? -35.622 -21.318 -26.300 1.00 29.49 ? 211 VAL A CB 1 ATOM 1141 C CG1 . VAL A 1 188 ? -36.476 -20.186 -25.700 1.00 26.48 ? 211 VAL A CG1 1 ATOM 1142 C CG2 . VAL A 1 188 ? -35.879 -22.659 -25.601 1.00 29.10 ? 211 VAL A CG2 1 ATOM 1143 N N . LYS A 1 189 ? -37.960 -20.284 -28.425 1.00 34.51 ? 212 LYS A N 1 ATOM 1144 C CA . LYS A 1 189 ? -39.365 -20.250 -28.815 1.00 34.35 ? 212 LYS A CA 1 ATOM 1145 C C . LYS A 1 189 ? -39.561 -20.956 -30.146 1.00 28.35 ? 212 LYS A C 1 ATOM 1146 O O . LYS A 1 189 ? -40.449 -21.789 -30.296 1.00 30.98 ? 212 LYS A O 1 ATOM 1147 C CB . LYS A 1 189 ? -39.855 -18.803 -28.898 1.00 30.40 ? 212 LYS A CB 1 ATOM 1148 C CG . LYS A 1 189 ? -39.586 -18.034 -27.653 1.00 33.97 ? 212 LYS A CG 1 ATOM 1149 C CD . LYS A 1 189 ? -40.377 -18.550 -26.469 1.00 42.60 ? 212 LYS A CD 1 ATOM 1150 C CE . LYS A 1 189 ? -41.209 -17.438 -25.872 1.00 48.74 ? 212 LYS A CE 1 ATOM 1151 N NZ . LYS A 1 189 ? -40.356 -16.228 -25.636 1.00 46.65 ? 212 LYS A NZ 1 ATOM 1152 N N . LEU A 1 190 ? -38.729 -20.620 -31.130 1.00 34.36 ? 213 LEU A N 1 ATOM 1153 C CA . LEU A 1 190 ? -38.723 -21.338 -32.396 1.00 33.77 ? 213 LEU A CA 1 ATOM 1154 C C . LEU A 1 190 ? -38.150 -22.734 -32.252 1.00 34.60 ? 213 LEU A C 1 ATOM 1155 O O . LEU A 1 190 ? -38.448 -23.597 -33.085 1.00 39.31 ? 213 LEU A O 1 ATOM 1156 C CB . LEU A 1 190 ? -37.889 -20.559 -33.416 1.00 33.37 ? 213 LEU A CB 1 ATOM 1157 C CG . LEU A 1 190 ? -38.344 -19.147 -33.779 1.00 37.33 ? 213 LEU A CG 1 ATOM 1158 C CD1 . LEU A 1 190 ? -37.421 -18.552 -34.855 1.00 27.51 ? 213 LEU A CD1 1 ATOM 1159 C CD2 . LEU A 1 190 ? -39.806 -19.177 -34.263 1.00 33.63 ? 213 LEU A CD2 1 ATOM 1160 N N . ASN A 1 191 ? -37.345 -22.963 -31.214 1.00 37.57 ? 214 ASN A N 1 ATOM 1161 C CA . ASN A 1 191 ? -36.448 -24.112 -31.099 1.00 36.57 ? 214 ASN A CA 1 ATOM 1162 C C . ASN A 1 191 ? -35.721 -24.319 -32.424 1.00 38.19 ? 214 ASN A C 1 ATOM 1163 O O . ASN A 1 191 ? -35.813 -25.360 -33.077 1.00 34.73 ? 214 ASN A O 1 ATOM 1164 C CB . ASN A 1 191 ? -37.206 -25.360 -30.641 1.00 32.04 ? 214 ASN A CB 1 ATOM 1165 C CG . ASN A 1 191 ? -36.318 -26.597 -30.518 1.00 42.08 ? 214 ASN A CG 1 ATOM 1166 O OD1 . ASN A 1 191 ? -35.078 -26.517 -30.440 1.00 40.91 ? 214 ASN A OD1 1 ATOM 1167 N ND2 . ASN A 1 191 ? -36.963 -27.758 -30.476 1.00 40.40 ? 214 ASN A ND2 1 ATOM 1168 N N . GLN A 1 192 ? -35.004 -23.282 -32.837 1.00 33.86 ? 215 GLN A N 1 ATOM 1169 C CA . GLN A 1 192 ? -34.320 -23.343 -34.113 1.00 31.50 ? 215 GLN A CA 1 ATOM 1170 C C . GLN A 1 192 ? -32.976 -22.653 -34.011 1.00 36.00 ? 215 GLN A C 1 ATOM 1171 O O . GLN A 1 192 ? -32.814 -21.653 -33.296 1.00 31.48 ? 215 GLN A O 1 ATOM 1172 C CB . GLN A 1 192 ? -35.166 -22.710 -35.215 1.00 38.69 ? 215 GLN A CB 1 ATOM 1173 C CG . GLN A 1 192 ? -34.670 -22.973 -36.611 1.00 45.94 ? 215 GLN A CG 1 ATOM 1174 C CD . GLN A 1 192 ? -35.445 -22.171 -37.642 1.00 51.84 ? 215 GLN A CD 1 ATOM 1175 O OE1 . GLN A 1 192 ? -34.872 -21.649 -38.605 1.00 52.21 ? 215 GLN A OE1 1 ATOM 1176 N NE2 . GLN A 1 192 ? -36.757 -22.058 -37.437 1.00 52.21 ? 215 GLN A NE2 1 ATOM 1177 N N . ASN A 1 193 ? -32.018 -23.193 -34.751 1.00 33.51 ? 216 ASN A N 1 ATOM 1178 C CA . ASN A 1 193 ? -30.704 -22.594 -34.877 1.00 33.47 ? 216 ASN A CA 1 ATOM 1179 C C . ASN A 1 193 ? -30.634 -21.728 -36.123 1.00 33.18 ? 216 ASN A C 1 ATOM 1180 O O . ASN A 1 193 ? -31.266 -22.023 -37.141 1.00 36.46 ? 216 ASN A O 1 ATOM 1181 C CB . ASN A 1 193 ? -29.621 -23.669 -34.934 1.00 36.91 ? 216 ASN A CB 1 ATOM 1182 C CG . ASN A 1 193 ? -29.551 -24.440 -33.667 1.00 41.92 ? 216 ASN A CG 1 ATOM 1183 O OD1 . ASN A 1 193 ? -29.242 -23.854 -32.620 1.00 40.74 ? 216 ASN A OD1 1 ATOM 1184 N ND2 . ASN A 1 193 ? -29.856 -25.748 -33.721 1.00 52.09 ? 216 ASN A ND2 1 ATOM 1185 N N . PHE A 1 194 ? -29.855 -20.658 -36.025 1.00 28.66 ? 217 PHE A N 1 ATOM 1186 C CA . PHE A 1 194 ? -29.577 -19.752 -37.128 1.00 32.53 ? 217 PHE A CA 1 ATOM 1187 C C . PHE A 1 194 ? -28.080 -19.787 -37.429 1.00 36.81 ? 217 PHE A C 1 ATOM 1188 O O . PHE A 1 194 ? -27.266 -19.754 -36.502 1.00 38.39 ? 217 PHE A O 1 ATOM 1189 C CB . PHE A 1 194 ? -30.037 -18.342 -36.742 1.00 24.27 ? 217 PHE A CB 1 ATOM 1190 C CG . PHE A 1 194 ? -29.833 -17.284 -37.807 1.00 25.03 ? 217 PHE A CG 1 ATOM 1191 C CD1 . PHE A 1 194 ? -28.589 -16.715 -38.025 1.00 24.52 ? 217 PHE A CD1 1 ATOM 1192 C CD2 . PHE A 1 194 ? -30.916 -16.808 -38.540 1.00 31.37 ? 217 PHE A CD2 1 ATOM 1193 C CE1 . PHE A 1 194 ? -28.426 -15.710 -38.971 1.00 30.22 ? 217 PHE A CE1 1 ATOM 1194 C CE2 . PHE A 1 194 ? -30.762 -15.816 -39.489 1.00 25.34 ? 217 PHE A CE2 1 ATOM 1195 C CZ . PHE A 1 194 ? -29.529 -15.256 -39.707 1.00 26.42 ? 217 PHE A CZ 1 ATOM 1196 N N . SER A 1 195 ? -27.712 -19.853 -38.716 1.00 36.88 ? 218 SER A N 1 ATOM 1197 C CA . SER A 1 195 ? -26.300 -19.808 -39.105 1.00 41.07 ? 218 SER A CA 1 ATOM 1198 C C . SER A 1 195 ? -26.097 -19.135 -40.467 1.00 45.33 ? 218 SER A C 1 ATOM 1199 O O . SER A 1 195 ? -27.023 -19.009 -41.272 1.00 47.76 ? 218 SER A O 1 ATOM 1200 C CB . SER A 1 195 ? -25.705 -21.214 -39.133 1.00 45.45 ? 218 SER A CB 1 ATOM 1201 O OG . SER A 1 195 ? -26.206 -21.943 -40.251 1.00 47.08 ? 218 SER A OG 1 ATOM 1202 N N . LEU A 1 196 ? -24.848 -18.720 -40.732 1.00 42.89 ? 219 LEU A N 1 ATOM 1203 C CA . LEU A 1 196 ? -24.518 -18.107 -42.023 1.00 50.49 ? 219 LEU A CA 1 ATOM 1204 C C . LEU A 1 196 ? -24.438 -19.128 -43.151 1.00 60.01 ? 219 LEU A C 1 ATOM 1205 O O . LEU A 1 196 ? -24.574 -18.752 -44.324 1.00 60.78 ? 219 LEU A O 1 ATOM 1206 C CB . LEU A 1 196 ? -23.190 -17.346 -41.955 1.00 50.59 ? 219 LEU A CB 1 ATOM 1207 C CG . LEU A 1 196 ? -23.158 -16.037 -41.149 1.00 52.72 ? 219 LEU A CG 1 ATOM 1208 C CD1 . LEU A 1 196 ? -21.907 -15.216 -41.474 1.00 48.67 ? 219 LEU A CD1 1 ATOM 1209 C CD2 . LEU A 1 196 ? -24.431 -15.213 -41.362 1.00 47.87 ? 219 LEU A CD2 1 ATOM 1210 N N . SER A 1 197 ? -24.213 -20.397 -42.826 1.00 59.23 ? 220 SER A N 1 ATOM 1211 C CA . SER A 1 197 ? -24.163 -21.488 -43.798 1.00 63.01 ? 220 SER A CA 1 ATOM 1212 C C . SER A 1 197 ? -25.258 -22.486 -43.442 1.00 62.42 ? 220 SER A C 1 ATOM 1213 O O . SER A 1 197 ? -24.981 -23.613 -43.017 1.00 65.14 ? 220 SER A O 1 ATOM 1214 C CB . SER A 1 197 ? -22.785 -22.156 -43.810 1.00 68.61 ? 220 SER A CB 1 ATOM 1215 O OG . SER A 1 197 ? -21.764 -21.253 -43.617 1.00 70.82 ? 220 SER A OG 1 ATOM 1216 N N . GLY A 1 198 ? -26.503 -22.049 -43.586 1.00 65.81 ? 221 GLY A N 1 ATOM 1217 C CA . GLY A 1 198 ? -27.660 -22.892 -43.365 1.00 58.38 ? 221 GLY A CA 1 ATOM 1218 C C . GLY A 1 198 ? -28.836 -22.220 -44.025 1.00 51.58 ? 221 GLY A C 1 ATOM 1219 O O . GLY A 1 198 ? -28.810 -21.017 -44.287 1.00 51.24 ? 221 GLY A O 1 ATOM 1220 N N . SER A 1 199 ? -29.857 -23.006 -44.325 1.00 55.33 ? 222 SER A N 1 ATOM 1221 C CA . SER A 1 199 ? -31.057 -22.435 -44.926 1.00 56.28 ? 222 SER A CA 1 ATOM 1222 C C . SER A 1 199 ? -32.055 -21.923 -43.890 1.00 51.42 ? 222 SER A C 1 ATOM 1223 O O . SER A 1 199 ? -33.047 -21.278 -44.262 1.00 48.42 ? 222 SER A O 1 ATOM 1224 C CB . SER A 1 199 ? -31.732 -23.466 -45.836 1.00 57.02 ? 222 SER A CB 1 ATOM 1225 O OG . SER A 1 199 ? -31.990 -24.657 -45.119 1.00 58.40 ? 222 SER A OG 1 ATOM 1226 N N . ASN A 1 200 ? -31.828 -22.191 -42.602 1.00 47.55 ? 223 ASN A N 1 ATOM 1227 C CA . ASN A 1 200 ? -32.693 -21.590 -41.596 1.00 46.51 ? 223 ASN A CA 1 ATOM 1228 C C . ASN A 1 200 ? -32.597 -20.079 -41.651 1.00 38.38 ? 223 ASN A C 1 ATOM 1229 O O . ASN A 1 200 ? -33.557 -19.382 -41.312 1.00 43.66 ? 223 ASN A O 1 ATOM 1230 C CB . ASN A 1 200 ? -32.334 -22.093 -40.199 1.00 47.57 ? 223 ASN A CB 1 ATOM 1231 C CG . ASN A 1 200 ? -32.579 -23.587 -40.032 1.00 55.21 ? 223 ASN A CG 1 ATOM 1232 O OD1 . ASN A 1 200 ? -32.816 -24.308 -41.006 1.00 56.37 ? 223 ASN A OD1 1 ATOM 1233 N ND2 . ASN A 1 200 ? -32.502 -24.062 -38.792 1.00 54.32 ? 223 ASN A ND2 1 ATOM 1234 N N . MET A 1 201 ? -31.460 -19.557 -42.107 1.00 31.94 ? 224 MET A N 1 ATOM 1235 C CA . MET A 1 201 ? -31.274 -18.117 -42.121 1.00 39.25 ? 224 MET A CA 1 ATOM 1236 C C . MET A 1 201 ? -32.232 -17.418 -43.066 1.00 40.69 ? 224 MET A C 1 ATOM 1237 O O . MET A 1 201 ? -32.492 -16.225 -42.884 1.00 35.50 ? 224 MET A O 1 ATOM 1238 C CB . MET A 1 201 ? -29.842 -17.766 -42.497 1.00 39.96 ? 224 MET A CB 1 ATOM 1239 C CG . MET A 1 201 ? -29.459 -18.135 -43.884 1.00 47.20 ? 224 MET A CG 1 ATOM 1240 S SD . MET A 1 201 ? -28.095 -17.102 -44.440 1.00 66.19 ? 224 MET A SD 1 ATOM 1241 C CE . MET A 1 201 ? -29.020 -15.672 -45.003 1.00 58.20 ? 224 MET A CE 1 ATOM 1242 N N . ARG A 1 202 ? -32.749 -18.115 -44.076 1.00 35.54 ? 225 ARG A N 1 ATOM 1243 C CA . ARG A 1 202 ? -33.713 -17.516 -44.986 1.00 40.28 ? 225 ARG A CA 1 ATOM 1244 C C . ARG A 1 202 ? -35.143 -17.608 -44.465 1.00 42.33 ? 225 ARG A C 1 ATOM 1245 O O . ARG A 1 202 ? -36.081 -17.211 -45.173 1.00 44.83 ? 225 ARG A O 1 ATOM 1246 C CB . ARG A 1 202 ? -33.589 -18.162 -46.374 1.00 47.82 ? 225 ARG A CB 1 ATOM 1247 C CG . ARG A 1 202 ? -32.587 -17.429 -47.255 1.00 52.57 ? 225 ARG A CG 1 ATOM 1248 C CD . ARG A 1 202 ? -32.445 -18.053 -48.634 1.00 60.25 ? 225 ARG A CD 1 ATOM 1249 N NE . ARG A 1 202 ? -31.818 -19.370 -48.559 1.00 67.09 ? 225 ARG A NE 1 ATOM 1250 C CZ . ARG A 1 202 ? -30.526 -19.576 -48.309 1.00 68.83 ? 225 ARG A CZ 1 ATOM 1251 N NH1 . ARG A 1 202 ? -29.707 -18.549 -48.101 1.00 66.71 ? 225 ARG A NH1 1 ATOM 1252 N NH2 . ARG A 1 202 ? -30.055 -20.817 -48.262 1.00 71.46 ? 225 ARG A NH2 1 ATOM 1253 N N . ASN A 1 203 ? -35.326 -18.114 -43.246 1.00 38.84 ? 226 ASN A N 1 ATOM 1254 C CA . ASN A 1 203 ? -36.642 -18.183 -42.629 1.00 37.10 ? 226 ASN A CA 1 ATOM 1255 C C . ASN A 1 203 ? -37.030 -16.816 -42.082 1.00 29.07 ? 226 ASN A C 1 ATOM 1256 O O . ASN A 1 203 ? -36.316 -16.242 -41.246 1.00 28.34 ? 226 ASN A O 1 ATOM 1257 C CB . ASN A 1 203 ? -36.660 -19.234 -41.519 1.00 39.08 ? 226 ASN A CB 1 ATOM 1258 C CG . ASN A 1 203 ? -38.049 -19.448 -40.938 1.00 42.92 ? 226 ASN A CG 1 ATOM 1259 O OD1 . ASN A 1 203 ? -38.823 -18.501 -40.773 1.00 35.79 ? 226 ASN A OD1 1 ATOM 1260 N ND2 . ASN A 1 203 ? -38.375 -20.703 -40.633 1.00 54.19 ? 226 ASN A ND2 1 ATOM 1261 N N . ALA A 1 204 ? -38.186 -16.316 -42.524 1.00 27.16 ? 227 ALA A N 1 ATOM 1262 C CA . ALA A 1 204 ? -38.591 -14.960 -42.174 1.00 29.98 ? 227 ALA A CA 1 ATOM 1263 C C . ALA A 1 204 ? -38.814 -14.782 -40.674 1.00 28.08 ? 227 ALA A C 1 ATOM 1264 O O . ALA A 1 204 ? -38.770 -13.652 -40.181 1.00 26.07 ? 227 ALA A O 1 ATOM 1265 C CB . ALA A 1 204 ? -39.862 -14.582 -42.963 1.00 31.57 ? 227 ALA A CB 1 ATOM 1266 N N . ALA A 1 205 ? -39.051 -15.868 -39.937 1.00 28.50 ? 228 ALA A N 1 ATOM 1267 C CA . ALA A 1 205 ? -39.308 -15.751 -38.505 1.00 27.04 ? 228 ALA A CA 1 ATOM 1268 C C . ALA A 1 205 ? -38.149 -15.112 -37.742 1.00 26.07 ? 228 ALA A C 1 ATOM 1269 O O . ALA A 1 205 ? -38.362 -14.579 -36.650 1.00 28.19 ? 228 ALA A O 1 ATOM 1270 C CB . ALA A 1 205 ? -39.634 -17.134 -37.927 1.00 30.19 ? 228 ALA A CB 1 ATOM 1271 N N . TRP A 1 206 ? -36.932 -15.126 -38.295 1.00 23.64 ? 229 TRP A N 1 ATOM 1272 C CA . TRP A 1 206 ? -35.787 -14.518 -37.627 1.00 22.46 ? 229 TRP A CA 1 ATOM 1273 C C . TRP A 1 206 ? -35.754 -13.002 -37.768 1.00 27.28 ? 229 TRP A C 1 ATOM 1274 O O . TRP A 1 206 ? -35.155 -12.326 -36.929 1.00 21.31 ? 229 TRP A O 1 ATOM 1275 C CB . TRP A 1 206 ? -34.482 -15.093 -38.191 1.00 21.75 ? 229 TRP A CB 1 ATOM 1276 C CG . TRP A 1 206 ? -34.285 -16.528 -37.839 1.00 28.11 ? 229 TRP A CG 1 ATOM 1277 C CD1 . TRP A 1 206 ? -34.531 -17.608 -38.638 1.00 33.18 ? 229 TRP A CD1 1 ATOM 1278 C CD2 . TRP A 1 206 ? -33.833 -17.050 -36.581 1.00 28.34 ? 229 TRP A CD2 1 ATOM 1279 N NE1 . TRP A 1 206 ? -34.246 -18.769 -37.958 1.00 32.55 ? 229 TRP A NE1 1 ATOM 1280 C CE2 . TRP A 1 206 ? -33.822 -18.456 -36.693 1.00 33.65 ? 229 TRP A CE2 1 ATOM 1281 C CE3 . TRP A 1 206 ? -33.422 -16.464 -35.379 1.00 26.14 ? 229 TRP A CE3 1 ATOM 1282 C CZ2 . TRP A 1 206 ? -33.416 -19.288 -35.648 1.00 28.61 ? 229 TRP A CZ2 1 ATOM 1283 C CZ3 . TRP A 1 206 ? -33.035 -17.282 -34.345 1.00 26.01 ? 229 TRP A CZ3 1 ATOM 1284 C CH2 . TRP A 1 206 ? -33.037 -18.686 -34.483 1.00 27.62 ? 229 TRP A CH2 1 ATOM 1285 N N . TRP A 1 207 ? -36.378 -12.445 -38.812 1.00 28.16 ? 230 TRP A N 1 ATOM 1286 C CA . TRP A 1 207 ? -36.038 -11.092 -39.264 1.00 28.55 ? 230 TRP A CA 1 ATOM 1287 C C . TRP A 1 207 ? -37.162 -10.127 -38.896 1.00 22.12 ? 230 TRP A C 1 ATOM 1288 O O . TRP A 1 207 ? -38.209 -10.115 -39.539 1.00 21.26 ? 230 TRP A O 1 ATOM 1289 C CB . TRP A 1 207 ? -35.793 -11.096 -40.764 1.00 24.57 ? 230 TRP A CB 1 ATOM 1290 C CG . TRP A 1 207 ? -34.684 -11.985 -41.179 1.00 23.79 ? 230 TRP A CG 1 ATOM 1291 C CD1 . TRP A 1 207 ? -34.737 -13.346 -41.387 1.00 23.44 ? 230 TRP A CD1 1 ATOM 1292 C CD2 . TRP A 1 207 ? -33.353 -11.575 -41.511 1.00 21.80 ? 230 TRP A CD2 1 ATOM 1293 N NE1 . TRP A 1 207 ? -33.496 -13.795 -41.807 1.00 24.16 ? 230 TRP A NE1 1 ATOM 1294 C CE2 . TRP A 1 207 ? -32.635 -12.728 -41.877 1.00 22.07 ? 230 TRP A CE2 1 ATOM 1295 C CE3 . TRP A 1 207 ? -32.692 -10.333 -41.516 1.00 22.56 ? 230 TRP A CE3 1 ATOM 1296 C CZ2 . TRP A 1 207 ? -31.296 -12.677 -42.254 1.00 23.34 ? 230 TRP A CZ2 1 ATOM 1297 C CZ3 . TRP A 1 207 ? -31.371 -10.287 -41.887 1.00 18.37 ? 230 TRP A CZ3 1 ATOM 1298 C CH2 . TRP A 1 207 ? -30.685 -11.444 -42.246 1.00 30.13 ? 230 TRP A CH2 1 ATOM 1299 N N . GLY A 1 208 ? -36.938 -9.312 -37.860 1.00 23.87 ? 231 GLY A N 1 ATOM 1300 C CA . GLY A 1 208 ? -37.953 -8.378 -37.395 1.00 28.76 ? 231 GLY A CA 1 ATOM 1301 C C . GLY A 1 208 ? -37.789 -6.995 -38.021 1.00 26.12 ? 231 GLY A C 1 ATOM 1302 O O . GLY A 1 208 ? -36.908 -6.758 -38.835 1.00 25.57 ? 231 GLY A O 1 ATOM 1303 N N . GLY A 1 209 ? -38.682 -6.075 -37.640 1.00 23.60 ? 232 GLY A N 1 ATOM 1304 C CA . GLY A 1 209 ? -38.546 -4.687 -38.061 1.00 25.22 ? 232 GLY A CA 1 ATOM 1305 C C . GLY A 1 209 ? -38.877 -4.511 -39.538 1.00 24.48 ? 232 GLY A C 1 ATOM 1306 O O . GLY A 1 209 ? -39.408 -5.394 -40.181 1.00 21.53 ? 232 GLY A O 1 ATOM 1307 N N . GLN A 1 210 ? -38.513 -3.353 -40.085 1.00 20.76 ? 233 GLN A N 1 ATOM 1308 C CA . GLN A 1 210 ? -38.857 -3.032 -41.472 1.00 24.82 ? 233 GLN A CA 1 ATOM 1309 C C . GLN A 1 210 ? -37.648 -2.496 -42.240 1.00 25.03 ? 233 GLN A C 1 ATOM 1310 O O . GLN A 1 210 ? -37.280 -1.321 -42.082 1.00 25.45 ? 233 GLN A O 1 ATOM 1311 C CB . GLN A 1 210 ? -40.016 -2.033 -41.515 1.00 23.29 ? 233 GLN A CB 1 ATOM 1312 C CG . GLN A 1 210 ? -40.491 -1.759 -42.902 1.00 24.82 ? 233 GLN A CG 1 ATOM 1313 C CD . GLN A 1 210 ? -41.608 -0.756 -42.899 1.00 26.29 ? 233 GLN A CD 1 ATOM 1314 O OE1 . GLN A 1 210 ? -42.750 -1.070 -42.523 1.00 29.63 ? 233 GLN A OE1 1 ATOM 1315 N NE2 . GLN A 1 210 ? -41.289 0.465 -43.283 1.00 26.69 ? 233 GLN A NE2 1 ATOM 1316 N N . PRO A 1 211 ? -37.043 -3.298 -43.117 1.00 26.73 ? 234 PRO A N 1 ATOM 1317 C CA . PRO A 1 211 ? -35.871 -2.820 -43.862 1.00 22.77 ? 234 PRO A CA 1 ATOM 1318 C C . PRO A 1 211 ? -36.249 -1.710 -44.830 1.00 25.78 ? 234 PRO A C 1 ATOM 1319 O O . PRO A 1 211 ? -37.379 -1.634 -45.307 1.00 32.20 ? 234 PRO A O 1 ATOM 1320 C CB . PRO A 1 211 ? -35.396 -4.069 -44.618 1.00 22.00 ? 234 PRO A CB 1 ATOM 1321 C CG . PRO A 1 211 ? -36.623 -4.881 -44.829 1.00 22.45 ? 234 PRO A CG 1 ATOM 1322 C CD . PRO A 1 211 ? -37.491 -4.624 -43.597 1.00 22.15 ? 234 PRO A CD 1 ATOM 1323 N N . ILE A 1 212 ? -35.262 -0.859 -45.134 1.00 28.46 ? 235 ILE A N 1 ATOM 1324 C CA . ILE A 1 212 ? -35.488 0.315 -45.991 1.00 26.41 ? 235 ILE A CA 1 ATOM 1325 C C . ILE A 1 212 ? -36.130 -0.066 -47.329 1.00 25.40 ? 235 ILE A C 1 ATOM 1326 O O . ILE A 1 212 ? -36.898 0.726 -47.905 1.00 27.45 ? 235 ILE A O 1 ATOM 1327 C CB . ILE A 1 212 ? -34.163 1.104 -46.191 1.00 26.07 ? 235 ILE A CB 1 ATOM 1328 C CG1 . ILE A 1 212 ? -34.415 2.453 -46.867 1.00 29.12 ? 235 ILE A CG1 1 ATOM 1329 C CG2 . ILE A 1 212 ? -33.119 0.305 -46.992 1.00 24.14 ? 235 ILE A CG2 1 ATOM 1330 C CD1 . ILE A 1 212 ? -35.399 3.282 -46.138 1.00 27.40 ? 235 ILE A CD1 1 ATOM 1331 N N . TRP A 1 213 ? -35.866 -1.277 -47.843 1.00 25.88 ? 236 TRP A N 1 ATOM 1332 C CA . TRP A 1 213 ? -36.455 -1.628 -49.133 1.00 27.12 ? 236 TRP A CA 1 ATOM 1333 C C . TRP A 1 213 ? -37.949 -1.894 -49.014 1.00 28.14 ? 236 TRP A C 1 ATOM 1334 O O . TRP A 1 213 ? -38.684 -1.681 -49.984 1.00 33.00 ? 236 TRP A O 1 ATOM 1335 C CB . TRP A 1 213 ? -35.747 -2.826 -49.777 1.00 31.53 ? 236 TRP A CB 1 ATOM 1336 C CG . TRP A 1 213 ? -35.684 -4.100 -48.958 1.00 30.51 ? 236 TRP A CG 1 ATOM 1337 C CD1 . TRP A 1 213 ? -36.677 -5.039 -48.803 1.00 26.36 ? 236 TRP A CD1 1 ATOM 1338 C CD2 . TRP A 1 213 ? -34.542 -4.590 -48.233 1.00 25.27 ? 236 TRP A CD2 1 ATOM 1339 N NE1 . TRP A 1 213 ? -36.220 -6.070 -47.993 1.00 26.84 ? 236 TRP A NE1 1 ATOM 1340 C CE2 . TRP A 1 213 ? -34.915 -5.817 -47.641 1.00 28.27 ? 236 TRP A CE2 1 ATOM 1341 C CE3 . TRP A 1 213 ? -33.238 -4.105 -48.028 1.00 24.60 ? 236 TRP A CE3 1 ATOM 1342 C CZ2 . TRP A 1 213 ? -34.031 -6.565 -46.844 1.00 26.49 ? 236 TRP A CZ2 1 ATOM 1343 C CZ3 . TRP A 1 213 ? -32.355 -4.856 -47.234 1.00 24.70 ? 236 TRP A CZ3 1 ATOM 1344 C CH2 . TRP A 1 213 ? -32.766 -6.066 -46.653 1.00 28.26 ? 236 TRP A CH2 1 ATOM 1345 N N . HIS A 1 214 ? -38.427 -2.323 -47.841 1.00 27.81 ? 237 HIS A N 1 ATOM 1346 C CA . HIS A 1 214 ? -39.877 -2.391 -47.635 1.00 32.30 ? 237 HIS A CA 1 ATOM 1347 C C . HIS A 1 214 ? -40.464 -1.009 -47.371 1.00 32.10 ? 237 HIS A C 1 ATOM 1348 O O . HIS A 1 214 ? -41.569 -0.718 -47.828 1.00 34.68 ? 237 HIS A O 1 ATOM 1349 C CB . HIS A 1 214 ? -40.239 -3.337 -46.483 1.00 27.30 ? 237 HIS A CB 1 ATOM 1350 C CG . HIS A 1 214 ? -40.144 -4.785 -46.852 1.00 33.52 ? 237 HIS A CG 1 ATOM 1351 N ND1 . HIS A 1 214 ? -40.006 -5.204 -48.158 1.00 36.32 ? 237 HIS A ND1 1 ATOM 1352 C CD2 . HIS A 1 214 ? -40.155 -5.907 -46.095 1.00 27.40 ? 237 HIS A CD2 1 ATOM 1353 C CE1 . HIS A 1 214 ? -39.941 -6.521 -48.190 1.00 37.66 ? 237 HIS A CE1 1 ATOM 1354 N NE2 . HIS A 1 214 ? -40.021 -6.971 -46.950 1.00 32.52 ? 237 HIS A NE2 1 ATOM 1355 N N . THR A 1 215 ? -39.751 -0.148 -46.637 1.00 27.85 ? 238 THR A N 1 ATOM 1356 C CA . THR A 1 215 ? -40.269 1.201 -46.407 1.00 28.72 ? 238 THR A CA 1 ATOM 1357 C C . THR A 1 215 ? -40.498 1.929 -47.725 1.00 30.68 ? 238 THR A C 1 ATOM 1358 O O . THR A 1 215 ? -41.545 2.570 -47.925 1.00 32.39 ? 238 THR A O 1 ATOM 1359 C CB . THR A 1 215 ? -39.312 1.974 -45.499 1.00 33.77 ? 238 THR A CB 1 ATOM 1360 O OG1 . THR A 1 215 ? -39.053 1.183 -44.332 1.00 32.83 ? 238 THR A OG1 1 ATOM 1361 C CG2 . THR A 1 215 ? -39.893 3.333 -45.085 1.00 28.21 ? 238 THR A CG2 1 ATOM 1362 N N . ALA A 1 216 ? -39.565 1.779 -48.667 1.00 30.69 ? 239 ALA A N 1 ATOM 1363 C CA . ALA A 1 216 ? -39.724 2.365 -49.996 1.00 32.73 ? 239 ALA A CA 1 ATOM 1364 C C . ALA A 1 216 ? -40.892 1.733 -50.753 1.00 34.53 ? 239 ALA A C 1 ATOM 1365 O O . ALA A 1 216 ? -41.760 2.435 -51.290 1.00 36.56 ? 239 ALA A O 1 ATOM 1366 C CB . ALA A 1 216 ? -38.424 2.198 -50.784 1.00 32.37 ? 239 ALA A CB 1 ATOM 1367 N N . SER A 1 217 ? -40.918 0.402 -50.803 1.00 33.95 ? 240 SER A N 1 ATOM 1368 C CA . SER A 1 217 ? -41.920 -0.318 -51.576 1.00 37.72 ? 240 SER A CA 1 ATOM 1369 C C . SER A 1 217 ? -43.327 -0.022 -51.051 1.00 36.78 ? 240 SER A C 1 ATOM 1370 O O . SER A 1 217 ? -44.252 0.236 -51.824 1.00 39.02 ? 240 SER A O 1 ATOM 1371 C CB . SER A 1 217 ? -41.633 -1.823 -51.525 1.00 34.76 ? 240 SER A CB 1 ATOM 1372 O OG . SER A 1 217 ? -42.755 -2.537 -52.020 1.00 57.65 ? 240 SER A OG 1 ATOM 1373 N N . TYR A 1 218 ? -43.503 -0.045 -49.725 1.00 35.88 ? 241 TYR A N 1 ATOM 1374 C CA . TYR A 1 218 ? -44.806 0.240 -49.123 1.00 36.41 ? 241 TYR A CA 1 ATOM 1375 C C . TYR A 1 218 ? -45.289 1.646 -49.428 1.00 38.12 ? 241 TYR A C 1 ATOM 1376 O O . TYR A 1 218 ? -46.485 1.906 -49.314 1.00 39.76 ? 241 TYR A O 1 ATOM 1377 C CB . TYR A 1 218 ? -44.761 0.071 -47.596 1.00 34.61 ? 241 TYR A CB 1 ATOM 1378 C CG . TYR A 1 218 ? -44.407 -1.306 -47.142 1.00 33.15 ? 241 TYR A CG 1 ATOM 1379 C CD1 . TYR A 1 218 ? -44.552 -2.408 -47.992 1.00 33.87 ? 241 TYR A CD1 1 ATOM 1380 C CD2 . TYR A 1 218 ? -43.937 -1.519 -45.862 1.00 31.26 ? 241 TYR A CD2 1 ATOM 1381 C CE1 . TYR A 1 218 ? -44.228 -3.680 -47.564 1.00 33.38 ? 241 TYR A CE1 1 ATOM 1382 C CE2 . TYR A 1 218 ? -43.617 -2.771 -45.428 1.00 31.60 ? 241 TYR A CE2 1 ATOM 1383 C CZ . TYR A 1 218 ? -43.756 -3.844 -46.276 1.00 35.51 ? 241 TYR A CZ 1 ATOM 1384 O OH . TYR A 1 218 ? -43.411 -5.088 -45.823 1.00 42.35 ? 241 TYR A OH 1 ATOM 1385 N N . GLN A 1 219 ? -44.386 2.573 -49.755 1.00 37.88 ? 242 GLN A N 1 ATOM 1386 C CA . GLN A 1 219 ? -44.776 3.943 -50.048 1.00 39.65 ? 242 GLN A CA 1 ATOM 1387 C C . GLN A 1 219 ? -44.612 4.275 -51.532 1.00 41.57 ? 242 GLN A C 1 ATOM 1388 O O . GLN A 1 219 ? -44.489 5.446 -51.893 1.00 42.80 ? 242 GLN A O 1 ATOM 1389 C CB . GLN A 1 219 ? -44.007 4.914 -49.141 1.00 38.28 ? 242 GLN A CB 1 ATOM 1390 C CG . GLN A 1 219 ? -44.277 4.680 -47.626 1.00 36.74 ? 242 GLN A CG 1 ATOM 1391 C CD . GLN A 1 219 ? -43.355 5.484 -46.660 1.00 35.16 ? 242 GLN A CD 1 ATOM 1392 O OE1 . GLN A 1 219 ? -43.065 6.665 -46.887 1.00 36.00 ? 242 GLN A OE1 1 ATOM 1393 N NE2 . GLN A 1 219 ? -42.893 4.823 -45.578 1.00 33.02 ? 242 GLN A NE2 1 ATOM 1394 N N . GLY A 1 220 ? -44.618 3.263 -52.402 1.00 42.02 ? 243 GLY A N 1 ATOM 1395 C CA . GLY A 1 220 ? -44.747 3.474 -53.836 1.00 44.35 ? 243 GLY A CA 1 ATOM 1396 C C . GLY A 1 220 ? -43.462 3.548 -54.641 1.00 43.97 ? 243 GLY A C 1 ATOM 1397 O O . GLY A 1 220 ? -43.529 3.792 -55.849 1.00 46.09 ? 243 GLY A O 1 ATOM 1398 N N . LEU A 1 221 ? -42.301 3.345 -54.020 1.00 41.53 ? 244 LEU A N 1 ATOM 1399 C CA . LEU A 1 221 ? -41.020 3.336 -54.711 1.00 41.12 ? 244 LEU A CA 1 ATOM 1400 C C . LEU A 1 221 ? -40.573 1.904 -54.993 1.00 40.17 ? 244 LEU A C 1 ATOM 1401 O O . LEU A 1 221 ? -41.162 0.936 -54.510 1.00 39.53 ? 244 LEU A O 1 ATOM 1402 C CB . LEU A 1 221 ? -39.959 4.063 -53.872 1.00 39.26 ? 244 LEU A CB 1 ATOM 1403 C CG . LEU A 1 221 ? -40.309 5.482 -53.439 1.00 40.07 ? 244 LEU A CG 1 ATOM 1404 C CD1 . LEU A 1 221 ? -39.135 6.098 -52.648 1.00 38.24 ? 244 LEU A CD1 1 ATOM 1405 C CD2 . LEU A 1 221 ? -40.675 6.328 -54.666 1.00 43.00 ? 244 LEU A CD2 1 ATOM 1406 N N . LYS A 1 222 ? -39.506 1.776 -55.746 1.00 40.20 ? 245 LYS A N 1 ATOM 1407 C CA . LYS A 1 222 ? -38.941 0.494 -56.045 1.00 39.37 ? 245 LYS A CA 1 ATOM 1408 C C . LYS A 1 222 ? -37.508 0.364 -55.438 1.00 37.16 ? 245 LYS A C 1 ATOM 1409 O O . LYS A 1 222 ? -36.772 1.307 -55.426 1.00 37.02 ? 245 LYS A O 1 ATOM 1410 C CB . LYS A 1 222 ? -38.958 0.235 -57.536 1.00 41.65 ? 245 LYS A CB 1 ATOM 1411 C CG . LYS A 1 222 ? -40.361 0.176 -58.114 1.00 44.16 ? 245 LYS A CG 1 ATOM 1412 C CD . LYS A 1 222 ? -40.377 0.358 -59.611 1.00 55.24 ? 245 LYS A CD 1 ATOM 1413 C CE . LYS A 1 222 ? -41.750 0.023 -60.199 1.00 58.94 ? 245 LYS A CE 1 ATOM 1414 N NZ . LYS A 1 222 ? -42.087 -1.420 -60.143 1.00 59.47 ? 245 LYS A NZ 1 ATOM 1415 N N . ALA A 1 223 ? -37.155 -0.818 -54.952 1.00 35.62 ? 246 ALA A N 1 ATOM 1416 C CA . ALA A 1 223 ? -35.862 -1.062 -54.325 1.00 33.60 ? 246 ALA A CA 1 ATOM 1417 C C . ALA A 1 223 ? -35.192 -2.273 -54.959 1.00 39.58 ? 246 ALA A C 1 ATOM 1418 O O . ALA A 1 223 ? -35.838 -3.293 -55.220 1.00 35.11 ? 246 ALA A O 1 ATOM 1419 C CB . ALA A 1 223 ? -36.006 -1.275 -52.826 1.00 31.51 ? 246 ALA A CB 1 ATOM 1420 N N . ALA A 1 224 ? -33.897 -2.156 -55.197 1.00 33.23 ? 247 ALA A N 1 ATOM 1421 C CA . ALA A 1 224 ? -33.122 -3.220 -55.801 1.00 33.45 ? 247 ALA A CA 1 ATOM 1422 C C . ALA A 1 224 ? -31.896 -3.445 -54.930 1.00 33.99 ? 247 ALA A C 1 ATOM 1423 O O . ALA A 1 224 ? -31.220 -2.487 -54.558 1.00 34.56 ? 247 ALA A O 1 ATOM 1424 C CB . ALA A 1 224 ? -32.738 -2.858 -57.239 1.00 35.59 ? 247 ALA A CB 1 ATOM 1425 N N . THR A 1 225 ? -31.636 -4.693 -54.560 1.00 32.34 ? 248 THR A N 1 ATOM 1426 C CA . THR A 1 225 ? -30.484 -5.020 -53.730 1.00 31.51 ? 248 THR A CA 1 ATOM 1427 C C . THR A 1 225 ? -29.531 -5.910 -54.505 1.00 32.41 ? 248 THR A C 1 ATOM 1428 O O . THR A 1 225 ? -29.906 -7.011 -54.912 1.00 32.11 ? 248 THR A O 1 ATOM 1429 C CB . THR A 1 225 ? -30.905 -5.726 -52.446 1.00 32.11 ? 248 THR A CB 1 ATOM 1430 O OG1 . THR A 1 225 ? -31.638 -6.907 -52.804 1.00 37.37 ? 248 THR A OG1 1 ATOM 1431 C CG2 . THR A 1 225 ? -31.774 -4.819 -51.603 1.00 26.65 ? 248 THR A CG2 1 ATOM 1432 N N . TYR A 1 226 ? -28.290 -5.456 -54.685 1.00 29.56 ? 249 TYR A N 1 ATOM 1433 C CA . TYR A 1 226 ? -27.258 -6.371 -55.158 1.00 30.06 ? 249 TYR A CA 1 ATOM 1434 C C . TYR A 1 226 ? -26.524 -6.919 -53.938 1.00 32.98 ? 249 TYR A C 1 ATOM 1435 O O . TYR A 1 226 ? -25.431 -6.475 -53.584 1.00 29.98 ? 249 TYR A O 1 ATOM 1436 C CB . TYR A 1 226 ? -26.298 -5.709 -56.139 1.00 34.50 ? 249 TYR A CB 1 ATOM 1437 C CG . TYR A 1 226 ? -25.798 -6.766 -57.068 1.00 36.41 ? 249 TYR A CG 1 ATOM 1438 C CD1 . TYR A 1 226 ? -25.082 -7.857 -56.586 1.00 38.20 ? 249 TYR A CD1 1 ATOM 1439 C CD2 . TYR A 1 226 ? -26.126 -6.737 -58.406 1.00 38.03 ? 249 TYR A CD2 1 ATOM 1440 C CE1 . TYR A 1 226 ? -24.682 -8.870 -57.451 1.00 38.96 ? 249 TYR A CE1 1 ATOM 1441 C CE2 . TYR A 1 226 ? -25.725 -7.725 -59.261 1.00 40.90 ? 249 TYR A CE2 1 ATOM 1442 C CZ . TYR A 1 226 ? -25.009 -8.786 -58.788 1.00 40.37 ? 249 TYR A CZ 1 ATOM 1443 O OH . TYR A 1 226 ? -24.638 -9.769 -59.678 1.00 40.66 ? 249 TYR A OH 1 ATOM 1444 N N . PHE A 1 227 ? -27.146 -7.928 -53.316 1.00 32.49 ? 250 PHE A N 1 ATOM 1445 C CA . PHE A 1 227 ? -26.677 -8.553 -52.086 1.00 26.89 ? 250 PHE A CA 1 ATOM 1446 C C . PHE A 1 227 ? -26.930 -7.603 -50.924 1.00 33.91 ? 250 PHE A C 1 ATOM 1447 O O . PHE A 1 227 ? -26.589 -6.415 -50.980 1.00 34.27 ? 250 PHE A O 1 ATOM 1448 C CB . PHE A 1 227 ? -25.192 -8.940 -52.116 1.00 26.01 ? 250 PHE A CB 1 ATOM 1449 C CG . PHE A 1 227 ? -24.799 -9.856 -53.238 1.00 28.84 ? 250 PHE A CG 1 ATOM 1450 C CD1 . PHE A 1 227 ? -25.748 -10.538 -53.985 1.00 32.25 ? 250 PHE A CD1 1 ATOM 1451 C CD2 . PHE A 1 227 ? -23.464 -10.035 -53.553 1.00 32.26 ? 250 PHE A CD2 1 ATOM 1452 C CE1 . PHE A 1 227 ? -25.360 -11.367 -55.026 1.00 30.80 ? 250 PHE A CE1 1 ATOM 1453 C CE2 . PHE A 1 227 ? -23.080 -10.869 -54.600 1.00 30.05 ? 250 PHE A CE2 1 ATOM 1454 C CZ . PHE A 1 227 ? -24.045 -11.534 -55.324 1.00 31.30 ? 250 PHE A CZ 1 ATOM 1455 N N . TRP A 1 228 ? -27.572 -8.118 -49.895 1.00 29.61 ? 251 TRP A N 1 ATOM 1456 C CA . TRP A 1 228 ? -27.662 -7.465 -48.607 1.00 27.93 ? 251 TRP A CA 1 ATOM 1457 C C . TRP A 1 228 ? -28.262 -8.494 -47.669 1.00 25.58 ? 251 TRP A C 1 ATOM 1458 O O . TRP A 1 228 ? -29.197 -9.201 -48.061 1.00 29.11 ? 251 TRP A O 1 ATOM 1459 C CB . TRP A 1 228 ? -28.505 -6.187 -48.653 1.00 21.96 ? 251 TRP A CB 1 ATOM 1460 C CG . TRP A 1 228 ? -28.250 -5.315 -47.472 1.00 20.59 ? 251 TRP A CG 1 ATOM 1461 C CD1 . TRP A 1 228 ? -28.827 -5.418 -46.244 1.00 19.55 ? 251 TRP A CD1 1 ATOM 1462 C CD2 . TRP A 1 228 ? -27.294 -4.222 -47.375 1.00 25.34 ? 251 TRP A CD2 1 ATOM 1463 N NE1 . TRP A 1 228 ? -28.318 -4.440 -45.392 1.00 19.34 ? 251 TRP A NE1 1 ATOM 1464 C CE2 . TRP A 1 228 ? -27.392 -3.694 -46.072 1.00 22.37 ? 251 TRP A CE2 1 ATOM 1465 C CE3 . TRP A 1 228 ? -26.421 -3.611 -48.277 1.00 21.05 ? 251 TRP A CE3 1 ATOM 1466 C CZ2 . TRP A 1 228 ? -26.624 -2.602 -45.644 1.00 26.41 ? 251 TRP A CZ2 1 ATOM 1467 C CZ3 . TRP A 1 228 ? -25.640 -2.505 -47.832 1.00 20.56 ? 251 TRP A CZ3 1 ATOM 1468 C CH2 . TRP A 1 228 ? -25.754 -2.029 -46.541 1.00 19.31 ? 251 TRP A CH2 1 ATOM 1469 N N . PRO A 1 229 ? -27.701 -8.659 -46.470 1.00 25.90 ? 252 PRO A N 1 ATOM 1470 C CA . PRO A 1 229 ? -28.281 -9.597 -45.503 1.00 25.14 ? 252 PRO A CA 1 ATOM 1471 C C . PRO A 1 229 ? -29.744 -9.278 -45.280 1.00 24.34 ? 252 PRO A C 1 ATOM 1472 O O . PRO A 1 229 ? -30.100 -8.140 -44.987 1.00 28.56 ? 252 PRO A O 1 ATOM 1473 C CB . PRO A 1 229 ? -27.446 -9.361 -44.240 1.00 24.64 ? 252 PRO A CB 1 ATOM 1474 C CG . PRO A 1 229 ? -26.094 -8.923 -44.781 1.00 21.90 ? 252 PRO A CG 1 ATOM 1475 C CD . PRO A 1 229 ? -26.469 -8.029 -45.960 1.00 24.32 ? 252 PRO A CD 1 ATOM 1476 N N . GLY A 1 230 ? -30.597 -10.277 -45.475 1.00 27.28 ? 253 GLY A N 1 ATOM 1477 C CA . GLY A 1 230 ? -32.031 -10.108 -45.340 1.00 21.80 ? 253 GLY A CA 1 ATOM 1478 C C . GLY A 1 230 ? -32.757 -9.963 -46.659 1.00 26.22 ? 253 GLY A C 1 ATOM 1479 O O . GLY A 1 230 ? -33.960 -10.230 -46.728 1.00 25.96 ? 253 GLY A O 1 ATOM 1480 N N . SER A 1 231 ? -32.047 -9.576 -47.717 1.00 29.32 ? 254 SER A N 1 ATOM 1481 C CA . SER A 1 231 ? -32.717 -9.238 -48.966 1.00 28.43 ? 254 SER A CA 1 ATOM 1482 C C . SER A 1 231 ? -33.243 -10.470 -49.682 1.00 27.04 ? 254 SER A C 1 ATOM 1483 O O . SER A 1 231 ? -34.111 -10.347 -50.542 1.00 30.68 ? 254 SER A O 1 ATOM 1484 C CB . SER A 1 231 ? -31.770 -8.470 -49.889 1.00 30.82 ? 254 SER A CB 1 ATOM 1485 O OG . SER A 1 231 ? -30.704 -9.301 -50.319 1.00 31.71 ? 254 SER A OG 1 ATOM 1486 N N . GLU A 1 232 ? -32.740 -11.644 -49.312 1.00 29.09 ? 255 GLU A N 1 ATOM 1487 C CA . GLU A 1 232 ? -33.183 -12.897 -49.916 1.00 31.17 ? 255 GLU A CA 1 ATOM 1488 C C . GLU A 1 232 ? -34.228 -13.578 -49.034 1.00 27.98 ? 255 GLU A C 1 ATOM 1489 O O . GLU A 1 232 ? -34.596 -14.730 -49.262 1.00 34.35 ? 255 GLU A O 1 ATOM 1490 C CB . GLU A 1 232 ? -31.995 -13.832 -50.146 1.00 32.59 ? 255 GLU A CB 1 ATOM 1491 C CG . GLU A 1 232 ? -31.009 -13.339 -51.193 1.00 38.34 ? 255 GLU A CG 1 ATOM 1492 C CD . GLU A 1 232 ? -29.810 -14.254 -51.341 1.00 50.38 ? 255 GLU A CD 1 ATOM 1493 O OE1 . GLU A 1 232 ? -28.756 -13.957 -50.740 1.00 50.93 ? 255 GLU A OE1 1 ATOM 1494 O OE2 . GLU A 1 232 ? -29.921 -15.270 -52.059 1.00 52.93 ? 255 GLU A OE2 1 ATOM 1495 N N . VAL A 1 233 ? -34.697 -12.851 -48.025 1.00 34.32 ? 256 VAL A N 1 ATOM 1496 C CA . VAL A 1 233 ? -35.699 -13.350 -47.085 1.00 31.40 ? 256 VAL A CA 1 ATOM 1497 C C . VAL A 1 233 ? -37.023 -12.663 -47.361 1.00 29.47 ? 256 VAL A C 1 ATOM 1498 O O . VAL A 1 233 ? -37.061 -11.474 -47.690 1.00 27.64 ? 256 VAL A O 1 ATOM 1499 C CB . VAL A 1 233 ? -35.244 -13.089 -45.639 1.00 29.51 ? 256 VAL A CB 1 ATOM 1500 C CG1 . VAL A 1 233 ? -36.249 -13.665 -44.657 1.00 28.96 ? 256 VAL A CG1 1 ATOM 1501 C CG2 . VAL A 1 233 ? -33.820 -13.640 -45.430 1.00 30.02 ? 256 VAL A CG2 1 ATOM 1502 N N . LYS A 1 234 ? -38.099 -13.399 -47.194 1.00 27.73 ? 257 LYS A N 1 ATOM 1503 C CA . LYS A 1 234 ? -39.415 -12.880 -47.421 1.00 31.49 ? 257 LYS A CA 1 ATOM 1504 C C . LYS A 1 234 ? -39.883 -12.165 -46.156 1.00 31.50 ? 257 LYS A C 1 ATOM 1505 O O . LYS A 1 234 ? -40.839 -12.538 -45.553 1.00 28.25 ? 257 LYS A O 1 ATOM 1506 C CB . LYS A 1 234 ? -40.367 -14.008 -47.856 1.00 35.56 ? 257 LYS A CB 1 ATOM 1507 C CG . LYS A 1 234 ? -41.450 -13.618 -48.846 1.00 40.04 ? 257 LYS A CG 1 ATOM 1508 C CD . LYS A 1 234 ? -42.339 -14.773 -49.305 1.00 45.16 ? 257 LYS A CD 1 ATOM 1509 C CE . LYS A 1 234 ? -43.830 -14.403 -49.292 1.00 51.17 ? 257 LYS A CE 1 ATOM 1510 N NZ . LYS A 1 234 ? -44.638 -14.814 -48.089 1.00 50.22 ? 257 LYS A NZ 1 ATOM 1511 N N . ILE A 1 235 ? -39.165 -11.122 -45.771 1.00 26.50 ? 258 ILE A N 1 ATOM 1512 C CA . ILE A 1 235 ? -39.470 -10.340 -44.588 1.00 25.50 ? 258 ILE A CA 1 ATOM 1513 C C . ILE A 1 235 ? -40.838 -9.693 -44.692 1.00 34.13 ? 258 ILE A C 1 ATOM 1514 O O . ILE A 1 235 ? -41.127 -9.033 -45.651 1.00 30.88 ? 258 ILE A O 1 ATOM 1515 C CB . ILE A 1 235 ? -38.400 -9.258 -44.335 1.00 30.80 ? 258 ILE A CB 1 ATOM 1516 C CG1 . ILE A 1 235 ? -37.031 -9.907 -44.125 1.00 28.22 ? 258 ILE A CG1 1 ATOM 1517 C CG2 . ILE A 1 235 ? -38.794 -8.390 -43.181 1.00 23.35 ? 258 ILE A CG2 1 ATOM 1518 C CD1 . ILE A 1 235 ? -35.874 -8.958 -43.967 1.00 21.81 ? 258 ILE A CD1 1 ATOM 1519 N N . ASN A 1 236 ? -41.676 -9.897 -43.680 1.00 29.57 ? 259 ASN A N 1 ATOM 1520 C CA . ASN A 1 236 ? -43.019 -9.330 -43.687 1.00 33.60 ? 259 ASN A CA 1 ATOM 1521 C C . ASN A 1 236 ? -43.771 -9.805 -44.923 1.00 33.06 ? 259 ASN A C 1 ATOM 1522 O O . ASN A 1 236 ? -44.662 -9.125 -45.432 1.00 31.23 ? 259 ASN A O 1 ATOM 1523 C CB . ASN A 1 236 ? -42.960 -7.802 -43.656 1.00 41.51 ? 259 ASN A CB 1 ATOM 1524 C CG . ASN A 1 236 ? -44.212 -7.183 -43.067 1.00 50.73 ? 259 ASN A CG 1 ATOM 1525 O OD1 . ASN A 1 236 ? -44.807 -7.725 -42.135 1.00 56.81 ? 259 ASN A OD1 1 ATOM 1526 N ND2 . ASN A 1 236 ? -44.619 -6.041 -43.609 1.00 54.58 ? 259 ASN A ND2 1 ATOM 1527 N N . GLY A 1 237 ? -43.391 -10.987 -45.396 1.00 31.70 ? 260 GLY A N 1 ATOM 1528 C CA . GLY A 1 237 ? -43.977 -11.594 -46.565 1.00 34.47 ? 260 GLY A CA 1 ATOM 1529 C C . GLY A 1 237 ? -43.551 -11.177 -47.942 1.00 38.71 ? 260 GLY A C 1 ATOM 1530 O O . GLY A 1 237 ? -44.157 -11.593 -48.887 1.00 34.64 ? 260 GLY A O 1 ATOM 1531 N N . SER A 1 238 ? -42.503 -10.374 -48.080 1.00 34.89 ? 261 SER A N 1 ATOM 1532 C CA . SER A 1 238 ? -42.092 -9.956 -49.415 1.00 32.96 ? 261 SER A CA 1 ATOM 1533 C C . SER A 1 238 ? -40.599 -9.645 -49.449 1.00 30.82 ? 261 SER A C 1 ATOM 1534 O O . SER A 1 238 ? -39.941 -9.499 -48.419 1.00 29.08 ? 261 SER A O 1 ATOM 1535 C CB . SER A 1 238 ? -42.921 -8.750 -49.915 1.00 37.65 ? 261 SER A CB 1 ATOM 1536 O OG . SER A 1 238 ? -42.675 -7.569 -49.156 1.00 45.56 ? 261 SER A OG 1 ATOM 1537 N N . TYR A 1 239 ? -40.104 -9.539 -50.679 1.00 31.73 ? 262 TYR A N 1 ATOM 1538 C CA . TYR A 1 239 ? -38.752 -9.293 -51.144 1.00 35.39 ? 262 TYR A CA 1 ATOM 1539 C C . TYR A 1 239 ? -38.604 -7.850 -51.606 1.00 39.24 ? 262 TYR A C 1 ATOM 1540 O O . TYR A 1 239 ? -39.592 -7.178 -51.918 1.00 32.48 ? 262 TYR A O 1 ATOM 1541 C CB . TYR A 1 239 ? -38.437 -10.230 -52.323 1.00 32.43 ? 262 TYR A CB 1 ATOM 1542 C CG . TYR A 1 239 ? -38.459 -11.707 -52.005 1.00 32.49 ? 262 TYR A CG 1 ATOM 1543 C CD1 . TYR A 1 239 ? -37.485 -12.276 -51.174 1.00 33.01 ? 262 TYR A CD1 1 ATOM 1544 C CD2 . TYR A 1 239 ? -39.429 -12.546 -52.561 1.00 36.63 ? 262 TYR A CD2 1 ATOM 1545 C CE1 . TYR A 1 239 ? -37.485 -13.617 -50.883 1.00 34.01 ? 262 TYR A CE1 1 ATOM 1546 C CE2 . TYR A 1 239 ? -39.436 -13.910 -52.281 1.00 34.56 ? 262 TYR A CE2 1 ATOM 1547 C CZ . TYR A 1 239 ? -38.459 -14.434 -51.439 1.00 43.91 ? 262 TYR A CZ 1 ATOM 1548 O OH . TYR A 1 239 ? -38.445 -15.776 -51.151 1.00 51.80 ? 262 TYR A OH 1 ATOM 1549 N N . PRO A 1 240 ? -37.342 -7.336 -51.712 1.00 32.14 ? 263 PRO A N 1 ATOM 1550 C CA . PRO A 1 240 ? -37.125 -6.102 -52.494 1.00 31.56 ? 263 PRO A CA 1 ATOM 1551 C C . PRO A 1 240 ? -37.737 -6.233 -53.891 1.00 38.02 ? 263 PRO A C 1 ATOM 1552 O O . PRO A 1 240 ? -37.939 -7.356 -54.364 1.00 43.70 ? 263 PRO A O 1 ATOM 1553 C CB . PRO A 1 240 ? -35.596 -5.974 -52.562 1.00 30.08 ? 263 PRO A CB 1 ATOM 1554 C CG . PRO A 1 240 ? -35.084 -6.800 -51.334 1.00 28.63 ? 263 PRO A CG 1 ATOM 1555 C CD . PRO A 1 240 ? -36.074 -7.966 -51.292 1.00 28.91 ? 263 PRO A CD 1 ATOM 1556 N N . THR A 1 241 ? -38.051 -5.107 -54.544 1.00 36.71 ? 264 THR A N 1 ATOM 1557 C CA . THR A 1 241 ? -38.571 -5.132 -55.909 1.00 40.17 ? 264 THR A CA 1 ATOM 1558 C C . THR A 1 241 ? -37.683 -5.974 -56.819 1.00 42.84 ? 264 THR A C 1 ATOM 1559 O O . THR A 1 241 ? -38.176 -6.805 -57.593 1.00 44.56 ? 264 THR A O 1 ATOM 1560 C CB . THR A 1 241 ? -38.678 -3.704 -56.457 1.00 41.85 ? 264 THR A CB 1 ATOM 1561 O OG1 . THR A 1 241 ? -39.072 -2.812 -55.411 1.00 37.34 ? 264 THR A OG1 1 ATOM 1562 C CG2 . THR A 1 241 ? -39.710 -3.632 -57.617 1.00 41.20 ? 264 THR A CG2 1 ATOM 1563 N N . ILE A 1 242 ? -36.367 -5.751 -56.749 1.00 36.69 ? 265 ILE A N 1 ATOM 1564 C CA . ILE A 1 242 ? -35.361 -6.562 -57.424 1.00 41.28 ? 265 ILE A CA 1 ATOM 1565 C C . ILE A 1 242 ? -34.339 -6.992 -56.373 1.00 43.01 ? 265 ILE A C 1 ATOM 1566 O O . ILE A 1 242 ? -34.019 -6.219 -55.463 1.00 40.61 ? 265 ILE A O 1 ATOM 1567 C CB . ILE A 1 242 ? -34.677 -5.787 -58.576 1.00 42.12 ? 265 ILE A CB 1 ATOM 1568 C CG1 . ILE A 1 242 ? -35.712 -5.302 -59.589 1.00 40.99 ? 265 ILE A CG1 1 ATOM 1569 C CG2 . ILE A 1 242 ? -33.650 -6.641 -59.285 1.00 39.10 ? 265 ILE A CG2 1 ATOM 1570 C CD1 . ILE A 1 242 ? -35.406 -3.925 -60.173 1.00 42.03 ? 265 ILE A CD1 1 ATOM 1571 N N . TYR A 1 243 ? -33.847 -8.228 -56.479 1.00 49.81 ? 266 TYR A N 1 ATOM 1572 C CA . TYR A 1 243 ? -32.811 -8.710 -55.571 1.00 40.53 ? 266 TYR A CA 1 ATOM 1573 C C . TYR A 1 243 ? -32.043 -9.827 -56.260 1.00 36.23 ? 266 TYR A C 1 ATOM 1574 O O . TYR A 1 243 ? -32.509 -10.422 -57.240 1.00 35.64 ? 266 TYR A O 1 ATOM 1575 C CB . TYR A 1 243 ? -33.396 -9.177 -54.223 1.00 34.41 ? 266 TYR A CB 1 ATOM 1576 C CG . TYR A 1 243 ? -34.117 -10.507 -54.274 1.00 36.13 ? 266 TYR A CG 1 ATOM 1577 C CD1 . TYR A 1 243 ? -35.474 -10.573 -54.568 1.00 37.82 ? 266 TYR A CD1 1 ATOM 1578 C CD2 . TYR A 1 243 ? -33.440 -11.694 -54.032 1.00 32.08 ? 266 TYR A CD2 1 ATOM 1579 C CE1 . TYR A 1 243 ? -36.142 -11.797 -54.631 1.00 37.51 ? 266 TYR A CE1 1 ATOM 1580 C CE2 . TYR A 1 243 ? -34.089 -12.904 -54.078 1.00 35.47 ? 266 TYR A CE2 1 ATOM 1581 C CZ . TYR A 1 243 ? -35.441 -12.947 -54.379 1.00 39.10 ? 266 TYR A CZ 1 ATOM 1582 O OH . TYR A 1 243 ? -36.090 -14.139 -54.429 1.00 45.22 ? 266 TYR A OH 1 ATOM 1583 N N . LYS A 1 244 ? -30.850 -10.091 -55.736 1.00 38.09 ? 267 LYS A N 1 ATOM 1584 C CA . LYS A 1 244 ? -29.907 -11.049 -56.293 1.00 33.36 ? 267 LYS A CA 1 ATOM 1585 C C . LYS A 1 244 ? -29.634 -12.168 -55.298 1.00 33.44 ? 267 LYS A C 1 ATOM 1586 O O . LYS A 1 244 ? -29.495 -11.917 -54.100 1.00 30.69 ? 267 LYS A O 1 ATOM 1587 C CB . LYS A 1 244 ? -28.606 -10.352 -56.630 1.00 38.82 ? 267 LYS A CB 1 ATOM 1588 C CG . LYS A 1 244 ? -28.690 -9.548 -57.887 1.00 41.94 ? 267 LYS A CG 1 ATOM 1589 C CD . LYS A 1 244 ? -28.635 -10.499 -59.080 1.00 49.71 ? 267 LYS A CD 1 ATOM 1590 C CE . LYS A 1 244 ? -28.495 -9.734 -60.371 1.00 59.11 ? 267 LYS A CE 1 ATOM 1591 N NZ . LYS A 1 244 ? -28.115 -10.599 -61.536 1.00 64.84 ? 267 LYS A NZ 1 ATOM 1592 N N . VAL A 1 245 ? -29.565 -13.401 -55.803 1.00 39.56 ? 268 VAL A N 1 ATOM 1593 C CA . VAL A 1 245 ? -29.202 -14.545 -54.970 1.00 39.66 ? 268 VAL A CA 1 ATOM 1594 C C . VAL A 1 245 ? -27.729 -14.446 -54.604 1.00 35.77 ? 268 VAL A C 1 ATOM 1595 O O . VAL A 1 245 ? -26.862 -14.348 -55.482 1.00 33.05 ? 268 VAL A O 1 ATOM 1596 C CB . VAL A 1 245 ? -29.482 -15.874 -55.697 1.00 41.31 ? 268 VAL A CB 1 ATOM 1597 C CG1 . VAL A 1 245 ? -29.182 -17.056 -54.767 1.00 40.84 ? 268 VAL A CG1 1 ATOM 1598 C CG2 . VAL A 1 245 ? -30.902 -15.951 -56.200 1.00 35.97 ? 268 VAL A CG2 1 ATOM 1599 N N . TYR A 1 246 ? -27.432 -14.518 -53.309 1.00 30.81 ? 269 TYR A N 1 ATOM 1600 C CA . TYR A 1 246 ? -26.066 -14.271 -52.879 1.00 32.63 ? 269 TYR A CA 1 ATOM 1601 C C . TYR A 1 246 ? -25.096 -15.225 -53.567 1.00 37.21 ? 269 TYR A C 1 ATOM 1602 O O . TYR A 1 246 ? -25.341 -16.430 -53.670 1.00 38.27 ? 269 TYR A O 1 ATOM 1603 C CB . TYR A 1 246 ? -25.933 -14.374 -51.356 1.00 28.12 ? 269 TYR A CB 1 ATOM 1604 C CG . TYR A 1 246 ? -24.553 -13.970 -50.909 1.00 29.54 ? 269 TYR A CG 1 ATOM 1605 C CD1 . TYR A 1 246 ? -24.057 -12.705 -51.216 1.00 30.97 ? 269 TYR A CD1 1 ATOM 1606 C CD2 . TYR A 1 246 ? -23.729 -14.854 -50.215 1.00 30.15 ? 269 TYR A CD2 1 ATOM 1607 C CE1 . TYR A 1 246 ? -22.784 -12.317 -50.833 1.00 30.41 ? 269 TYR A CE1 1 ATOM 1608 C CE2 . TYR A 1 246 ? -22.439 -14.467 -49.818 1.00 32.60 ? 269 TYR A CE2 1 ATOM 1609 C CZ . TYR A 1 246 ? -21.967 -13.202 -50.145 1.00 32.77 ? 269 TYR A CZ 1 ATOM 1610 O OH . TYR A 1 246 ? -20.691 -12.790 -49.770 1.00 33.36 ? 269 TYR A OH 1 ATOM 1611 N N . ASN A 1 247 ? -24.005 -14.659 -54.079 1.00 37.67 ? 270 ASN A N 1 ATOM 1612 C CA . ASN A 1 247 ? -22.932 -15.450 -54.673 1.00 32.65 ? 270 ASN A CA 1 ATOM 1613 C C . ASN A 1 247 ? -21.649 -14.663 -54.450 1.00 32.53 ? 270 ASN A C 1 ATOM 1614 O O . ASN A 1 247 ? -21.360 -13.722 -55.195 1.00 35.06 ? 270 ASN A O 1 ATOM 1615 C CB . ASN A 1 247 ? -23.187 -15.708 -56.143 1.00 38.41 ? 270 ASN A CB 1 ATOM 1616 C CG . ASN A 1 247 ? -22.105 -16.549 -56.789 1.00 50.53 ? 270 ASN A CG 1 ATOM 1617 O OD1 . ASN A 1 247 ? -21.026 -16.774 -56.223 1.00 42.09 ? 270 ASN A OD1 1 ATOM 1618 N ND2 . ASN A 1 247 ? -22.394 -17.028 -57.986 1.00 71.26 ? 270 ASN A ND2 1 ATOM 1619 N N . LYS A 1 248 ? -20.885 -15.069 -53.436 1.00 32.91 ? 271 LYS A N 1 ATOM 1620 C CA . LYS A 1 248 ? -19.658 -14.372 -53.081 1.00 30.50 ? 271 LYS A CA 1 ATOM 1621 C C . LYS A 1 248 ? -18.667 -14.301 -54.239 1.00 35.28 ? 271 LYS A C 1 ATOM 1622 O O . LYS A 1 248 ? -17.817 -13.403 -54.261 1.00 33.62 ? 271 LYS A O 1 ATOM 1623 C CB . LYS A 1 248 ? -19.032 -15.081 -51.884 1.00 40.08 ? 271 LYS A CB 1 ATOM 1624 C CG . LYS A 1 248 ? -17.918 -14.316 -51.209 1.00 41.54 ? 271 LYS A CG 1 ATOM 1625 C CD . LYS A 1 248 ? -17.929 -14.618 -49.700 1.00 47.90 ? 271 LYS A CD 1 ATOM 1626 C CE . LYS A 1 248 ? -16.525 -14.849 -49.137 1.00 48.16 ? 271 LYS A CE 1 ATOM 1627 N NZ . LYS A 1 248 ? -16.594 -15.573 -47.819 1.00 45.11 ? 271 LYS A NZ 1 ATOM 1628 N N . SER A 1 249 ? -18.788 -15.203 -55.218 1.00 34.48 ? 272 SER A N 1 ATOM 1629 C CA . SER A 1 249 ? -17.869 -15.308 -56.343 1.00 42.40 ? 272 SER A CA 1 ATOM 1630 C C . SER A 1 249 ? -18.129 -14.287 -57.440 1.00 41.83 ? 272 SER A C 1 ATOM 1631 O O . SER A 1 249 ? -17.301 -14.164 -58.345 1.00 39.22 ? 272 SER A O 1 ATOM 1632 C CB . SER A 1 249 ? -17.943 -16.716 -56.957 1.00 41.45 ? 272 SER A CB 1 ATOM 1633 O OG . SER A 1 249 ? -17.512 -17.692 -56.029 1.00 50.75 ? 272 SER A OG 1 ATOM 1634 N N . THR A 1 250 ? -19.255 -13.592 -57.411 1.00 40.38 ? 273 THR A N 1 ATOM 1635 C CA . THR A 1 250 ? -19.565 -12.650 -58.471 1.00 37.68 ? 273 THR A CA 1 ATOM 1636 C C . THR A 1 250 ? -18.513 -11.547 -58.481 1.00 37.36 ? 273 THR A C 1 ATOM 1637 O O . THR A 1 250 ? -18.267 -10.930 -57.438 1.00 39.83 ? 273 THR A O 1 ATOM 1638 C CB . THR A 1 250 ? -20.980 -12.083 -58.292 1.00 40.46 ? 273 THR A CB 1 ATOM 1639 O OG1 . THR A 1 250 ? -21.910 -13.164 -58.275 1.00 41.90 ? 273 THR A OG1 1 ATOM 1640 C CG2 . THR A 1 250 ? -21.357 -11.155 -59.440 1.00 38.02 ? 273 THR A CG2 1 ATOM 1641 N N . PRO A 1 251 ? -17.817 -11.330 -59.594 1.00 43.37 ? 274 PRO A N 1 ATOM 1642 C CA . PRO A 1 251 ? -16.857 -10.225 -59.667 1.00 40.16 ? 274 PRO A CA 1 ATOM 1643 C C . PRO A 1 251 ? -17.490 -8.932 -59.186 1.00 38.64 ? 274 PRO A C 1 ATOM 1644 O O . PRO A 1 251 ? -18.619 -8.604 -59.555 1.00 39.88 ? 274 PRO A O 1 ATOM 1645 C CB . PRO A 1 251 ? -16.511 -10.158 -61.158 1.00 42.97 ? 274 PRO A CB 1 ATOM 1646 C CG . PRO A 1 251 ? -16.731 -11.543 -61.655 1.00 48.39 ? 274 PRO A CG 1 ATOM 1647 C CD . PRO A 1 251 ? -17.864 -12.119 -60.840 1.00 42.59 ? 274 PRO A CD 1 ATOM 1648 N N . PHE A 1 252 ? -16.757 -8.208 -58.329 1.00 41.42 ? 275 PHE A N 1 ATOM 1649 C CA . PHE A 1 252 ? -17.227 -6.912 -57.851 1.00 37.49 ? 275 PHE A CA 1 ATOM 1650 C C . PHE A 1 252 ? -17.627 -6.017 -59.018 1.00 37.14 ? 275 PHE A C 1 ATOM 1651 O O . PHE A 1 252 ? -18.628 -5.297 -58.954 1.00 38.46 ? 275 PHE A O 1 ATOM 1652 C CB . PHE A 1 252 ? -16.132 -6.238 -57.016 1.00 36.88 ? 275 PHE A CB 1 ATOM 1653 C CG . PHE A 1 252 ? -15.768 -6.993 -55.760 1.00 32.76 ? 275 PHE A CG 1 ATOM 1654 C CD1 . PHE A 1 252 ? -16.652 -7.900 -55.211 1.00 31.71 ? 275 PHE A CD1 1 ATOM 1655 C CD2 . PHE A 1 252 ? -14.547 -6.793 -55.129 1.00 34.93 ? 275 PHE A CD2 1 ATOM 1656 C CE1 . PHE A 1 252 ? -16.346 -8.591 -54.051 1.00 30.41 ? 275 PHE A CE1 1 ATOM 1657 C CE2 . PHE A 1 252 ? -14.220 -7.490 -53.960 1.00 33.45 ? 275 PHE A CE2 1 ATOM 1658 C CZ . PHE A 1 252 ? -15.125 -8.387 -53.420 1.00 30.02 ? 275 PHE A CZ 1 ATOM 1659 N N . GLU A 1 253 ? -16.842 -6.064 -60.095 1.00 39.37 ? 276 GLU A N 1 ATOM 1660 C CA . GLU A 1 253 ? -17.125 -5.286 -61.298 1.00 41.43 ? 276 GLU A CA 1 ATOM 1661 C C . GLU A 1 253 ? -18.489 -5.618 -61.874 1.00 42.03 ? 276 GLU A C 1 ATOM 1662 O O . GLU A 1 253 ? -19.241 -4.716 -62.258 1.00 43.27 ? 276 GLU A O 1 ATOM 1663 C CB . GLU A 1 253 ? -16.047 -5.549 -62.347 1.00 43.92 ? 276 GLU A CB 1 ATOM 1664 C CG . GLU A 1 253 ? -14.599 -5.469 -61.841 1.00 46.87 ? 276 GLU A CG 1 ATOM 1665 C CD . GLU A 1 253 ? -14.104 -6.674 -61.056 1.00 53.49 ? 276 GLU A CD 1 ATOM 1666 O OE1 . GLU A 1 253 ? -12.956 -7.083 -61.306 1.00 62.56 ? 276 GLU A OE1 1 ATOM 1667 O OE2 . GLU A 1 253 ? -14.838 -7.206 -60.206 1.00 56.60 ? 276 GLU A OE2 1 ATOM 1668 N N . ALA A 1 254 ? -18.804 -6.910 -61.988 1.00 43.08 ? 277 ALA A N 1 ATOM 1669 C CA . ALA A 1 254 ? -20.132 -7.315 -62.452 1.00 44.95 ? 277 ALA A CA 1 ATOM 1670 C C . ALA A 1 254 ? -21.225 -6.734 -61.571 1.00 40.83 ? 277 ALA A C 1 ATOM 1671 O O . ALA A 1 254 ? -22.291 -6.360 -62.063 1.00 41.59 ? 277 ALA A O 1 ATOM 1672 C CB . ALA A 1 254 ? -20.246 -8.838 -62.477 1.00 43.09 ? 277 ALA A CB 1 ATOM 1673 N N . ARG A 1 255 ? -20.973 -6.636 -60.257 1.00 38.45 ? 278 ARG A N 1 ATOM 1674 C CA . ARG A 1 255 ? -21.986 -6.073 -59.363 1.00 38.56 ? 278 ARG A CA 1 ATOM 1675 C C . ARG A 1 255 ? -22.243 -4.605 -59.691 1.00 37.21 ? 278 ARG A C 1 ATOM 1676 O O . ARG A 1 255 ? -23.400 -4.164 -59.743 1.00 37.26 ? 278 ARG A O 1 ATOM 1677 C CB . ARG A 1 255 ? -21.571 -6.248 -57.890 1.00 38.86 ? 278 ARG A CB 1 ATOM 1678 C CG . ARG A 1 255 ? -21.177 -7.688 -57.533 1.00 33.87 ? 278 ARG A CG 1 ATOM 1679 C CD . ARG A 1 255 ? -20.815 -7.856 -56.073 1.00 31.66 ? 278 ARG A CD 1 ATOM 1680 N NE . ARG A 1 255 ? -20.091 -9.106 -55.875 1.00 33.62 ? 278 ARG A NE 1 ATOM 1681 C CZ . ARG A 1 255 ? -19.824 -9.663 -54.694 1.00 30.33 ? 278 ARG A CZ 1 ATOM 1682 N NH1 . ARG A 1 255 ? -20.251 -9.114 -53.552 1.00 28.43 ? 278 ARG A NH1 1 ATOM 1683 N NH2 . ARG A 1 255 ? -19.152 -10.800 -54.665 1.00 30.91 ? 278 ARG A NH2 1 ATOM 1684 N N . VAL A 1 256 ? -21.175 -3.846 -59.955 1.00 37.87 ? 279 VAL A N 1 ATOM 1685 C CA . VAL A 1 256 ? -21.301 -2.429 -60.293 1.00 38.67 ? 279 VAL A CA 1 ATOM 1686 C C . VAL A 1 256 ? -22.043 -2.250 -61.622 1.00 41.11 ? 279 VAL A C 1 ATOM 1687 O O . VAL A 1 256 ? -22.942 -1.406 -61.747 1.00 41.50 ? 279 VAL A O 1 ATOM 1688 C CB . VAL A 1 256 ? -19.901 -1.780 -60.319 1.00 39.09 ? 279 VAL A CB 1 ATOM 1689 C CG1 . VAL A 1 256 ? -19.920 -0.435 -61.034 1.00 40.78 ? 279 VAL A CG1 1 ATOM 1690 C CG2 . VAL A 1 256 ? -19.353 -1.639 -58.868 1.00 36.63 ? 279 VAL A CG2 1 ATOM 1691 N N . MET A 1 257 ? -21.670 -3.033 -62.634 1.00 42.97 ? 280 MET A N 1 ATOM 1692 C CA . MET A 1 257 ? -22.280 -2.860 -63.947 1.00 45.58 ? 280 MET A CA 1 ATOM 1693 C C . MET A 1 257 ? -23.783 -3.097 -63.874 1.00 45.32 ? 280 MET A C 1 ATOM 1694 O O . MET A 1 257 ? -24.565 -2.331 -64.438 1.00 46.68 ? 280 MET A O 1 ATOM 1695 C CB . MET A 1 257 ? -21.632 -3.786 -64.969 1.00 55.55 ? 280 MET A CB 1 ATOM 1696 C CG . MET A 1 257 ? -21.916 -3.371 -66.416 1.00 69.74 ? 280 MET A CG 1 ATOM 1697 S SD . MET A 1 257 ? -20.934 -1.978 -67.028 1.00 78.64 ? 280 MET A SD 1 ATOM 1698 C CE . MET A 1 257 ? -19.514 -1.998 -65.914 1.00 65.15 ? 280 MET A CE 1 ATOM 1699 N N . GLU A 1 258 ? -24.211 -4.108 -63.102 1.00 43.61 ? 281 GLU A N 1 ATOM 1700 C CA . GLU A 1 258 ? -25.645 -4.365 -62.979 1.00 43.74 ? 281 GLU A CA 1 ATOM 1701 C C . GLU A 1 258 ? -26.345 -3.248 -62.207 1.00 42.17 ? 281 GLU A C 1 ATOM 1702 O O . GLU A 1 258 ? -27.474 -2.891 -62.530 1.00 45.37 ? 281 GLU A O 1 ATOM 1703 C CB . GLU A 1 258 ? -25.922 -5.727 -62.324 1.00 44.63 ? 281 GLU A CB 1 ATOM 1704 C CG . GLU A 1 258 ? -27.424 -5.998 -62.127 1.00 50.63 ? 281 GLU A CG 1 ATOM 1705 C CD . GLU A 1 258 ? -28.173 -6.282 -63.450 1.00 56.50 ? 281 GLU A CD 1 ATOM 1706 O OE1 . GLU A 1 258 ? -29.394 -6.508 -63.401 1.00 68.26 ? 281 GLU A OE1 1 ATOM 1707 O OE2 . GLU A 1 258 ? -27.535 -6.268 -64.528 1.00 55.77 ? 281 GLU A OE2 1 ATOM 1708 N N . VAL A 1 259 ? -25.702 -2.675 -61.190 1.00 41.12 ? 282 VAL A N 1 ATOM 1709 C CA . VAL A 1 259 ? -26.293 -1.515 -60.516 1.00 39.37 ? 282 VAL A CA 1 ATOM 1710 C C . VAL A 1 259 ? -26.429 -0.353 -61.495 1.00 41.62 ? 282 VAL A C 1 ATOM 1711 O O . VAL A 1 259 ? -27.421 0.388 -61.466 1.00 42.07 ? 282 VAL A O 1 ATOM 1712 C CB . VAL A 1 259 ? -25.469 -1.122 -59.269 1.00 37.11 ? 282 VAL A CB 1 ATOM 1713 C CG1 . VAL A 1 259 ? -25.799 0.289 -58.827 1.00 36.86 ? 282 VAL A CG1 1 ATOM 1714 C CG2 . VAL A 1 259 ? -25.734 -2.088 -58.103 1.00 34.86 ? 282 VAL A CG2 1 ATOM 1715 N N . LEU A 1 260 ? -25.437 -0.177 -62.373 1.00 43.24 ? 283 LEU A N 1 ATOM 1716 C CA . LEU A 1 260 ? -25.528 0.864 -63.391 1.00 47.31 ? 283 LEU A CA 1 ATOM 1717 C C . LEU A 1 260 ? -26.676 0.585 -64.357 1.00 47.80 ? 283 LEU A C 1 ATOM 1718 O O . LEU A 1 260 ? -27.344 1.513 -64.816 1.00 49.38 ? 283 LEU A O 1 ATOM 1719 C CB . LEU A 1 260 ? -24.191 1.001 -64.133 1.00 47.21 ? 283 LEU A CB 1 ATOM 1720 C CG . LEU A 1 260 ? -23.111 1.634 -63.235 1.00 46.51 ? 283 LEU A CG 1 ATOM 1721 C CD1 . LEU A 1 260 ? -21.667 1.377 -63.723 1.00 46.57 ? 283 LEU A CD1 1 ATOM 1722 C CD2 . LEU A 1 260 ? -23.367 3.138 -63.043 1.00 46.05 ? 283 LEU A CD2 1 ATOM 1723 N N . LYS A 1 261 ? -26.935 -0.689 -64.660 1.00 47.96 ? 284 LYS A N 1 ATOM 1724 C CA . LYS A 1 261 ? -28.032 -1.015 -65.572 1.00 50.04 ? 284 LYS A CA 1 ATOM 1725 C C . LYS A 1 261 ? -29.387 -0.698 -64.955 1.00 51.50 ? 284 LYS A C 1 ATOM 1726 O O . LYS A 1 261 ? -30.312 -0.284 -65.658 1.00 51.29 ? 284 LYS A O 1 ATOM 1727 C CB . LYS A 1 261 ? -27.995 -2.481 -65.955 1.00 50.38 ? 284 LYS A CB 1 ATOM 1728 C CG . LYS A 1 261 ? -26.880 -2.851 -66.865 1.00 56.11 ? 284 LYS A CG 1 ATOM 1729 C CD . LYS A 1 261 ? -27.138 -4.229 -67.454 1.00 59.89 ? 284 LYS A CD 1 ATOM 1730 C CE . LYS A 1 261 ? -28.545 -4.727 -67.146 1.00 53.95 ? 284 LYS A CE 1 ATOM 1731 N NZ . LYS A 1 261 ? -28.993 -5.807 -68.070 1.00 57.09 ? 284 LYS A NZ 1 ATOM 1732 N N . TRP A 1 262 ? -29.532 -0.911 -63.647 1.00 46.50 ? 285 TRP A N 1 ATOM 1733 C CA . TRP A 1 262 ? -30.802 -0.595 -63.012 1.00 47.37 ? 285 TRP A CA 1 ATOM 1734 C C . TRP A 1 262 ? -31.105 0.888 -63.140 1.00 48.70 ? 285 TRP A C 1 ATOM 1735 O O . TRP A 1 262 ? -32.255 1.289 -63.347 1.00 48.11 ? 285 TRP A O 1 ATOM 1736 C CB . TRP A 1 262 ? -30.763 -1.037 -61.550 1.00 42.80 ? 285 TRP A CB 1 ATOM 1737 C CG . TRP A 1 262 ? -30.754 -2.512 -61.417 1.00 42.08 ? 285 TRP A CG 1 ATOM 1738 C CD1 . TRP A 1 262 ? -31.120 -3.410 -62.356 1.00 43.82 ? 285 TRP A CD1 1 ATOM 1739 C CD2 . TRP A 1 262 ? -30.336 -3.274 -60.286 1.00 45.13 ? 285 TRP A CD2 1 ATOM 1740 N NE1 . TRP A 1 262 ? -30.985 -4.681 -61.888 1.00 42.65 ? 285 TRP A NE1 1 ATOM 1741 C CE2 . TRP A 1 262 ? -30.506 -4.633 -60.613 1.00 44.26 ? 285 TRP A CE2 1 ATOM 1742 C CE3 . TRP A 1 262 ? -29.848 -2.941 -59.024 1.00 37.28 ? 285 TRP A CE3 1 ATOM 1743 C CZ2 . TRP A 1 262 ? -30.199 -5.659 -59.734 1.00 39.59 ? 285 TRP A CZ2 1 ATOM 1744 C CZ3 . TRP A 1 262 ? -29.539 -3.963 -58.131 1.00 42.14 ? 285 TRP A CZ3 1 ATOM 1745 C CH2 . TRP A 1 262 ? -29.718 -5.309 -58.493 1.00 38.72 ? 285 TRP A CH2 1 ATOM 1746 N N . LEU A 1 263 ? -30.076 1.717 -63.026 1.00 46.67 ? 286 LEU A N 1 ATOM 1747 C CA . LEU A 1 263 ? -30.223 3.133 -63.325 1.00 48.18 ? 286 LEU A CA 1 ATOM 1748 C C . LEU A 1 263 ? -30.562 3.397 -64.783 1.00 51.56 ? 286 LEU A C 1 ATOM 1749 O O . LEU A 1 263 ? -31.109 4.457 -65.082 1.00 53.21 ? 286 LEU A O 1 ATOM 1750 C CB . LEU A 1 263 ? -28.943 3.861 -62.964 1.00 47.42 ? 286 LEU A CB 1 ATOM 1751 C CG . LEU A 1 263 ? -28.674 3.819 -61.472 1.00 44.33 ? 286 LEU A CG 1 ATOM 1752 C CD1 . LEU A 1 263 ? -27.196 4.065 -61.223 1.00 43.56 ? 286 LEU A CD1 1 ATOM 1753 C CD2 . LEU A 1 263 ? -29.552 4.878 -60.841 1.00 44.69 ? 286 LEU A CD2 1 ATOM 1754 N N . ASP A 1 264 ? -30.212 2.485 -65.691 1.00 52.78 ? 287 ASP A N 1 ATOM 1755 C CA . ASP A 1 264 ? -30.534 2.612 -67.108 1.00 56.16 ? 287 ASP A CA 1 ATOM 1756 C C . ASP A 1 264 ? -31.933 2.116 -67.442 1.00 57.28 ? 287 ASP A C 1 ATOM 1757 O O . ASP A 1 264 ? -32.337 2.190 -68.610 1.00 60.26 ? 287 ASP A O 1 ATOM 1758 C CB . ASP A 1 264 ? -29.527 1.836 -67.962 1.00 57.24 ? 287 ASP A CB 1 ATOM 1759 C CG . ASP A 1 264 ? -28.177 2.492 -68.011 1.00 57.30 ? 287 ASP A CG 1 ATOM 1760 O OD1 . ASP A 1 264 ? -28.099 3.706 -67.732 1.00 57.43 ? 287 ASP A OD1 1 ATOM 1761 O OD2 . ASP A 1 264 ? -27.198 1.785 -68.327 1.00 57.36 ? 287 ASP A OD2 1 ATOM 1762 N N . LEU A 1 265 ? -32.662 1.602 -66.460 1.00 55.14 ? 288 LEU A N 1 ATOM 1763 C CA . LEU A 1 265 ? -33.974 1.066 -66.715 1.00 56.18 ? 288 LEU A CA 1 ATOM 1764 C C . LEU A 1 265 ? -34.943 2.180 -67.065 1.00 58.28 ? 288 LEU A C 1 ATOM 1765 O O . LEU A 1 265 ? -34.738 3.347 -66.692 1.00 58.10 ? 288 LEU A O 1 ATOM 1766 C CB . LEU A 1 265 ? -34.519 0.317 -65.513 1.00 53.49 ? 288 LEU A CB 1 ATOM 1767 C CG . LEU A 1 265 ? -33.913 -1.062 -65.264 1.00 51.94 ? 288 LEU A CG 1 ATOM 1768 C CD1 . LEU A 1 265 ? -34.406 -1.688 -63.955 1.00 49.27 ? 288 LEU A CD1 1 ATOM 1769 C CD2 . LEU A 1 265 ? -34.190 -1.976 -66.462 1.00 54.35 ? 288 LEU A CD2 1 ATOM 1770 N N . PRO A 1 266 ? -35.984 1.842 -67.829 1.00 60.56 ? 289 PRO A N 1 ATOM 1771 C CA . PRO A 1 266 ? -37.139 2.738 -67.965 1.00 62.39 ? 289 PRO A CA 1 ATOM 1772 C C . PRO A 1 266 ? -37.596 3.270 -66.610 1.00 60.07 ? 289 PRO A C 1 ATOM 1773 O O . PRO A 1 266 ? -37.607 2.561 -65.609 1.00 57.37 ? 289 PRO A O 1 ATOM 1774 C CB . PRO A 1 266 ? -38.234 1.850 -68.583 1.00 64.16 ? 289 PRO A CB 1 ATOM 1775 C CG . PRO A 1 266 ? -37.547 0.515 -68.878 1.00 63.45 ? 289 PRO A CG 1 ATOM 1776 C CD . PRO A 1 266 ? -36.084 0.715 -68.754 1.00 62.11 ? 289 PRO A CD 1 ATOM 1777 N N . LYS A 1 267 ? -37.988 4.542 -66.588 1.00 61.36 ? 290 LYS A N 1 ATOM 1778 C CA . LYS A 1 267 ? -38.433 5.190 -65.356 1.00 62.39 ? 290 LYS A CA 1 ATOM 1779 C C . LYS A 1 267 ? -39.490 4.376 -64.621 1.00 59.75 ? 290 LYS A C 1 ATOM 1780 O O . LYS A 1 267 ? -39.543 4.400 -63.386 1.00 55.82 ? 290 LYS A O 1 ATOM 1781 C CB . LYS A 1 267 ? -38.946 6.598 -65.697 1.00 63.25 ? 290 LYS A CB 1 ATOM 1782 C CG . LYS A 1 267 ? -39.819 7.231 -64.630 1.00 62.80 ? 290 LYS A CG 1 ATOM 1783 C CD . LYS A 1 267 ? -39.866 8.732 -64.832 1.00 69.54 ? 290 LYS A CD 1 ATOM 1784 C CE . LYS A 1 267 ? -41.008 9.361 -64.063 1.00 72.27 ? 290 LYS A CE 1 ATOM 1785 N NZ . LYS A 1 267 ? -42.341 8.830 -64.492 1.00 76.81 ? 290 LYS A NZ 1 ATOM 1786 N N . ALA A 1 268 ? -40.331 3.643 -65.352 1.00 60.16 ? 291 ALA A N 1 ATOM 1787 C CA . ALA A 1 268 ? -41.403 2.886 -64.708 1.00 59.35 ? 291 ALA A CA 1 ATOM 1788 C C . ALA A 1 268 ? -40.868 1.711 -63.906 1.00 56.30 ? 291 ALA A C 1 ATOM 1789 O O . ALA A 1 268 ? -41.527 1.255 -62.963 1.00 54.81 ? 291 ALA A O 1 ATOM 1790 C CB . ALA A 1 268 ? -42.400 2.369 -65.740 1.00 62.30 ? 291 ALA A CB 1 ATOM 1791 N N . LYS A 1 269 ? -39.718 1.170 -64.292 1.00 55.61 ? 292 LYS A N 1 ATOM 1792 C CA . LYS A 1 269 ? -39.144 0.035 -63.591 1.00 52.99 ? 292 LYS A CA 1 ATOM 1793 C C . LYS A 1 269 ? -37.860 0.396 -62.870 1.00 50.58 ? 292 LYS A C 1 ATOM 1794 O O . LYS A 1 269 ? -37.288 -0.461 -62.198 1.00 48.47 ? 292 LYS A O 1 ATOM 1795 C CB . LYS A 1 269 ? -38.884 -1.145 -64.546 1.00 54.28 ? 292 LYS A CB 1 ATOM 1796 C CG . LYS A 1 269 ? -40.080 -1.584 -65.419 1.00 56.93 ? 292 LYS A CG 1 ATOM 1797 C CD . LYS A 1 269 ? -40.324 -0.619 -66.583 1.00 60.13 ? 292 LYS A CD 1 ATOM 1798 C CE . LYS A 1 269 ? -41.391 -1.122 -67.567 1.00 63.17 ? 292 LYS A CE 1 ATOM 1799 N NZ . LYS A 1 269 ? -42.247 -0.000 -68.066 1.00 65.82 ? 292 LYS A NZ 1 ATOM 1800 N N . ARG A 1 270 ? -37.404 1.628 -62.982 1.00 51.11 ? 293 ARG A N 1 ATOM 1801 C CA . ARG A 1 270 ? -36.107 1.977 -62.442 1.00 49.20 ? 293 ARG A CA 1 ATOM 1802 C C . ARG A 1 270 ? -36.178 2.002 -60.921 1.00 46.33 ? 293 ARG A C 1 ATOM 1803 O O . ARG A 1 270 ? -37.111 2.603 -60.343 1.00 46.37 ? 293 ARG A O 1 ATOM 1804 C CB . ARG A 1 270 ? -35.649 3.322 -62.936 1.00 50.72 ? 293 ARG A CB 1 ATOM 1805 C CG . ARG A 1 270 ? -34.256 3.660 -62.476 1.00 50.08 ? 293 ARG A CG 1 ATOM 1806 C CD . ARG A 1 270 ? -33.783 4.973 -63.067 1.00 52.32 ? 293 ARG A CD 1 ATOM 1807 N NE . ARG A 1 270 ? -34.611 6.083 -62.627 1.00 51.49 ? 293 ARG A NE 1 ATOM 1808 C CZ . ARG A 1 270 ? -35.259 6.911 -63.446 1.00 56.16 ? 293 ARG A CZ 1 ATOM 1809 N NH1 . ARG A 1 270 ? -35.171 6.776 -64.775 1.00 57.01 ? 293 ARG A NH1 1 ATOM 1810 N NH2 . ARG A 1 270 ? -35.989 7.898 -62.938 1.00 54.86 ? 293 ARG A NH2 1 ATOM 1811 N N . PRO A 1 271 ? -35.250 1.336 -60.235 1.00 43.98 ? 294 PRO A N 1 ATOM 1812 C CA . PRO A 1 271 ? -35.203 1.431 -58.765 1.00 41.36 ? 294 PRO A CA 1 ATOM 1813 C C . PRO A 1 271 ? -34.913 2.850 -58.284 1.00 41.14 ? 294 PRO A C 1 ATOM 1814 O O . PRO A 1 271 ? -34.116 3.573 -58.873 1.00 42.16 ? 294 PRO A O 1 ATOM 1815 C CB . PRO A 1 271 ? -34.050 0.491 -58.349 1.00 39.38 ? 294 PRO A CB 1 ATOM 1816 C CG . PRO A 1 271 ? -33.399 0.071 -59.676 1.00 44.59 ? 294 PRO A CG 1 ATOM 1817 C CD . PRO A 1 271 ? -34.411 0.259 -60.737 1.00 43.79 ? 294 PRO A CD 1 ATOM 1818 N N . ASP A 1 272 ? -35.572 3.258 -57.198 1.00 40.03 ? 295 ASP A N 1 ATOM 1819 C CA . ASP A 1 272 ? -35.217 4.516 -56.537 1.00 39.54 ? 295 ASP A CA 1 ATOM 1820 C C . ASP A 1 272 ? -34.182 4.324 -55.440 1.00 36.90 ? 295 ASP A C 1 ATOM 1821 O O . ASP A 1 272 ? -33.556 5.293 -55.013 1.00 36.52 ? 295 ASP A O 1 ATOM 1822 C CB . ASP A 1 272 ? -36.468 5.155 -55.952 1.00 40.04 ? 295 ASP A CB 1 ATOM 1823 C CG . ASP A 1 272 ? -37.601 5.232 -56.988 1.00 42.77 ? 295 ASP A CG 1 ATOM 1824 O OD1 . ASP A 1 272 ? -37.412 5.855 -58.048 1.00 52.38 ? 295 ASP A OD1 1 ATOM 1825 O OD2 . ASP A 1 272 ? -38.657 4.633 -56.727 1.00 42.84 ? 295 ASP A OD2 1 ATOM 1826 N N . PHE A 1 273 ? -34.014 3.105 -54.965 1.00 35.26 ? 296 PHE A N 1 ATOM 1827 C CA . PHE A 1 273 ? -33.041 2.791 -53.933 1.00 32.90 ? 296 PHE A CA 1 ATOM 1828 C C . PHE A 1 273 ? -32.354 1.508 -54.352 1.00 32.44 ? 296 PHE A C 1 ATOM 1829 O O . PHE A 1 273 ? -33.002 0.578 -54.841 1.00 34.07 ? 296 PHE A O 1 ATOM 1830 C CB . PHE A 1 273 ? -33.701 2.655 -52.553 1.00 31.27 ? 296 PHE A CB 1 ATOM 1831 C CG . PHE A 1 273 ? -32.792 2.037 -51.509 1.00 28.97 ? 296 PHE A CG 1 ATOM 1832 C CD1 . PHE A 1 273 ? -31.873 2.816 -50.830 1.00 27.98 ? 296 PHE A CD1 1 ATOM 1833 C CD2 . PHE A 1 273 ? -32.861 0.680 -51.231 1.00 28.02 ? 296 PHE A CD2 1 ATOM 1834 C CE1 . PHE A 1 273 ? -31.018 2.246 -49.867 1.00 31.32 ? 296 PHE A CE1 1 ATOM 1835 C CE2 . PHE A 1 273 ? -32.032 0.101 -50.280 1.00 27.44 ? 296 PHE A CE2 1 ATOM 1836 C CZ . PHE A 1 273 ? -31.090 0.884 -49.601 1.00 26.59 ? 296 PHE A CZ 1 ATOM 1837 N N . SER A 1 274 ? -31.038 1.476 -54.218 1.00 31.55 ? 297 SER A N 1 ATOM 1838 C CA . SER A 1 274 ? -30.328 0.246 -54.514 1.00 33.41 ? 297 SER A CA 1 ATOM 1839 C C . SER A 1 274 ? -29.136 0.096 -53.583 1.00 29.25 ? 297 SER A C 1 ATOM 1840 O O . SER A 1 274 ? -28.559 1.074 -53.112 1.00 28.77 ? 297 SER A O 1 ATOM 1841 C CB . SER A 1 274 ? -29.885 0.174 -55.986 1.00 37.27 ? 297 SER A CB 1 ATOM 1842 O OG . SER A 1 274 ? -29.166 1.328 -56.345 1.00 42.18 ? 297 SER A OG 1 ATOM 1843 N N . THR A 1 275 ? -28.802 -1.152 -53.311 1.00 28.35 ? 298 THR A N 1 ATOM 1844 C CA . THR A 1 275 ? -27.683 -1.508 -52.468 1.00 32.25 ? 298 THR A CA 1 ATOM 1845 C C . THR A 1 275 ? -26.615 -2.178 -53.308 1.00 30.68 ? 298 THR A C 1 ATOM 1846 O O . THR A 1 275 ? -26.899 -2.845 -54.315 1.00 31.97 ? 298 THR A O 1 ATOM 1847 C CB . THR A 1 275 ? -28.089 -2.456 -51.332 1.00 30.78 ? 298 THR A CB 1 ATOM 1848 O OG1 . THR A 1 275 ? -28.337 -3.770 -51.862 1.00 27.15 ? 298 THR A OG1 1 ATOM 1849 C CG2 . THR A 1 275 ? -29.298 -1.941 -50.595 1.00 24.73 ? 298 THR A CG2 1 ATOM 1850 N N . LEU A 1 276 ? -25.386 -1.998 -52.861 1.00 31.62 ? 299 LEU A N 1 ATOM 1851 C CA . LEU A 1 276 ? -24.219 -2.616 -53.453 1.00 29.20 ? 299 LEU A CA 1 ATOM 1852 C C . LEU A 1 276 ? -23.385 -3.149 -52.302 1.00 26.25 ? 299 LEU A C 1 ATOM 1853 O O . LEU A 1 276 ? -23.212 -2.458 -51.295 1.00 24.71 ? 299 LEU A O 1 ATOM 1854 C CB . LEU A 1 276 ? -23.433 -1.602 -54.272 1.00 28.74 ? 299 LEU A CB 1 ATOM 1855 C CG . LEU A 1 276 ? -22.733 -2.015 -55.557 1.00 40.12 ? 299 LEU A CG 1 ATOM 1856 C CD1 . LEU A 1 276 ? -21.664 -0.979 -55.892 1.00 41.86 ? 299 LEU A CD1 1 ATOM 1857 C CD2 . LEU A 1 276 ? -22.105 -3.347 -55.398 1.00 41.11 ? 299 LEU A CD2 1 ATOM 1858 N N . TYR A 1 277 ? -22.871 -4.364 -52.438 1.00 29.68 ? 300 TYR A N 1 ATOM 1859 C CA . TYR A 1 277 ? -22.162 -4.993 -51.334 1.00 24.53 ? 300 TYR A CA 1 ATOM 1860 C C . TYR A 1 277 ? -20.958 -5.761 -51.857 1.00 25.41 ? 300 TYR A C 1 ATOM 1861 O O . TYR A 1 277 ? -21.084 -6.533 -52.810 1.00 26.74 ? 300 TYR A O 1 ATOM 1862 C CB . TYR A 1 277 ? -23.089 -5.930 -50.551 1.00 25.87 ? 300 TYR A CB 1 ATOM 1863 C CG . TYR A 1 277 ? -22.326 -6.823 -49.571 1.00 26.75 ? 300 TYR A CG 1 ATOM 1864 C CD1 . TYR A 1 277 ? -22.032 -6.379 -48.275 1.00 21.09 ? 300 TYR A CD1 1 ATOM 1865 C CD2 . TYR A 1 277 ? -21.879 -8.093 -49.954 1.00 27.61 ? 300 TYR A CD2 1 ATOM 1866 C CE1 . TYR A 1 277 ? -21.327 -7.187 -47.372 1.00 20.39 ? 300 TYR A CE1 1 ATOM 1867 C CE2 . TYR A 1 277 ? -21.169 -8.906 -49.062 1.00 24.34 ? 300 TYR A CE2 1 ATOM 1868 C CZ . TYR A 1 277 ? -20.898 -8.456 -47.778 1.00 26.65 ? 300 TYR A CZ 1 ATOM 1869 O OH . TYR A 1 277 ? -20.202 -9.280 -46.899 1.00 27.65 ? 300 TYR A OH 1 ATOM 1870 N N . ILE A 1 278 ? -19.789 -5.558 -51.221 1.00 26.83 ? 301 ILE A N 1 ATOM 1871 C CA . ILE A 1 278 ? -18.600 -6.349 -51.519 1.00 26.11 ? 301 ILE A CA 1 ATOM 1872 C C . ILE A 1 278 ? -18.024 -6.847 -50.202 1.00 24.21 ? 301 ILE A C 1 ATOM 1873 O O . ILE A 1 278 ? -18.159 -6.200 -49.158 1.00 25.49 ? 301 ILE A O 1 ATOM 1874 C CB . ILE A 1 278 ? -17.524 -5.580 -52.343 1.00 26.91 ? 301 ILE A CB 1 ATOM 1875 C CG1 . ILE A 1 278 ? -16.951 -4.379 -51.573 1.00 26.08 ? 301 ILE A CG1 1 ATOM 1876 C CG2 . ILE A 1 278 ? -18.088 -5.125 -53.698 1.00 28.52 ? 301 ILE A CG2 1 ATOM 1877 C CD1 . ILE A 1 278 ? -15.869 -3.621 -52.365 1.00 27.52 ? 301 ILE A CD1 1 ATOM 1878 N N . GLU A 1 279 ? -17.392 -8.020 -50.260 1.00 25.93 ? 302 GLU A N 1 ATOM 1879 C CA . GLU A 1 279 ? -16.871 -8.726 -49.094 1.00 25.04 ? 302 GLU A CA 1 ATOM 1880 C C . GLU A 1 279 ? -15.504 -8.223 -48.636 1.00 26.98 ? 302 GLU A C 1 ATOM 1881 O O . GLU A 1 279 ? -15.040 -8.630 -47.558 1.00 27.53 ? 302 GLU A O 1 ATOM 1882 C CB . GLU A 1 279 ? -16.759 -10.232 -49.394 1.00 24.85 ? 302 GLU A CB 1 ATOM 1883 C CG . GLU A 1 279 ? -18.066 -10.974 -49.705 1.00 25.00 ? 302 GLU A CG 1 ATOM 1884 C CD . GLU A 1 279 ? -18.573 -10.746 -51.117 1.00 28.56 ? 302 GLU A CD 1 ATOM 1885 O OE1 . GLU A 1 279 ? -19.766 -11.034 -51.380 1.00 31.77 ? 302 GLU A OE1 1 ATOM 1886 O OE2 . GLU A 1 279 ? -17.792 -10.280 -51.970 1.00 29.73 ? 302 GLU A OE2 1 ATOM 1887 N N . GLU A 1 280 ? -14.837 -7.411 -49.447 1.00 24.87 ? 303 GLU A N 1 ATOM 1888 C CA . GLU A 1 280 ? -13.538 -6.833 -49.054 1.00 25.82 ? 303 GLU A CA 1 ATOM 1889 C C . GLU A 1 280 ? -13.763 -5.418 -48.457 1.00 23.94 ? 303 GLU A C 1 ATOM 1890 O O . GLU A 1 280 ? -14.671 -4.716 -48.909 1.00 23.86 ? 303 GLU A O 1 ATOM 1891 C CB . GLU A 1 280 ? -12.572 -6.774 -50.244 1.00 27.97 ? 303 GLU A CB 1 ATOM 1892 C CG . GLU A 1 280 ? -12.039 -8.143 -50.672 1.00 30.49 ? 303 GLU A CG 1 ATOM 1893 C CD . GLU A 1 280 ? -11.273 -8.913 -49.562 1.00 35.58 ? 303 GLU A CD 1 ATOM 1894 O OE1 . GLU A 1 280 ? -10.627 -9.892 -49.932 1.00 42.70 ? 303 GLU A OE1 1 ATOM 1895 O OE2 . GLU A 1 280 ? -11.345 -8.597 -48.352 1.00 36.79 ? 303 GLU A OE2 1 ATOM 1896 N N . PRO A 1 281 ? -12.930 -5.011 -47.487 1.00 26.31 ? 304 PRO A N 1 ATOM 1897 C CA . PRO A 1 281 ? -11.680 -5.646 -47.033 1.00 23.82 ? 304 PRO A CA 1 ATOM 1898 C C . PRO A 1 281 ? -11.829 -6.759 -45.945 1.00 25.47 ? 304 PRO A C 1 ATOM 1899 O O . PRO A 1 281 ? -10.812 -7.189 -45.360 1.00 23.88 ? 304 PRO A O 1 ATOM 1900 C CB . PRO A 1 281 ? -10.854 -4.478 -46.474 1.00 23.68 ? 304 PRO A CB 1 ATOM 1901 C CG . PRO A 1 281 ? -11.932 -3.468 -46.044 1.00 22.39 ? 304 PRO A CG 1 ATOM 1902 C CD . PRO A 1 281 ? -13.105 -3.688 -46.982 1.00 22.59 ? 304 PRO A CD 1 ATOM 1903 N N . ASP A 1 282 ? -13.067 -7.194 -45.658 1.00 24.99 ? 305 ASP A N 1 ATOM 1904 C CA . ASP A 1 282 ? -13.312 -8.139 -44.564 1.00 21.13 ? 305 ASP A CA 1 ATOM 1905 C C . ASP A 1 282 ? -12.623 -9.474 -44.815 1.00 23.80 ? 305 ASP A C 1 ATOM 1906 O O . ASP A 1 282 ? -11.931 -9.995 -43.934 1.00 24.58 ? 305 ASP A O 1 ATOM 1907 C CB . ASP A 1 282 ? -14.818 -8.356 -44.360 1.00 22.26 ? 305 ASP A CB 1 ATOM 1908 C CG . ASP A 1 282 ? -15.137 -9.378 -43.210 1.00 25.42 ? 305 ASP A CG 1 ATOM 1909 O OD1 . ASP A 1 282 ? -15.225 -9.013 -42.001 1.00 20.84 ? 305 ASP A OD1 1 ATOM 1910 O OD2 . ASP A 1 282 ? -15.218 -10.578 -43.536 1.00 24.05 ? 305 ASP A OD2 1 ATOM 1911 N N . THR A 1 283 ? -12.789 -10.041 -46.023 1.00 23.84 ? 306 THR A N 1 ATOM 1912 C CA . THR A 1 283 ? -12.219 -11.356 -46.311 1.00 25.20 ? 306 THR A CA 1 ATOM 1913 C C . THR A 1 283 ? -10.710 -11.368 -46.109 1.00 26.17 ? 306 THR A C 1 ATOM 1914 O O . THR A 1 283 ? -10.181 -12.205 -45.374 1.00 26.46 ? 306 THR A O 1 ATOM 1915 C CB . THR A 1 283 ? -12.586 -11.800 -47.726 1.00 26.57 ? 306 THR A CB 1 ATOM 1916 O OG1 . THR A 1 283 ? -14.017 -11.799 -47.836 1.00 25.73 ? 306 THR A OG1 1 ATOM 1917 C CG2 . THR A 1 283 ? -12.037 -13.223 -48.010 1.00 28.15 ? 306 THR A CG2 1 ATOM 1918 N N . THR A 1 284 ? -9.997 -10.454 -46.760 1.00 32.69 ? 307 THR A N 1 ATOM 1919 C CA . THR A 1 284 ? -8.544 -10.432 -46.599 1.00 27.71 ? 307 THR A CA 1 ATOM 1920 C C . THR A 1 284 ? -8.170 -10.026 -45.171 1.00 28.21 ? 307 THR A C 1 ATOM 1921 O O . THR A 1 284 ? -7.221 -10.564 -44.594 1.00 27.26 ? 307 THR A O 1 ATOM 1922 C CB . THR A 1 284 ? -7.928 -9.509 -47.651 1.00 28.87 ? 307 THR A CB 1 ATOM 1923 O OG1 . THR A 1 284 ? -8.236 -10.017 -48.954 1.00 30.22 ? 307 THR A OG1 1 ATOM 1924 C CG2 . THR A 1 284 ? -6.406 -9.418 -47.506 1.00 30.21 ? 307 THR A CG2 1 ATOM 1925 N N . GLY A 1 285 ? -8.957 -9.145 -44.555 1.00 24.85 ? 308 GLY A N 1 ATOM 1926 C CA . GLY A 1 285 ? -8.670 -8.759 -43.182 1.00 23.83 ? 308 GLY A CA 1 ATOM 1927 C C . GLY A 1 285 ? -8.679 -9.939 -42.226 1.00 28.67 ? 308 GLY A C 1 ATOM 1928 O O . GLY A 1 285 ? -7.848 -10.017 -41.322 1.00 25.71 ? 308 GLY A O 1 ATOM 1929 N N . HIS A 1 286 ? -9.645 -10.854 -42.395 1.00 23.47 ? 309 HIS A N 1 ATOM 1930 C CA . HIS A 1 286 ? -9.668 -12.083 -41.605 1.00 28.50 ? 309 HIS A CA 1 ATOM 1931 C C . HIS A 1 286 ? -8.402 -12.900 -41.809 1.00 31.24 ? 309 HIS A C 1 ATOM 1932 O O . HIS A 1 286 ? -7.823 -13.437 -40.852 1.00 35.59 ? 309 HIS A O 1 ATOM 1933 C CB . HIS A 1 286 ? -10.885 -12.929 -41.990 1.00 25.85 ? 309 HIS A CB 1 ATOM 1934 C CG . HIS A 1 286 ? -12.156 -12.466 -41.359 1.00 24.41 ? 309 HIS A CG 1 ATOM 1935 N ND1 . HIS A 1 286 ? -12.389 -12.572 -40.011 1.00 24.05 ? 309 HIS A ND1 1 ATOM 1936 C CD2 . HIS A 1 286 ? -13.265 -11.907 -41.892 1.00 22.74 ? 309 HIS A CD2 1 ATOM 1937 C CE1 . HIS A 1 286 ? -13.587 -12.086 -39.733 1.00 23.74 ? 309 HIS A CE1 1 ATOM 1938 N NE2 . HIS A 1 286 ? -14.143 -11.688 -40.860 1.00 28.00 ? 309 HIS A NE2 1 ATOM 1939 N N . LYS A 1 287 ? -7.973 -13.028 -43.053 1.00 26.92 ? 310 LYS A N 1 ATOM 1940 C CA . LYS A 1 287 ? -6.901 -13.959 -43.361 1.00 28.94 ? 310 LYS A CA 1 ATOM 1941 C C . LYS A 1 287 ? -5.542 -13.422 -42.912 1.00 32.08 ? 310 LYS A C 1 ATOM 1942 O O . LYS A 1 287 ? -4.715 -14.175 -42.378 1.00 30.86 ? 310 LYS A O 1 ATOM 1943 C CB . LYS A 1 287 ? -6.919 -14.251 -44.862 1.00 30.34 ? 310 LYS A CB 1 ATOM 1944 C CG . LYS A 1 287 ? -5.847 -15.248 -45.294 1.00 33.29 ? 310 LYS A CG 1 ATOM 1945 C CD . LYS A 1 287 ? -6.321 -16.099 -46.466 1.00 36.20 ? 310 LYS A CD 1 ATOM 1946 C CE . LYS A 1 287 ? -5.213 -17.061 -46.881 1.00 46.21 ? 310 LYS A CE 1 ATOM 1947 N NZ . LYS A 1 287 ? -5.639 -18.474 -46.746 1.00 53.19 ? 310 LYS A NZ 1 ATOM 1948 N N . PHE A 1 288 ? -5.295 -12.131 -43.109 1.00 29.14 ? 311 PHE A N 1 ATOM 1949 C CA . PHE A 1 288 ? -3.986 -11.554 -42.847 1.00 30.08 ? 311 PHE A CA 1 ATOM 1950 C C . PHE A 1 288 ? -3.978 -10.478 -41.763 1.00 28.64 ? 311 PHE A C 1 ATOM 1951 O O . PHE A 1 288 ? -2.896 -10.022 -41.381 1.00 30.33 ? 311 PHE A O 1 ATOM 1952 C CB . PHE A 1 288 ? -3.403 -10.999 -44.155 1.00 31.43 ? 311 PHE A CB 1 ATOM 1953 C CG . PHE A 1 288 ? -3.176 -12.060 -45.212 1.00 33.31 ? 311 PHE A CG 1 ATOM 1954 C CD1 . PHE A 1 288 ? -2.091 -12.925 -45.128 1.00 35.27 ? 311 PHE A CD1 1 ATOM 1955 C CD2 . PHE A 1 288 ? -4.047 -12.199 -46.277 1.00 33.29 ? 311 PHE A CD2 1 ATOM 1956 C CE1 . PHE A 1 288 ? -1.888 -13.910 -46.089 1.00 37.17 ? 311 PHE A CE1 1 ATOM 1957 C CE2 . PHE A 1 288 ? -3.835 -13.188 -47.246 1.00 35.19 ? 311 PHE A CE2 1 ATOM 1958 C CZ . PHE A 1 288 ? -2.754 -14.035 -47.139 1.00 37.11 ? 311 PHE A CZ 1 ATOM 1959 N N . GLY A 1 289 ? -5.130 -10.074 -41.237 1.00 30.33 ? 312 GLY A N 1 ATOM 1960 C CA . GLY A 1 289 ? -5.138 -9.066 -40.200 1.00 31.89 ? 312 GLY A CA 1 ATOM 1961 C C . GLY A 1 289 ? -5.189 -7.664 -40.776 1.00 30.76 ? 312 GLY A C 1 ATOM 1962 O O . GLY A 1 289 ? -4.871 -7.430 -41.956 1.00 27.53 ? 312 GLY A O 1 ATOM 1963 N N . PRO A 1 290 ? -5.578 -6.693 -39.940 1.00 23.85 ? 313 PRO A N 1 ATOM 1964 C CA . PRO A 1 290 ? -5.872 -5.361 -40.476 1.00 28.14 ? 313 PRO A CA 1 ATOM 1965 C C . PRO A 1 290 ? -4.633 -4.549 -40.823 1.00 31.96 ? 313 PRO A C 1 ATOM 1966 O O . PRO A 1 290 ? -4.763 -3.524 -41.499 1.00 32.60 ? 313 PRO A O 1 ATOM 1967 C CB . PRO A 1 290 ? -6.700 -4.703 -39.360 1.00 21.78 ? 313 PRO A CB 1 ATOM 1968 C CG . PRO A 1 290 ? -6.218 -5.393 -38.074 1.00 21.77 ? 313 PRO A CG 1 ATOM 1969 C CD . PRO A 1 290 ? -5.892 -6.807 -38.496 1.00 22.78 ? 313 PRO A CD 1 ATOM 1970 N N . VAL A 1 291 ? -3.440 -4.960 -40.399 1.00 25.99 ? 314 VAL A N 1 ATOM 1971 C CA . VAL A 1 291 ? -2.229 -4.249 -40.785 1.00 30.09 ? 314 VAL A CA 1 ATOM 1972 C C . VAL A 1 291 ? -1.392 -5.226 -41.597 1.00 37.73 ? 314 VAL A C 1 ATOM 1973 O O . VAL A 1 291 ? -0.551 -5.943 -41.040 1.00 45.75 ? 314 VAL A O 1 ATOM 1974 C CB . VAL A 1 291 ? -1.457 -3.704 -39.566 1.00 35.95 ? 314 VAL A CB 1 ATOM 1975 C CG1 . VAL A 1 291 ? -0.236 -2.890 -40.025 1.00 37.79 ? 314 VAL A CG1 1 ATOM 1976 C CG2 . VAL A 1 291 ? -2.362 -2.841 -38.676 1.00 35.85 ? 314 VAL A CG2 1 ATOM 1977 N N . SER A 1 292 ? -1.665 -5.303 -42.901 1.00 31.00 ? 315 SER A N 1 ATOM 1978 C CA . SER A 1 292 ? -1.012 -6.250 -43.793 1.00 31.91 ? 315 SER A CA 1 ATOM 1979 C C . SER A 1 292 ? -1.038 -5.697 -45.210 1.00 32.94 ? 315 SER A C 1 ATOM 1980 O O . SER A 1 292 ? -2.013 -5.062 -45.635 1.00 31.90 ? 315 SER A O 1 ATOM 1981 C CB . SER A 1 292 ? -1.665 -7.642 -43.766 1.00 31.56 ? 315 SER A CB 1 ATOM 1982 O OG . SER A 1 292 ? -3.003 -7.603 -44.259 1.00 34.62 ? 315 SER A OG 1 ATOM 1983 N N . GLY A 1 293 ? 0.047 -5.961 -45.934 1.00 35.18 ? 316 GLY A N 1 ATOM 1984 C CA . GLY A 1 293 ? 0.065 -5.636 -47.347 1.00 36.54 ? 316 GLY A CA 1 ATOM 1985 C C . GLY A 1 293 ? -1.119 -6.213 -48.091 1.00 35.88 ? 316 GLY A C 1 ATOM 1986 O O . GLY A 1 293 ? -1.652 -5.579 -49.001 1.00 36.02 ? 316 GLY A O 1 ATOM 1987 N N . GLN A 1 294 ? -1.580 -7.395 -47.684 1.00 35.24 ? 317 GLN A N 1 ATOM 1988 C CA . GLN A 1 294 ? -2.703 -8.012 -48.367 1.00 34.77 ? 317 GLN A CA 1 ATOM 1989 C C . GLN A 1 294 ? -3.965 -7.170 -48.217 1.00 32.75 ? 317 GLN A C 1 ATOM 1990 O O . GLN A 1 294 ? -4.710 -6.978 -49.184 1.00 32.91 ? 317 GLN A O 1 ATOM 1991 C CB . GLN A 1 294 ? -2.920 -9.430 -47.843 1.00 34.58 ? 317 GLN A CB 1 ATOM 1992 C CG . GLN A 1 294 ? -1.829 -10.429 -48.235 1.00 36.95 ? 317 GLN A CG 1 ATOM 1993 C CD . GLN A 1 294 ? -0.608 -10.405 -47.324 1.00 40.04 ? 317 GLN A CD 1 ATOM 1994 O OE1 . GLN A 1 294 ? -0.427 -9.510 -46.471 1.00 36.55 ? 317 GLN A OE1 1 ATOM 1995 N NE2 . GLN A 1 294 ? 0.265 -11.399 -47.517 1.00 41.88 ? 317 GLN A NE2 1 ATOM 1996 N N . VAL A 1 295 ? -4.204 -6.628 -47.024 1.00 31.04 ? 318 VAL A N 1 ATOM 1997 C CA . VAL A 1 295 ? -5.397 -5.819 -46.842 1.00 35.57 ? 318 VAL A CA 1 ATOM 1998 C C . VAL A 1 295 ? -5.319 -4.555 -47.686 1.00 32.45 ? 318 VAL A C 1 ATOM 1999 O O . VAL A 1 295 ? -6.301 -4.162 -48.327 1.00 29.60 ? 318 VAL A O 1 ATOM 2000 C CB . VAL A 1 295 ? -5.622 -5.516 -45.351 1.00 33.45 ? 318 VAL A CB 1 ATOM 2001 C CG1 . VAL A 1 295 ? -6.483 -4.273 -45.190 1.00 34.04 ? 318 VAL A CG1 1 ATOM 2002 C CG2 . VAL A 1 295 ? -6.345 -6.685 -44.737 1.00 32.45 ? 318 VAL A CG2 1 ATOM 2003 N N . ILE A 1 296 ? -4.149 -3.918 -47.736 1.00 31.24 ? 319 ILE A N 1 ATOM 2004 C CA . ILE A 1 296 ? -4.021 -2.748 -48.603 1.00 37.06 ? 319 ILE A CA 1 ATOM 2005 C C . ILE A 1 296 ? -4.334 -3.105 -50.048 1.00 33.62 ? 319 ILE A C 1 ATOM 2006 O O . ILE A 1 296 ? -5.008 -2.342 -50.740 1.00 33.72 ? 319 ILE A O 1 ATOM 2007 C CB . ILE A 1 296 ? -2.639 -2.097 -48.460 1.00 33.69 ? 319 ILE A CB 1 ATOM 2008 C CG1 . ILE A 1 296 ? -2.610 -1.358 -47.125 1.00 33.01 ? 319 ILE A CG1 1 ATOM 2009 C CG2 . ILE A 1 296 ? -2.379 -1.143 -49.631 1.00 35.40 ? 319 ILE A CG2 1 ATOM 2010 C CD1 . ILE A 1 296 ? -1.240 -1.211 -46.580 1.00 35.31 ? 319 ILE A CD1 1 ATOM 2011 N N . LYS A 1 297 ? -3.891 -4.275 -50.518 1.00 34.83 ? 320 LYS A N 1 ATOM 2012 C CA . LYS A 1 297 ? -4.261 -4.692 -51.875 1.00 36.22 ? 320 LYS A CA 1 ATOM 2013 C C . LYS A 1 297 ? -5.772 -4.843 -52.002 1.00 36.66 ? 320 LYS A C 1 ATOM 2014 O O . LYS A 1 297 ? -6.376 -4.395 -52.989 1.00 36.26 ? 320 LYS A O 1 ATOM 2015 C CB . LYS A 1 297 ? -3.559 -5.998 -52.245 1.00 37.79 ? 320 LYS A CB 1 ATOM 2016 C CG . LYS A 1 297 ? -2.086 -5.834 -52.655 1.00 44.52 ? 320 LYS A CG 1 ATOM 2017 C CD . LYS A 1 297 ? -1.511 -7.148 -53.182 1.00 53.58 ? 320 LYS A CD 1 ATOM 2018 C CE . LYS A 1 297 ? -0.413 -7.699 -52.265 1.00 59.99 ? 320 LYS A CE 1 ATOM 2019 N NZ . LYS A 1 297 ? -0.565 -9.153 -51.917 1.00 60.03 ? 320 LYS A NZ 1 ATOM 2020 N N . SER A 1 298 ? -6.404 -5.443 -50.995 1.00 32.88 ? 321 SER A N 1 ATOM 2021 C CA . SER A 1 298 ? -7.847 -5.603 -51.037 1.00 32.49 ? 321 SER A CA 1 ATOM 2022 C C . SER A 1 298 ? -8.555 -4.253 -50.984 1.00 31.91 ? 321 SER A C 1 ATOM 2023 O O . SER A 1 298 ? -9.597 -4.076 -51.632 1.00 34.52 ? 321 SER A O 1 ATOM 2024 C CB . SER A 1 298 ? -8.300 -6.508 -49.889 1.00 29.92 ? 321 SER A CB 1 ATOM 2025 O OG . SER A 1 298 ? -8.419 -5.758 -48.690 1.00 28.25 ? 321 SER A OG 1 ATOM 2026 N N . LEU A 1 299 ? -7.990 -3.283 -50.261 1.00 30.17 ? 322 LEU A N 1 ATOM 2027 C CA . LEU A 1 299 ? -8.605 -1.959 -50.181 1.00 29.53 ? 322 LEU A CA 1 ATOM 2028 C C . LEU A 1 299 ? -8.488 -1.217 -51.501 1.00 31.38 ? 322 LEU A C 1 ATOM 2029 O O . LEU A 1 299 ? -9.379 -0.442 -51.866 1.00 34.67 ? 322 LEU A O 1 ATOM 2030 C CB . LEU A 1 299 ? -7.961 -1.125 -49.071 1.00 28.81 ? 322 LEU A CB 1 ATOM 2031 C CG . LEU A 1 299 ? -8.267 -1.460 -47.615 1.00 26.86 ? 322 LEU A CG 1 ATOM 2032 C CD1 . LEU A 1 299 ? -7.226 -0.850 -46.704 1.00 26.88 ? 322 LEU A CD1 1 ATOM 2033 C CD2 . LEU A 1 299 ? -9.662 -0.946 -47.213 1.00 28.94 ? 322 LEU A CD2 1 ATOM 2034 N N . GLN A 1 300 ? -7.378 -1.414 -52.208 1.00 33.31 ? 323 GLN A N 1 ATOM 2035 C CA . GLN A 1 300 ? -7.248 -0.851 -53.542 1.00 36.84 ? 323 GLN A CA 1 ATOM 2036 C C . GLN A 1 300 ? -8.237 -1.491 -54.504 1.00 35.82 ? 323 GLN A C 1 ATOM 2037 O O . GLN A 1 300 ? -8.819 -0.810 -55.350 1.00 36.71 ? 323 GLN A O 1 ATOM 2038 C CB . GLN A 1 300 ? -5.817 -1.016 -54.014 1.00 37.47 ? 323 GLN A CB 1 ATOM 2039 C CG . GLN A 1 300 ? -4.893 -0.145 -53.211 1.00 38.02 ? 323 GLN A CG 1 ATOM 2040 C CD . GLN A 1 300 ? -3.509 -0.092 -53.781 1.00 40.73 ? 323 GLN A CD 1 ATOM 2041 O OE1 . GLN A 1 300 ? -2.851 -1.113 -53.920 1.00 48.20 ? 323 GLN A OE1 1 ATOM 2042 N NE2 . GLN A 1 300 ? -3.052 1.104 -54.117 1.00 44.53 ? 323 GLN A NE2 1 ATOM 2043 N N . MET A 1 301 ? -8.460 -2.791 -54.367 1.00 35.34 ? 324 MET A N 1 ATOM 2044 C CA . MET A 1 301 ? -9.467 -3.436 -55.188 1.00 35.71 ? 324 MET A CA 1 ATOM 2045 C C . MET A 1 301 ? -10.852 -2.914 -54.827 1.00 37.72 ? 324 MET A C 1 ATOM 2046 O O . MET A 1 301 ? -11.700 -2.709 -55.702 1.00 39.12 ? 324 MET A O 1 ATOM 2047 C CB . MET A 1 301 ? -9.377 -4.947 -55.022 1.00 39.26 ? 324 MET A CB 1 ATOM 2048 C CG . MET A 1 301 ? -10.155 -5.717 -56.042 1.00 52.03 ? 324 MET A CG 1 ATOM 2049 S SD . MET A 1 301 ? -10.804 -7.192 -55.248 1.00 63.89 ? 324 MET A SD 1 ATOM 2050 C CE . MET A 1 301 ? -9.318 -8.025 -54.837 1.00 54.19 ? 324 MET A CE 1 ATOM 2051 N N . ALA A 1 302 ? -11.088 -2.645 -53.538 1.00 37.66 ? 325 ALA A N 1 ATOM 2052 C CA . ALA A 1 302 ? -12.320 -1.959 -53.159 1.00 35.31 ? 325 ALA A CA 1 ATOM 2053 C C . ALA A 1 302 ? -12.348 -0.560 -53.744 1.00 39.76 ? 325 ALA A C 1 ATOM 2054 O O . ALA A 1 302 ? -13.380 -0.120 -54.258 1.00 38.80 ? 325 ALA A O 1 ATOM 2055 C CB . ALA A 1 302 ? -12.479 -1.901 -51.636 1.00 29.56 ? 325 ALA A CB 1 ATOM 2056 N N . ASP A 1 303 ? -11.214 0.149 -53.693 1.00 37.90 ? 326 ASP A N 1 ATOM 2057 C CA . ASP A 1 303 ? -11.188 1.502 -54.232 1.00 38.33 ? 326 ASP A CA 1 ATOM 2058 C C . ASP A 1 303 ? -11.519 1.529 -55.722 1.00 37.51 ? 326 ASP A C 1 ATOM 2059 O O . ASP A 1 303 ? -12.199 2.447 -56.189 1.00 37.57 ? 326 ASP A O 1 ATOM 2060 C CB . ASP A 1 303 ? -9.834 2.160 -54.004 1.00 34.59 ? 326 ASP A CB 1 ATOM 2061 C CG . ASP A 1 303 ? -9.839 3.601 -54.442 1.00 35.83 ? 326 ASP A CG 1 ATOM 2062 O OD1 . ASP A 1 303 ? -10.425 4.423 -53.711 1.00 37.11 ? 326 ASP A OD1 1 ATOM 2063 O OD2 . ASP A 1 303 ? -9.312 3.910 -55.527 1.00 38.09 ? 326 ASP A OD2 1 ATOM 2064 N N . ARG A 1 304 ? -11.029 0.549 -56.489 1.00 40.31 ? 327 ARG A N 1 ATOM 2065 C CA . ARG A 1 304 ? -11.331 0.510 -57.923 1.00 39.29 ? 327 ARG A CA 1 ATOM 2066 C C . ARG A 1 304 ? -12.794 0.158 -58.172 1.00 41.55 ? 327 ARG A C 1 ATOM 2067 O O . ARG A 1 304 ? -13.397 0.613 -59.161 1.00 40.19 ? 327 ARG A O 1 ATOM 2068 C CB . ARG A 1 304 ? -10.417 -0.495 -58.639 1.00 40.95 ? 327 ARG A CB 1 ATOM 2069 C CG . ARG A 1 304 ? -9.199 0.093 -59.355 1.00 47.01 ? 327 ARG A CG 1 ATOM 2070 C CD . ARG A 1 304 ? -7.892 -0.653 -59.028 1.00 53.10 ? 327 ARG A CD 1 ATOM 2071 N NE . ARG A 1 304 ? -8.051 -2.102 -59.035 1.00 57.31 ? 327 ARG A NE 1 ATOM 2072 C CZ . ARG A 1 304 ? -7.353 -2.936 -58.255 1.00 53.37 ? 327 ARG A CZ 1 ATOM 2073 N NH1 . ARG A 1 304 ? -6.439 -2.473 -57.413 1.00 52.67 ? 327 ARG A NH1 1 ATOM 2074 N NH2 . ARG A 1 304 ? -7.573 -4.246 -58.301 1.00 56.34 ? 327 ARG A NH2 1 ATOM 2075 N N . THR A 1 305 ? -13.373 -0.679 -57.310 1.00 41.00 ? 328 THR A N 1 ATOM 2076 C CA . THR A 1 305 ? -14.800 -0.972 -57.418 1.00 37.88 ? 328 THR A CA 1 ATOM 2077 C C . THR A 1 305 ? -15.609 0.312 -57.363 1.00 37.28 ? 328 THR A C 1 ATOM 2078 O O . THR A 1 305 ? -16.511 0.542 -58.175 1.00 40.84 ? 328 THR A O 1 ATOM 2079 C CB . THR A 1 305 ? -15.247 -1.917 -56.299 1.00 34.43 ? 328 THR A CB 1 ATOM 2080 O OG1 . THR A 1 305 ? -14.566 -3.162 -56.422 1.00 36.85 ? 328 THR A OG1 1 ATOM 2081 C CG2 . THR A 1 305 ? -16.799 -2.147 -56.357 1.00 37.11 ? 328 THR A CG2 1 ATOM 2082 N N . LEU A 1 306 ? -15.295 1.157 -56.393 1.00 38.63 ? 329 LEU A N 1 ATOM 2083 C CA . LEU A 1 306 ? -16.004 2.415 -56.235 1.00 39.00 ? 329 LEU A CA 1 ATOM 2084 C C . LEU A 1 306 ? -15.665 3.378 -57.367 1.00 39.85 ? 329 LEU A C 1 ATOM 2085 O O . LEU A 1 306 ? -16.507 4.179 -57.785 1.00 42.48 ? 329 LEU A O 1 ATOM 2086 C CB . LEU A 1 306 ? -15.644 3.016 -54.884 1.00 36.92 ? 329 LEU A CB 1 ATOM 2087 C CG . LEU A 1 306 ? -16.320 4.311 -54.470 1.00 40.77 ? 329 LEU A CG 1 ATOM 2088 C CD1 . LEU A 1 306 ? -15.537 5.537 -54.958 1.00 39.09 ? 329 LEU A CD1 1 ATOM 2089 C CD2 . LEU A 1 306 ? -17.803 4.336 -54.868 1.00 33.12 ? 329 LEU A CD2 1 ATOM 2090 N N . GLY A 1 307 ? -14.423 3.339 -57.848 1.00 38.43 ? 330 GLY A N 1 ATOM 2091 C CA . GLY A 1 307 ? -14.063 4.151 -59.007 1.00 42.18 ? 330 GLY A CA 1 ATOM 2092 C C . GLY A 1 307 ? -14.928 3.846 -60.214 1.00 42.74 ? 330 GLY A C 1 ATOM 2093 O O . GLY A 1 307 ? -15.482 4.750 -60.843 1.00 44.22 ? 330 GLY A O 1 ATOM 2094 N N . MET A 1 308 ? -15.069 2.559 -60.537 1.00 42.68 ? 331 MET A N 1 ATOM 2095 C CA . MET A 1 308 ? -15.942 2.138 -61.632 1.00 44.16 ? 331 MET A CA 1 ATOM 2096 C C . MET A 1 308 ? -17.358 2.662 -61.463 1.00 43.55 ? 331 MET A C 1 ATOM 2097 O O . MET A 1 308 ? -17.991 3.088 -62.439 1.00 45.51 ? 331 MET A O 1 ATOM 2098 C CB . MET A 1 308 ? -15.960 0.626 -61.714 1.00 44.11 ? 331 MET A CB 1 ATOM 2099 C CG . MET A 1 308 ? -14.724 0.089 -62.298 1.00 55.84 ? 331 MET A CG 1 ATOM 2100 S SD . MET A 1 308 ? -15.133 -1.507 -62.961 1.00 71.69 ? 331 MET A SD 1 ATOM 2101 C CE . MET A 1 308 ? -13.900 -2.369 -62.054 1.00 57.05 ? 331 MET A CE 1 ATOM 2102 N N . LEU A 1 309 ? -17.873 2.648 -60.231 1.00 42.59 ? 332 LEU A N 1 ATOM 2103 C CA . LEU A 1 309 ? -19.236 3.125 -60.017 1.00 40.52 ? 332 LEU A CA 1 ATOM 2104 C C . LEU A 1 309 ? -19.357 4.611 -60.327 1.00 43.44 ? 332 LEU A C 1 ATOM 2105 O O . LEU A 1 309 ? -20.304 5.034 -61.005 1.00 43.37 ? 332 LEU A O 1 ATOM 2106 C CB . LEU A 1 309 ? -19.680 2.851 -58.584 1.00 37.69 ? 332 LEU A CB 1 ATOM 2107 C CG . LEU A 1 309 ? -21.069 3.392 -58.230 1.00 37.27 ? 332 LEU A CG 1 ATOM 2108 C CD1 . LEU A 1 309 ? -22.158 2.672 -59.050 1.00 38.14 ? 332 LEU A CD1 1 ATOM 2109 C CD2 . LEU A 1 309 ? -21.367 3.323 -56.690 1.00 34.46 ? 332 LEU A CD2 1 ATOM 2110 N N . MET A 1 310 ? -18.406 5.415 -59.836 1.00 41.76 ? 333 MET A N 1 ATOM 2111 C CA . MET A 1 310 ? -18.461 6.863 -60.030 1.00 43.16 ? 333 MET A CA 1 ATOM 2112 C C . MET A 1 310 ? -18.269 7.253 -61.491 1.00 46.35 ? 333 MET A C 1 ATOM 2113 O O . MET A 1 310 ? -18.904 8.199 -61.971 1.00 47.97 ? 333 MET A O 1 ATOM 2114 C CB . MET A 1 310 ? -17.399 7.571 -59.178 1.00 47.43 ? 333 MET A CB 1 ATOM 2115 C CG . MET A 1 310 ? -17.513 7.324 -57.704 1.00 41.31 ? 333 MET A CG 1 ATOM 2116 S SD . MET A 1 310 ? -19.238 7.181 -57.332 1.00 49.88 ? 333 MET A SD 1 ATOM 2117 C CE . MET A 1 310 ? -19.821 8.765 -56.775 1.00 46.76 ? 333 MET A CE 1 ATOM 2118 N N . GLU A 1 311 ? -17.363 6.583 -62.203 1.00 47.50 ? 334 GLU A N 1 ATOM 2119 C CA . GLU A 1 311 ? -17.182 6.903 -63.617 1.00 50.72 ? 334 GLU A CA 1 ATOM 2120 C C . GLU A 1 311 ? -18.433 6.529 -64.403 1.00 51.76 ? 334 GLU A C 1 ATOM 2121 O O . GLU A 1 311 ? -18.864 7.268 -65.292 1.00 54.21 ? 334 GLU A O 1 ATOM 2122 C CB . GLU A 1 311 ? -15.940 6.193 -64.171 1.00 51.79 ? 334 GLU A CB 1 ATOM 2123 C CG . GLU A 1 311 ? -14.658 6.418 -63.348 1.00 50.76 ? 334 GLU A CG 1 ATOM 2124 C CD . GLU A 1 311 ? -13.978 7.763 -63.637 1.00 57.14 ? 334 GLU A CD 1 ATOM 2125 O OE1 . GLU A 1 311 ? -12.808 7.912 -63.270 1.00 60.36 ? 334 GLU A OE1 1 ATOM 2126 O OE2 . GLU A 1 311 ? -14.605 8.656 -64.245 1.00 59.78 ? 334 GLU A OE2 1 ATOM 2127 N N . GLY A 1 312 ? -19.052 5.400 -64.047 1.00 50.01 ? 335 GLY A N 1 ATOM 2128 C CA . GLY A 1 312 ? -20.315 5.017 -64.661 1.00 50.83 ? 335 GLY A CA 1 ATOM 2129 C C . GLY A 1 312 ? -21.425 6.024 -64.423 1.00 50.95 ? 335 GLY A C 1 ATOM 2130 O O . GLY A 1 312 ? -22.239 6.281 -65.316 1.00 53.06 ? 335 GLY A O 1 ATOM 2131 N N . LEU A 1 313 ? -21.496 6.586 -63.210 1.00 48.82 ? 336 LEU A N 1 ATOM 2132 C CA . LEU A 1 313 ? -22.472 7.641 -62.956 1.00 49.16 ? 336 LEU A CA 1 ATOM 2133 C C . LEU A 1 313 ? -22.161 8.874 -63.795 1.00 52.05 ? 336 LEU A C 1 ATOM 2134 O O . LEU A 1 313 ? -23.063 9.471 -64.399 1.00 53.96 ? 336 LEU A O 1 ATOM 2135 C CB . LEU A 1 313 ? -22.516 8.003 -61.466 1.00 46.46 ? 336 LEU A CB 1 ATOM 2136 C CG . LEU A 1 313 ? -22.964 6.960 -60.430 1.00 44.35 ? 336 LEU A CG 1 ATOM 2137 C CD1 . LEU A 1 313 ? -23.036 7.552 -59.010 1.00 41.40 ? 336 LEU A CD1 1 ATOM 2138 C CD2 . LEU A 1 313 ? -24.294 6.349 -60.819 1.00 43.91 ? 336 LEU A CD2 1 ATOM 2139 N N . LYS A 1 314 ? -20.887 9.267 -63.850 1.00 52.60 ? 337 LYS A N 1 ATOM 2140 C CA . LYS A 1 314 ? -20.518 10.423 -64.657 1.00 55.55 ? 337 LYS A CA 1 ATOM 2141 C C . LYS A 1 314 ? -20.935 10.229 -66.107 1.00 58.56 ? 337 LYS A C 1 ATOM 2142 O O . LYS A 1 314 ? -21.581 11.095 -66.699 1.00 60.84 ? 337 LYS A O 1 ATOM 2143 C CB . LYS A 1 314 ? -19.015 10.704 -64.572 1.00 55.86 ? 337 LYS A CB 1 ATOM 2144 C CG . LYS A 1 314 ? -18.634 11.979 -65.361 1.00 59.10 ? 337 LYS A CG 1 ATOM 2145 C CD . LYS A 1 314 ? -17.159 12.322 -65.341 1.00 59.79 ? 337 LYS A CD 1 ATOM 2146 C CE . LYS A 1 314 ? -16.877 13.625 -66.140 1.00 63.50 ? 337 LYS A CE 1 ATOM 2147 N NZ . LYS A 1 314 ? -17.261 14.875 -65.406 1.00 65.86 ? 337 LYS A NZ 1 ATOM 2148 N N . GLN A 1 315 ? -20.569 9.080 -66.678 1.00 58.73 ? 338 GLN A N 1 ATOM 2149 C CA . GLN A 1 315 ? -20.940 8.709 -68.038 1.00 61.53 ? 338 GLN A CA 1 ATOM 2150 C C . GLN A 1 315 ? -22.410 8.947 -68.312 1.00 62.37 ? 338 GLN A C 1 ATOM 2151 O O . GLN A 1 315 ? -22.778 9.443 -69.385 1.00 65.50 ? 338 GLN A O 1 ATOM 2152 C CB . GLN A 1 315 ? -20.604 7.237 -68.254 1.00 60.72 ? 338 GLN A CB 1 ATOM 2153 C CG . GLN A 1 315 ? -21.318 6.587 -69.428 1.00 62.94 ? 338 GLN A CG 1 ATOM 2154 C CD . GLN A 1 315 ? -20.675 5.278 -69.791 1.00 62.85 ? 338 GLN A CD 1 ATOM 2155 O OE1 . GLN A 1 315 ? -19.496 5.058 -69.504 1.00 63.88 ? 338 GLN A OE1 1 ATOM 2156 N NE2 . GLN A 1 315 ? -21.444 4.384 -70.401 1.00 63.63 ? 338 GLN A NE2 1 ATOM 2157 N N . ARG A 1 316 ? -23.262 8.570 -67.362 1.00 59.77 ? 339 ARG A N 1 ATOM 2158 C CA . ARG A 1 316 ? -24.700 8.744 -67.454 1.00 60.30 ? 339 ARG A CA 1 ATOM 2159 C C . ARG A 1 316 ? -25.152 10.106 -66.973 1.00 60.67 ? 339 ARG A C 1 ATOM 2160 O O . ARG A 1 316 ? -26.359 10.336 -66.847 1.00 60.89 ? 339 ARG A O 1 ATOM 2161 C CB . ARG A 1 316 ? -25.412 7.650 -66.657 1.00 57.51 ? 339 ARG A CB 1 ATOM 2162 C CG . ARG A 1 316 ? -25.153 6.257 -67.172 1.00 57.42 ? 339 ARG A CG 1 ATOM 2163 C CD . ARG A 1 316 ? -25.380 5.202 -66.095 1.00 54.16 ? 339 ARG A CD 1 ATOM 2164 N NE . ARG A 1 316 ? -25.441 3.872 -66.688 1.00 54.55 ? 339 ARG A NE 1 ATOM 2165 C CZ . ARG A 1 316 ? -24.379 3.184 -67.088 1.00 54.88 ? 339 ARG A CZ 1 ATOM 2166 N NH1 . ARG A 1 316 ? -23.160 3.691 -66.941 1.00 54.82 ? 339 ARG A NH1 1 ATOM 2167 N NH2 . ARG A 1 316 ? -24.527 1.986 -67.624 1.00 55.42 ? 339 ARG A NH2 1 ATOM 2168 N N . ASN A 1 317 ? -24.216 11.005 -66.688 1.00 60.86 ? 340 ASN A N 1 ATOM 2169 C CA . ASN A 1 317 ? -24.559 12.346 -66.236 1.00 61.45 ? 340 ASN A CA 1 ATOM 2170 C C . ASN A 1 317 ? -25.343 12.298 -64.929 1.00 58.58 ? 340 ASN A C 1 ATOM 2171 O O . ASN A 1 317 ? -26.252 13.097 -64.711 1.00 59.31 ? 340 ASN A O 1 ATOM 2172 C CB . ASN A 1 317 ? -25.353 13.093 -67.314 1.00 66.30 ? 340 ASN A CB 1 ATOM 2173 C CG . ASN A 1 317 ? -24.916 14.521 -67.483 1.00 70.34 ? 340 ASN A CG 1 ATOM 2174 O OD1 . ASN A 1 317 ? -23.862 14.801 -67.982 1.00 71.65 ? 340 ASN A OD1 1 ATOM 2175 N ND2 . ASN A 1 317 ? -25.734 15.437 -67.084 1.00 75.92 ? 340 ASN A ND2 1 ATOM 2176 N N . LEU A 1 318 ? -25.025 11.346 -64.080 1.00 57.56 ? 341 LEU A N 1 ATOM 2177 C CA . LEU A 1 318 ? -25.743 11.203 -62.829 1.00 54.22 ? 341 LEU A CA 1 ATOM 2178 C C . LEU A 1 318 ? -24.916 11.542 -61.589 1.00 56.53 ? 341 LEU A C 1 ATOM 2179 O O . LEU A 1 318 ? -25.447 11.706 -60.498 1.00 55.34 ? 341 LEU A O 1 ATOM 2180 C CB . LEU A 1 318 ? -26.265 9.781 -62.741 1.00 51.14 ? 341 LEU A CB 1 ATOM 2181 C CG . LEU A 1 318 ? -27.372 9.354 -63.693 1.00 54.35 ? 341 LEU A CG 1 ATOM 2182 C CD1 . LEU A 1 318 ? -27.394 7.858 -63.875 1.00 51.63 ? 341 LEU A CD1 1 ATOM 2183 C CD2 . LEU A 1 318 ? -28.701 9.855 -63.210 1.00 53.29 ? 341 LEU A CD2 1 ATOM 2184 N N . HIS A 1 319 ? -23.613 11.655 -61.771 1.00 55.82 ? 342 HIS A N 1 ATOM 2185 C CA . HIS A 1 319 ? -22.727 11.961 -60.668 1.00 54.91 ? 342 HIS A CA 1 ATOM 2186 C C . HIS A 1 319 ? -23.192 13.032 -59.746 1.00 50.80 ? 342 HIS A C 1 ATOM 2187 O O . HIS A 1 319 ? -22.850 13.005 -58.603 1.00 50.71 ? 342 HIS A O 1 ATOM 2188 C CB . HIS A 1 319 ? -21.270 12.114 -61.098 1.00 60.70 ? 342 HIS A CB 1 ATOM 2189 C CG . HIS A 1 319 ? -21.042 13.130 -62.160 1.00 66.55 ? 342 HIS A CG 1 ATOM 2190 N ND1 . HIS A 1 319 ? -21.126 14.482 -61.925 1.00 72.97 ? 342 HIS A ND1 1 ATOM 2191 C CD2 . HIS A 1 319 ? -20.724 12.995 -63.462 1.00 70.32 ? 342 HIS A CD2 1 ATOM 2192 C CE1 . HIS A 1 319 ? -20.856 15.138 -63.035 1.00 72.04 ? 342 HIS A CE1 1 ATOM 2193 N NE2 . HIS A 1 319 ? -20.605 14.260 -63.981 1.00 72.01 ? 342 HIS A NE2 1 ATOM 2194 N N . ASN A 1 320 ? -23.999 13.955 -60.219 1.00 52.24 ? 343 ASN A N 1 ATOM 2195 C CA . ASN A 1 320 ? -24.523 14.982 -59.365 1.00 53.55 ? 343 ASN A CA 1 ATOM 2196 C C . ASN A 1 320 ? -26.010 14.808 -59.211 1.00 54.41 ? 343 ASN A C 1 ATOM 2197 O O . ASN A 1 320 ? -26.701 15.662 -58.730 1.00 58.04 ? 343 ASN A O 1 ATOM 2198 C CB . ASN A 1 320 ? -24.128 16.382 -59.792 1.00 64.89 ? 343 ASN A CB 1 ATOM 2199 C CG . ASN A 1 320 ? -22.634 16.626 -59.691 1.00 72.29 ? 343 ASN A CG 1 ATOM 2200 O OD1 . ASN A 1 320 ? -21.852 15.918 -60.279 1.00 77.73 ? 343 ASN A OD1 1 ATOM 2201 N ND2 . ASN A 1 320 ? -22.246 17.647 -58.961 1.00 72.23 ? 343 ASN A ND2 1 ATOM 2202 N N . CYS A 1 321 ? -26.470 13.648 -59.632 1.00 52.83 ? 344 CYS A N 1 ATOM 2203 C CA . CYS A 1 321 ? -27.853 13.200 -59.480 1.00 52.21 ? 344 CYS A CA 1 ATOM 2204 C C . CYS A 1 321 ? -28.022 12.206 -58.330 1.00 45.97 ? 344 CYS A C 1 ATOM 2205 O O . CYS A 1 321 ? -28.849 12.405 -57.435 1.00 44.94 ? 344 CYS A O 1 ATOM 2206 C CB . CYS A 1 321 ? -28.316 12.562 -60.797 1.00 54.50 ? 344 CYS A CB 1 ATOM 2207 S SG . CYS A 1 321 ? -29.985 11.960 -60.760 1.00 58.67 ? 344 CYS A SG 1 ATOM 2208 N N . VAL A 1 322 ? -27.281 11.111 -58.367 1.00 44.50 ? 345 VAL A N 1 ATOM 2209 C CA . VAL A 1 322 ? -27.410 10.054 -57.368 1.00 49.88 ? 345 VAL A CA 1 ATOM 2210 C C . VAL A 1 322 ? -26.880 10.544 -56.028 1.00 39.70 ? 345 VAL A C 1 ATOM 2211 O O . VAL A 1 322 ? -25.805 11.145 -55.965 1.00 39.94 ? 345 VAL A O 1 ATOM 2212 C CB . VAL A 1 322 ? -26.656 8.790 -57.814 1.00 49.79 ? 345 VAL A CB 1 ATOM 2213 C CG1 . VAL A 1 322 ? -26.607 7.765 -56.689 1.00 38.06 ? 345 VAL A CG1 1 ATOM 2214 C CG2 . VAL A 1 322 ? -27.312 8.196 -59.058 1.00 44.04 ? 345 VAL A CG2 1 ATOM 2215 N N . ASN A 1 323 ? -27.643 10.309 -54.960 1.00 37.96 ? 346 ASN A N 1 ATOM 2216 C CA . ASN A 1 323 ? -27.088 10.348 -53.611 1.00 35.72 ? 346 ASN A CA 1 ATOM 2217 C C . ASN A 1 323 ? -26.470 8.997 -53.297 1.00 34.32 ? 346 ASN A C 1 ATOM 2218 O O . ASN A 1 323 ? -27.110 7.950 -53.452 1.00 33.23 ? 346 ASN A O 1 ATOM 2219 C CB . ASN A 1 323 ? -28.152 10.695 -52.573 1.00 34.91 ? 346 ASN A CB 1 ATOM 2220 C CG . ASN A 1 323 ? -28.587 12.131 -52.665 1.00 42.79 ? 346 ASN A CG 1 ATOM 2221 O OD1 . ASN A 1 323 ? -27.769 13.028 -52.927 1.00 42.93 ? 346 ASN A OD1 1 ATOM 2222 N ND2 . ASN A 1 323 ? -29.880 12.369 -52.454 1.00 37.83 ? 346 ASN A ND2 1 ATOM 2223 N N . LEU A 1 324 ? -25.223 9.016 -52.856 1.00 33.55 ? 347 LEU A N 1 ATOM 2224 C CA . LEU A 1 324 ? -24.494 7.794 -52.578 1.00 31.97 ? 347 LEU A CA 1 ATOM 2225 C C . LEU A 1 324 ? -24.038 7.804 -51.130 1.00 29.18 ? 347 LEU A C 1 ATOM 2226 O O . LEU A 1 324 ? -23.471 8.796 -50.659 1.00 29.32 ? 347 LEU A O 1 ATOM 2227 C CB . LEU A 1 324 ? -23.306 7.657 -53.512 1.00 32.37 ? 347 LEU A CB 1 ATOM 2228 C CG . LEU A 1 324 ? -22.334 6.575 -53.085 1.00 31.76 ? 347 LEU A CG 1 ATOM 2229 C CD1 . LEU A 1 324 ? -22.953 5.234 -53.327 1.00 30.31 ? 347 LEU A CD1 1 ATOM 2230 C CD2 . LEU A 1 324 ? -21.038 6.715 -53.840 1.00 32.14 ? 347 LEU A CD2 1 ATOM 2231 N N . ILE A 1 325 ? -24.320 6.723 -50.424 1.00 34.70 ? 348 ILE A N 1 ATOM 2232 C CA . ILE A 1 325 ? -23.759 6.481 -49.101 1.00 31.79 ? 348 ILE A CA 1 ATOM 2233 C C . ILE A 1 325 ? -22.816 5.292 -49.213 1.00 27.78 ? 348 ILE A C 1 ATOM 2234 O O . ILE A 1 325 ? -23.208 4.202 -49.646 1.00 24.73 ? 348 ILE A O 1 ATOM 2235 C CB . ILE A 1 325 ? -24.842 6.223 -48.045 1.00 24.25 ? 348 ILE A CB 1 ATOM 2236 C CG1 . ILE A 1 325 ? -25.790 7.420 -47.937 1.00 25.19 ? 348 ILE A CG1 1 ATOM 2237 C CG2 . ILE A 1 325 ? -24.150 5.881 -46.693 1.00 22.43 ? 348 ILE A CG2 1 ATOM 2238 C CD1 . ILE A 1 325 ? -26.992 7.177 -46.953 1.00 25.25 ? 348 ILE A CD1 1 ATOM 2239 N N . LEU A 1 326 ? -21.571 5.512 -48.858 1.00 24.55 ? 349 LEU A N 1 ATOM 2240 C CA . LEU A 1 326 ? -20.581 4.457 -48.798 1.00 27.86 ? 349 LEU A CA 1 ATOM 2241 C C . LEU A 1 326 ? -20.231 4.238 -47.326 1.00 23.51 ? 349 LEU A C 1 ATOM 2242 O O . LEU A 1 326 ? -19.834 5.181 -46.633 1.00 23.12 ? 349 LEU A O 1 ATOM 2243 C CB . LEU A 1 326 ? -19.350 4.844 -49.625 1.00 25.33 ? 349 LEU A CB 1 ATOM 2244 C CG . LEU A 1 326 ? -18.139 3.932 -49.468 1.00 29.10 ? 349 LEU A CG 1 ATOM 2245 C CD1 . LEU A 1 326 ? -18.569 2.584 -49.961 1.00 27.80 ? 349 LEU A CD1 1 ATOM 2246 C CD2 . LEU A 1 326 ? -16.877 4.485 -50.202 1.00 32.15 ? 349 LEU A CD2 1 ATOM 2247 N N . LEU A 1 327 ? -20.396 3.013 -46.834 1.00 21.03 ? 350 LEU A N 1 ATOM 2248 C CA . LEU A 1 327 ? -20.109 2.743 -45.427 1.00 19.53 ? 350 LEU A CA 1 ATOM 2249 C C . LEU A 1 327 ? -19.681 1.288 -45.260 1.00 25.81 ? 350 LEU A C 1 ATOM 2250 O O . LEU A 1 327 ? -19.513 0.552 -46.233 1.00 19.69 ? 350 LEU A O 1 ATOM 2251 C CB . LEU A 1 327 ? -21.308 3.076 -44.529 1.00 20.00 ? 350 LEU A CB 1 ATOM 2252 C CG . LEU A 1 327 ? -22.718 2.557 -44.941 1.00 23.14 ? 350 LEU A CG 1 ATOM 2253 C CD1 . LEU A 1 327 ? -22.770 1.058 -44.960 1.00 18.29 ? 350 LEU A CD1 1 ATOM 2254 C CD2 . LEU A 1 327 ? -23.806 3.077 -43.997 1.00 18.23 ? 350 LEU A CD2 1 ATOM 2255 N N . ALA A 1 328 ? -19.545 0.873 -44.000 1.00 23.77 ? 351 ALA A N 1 ATOM 2256 C CA . ALA A 1 328 ? -19.153 -0.484 -43.644 1.00 17.16 ? 351 ALA A CA 1 ATOM 2257 C C . ALA A 1 328 ? -19.962 -0.946 -42.445 1.00 17.18 ? 351 ALA A C 1 ATOM 2258 O O . ALA A 1 328 ? -20.533 -0.144 -41.703 1.00 18.09 ? 351 ALA A O 1 ATOM 2259 C CB . ALA A 1 328 ? -17.657 -0.598 -43.322 1.00 17.27 ? 351 ALA A CB 1 ATOM 2260 N N . ASP A 1 329 ? -19.990 -2.257 -42.261 1.00 15.68 ? 352 ASP A N 1 ATOM 2261 C CA . ASP A 1 329 ? -20.766 -2.850 -41.180 1.00 24.15 ? 352 ASP A CA 1 ATOM 2262 C C . ASP A 1 329 ? -20.012 -2.876 -39.842 1.00 17.82 ? 352 ASP A C 1 ATOM 2263 O O . ASP A 1 329 ? -20.645 -2.799 -38.784 1.00 15.43 ? 352 ASP A O 1 ATOM 2264 C CB . ASP A 1 329 ? -21.218 -4.253 -41.603 1.00 15.03 ? 352 ASP A CB 1 ATOM 2265 C CG . ASP A 1 329 ? -20.062 -5.165 -42.015 1.00 21.69 ? 352 ASP A CG 1 ATOM 2266 O OD1 . ASP A 1 329 ? -18.934 -4.692 -42.361 1.00 22.38 ? 352 ASP A OD1 1 ATOM 2267 O OD2 . ASP A 1 329 ? -20.305 -6.386 -41.972 1.00 21.35 ? 352 ASP A OD2 1 ATOM 2268 N N . HIS A 1 330 ? -18.685 -2.884 -39.859 1.00 18.07 ? 353 HIS A N 1 ATOM 2269 C CA . HIS A 1 330 ? -17.855 -2.984 -38.657 1.00 21.83 ? 353 HIS A CA 1 ATOM 2270 C C . HIS A 1 330 ? -16.425 -2.852 -39.140 1.00 23.79 ? 353 HIS A C 1 ATOM 2271 O O . HIS A 1 330 ? -16.175 -2.849 -40.345 1.00 18.46 ? 353 HIS A O 1 ATOM 2272 C CB . HIS A 1 330 ? -18.006 -4.335 -37.936 1.00 16.09 ? 353 HIS A CB 1 ATOM 2273 C CG . HIS A 1 330 ? -17.806 -5.487 -38.873 1.00 18.95 ? 353 HIS A CG 1 ATOM 2274 N ND1 . HIS A 1 330 ? -16.561 -5.864 -39.342 1.00 18.32 ? 353 HIS A ND1 1 ATOM 2275 C CD2 . HIS A 1 330 ? -18.707 -6.261 -39.527 1.00 17.34 ? 353 HIS A CD2 1 ATOM 2276 C CE1 . HIS A 1 330 ? -16.707 -6.843 -40.220 1.00 16.62 ? 353 HIS A CE1 1 ATOM 2277 N NE2 . HIS A 1 330 ? -17.999 -7.103 -40.341 1.00 23.45 ? 353 HIS A NE2 1 ATOM 2278 N N . GLY A 1 331 ? -15.493 -2.836 -38.191 1.00 20.53 ? 354 GLY A N 1 ATOM 2279 C CA . GLY A 1 331 ? -14.075 -2.805 -38.463 1.00 21.34 ? 354 GLY A CA 1 ATOM 2280 C C . GLY A 1 331 ? -13.423 -4.178 -38.407 1.00 17.35 ? 354 GLY A C 1 ATOM 2281 O O . GLY A 1 331 ? -14.057 -5.201 -38.691 1.00 20.82 ? 354 GLY A O 1 ATOM 2282 N N . MET A 1 332 ? -12.148 -4.198 -38.019 1.00 16.51 ? 355 MET A N 1 ATOM 2283 C CA . MET A 1 332 ? -11.297 -5.385 -38.090 1.00 17.37 ? 355 MET A CA 1 ATOM 2284 C C . MET A 1 332 ? -10.154 -5.202 -37.093 1.00 17.74 ? 355 MET A C 1 ATOM 2285 O O . MET A 1 332 ? -9.638 -4.092 -36.930 1.00 17.97 ? 355 MET A O 1 ATOM 2286 C CB . MET A 1 332 ? -10.766 -5.604 -39.523 1.00 18.56 ? 355 MET A CB 1 ATOM 2287 C CG . MET A 1 332 ? -10.064 -6.970 -39.763 1.00 19.65 ? 355 MET A CG 1 ATOM 2288 S SD . MET A 1 332 ? -10.993 -8.506 -39.462 1.00 24.69 ? 355 MET A SD 1 ATOM 2289 C CE . MET A 1 332 ? -12.206 -8.519 -40.891 1.00 19.31 ? 355 MET A CE 1 ATOM 2290 N N . GLU A 1 333 ? -9.766 -6.288 -36.420 1.00 18.74 ? 356 GLU A N 1 ATOM 2291 C CA . GLU A 1 333 ? -8.808 -6.223 -35.324 1.00 18.75 ? 356 GLU A CA 1 ATOM 2292 C C . GLU A 1 333 ? -7.872 -7.420 -35.425 1.00 23.19 ? 356 GLU A C 1 ATOM 2293 O O . GLU A 1 333 ? -8.264 -8.450 -35.978 1.00 20.36 ? 356 GLU A O 1 ATOM 2294 C CB . GLU A 1 333 ? -9.556 -6.210 -33.971 1.00 17.77 ? 356 GLU A CB 1 ATOM 2295 C CG . GLU A 1 333 ? -8.651 -6.298 -32.758 1.00 22.46 ? 356 GLU A CG 1 ATOM 2296 C CD . GLU A 1 333 ? -7.728 -5.101 -32.694 1.00 26.64 ? 356 GLU A CD 1 ATOM 2297 O OE1 . GLU A 1 333 ? -8.086 -4.131 -32.004 1.00 24.78 ? 356 GLU A OE1 1 ATOM 2298 O OE2 . GLU A 1 333 ? -6.676 -5.108 -33.382 1.00 27.77 ? 356 GLU A OE2 1 ATOM 2299 N N . ALA A 1 334 ? -6.643 -7.296 -34.884 1.00 20.83 ? 357 ALA A N 1 ATOM 2300 C CA . ALA A 1 334 ? -5.663 -8.374 -35.013 1.00 24.85 ? 357 ALA A CA 1 ATOM 2301 C C . ALA A 1 334 ? -5.874 -9.430 -33.940 1.00 23.52 ? 357 ALA A C 1 ATOM 2302 O O . ALA A 1 334 ? -6.065 -9.104 -32.766 1.00 21.90 ? 357 ALA A O 1 ATOM 2303 C CB . ALA A 1 334 ? -4.213 -7.857 -34.912 1.00 31.89 ? 357 ALA A CB 1 ATOM 2304 N N . ILE A 1 335 ? -5.795 -10.708 -34.342 1.00 23.69 ? 358 ILE A N 1 ATOM 2305 C CA . ILE A 1 335 ? -5.900 -11.813 -33.401 1.00 25.02 ? 358 ILE A CA 1 ATOM 2306 C C . ILE A 1 335 ? -4.645 -12.665 -33.450 1.00 30.79 ? 358 ILE A C 1 ATOM 2307 O O . ILE A 1 335 ? -3.875 -12.650 -34.418 1.00 27.32 ? 358 ILE A O 1 ATOM 2308 C CB . ILE A 1 335 ? -7.137 -12.690 -33.667 1.00 27.94 ? 358 ILE A CB 1 ATOM 2309 C CG1 . ILE A 1 335 ? -7.149 -13.186 -35.120 1.00 24.27 ? 358 ILE A CG1 1 ATOM 2310 C CG2 . ILE A 1 335 ? -8.387 -11.920 -33.271 1.00 21.74 ? 358 ILE A CG2 1 ATOM 2311 C CD1 . ILE A 1 335 ? -8.350 -14.043 -35.475 1.00 23.88 ? 358 ILE A CD1 1 ATOM 2312 N N . SER A 1 336 ? -4.469 -13.462 -32.405 1.00 26.99 ? 359 SER A N 1 ATOM 2313 C CA . SER A 1 336 ? -3.349 -14.391 -32.446 1.00 35.58 ? 359 SER A CA 1 ATOM 2314 C C . SER A 1 336 ? -3.713 -15.665 -31.707 1.00 33.05 ? 359 SER A C 1 ATOM 2315 O O . SER A 1 336 ? -4.455 -15.630 -30.725 1.00 29.03 ? 359 SER A O 1 ATOM 2316 C CB . SER A 1 336 ? -2.071 -13.779 -31.858 1.00 30.23 ? 359 SER A CB 1 ATOM 2317 O OG . SER A 1 336 ? -1.137 -14.798 -31.565 1.00 39.97 ? 359 SER A OG 1 ATOM 2318 N N . CYS A 1 337 ? -3.191 -16.793 -32.197 1.00 34.22 ? 360 CYS A N 1 ATOM 2319 C CA . CYS A 1 337 ? -3.267 -18.026 -31.425 1.00 42.94 ? 360 CYS A CA 1 ATOM 2320 C C . CYS A 1 337 ? -2.542 -17.905 -30.089 1.00 40.71 ? 360 CYS A C 1 ATOM 2321 O O . CYS A 1 337 ? -2.779 -18.721 -29.194 1.00 35.50 ? 360 CYS A O 1 ATOM 2322 C CB . CYS A 1 337 ? -2.720 -19.190 -32.258 1.00 44.53 ? 360 CYS A CB 1 ATOM 2323 S SG . CYS A 1 337 ? -3.676 -19.489 -33.802 1.00 51.09 ? 360 CYS A SG 1 ATOM 2324 N N . ASN A 1 338 ? -1.700 -16.886 -29.927 1.00 33.72 ? 361 ASN A N 1 ATOM 2325 C CA . ASN A 1 338 ? -1.088 -16.563 -28.648 1.00 34.37 ? 361 ASN A CA 1 ATOM 2326 C C . ASN A 1 338 ? -1.983 -15.734 -27.742 1.00 35.97 ? 361 ASN A C 1 ATOM 2327 O O . ASN A 1 338 ? -1.561 -15.414 -26.622 1.00 35.48 ? 361 ASN A O 1 ATOM 2328 C CB . ASN A 1 338 ? 0.189 -15.771 -28.857 1.00 35.28 ? 361 ASN A CB 1 ATOM 2329 C CG . ASN A 1 338 ? 1.311 -16.610 -29.332 1.00 46.27 ? 361 ASN A CG 1 ATOM 2330 O OD1 . ASN A 1 338 ? 1.406 -17.787 -29.000 1.00 53.27 ? 361 ASN A OD1 1 ATOM 2331 N ND2 . ASN A 1 338 ? 2.183 -16.014 -30.128 1.00 49.55 ? 361 ASN A ND2 1 ATOM 2332 N N . ARG A 1 339 ? -3.160 -15.320 -28.210 1.00 32.49 ? 362 ARG A N 1 ATOM 2333 C CA . ARG A 1 339 ? -4.031 -14.450 -27.417 1.00 28.58 ? 362 ARG A CA 1 ATOM 2334 C C . ARG A 1 339 ? -5.408 -15.076 -27.274 1.00 32.13 ? 362 ARG A C 1 ATOM 2335 O O . ARG A 1 339 ? -6.420 -14.515 -27.732 1.00 28.42 ? 362 ARG A O 1 ATOM 2336 C CB . ARG A 1 339 ? -4.140 -13.060 -28.038 1.00 27.04 ? 362 ARG A CB 1 ATOM 2337 C CG . ARG A 1 339 ? -2.830 -12.244 -28.017 1.00 31.38 ? 362 ARG A CG 1 ATOM 2338 C CD . ARG A 1 339 ? -3.066 -10.773 -28.433 1.00 30.76 ? 362 ARG A CD 1 ATOM 2339 N NE . ARG A 1 339 ? -3.646 -10.604 -29.759 1.00 27.34 ? 362 ARG A NE 1 ATOM 2340 C CZ . ARG A 1 339 ? -2.904 -10.312 -30.821 1.00 29.82 ? 362 ARG A CZ 1 ATOM 2341 N NH1 . ARG A 1 339 ? -1.583 -10.194 -30.674 1.00 35.03 ? 362 ARG A NH1 1 ATOM 2342 N NH2 . ARG A 1 339 ? -3.441 -10.151 -32.029 1.00 26.12 ? 362 ARG A NH2 1 ATOM 2343 N N . LEU A 1 340 ? -5.448 -16.243 -26.638 1.00 28.98 ? 363 LEU A N 1 ATOM 2344 C CA . LEU A 1 340 ? -6.666 -17.019 -26.462 1.00 31.64 ? 363 LEU A CA 1 ATOM 2345 C C . LEU A 1 340 ? -6.923 -17.265 -24.984 1.00 33.28 ? 363 LEU A C 1 ATOM 2346 O O . LEU A 1 340 ? -6.007 -17.645 -24.251 1.00 30.85 ? 363 LEU A O 1 ATOM 2347 C CB . LEU A 1 340 ? -6.586 -18.361 -27.211 1.00 29.99 ? 363 LEU A CB 1 ATOM 2348 C CG . LEU A 1 340 ? -6.216 -18.243 -28.682 1.00 33.37 ? 363 LEU A CG 1 ATOM 2349 C CD1 . LEU A 1 340 ? -6.009 -19.638 -29.331 1.00 31.76 ? 363 LEU A CD1 1 ATOM 2350 C CD2 . LEU A 1 340 ? -7.268 -17.434 -29.412 1.00 27.73 ? 363 LEU A CD2 1 ATOM 2351 N N . GLU A 1 341 ? -8.166 -17.040 -24.556 1.00 35.59 ? 364 GLU A N 1 ATOM 2352 C CA . GLU A 1 341 ? -8.637 -17.460 -23.244 1.00 31.97 ? 364 GLU A CA 1 ATOM 2353 C C . GLU A 1 341 ? -9.437 -18.730 -23.453 1.00 29.10 ? 364 GLU A C 1 ATOM 2354 O O . GLU A 1 341 ? -10.256 -18.787 -24.371 1.00 28.61 ? 364 GLU A O 1 ATOM 2355 C CB . GLU A 1 341 ? -9.502 -16.381 -22.582 1.00 28.90 ? 364 GLU A CB 1 ATOM 2356 C CG . GLU A 1 341 ? -8.719 -15.170 -22.073 1.00 26.47 ? 364 GLU A CG 1 ATOM 2357 C CD . GLU A 1 341 ? -8.161 -15.394 -20.668 1.00 35.79 ? 364 GLU A CD 1 ATOM 2358 O OE1 . GLU A 1 341 ? -7.467 -14.499 -20.136 1.00 31.92 ? 364 GLU A OE1 1 ATOM 2359 O OE2 . GLU A 1 341 ? -8.421 -16.472 -20.092 1.00 31.09 ? 364 GLU A OE2 1 ATOM 2360 N N . TYR A 1 342 ? -9.186 -19.744 -22.626 1.00 31.07 ? 365 TYR A N 1 ATOM 2361 C CA . TYR A 1 342 ? -9.792 -21.065 -22.766 1.00 33.52 ? 365 TYR A CA 1 ATOM 2362 C C . TYR A 1 342 ? -10.744 -21.339 -21.615 1.00 33.98 ? 365 TYR A C 1 ATOM 2363 O O . TYR A 1 342 ? -10.358 -21.222 -20.451 1.00 35.57 ? 365 TYR A O 1 ATOM 2364 C CB . TYR A 1 342 ? -8.731 -22.168 -22.783 1.00 35.81 ? 365 TYR A CB 1 ATOM 2365 C CG . TYR A 1 342 ? -7.642 -21.968 -23.789 1.00 35.61 ? 365 TYR A CG 1 ATOM 2366 C CD1 . TYR A 1 342 ? -7.885 -22.185 -25.138 1.00 34.48 ? 365 TYR A CD1 1 ATOM 2367 C CD2 . TYR A 1 342 ? -6.370 -21.548 -23.400 1.00 39.63 ? 365 TYR A CD2 1 ATOM 2368 C CE1 . TYR A 1 342 ? -6.898 -22.008 -26.076 1.00 34.89 ? 365 TYR A CE1 1 ATOM 2369 C CE2 . TYR A 1 342 ? -5.363 -21.369 -24.338 1.00 39.56 ? 365 TYR A CE2 1 ATOM 2370 C CZ . TYR A 1 342 ? -5.644 -21.602 -25.679 1.00 37.60 ? 365 TYR A CZ 1 ATOM 2371 O OH . TYR A 1 342 ? -4.690 -21.431 -26.644 1.00 38.92 ? 365 TYR A OH 1 ATOM 2372 N N . MET A 1 343 ? -11.968 -21.750 -21.940 1.00 32.12 ? 366 MET A N 1 ATOM 2373 C CA . MET A 1 343 ? -12.902 -22.153 -20.898 1.00 32.69 ? 366 MET A CA 1 ATOM 2374 C C . MET A 1 343 ? -12.340 -23.304 -20.058 1.00 39.33 ? 366 MET A C 1 ATOM 2375 O O . MET A 1 343 ? -12.638 -23.398 -18.860 1.00 36.32 ? 366 MET A O 1 ATOM 2376 C CB . MET A 1 343 ? -14.233 -22.532 -21.544 1.00 31.89 ? 366 MET A CB 1 ATOM 2377 C CG . MET A 1 343 ? -15.040 -21.365 -22.099 1.00 32.66 ? 366 MET A CG 1 ATOM 2378 S SD . MET A 1 343 ? -15.108 -19.907 -21.002 1.00 34.27 ? 366 MET A SD 1 ATOM 2379 C CE . MET A 1 343 ? -13.660 -18.938 -21.400 1.00 33.66 ? 366 MET A CE 1 ATOM 2380 N N . THR A 1 344 ? -11.502 -24.166 -20.661 1.00 36.76 ? 367 THR A N 1 ATOM 2381 C CA . THR A 1 344 ? -10.913 -25.283 -19.910 1.00 39.66 ? 367 THR A CA 1 ATOM 2382 C C . THR A 1 344 ? -10.085 -24.796 -18.728 1.00 40.54 ? 367 THR A C 1 ATOM 2383 O O . THR A 1 344 ? -9.863 -25.555 -17.783 1.00 45.66 ? 367 THR A O 1 ATOM 2384 C CB . THR A 1 344 ? -10.033 -26.176 -20.812 1.00 41.30 ? 367 THR A CB 1 ATOM 2385 O OG1 . THR A 1 344 ? -9.058 -25.389 -21.501 1.00 40.39 ? 367 THR A OG1 1 ATOM 2386 C CG2 . THR A 1 344 ? -10.856 -26.920 -21.824 1.00 41.15 ? 367 THR A CG2 1 ATOM 2387 N N . ASP A 1 345 ? -9.591 -23.558 -18.767 1.00 38.95 ? 368 ASP A N 1 ATOM 2388 C CA . ASP A 1 345 ? -8.845 -23.039 -17.624 1.00 41.76 ? 368 ASP A CA 1 ATOM 2389 C C . ASP A 1 345 ? -9.740 -22.612 -16.472 1.00 40.16 ? 368 ASP A C 1 ATOM 2390 O O . ASP A 1 345 ? -9.227 -22.331 -15.384 1.00 40.53 ? 368 ASP A O 1 ATOM 2391 C CB . ASP A 1 345 ? -7.974 -21.860 -18.062 1.00 30.00 ? 368 ASP A CB 1 ATOM 2392 C CG . ASP A 1 345 ? -6.816 -22.287 -18.942 1.00 30.00 ? 368 ASP A CG 1 ATOM 2393 O OD1 . ASP A 1 345 ? -6.515 -23.498 -18.986 1.00 30.00 ? 368 ASP A OD1 1 ATOM 2394 O OD2 . ASP A 1 345 ? -6.149 -21.482 -19.627 1.00 30.00 ? 368 ASP A OD2 1 ATOM 2395 N N . TYR A 1 346 ? -11.053 -22.557 -16.679 1.00 37.97 ? 369 TYR A N 1 ATOM 2396 C CA . TYR A 1 346 ? -11.978 -22.074 -15.670 1.00 37.89 ? 369 TYR A CA 1 ATOM 2397 C C . TYR A 1 346 ? -12.925 -23.140 -15.179 1.00 41.90 ? 369 TYR A C 1 ATOM 2398 O O . TYR A 1 346 ? -13.476 -22.998 -14.082 1.00 40.28 ? 369 TYR A O 1 ATOM 2399 C CB . TYR A 1 346 ? -12.791 -20.894 -16.232 1.00 34.61 ? 369 TYR A CB 1 ATOM 2400 C CG . TYR A 1 346 ? -11.870 -19.782 -16.653 1.00 34.98 ? 369 TYR A CG 1 ATOM 2401 C CD1 . TYR A 1 346 ? -11.339 -19.736 -17.932 1.00 32.56 ? 369 TYR A CD1 1 ATOM 2402 C CD2 . TYR A 1 346 ? -11.468 -18.819 -15.746 1.00 36.55 ? 369 TYR A CD2 1 ATOM 2403 C CE1 . TYR A 1 346 ? -10.446 -18.756 -18.302 1.00 31.70 ? 369 TYR A CE1 1 ATOM 2404 C CE2 . TYR A 1 346 ? -10.596 -17.817 -16.117 1.00 43.24 ? 369 TYR A CE2 1 ATOM 2405 C CZ . TYR A 1 346 ? -10.079 -17.787 -17.396 1.00 38.30 ? 369 TYR A CZ 1 ATOM 2406 O OH . TYR A 1 346 ? -9.193 -16.782 -17.732 1.00 33.80 ? 369 TYR A OH 1 ATOM 2407 N N . PHE A 1 347 ? -13.130 -24.187 -15.966 1.00 39.62 ? 370 PHE A N 1 ATOM 2408 C CA . PHE A 1 347 ? -14.064 -25.243 -15.640 1.00 41.05 ? 370 PHE A CA 1 ATOM 2409 C C . PHE A 1 347 ? -13.312 -26.560 -15.695 1.00 46.62 ? 370 PHE A C 1 ATOM 2410 O O . PHE A 1 347 ? -12.652 -26.856 -16.694 1.00 46.89 ? 370 PHE A O 1 ATOM 2411 C CB . PHE A 1 347 ? -15.241 -25.272 -16.619 1.00 39.35 ? 370 PHE A CB 1 ATOM 2412 C CG . PHE A 1 347 ? -16.098 -24.029 -16.598 1.00 36.85 ? 370 PHE A CG 1 ATOM 2413 C CD1 . PHE A 1 347 ? -15.820 -22.963 -17.439 1.00 34.55 ? 370 PHE A CD1 1 ATOM 2414 C CD2 . PHE A 1 347 ? -17.194 -23.942 -15.758 1.00 36.99 ? 370 PHE A CD2 1 ATOM 2415 C CE1 . PHE A 1 347 ? -16.616 -21.823 -17.439 1.00 36.09 ? 370 PHE A CE1 1 ATOM 2416 C CE2 . PHE A 1 347 ? -17.999 -22.800 -15.752 1.00 35.08 ? 370 PHE A CE2 1 ATOM 2417 C CZ . PHE A 1 347 ? -17.706 -21.744 -16.594 1.00 34.45 ? 370 PHE A CZ 1 ATOM 2418 N N . ASN A 1 348 ? -13.389 -27.334 -14.623 1.00 46.32 ? 371 ASN A N 1 ATOM 2419 C CA . ASN A 1 348 ? -12.922 -28.708 -14.721 1.00 52.38 ? 371 ASN A CA 1 ATOM 2420 C C . ASN A 1 348 ? -13.806 -29.492 -15.681 1.00 60.32 ? 371 ASN A C 1 ATOM 2421 O O . ASN A 1 348 ? -13.320 -30.310 -16.467 1.00 59.28 ? 371 ASN A O 1 ATOM 2422 C CB . ASN A 1 348 ? -12.894 -29.352 -13.340 1.00 58.39 ? 371 ASN A CB 1 ATOM 2423 C CG . ASN A 1 348 ? -11.781 -28.801 -12.462 1.00 65.40 ? 371 ASN A CG 1 ATOM 2424 O OD1 . ASN A 1 348 ? -10.596 -29.014 -12.728 1.00 75.67 ? 371 ASN A OD1 1 ATOM 2425 N ND2 . ASN A 1 348 ? -12.159 -28.109 -11.397 1.00 68.79 ? 371 ASN A ND2 1 ATOM 2426 N N . THR A 1 349 ? -15.101 -29.207 -15.668 1.00 54.83 ? 372 THR A N 1 ATOM 2427 C CA . THR A 1 349 ? -16.079 -29.841 -16.534 1.00 57.45 ? 372 THR A CA 1 ATOM 2428 C C . THR A 1 349 ? -16.741 -28.761 -17.383 1.00 53.34 ? 372 THR A C 1 ATOM 2429 O O . THR A 1 349 ? -17.144 -27.720 -16.857 1.00 59.12 ? 372 THR A O 1 ATOM 2430 C CB . THR A 1 349 ? -17.111 -30.602 -15.685 1.00 59.68 ? 372 THR A CB 1 ATOM 2431 O OG1 . THR A 1 349 ? -16.438 -31.536 -14.822 1.00 62.53 ? 372 THR A OG1 1 ATOM 2432 C CG2 . THR A 1 349 ? -18.082 -31.332 -16.554 1.00 60.28 ? 372 THR A CG2 1 ATOM 2433 N N . VAL A 1 350 ? -16.823 -28.985 -18.700 1.00 51.04 ? 373 VAL A N 1 ATOM 2434 C CA . VAL A 1 350 ? -17.394 -27.992 -19.619 1.00 55.02 ? 373 VAL A CA 1 ATOM 2435 C C . VAL A 1 350 ? -18.706 -28.499 -20.226 1.00 57.85 ? 373 VAL A C 1 ATOM 2436 O O . VAL A 1 350 ? -18.790 -28.802 -21.423 1.00 65.65 ? 373 VAL A O 1 ATOM 2437 C CB . VAL A 1 350 ? -16.360 -27.561 -20.697 1.00 51.11 ? 373 VAL A CB 1 ATOM 2438 C CG1 . VAL A 1 350 ? -15.072 -27.140 -20.025 1.00 49.19 ? 373 VAL A CG1 1 ATOM 2439 C CG2 . VAL A 1 350 ? -16.027 -28.666 -21.714 1.00 53.62 ? 373 VAL A CG2 1 ATOM 2440 N N . ASP A 1 351 ? -19.753 -28.575 -19.411 1.00 55.78 ? 374 ASP A N 1 ATOM 2441 C CA . ASP A 1 351 ? -21.025 -29.124 -19.886 1.00 54.11 ? 374 ASP A CA 1 ATOM 2442 C C . ASP A 1 351 ? -21.903 -28.035 -20.503 1.00 47.75 ? 374 ASP A C 1 ATOM 2443 O O . ASP A 1 351 ? -23.059 -27.852 -20.105 1.00 51.90 ? 374 ASP A O 1 ATOM 2444 C CB . ASP A 1 351 ? -21.749 -29.835 -18.746 1.00 56.08 ? 374 ASP A CB 1 ATOM 2445 C CG . ASP A 1 351 ? -22.867 -30.767 -19.234 1.00 58.00 ? 374 ASP A CG 1 ATOM 2446 O OD1 . ASP A 1 351 ? -23.217 -30.747 -20.437 1.00 53.76 ? 374 ASP A OD1 1 ATOM 2447 O OD2 . ASP A 1 351 ? -23.391 -31.540 -18.395 1.00 61.50 ? 374 ASP A OD2 1 ATOM 2448 N N . PHE A 1 352 ? -21.388 -27.280 -21.472 1.00 38.69 ? 375 PHE A N 1 ATOM 2449 C CA . PHE A 1 352 ? -22.225 -26.236 -22.046 1.00 37.31 ? 375 PHE A CA 1 ATOM 2450 C C . PHE A 1 352 ? -21.828 -25.943 -23.482 1.00 36.42 ? 375 PHE A C 1 ATOM 2451 O O . PHE A 1 352 ? -20.771 -26.348 -23.959 1.00 43.89 ? 375 PHE A O 1 ATOM 2452 C CB . PHE A 1 352 ? -22.202 -24.940 -21.214 1.00 33.05 ? 375 PHE A CB 1 ATOM 2453 C CG . PHE A 1 352 ? -20.829 -24.345 -20.991 1.00 33.51 ? 375 PHE A CG 1 ATOM 2454 C CD1 . PHE A 1 352 ? -20.170 -23.662 -22.002 1.00 31.09 ? 375 PHE A CD1 1 ATOM 2455 C CD2 . PHE A 1 352 ? -20.215 -24.441 -19.744 1.00 36.82 ? 375 PHE A CD2 1 ATOM 2456 C CE1 . PHE A 1 352 ? -18.921 -23.081 -21.788 1.00 31.76 ? 375 PHE A CE1 1 ATOM 2457 C CE2 . PHE A 1 352 ? -18.956 -23.870 -19.512 1.00 36.37 ? 375 PHE A CE2 1 ATOM 2458 C CZ . PHE A 1 352 ? -18.315 -23.176 -20.537 1.00 36.62 ? 375 PHE A CZ 1 ATOM 2459 N N . PHE A 1 353 ? -22.715 -25.241 -24.172 1.00 34.72 ? 376 PHE A N 1 ATOM 2460 C CA . PHE A 1 353 ? -22.466 -24.799 -25.529 1.00 35.40 ? 376 PHE A CA 1 ATOM 2461 C C . PHE A 1 353 ? -21.956 -23.368 -25.508 1.00 30.69 ? 376 PHE A C 1 ATOM 2462 O O . PHE A 1 353 ? -22.507 -22.515 -24.809 1.00 29.26 ? 376 PHE A O 1 ATOM 2463 C CB . PHE A 1 353 ? -23.742 -24.890 -26.369 1.00 35.09 ? 376 PHE A CB 1 ATOM 2464 C CG . PHE A 1 353 ? -23.557 -24.437 -27.792 1.00 37.79 ? 376 PHE A CG 1 ATOM 2465 C CD1 . PHE A 1 353 ? -23.620 -23.092 -28.114 1.00 32.76 ? 376 PHE A CD1 1 ATOM 2466 C CD2 . PHE A 1 353 ? -23.288 -25.359 -28.806 1.00 37.54 ? 376 PHE A CD2 1 ATOM 2467 C CE1 . PHE A 1 353 ? -23.441 -22.658 -29.394 1.00 31.57 ? 376 PHE A CE1 1 ATOM 2468 C CE2 . PHE A 1 353 ? -23.110 -24.913 -30.107 1.00 34.09 ? 376 PHE A CE2 1 ATOM 2469 C CZ . PHE A 1 353 ? -23.180 -23.571 -30.396 1.00 29.58 ? 376 PHE A CZ 1 ATOM 2470 N N . MET A 1 354 ? -20.913 -23.105 -26.291 1.00 30.02 ? 377 MET A N 1 ATOM 2471 C CA . MET A 1 354 ? -20.305 -21.785 -26.336 1.00 31.91 ? 377 MET A CA 1 ATOM 2472 C C . MET A 1 354 ? -20.289 -21.268 -27.766 1.00 30.68 ? 377 MET A C 1 ATOM 2473 O O . MET A 1 354 ? -19.764 -21.940 -28.661 1.00 24.93 ? 377 MET A O 1 ATOM 2474 C CB . MET A 1 354 ? -18.884 -21.812 -25.774 1.00 34.62 ? 377 MET A CB 1 ATOM 2475 C CG . MET A 1 354 ? -18.233 -20.428 -25.666 1.00 33.13 ? 377 MET A CG 1 ATOM 2476 S SD . MET A 1 354 ? -16.526 -20.587 -25.071 1.00 29.74 ? 377 MET A SD 1 ATOM 2477 C CE . MET A 1 354 ? -16.076 -18.869 -24.972 1.00 23.87 ? 377 MET A CE 1 ATOM 2478 N N . TYR A 1 355 ? -20.880 -20.084 -27.978 1.00 22.34 ? 378 TYR A N 1 ATOM 2479 C CA . TYR A 1 355 ? -20.558 -19.259 -29.144 1.00 25.22 ? 378 TYR A CA 1 ATOM 2480 C C . TYR A 1 355 ? -19.212 -18.595 -28.882 1.00 24.18 ? 378 TYR A C 1 ATOM 2481 O O . TYR A 1 355 ? -19.120 -17.725 -28.014 1.00 25.70 ? 378 TYR A O 1 ATOM 2482 C CB . TYR A 1 355 ? -21.659 -18.215 -29.410 1.00 19.73 ? 378 TYR A CB 1 ATOM 2483 C CG . TYR A 1 355 ? -23.064 -18.811 -29.503 1.00 28.98 ? 378 TYR A CG 1 ATOM 2484 C CD1 . TYR A 1 355 ? -23.826 -19.039 -28.366 1.00 23.06 ? 378 TYR A CD1 1 ATOM 2485 C CD2 . TYR A 1 355 ? -23.620 -19.155 -30.743 1.00 34.86 ? 378 TYR A CD2 1 ATOM 2486 C CE1 . TYR A 1 355 ? -25.078 -19.597 -28.438 1.00 26.02 ? 378 TYR A CE1 1 ATOM 2487 C CE2 . TYR A 1 355 ? -24.891 -19.725 -30.814 1.00 37.26 ? 378 TYR A CE2 1 ATOM 2488 C CZ . TYR A 1 355 ? -25.602 -19.947 -29.655 1.00 27.81 ? 378 TYR A CZ 1 ATOM 2489 O OH . TYR A 1 355 ? -26.836 -20.502 -29.775 1.00 23.88 ? 378 TYR A OH 1 ATOM 2490 N N . GLU A 1 356 ? -18.157 -19.035 -29.575 1.00 24.96 ? 379 GLU A N 1 ATOM 2491 C CA . GLU A 1 356 ? -16.788 -18.654 -29.247 1.00 25.28 ? 379 GLU A CA 1 ATOM 2492 C C . GLU A 1 356 ? -16.375 -17.386 -29.984 1.00 28.56 ? 379 GLU A C 1 ATOM 2493 O O . GLU A 1 356 ? -17.036 -16.939 -30.922 1.00 28.42 ? 379 GLU A O 1 ATOM 2494 C CB . GLU A 1 356 ? -15.820 -19.793 -29.595 1.00 24.69 ? 379 GLU A CB 1 ATOM 2495 C CG . GLU A 1 356 ? -16.177 -21.120 -29.000 1.00 25.88 ? 379 GLU A CG 1 ATOM 2496 C CD . GLU A 1 356 ? -15.239 -22.235 -29.494 1.00 37.99 ? 379 GLU A CD 1 ATOM 2497 O OE1 . GLU A 1 356 ? -14.396 -22.744 -28.737 1.00 29.75 ? 379 GLU A OE1 1 ATOM 2498 O OE2 . GLU A 1 356 ? -15.341 -22.559 -30.687 1.00 35.10 ? 379 GLU A OE2 1 ATOM 2499 N N . GLY A 1 357 ? -15.252 -16.814 -29.557 1.00 26.30 ? 380 GLY A N 1 ATOM 2500 C CA . GLY A 1 357 ? -14.600 -15.772 -30.330 1.00 22.54 ? 380 GLY A CA 1 ATOM 2501 C C . GLY A 1 357 ? -14.552 -14.409 -29.658 1.00 25.23 ? 380 GLY A C 1 ATOM 2502 O O . GLY A 1 357 ? -14.267 -14.283 -28.457 1.00 19.00 ? 380 GLY A O 1 ATOM 2503 N N . ALA A 1 358 ? -14.878 -13.379 -30.439 1.00 19.48 ? 381 ALA A N 1 ATOM 2504 C CA . ALA A 1 358 ? -14.798 -12.002 -29.998 1.00 18.55 ? 381 ALA A CA 1 ATOM 2505 C C . ALA A 1 358 ? -16.035 -11.527 -29.240 1.00 22.76 ? 381 ALA A C 1 ATOM 2506 O O . ALA A 1 358 ? -15.955 -10.518 -28.536 1.00 19.96 ? 381 ALA A O 1 ATOM 2507 C CB . ALA A 1 358 ? -14.575 -11.096 -31.213 1.00 19.58 ? 381 ALA A CB 1 ATOM 2508 N N . ALA A 1 359 ? -17.189 -12.178 -29.397 1.00 21.78 ? 382 ALA A N 1 ATOM 2509 C CA . ALA A 1 359 ? -18.404 -11.787 -28.672 1.00 16.78 ? 382 ALA A CA 1 ATOM 2510 C C . ALA A 1 359 ? -19.096 -13.039 -28.134 1.00 16.80 ? 382 ALA A C 1 ATOM 2511 O O . ALA A 1 359 ? -20.209 -13.379 -28.541 1.00 24.67 ? 382 ALA A O 1 ATOM 2512 C CB . ALA A 1 359 ? -19.327 -10.967 -29.581 1.00 21.29 ? 382 ALA A CB 1 ATOM 2513 N N . PRO A 1 360 ? -18.461 -13.746 -27.199 1.00 19.56 ? 383 PRO A N 1 ATOM 2514 C CA . PRO A 1 360 ? -18.982 -15.047 -26.782 1.00 22.53 ? 383 PRO A CA 1 ATOM 2515 C C . PRO A 1 360 ? -20.296 -14.964 -26.036 1.00 20.84 ? 383 PRO A C 1 ATOM 2516 O O . PRO A 1 360 ? -20.611 -13.961 -25.390 1.00 22.96 ? 383 PRO A O 1 ATOM 2517 C CB . PRO A 1 360 ? -17.877 -15.587 -25.854 1.00 25.68 ? 383 PRO A CB 1 ATOM 2518 C CG . PRO A 1 360 ? -16.689 -14.804 -26.207 1.00 20.05 ? 383 PRO A CG 1 ATOM 2519 C CD . PRO A 1 360 ? -17.197 -13.457 -26.517 1.00 20.08 ? 383 PRO A CD 1 ATOM 2520 N N . ARG A 1 361 ? -21.056 -16.054 -26.133 1.00 18.69 ? 384 ARG A N 1 ATOM 2521 C CA . ARG A 1 361 ? -22.185 -16.352 -25.263 1.00 21.74 ? 384 ARG A CA 1 ATOM 2522 C C . ARG A 1 361 ? -22.104 -17.821 -24.874 1.00 26.06 ? 384 ARG A C 1 ATOM 2523 O O . ARG A 1 361 ? -21.497 -18.641 -25.571 1.00 25.60 ? 384 ARG A O 1 ATOM 2524 C CB . ARG A 1 361 ? -23.566 -16.059 -25.921 1.00 18.43 ? 384 ARG A CB 1 ATOM 2525 C CG . ARG A 1 361 ? -23.768 -14.593 -26.327 1.00 22.00 ? 384 ARG A CG 1 ATOM 2526 C CD . ARG A 1 361 ? -25.252 -14.299 -26.828 1.00 26.06 ? 384 ARG A CD 1 ATOM 2527 N NE . ARG A 1 361 ? -25.700 -15.276 -27.820 1.00 20.87 ? 384 ARG A NE 1 ATOM 2528 C CZ . ARG A 1 361 ? -25.194 -15.345 -29.050 1.00 23.15 ? 384 ARG A CZ 1 ATOM 2529 N NH1 . ARG A 1 361 ? -24.260 -14.476 -29.439 1.00 24.83 ? 384 ARG A NH1 1 ATOM 2530 N NH2 . ARG A 1 361 ? -25.637 -16.254 -29.902 1.00 23.05 ? 384 ARG A NH2 1 ATOM 2531 N N . ILE A 1 362 ? -22.756 -18.159 -23.769 1.00 22.07 ? 385 ILE A N 1 ATOM 2532 C CA . ILE A 1 362 ? -22.775 -19.516 -23.265 1.00 25.82 ? 385 ILE A CA 1 ATOM 2533 C C . ILE A 1 362 ? -24.214 -19.895 -22.928 1.00 28.72 ? 385 ILE A C 1 ATOM 2534 O O . ILE A 1 362 ? -24.963 -19.091 -22.360 1.00 23.84 ? 385 ILE A O 1 ATOM 2535 C CB . ILE A 1 362 ? -21.843 -19.657 -22.043 1.00 25.28 ? 385 ILE A CB 1 ATOM 2536 C CG1 . ILE A 1 362 ? -20.365 -19.497 -22.463 1.00 27.31 ? 385 ILE A CG1 1 ATOM 2537 C CG2 . ILE A 1 362 ? -22.072 -20.984 -21.345 1.00 26.33 ? 385 ILE A CG2 1 ATOM 2538 C CD1 . ILE A 1 362 ? -19.357 -19.602 -21.288 1.00 27.85 ? 385 ILE A CD1 1 ATOM 2539 N N . ARG A 1 363 ? -24.607 -21.113 -23.286 1.00 25.02 ? 386 ARG A N 1 ATOM 2540 C CA . ARG A 1 363 ? -25.965 -21.581 -23.051 1.00 27.66 ? 386 ARG A CA 1 ATOM 2541 C C . ARG A 1 363 ? -25.944 -23.081 -22.770 1.00 30.07 ? 386 ARG A C 1 ATOM 2542 O O . ARG A 1 363 ? -24.934 -23.759 -22.973 1.00 35.43 ? 386 ARG A O 1 ATOM 2543 C CB . ARG A 1 363 ? -26.876 -21.274 -24.247 1.00 24.78 ? 386 ARG A CB 1 ATOM 2544 C CG . ARG A 1 363 ? -26.571 -22.106 -25.508 1.00 25.63 ? 386 ARG A CG 1 ATOM 2545 C CD . ARG A 1 363 ? -27.732 -22.058 -26.544 1.00 29.67 ? 386 ARG A CD 1 ATOM 2546 N NE . ARG A 1 363 ? -27.320 -22.501 -27.884 1.00 29.26 ? 386 ARG A NE 1 ATOM 2547 C CZ . ARG A 1 363 ? -27.113 -23.784 -28.220 1.00 32.73 ? 386 ARG A CZ 1 ATOM 2548 N NH1 . ARG A 1 363 ? -27.255 -24.752 -27.320 1.00 30.37 ? 386 ARG A NH1 1 ATOM 2549 N NH2 . ARG A 1 363 ? -26.750 -24.107 -29.457 1.00 34.99 ? 386 ARG A NH2 1 ATOM 2550 N N . SER A 1 364 ? -27.075 -23.603 -22.298 1.00 29.07 ? 387 SER A N 1 ATOM 2551 C CA . SER A 1 364 ? -27.199 -25.045 -22.122 1.00 36.00 ? 387 SER A CA 1 ATOM 2552 C C . SER A 1 364 ? -26.917 -25.786 -23.430 1.00 36.80 ? 387 SER A C 1 ATOM 2553 O O . SER A 1 364 ? -27.246 -25.316 -24.523 1.00 30.53 ? 387 SER A O 1 ATOM 2554 C CB . SER A 1 364 ? -28.593 -25.412 -21.604 1.00 35.80 ? 387 SER A CB 1 ATOM 2555 O OG . SER A 1 364 ? -28.726 -26.829 -21.500 1.00 38.99 ? 387 SER A OG 1 ATOM 2556 N N . LYS A 1 365 ? -26.257 -26.934 -23.311 1.00 35.26 ? 388 LYS A N 1 ATOM 2557 C CA . LYS A 1 365 ? -26.098 -27.830 -24.444 1.00 42.26 ? 388 LYS A CA 1 ATOM 2558 C C . LYS A 1 365 ? -27.367 -28.620 -24.722 1.00 43.31 ? 388 LYS A C 1 ATOM 2559 O O . LYS A 1 365 ? -27.580 -29.047 -25.863 1.00 44.42 ? 388 LYS A O 1 ATOM 2560 C CB . LYS A 1 365 ? -24.928 -28.799 -24.203 1.00 51.41 ? 388 LYS A CB 1 ATOM 2561 C CG . LYS A 1 365 ? -23.700 -28.494 -25.045 1.00 54.29 ? 388 LYS A CG 1 ATOM 2562 C CD . LYS A 1 365 ? -22.636 -29.601 -25.009 1.00 61.05 ? 388 LYS A CD 1 ATOM 2563 C CE . LYS A 1 365 ? -21.825 -29.613 -26.318 1.00 61.78 ? 388 LYS A CE 1 ATOM 2564 N NZ . LYS A 1 365 ? -21.203 -28.271 -26.645 1.00 59.28 ? 388 LYS A NZ 1 ATOM 2565 N N . ASN A 1 366 ? -28.217 -28.802 -23.713 1.00 39.05 ? 389 ASN A N 1 ATOM 2566 C CA . ASN A 1 366 ? -29.459 -29.556 -23.854 1.00 38.03 ? 389 ASN A CA 1 ATOM 2567 C C . ASN A 1 366 ? -30.622 -28.574 -24.009 1.00 36.48 ? 389 ASN A C 1 ATOM 2568 O O . ASN A 1 366 ? -31.264 -28.180 -23.034 1.00 38.80 ? 389 ASN A O 1 ATOM 2569 C CB . ASN A 1 366 ? -29.648 -30.489 -22.660 1.00 40.53 ? 389 ASN A CB 1 ATOM 2570 C CG . ASN A 1 366 ? -30.880 -31.353 -22.792 1.00 51.77 ? 389 ASN A CG 1 ATOM 2571 O OD1 . ASN A 1 366 ? -31.363 -31.915 -21.809 1.00 54.37 ? 389 ASN A OD1 1 ATOM 2572 N ND2 . ASN A 1 366 ? -31.411 -31.457 -24.010 1.00 51.72 ? 389 ASN A ND2 1 ATOM 2573 N N . VAL A 1 367 ? -30.921 -28.200 -25.235 1.00 43.04 ? 390 VAL A N 1 ATOM 2574 C CA . VAL A 1 367 ? -32.012 -27.279 -25.520 1.00 38.08 ? 390 VAL A CA 1 ATOM 2575 C C . VAL A 1 367 ? -33.027 -27.939 -26.440 1.00 42.85 ? 390 VAL A C 1 ATOM 2576 O O . VAL A 1 367 ? -32.652 -28.719 -27.244 1.00 35.64 ? 390 VAL A O 1 ATOM 2577 C CB . VAL A 1 367 ? -31.527 -25.928 -26.116 1.00 35.56 ? 390 VAL A CB 1 ATOM 2578 C CG1 . VAL A 1 367 ? -30.581 -25.227 -25.185 1.00 30.37 ? 390 VAL A CG1 1 ATOM 2579 C CG2 . VAL A 1 367 ? -30.933 -26.066 -27.488 1.00 36.06 ? 390 VAL A CG2 1 ATOM 2580 N N . PRO A 1 368 ? -34.298 -27.572 -26.294 1.00 47.39 ? 391 PRO A N 1 ATOM 2581 C CA . PRO A 1 368 ? -34.701 -26.545 -25.321 1.00 39.21 ? 391 PRO A CA 1 ATOM 2582 C C . PRO A 1 368 ? -35.084 -26.996 -23.907 1.00 37.42 ? 391 PRO A C 1 ATOM 2583 O O . PRO A 1 368 ? -35.473 -26.138 -23.114 1.00 35.26 ? 391 PRO A O 1 ATOM 2584 C CB . PRO A 1 368 ? -35.911 -25.891 -25.997 1.00 37.16 ? 391 PRO A CB 1 ATOM 2585 C CG . PRO A 1 368 ? -36.480 -26.966 -26.858 1.00 40.40 ? 391 PRO A CG 1 ATOM 2586 C CD . PRO A 1 368 ? -35.303 -27.757 -27.355 1.00 40.57 ? 391 PRO A CD 1 ATOM 2587 N N . LYS A 1 369 ? -34.977 -28.283 -23.603 1.00 44.88 ? 392 LYS A N 1 ATOM 2588 C CA . LYS A 1 369 ? -35.334 -28.790 -22.279 1.00 41.32 ? 392 LYS A CA 1 ATOM 2589 C C . LYS A 1 369 ? -34.748 -27.976 -21.120 1.00 38.91 ? 392 LYS A C 1 ATOM 2590 O O . LYS A 1 369 ? -35.482 -27.493 -20.257 1.00 39.31 ? 392 LYS A O 1 ATOM 2591 C CB . LYS A 1 369 ? -34.922 -30.258 -22.143 1.00 53.64 ? 392 LYS A CB 1 ATOM 2592 C CG . LYS A 1 369 ? -35.177 -30.850 -20.766 1.00 66.86 ? 392 LYS A CG 1 ATOM 2593 C CD . LYS A 1 369 ? -35.181 -32.369 -20.809 1.00 66.87 ? 392 LYS A CD 1 ATOM 2594 C CE . LYS A 1 369 ? -33.910 -32.942 -20.206 1.00 65.14 ? 392 LYS A CE 1 ATOM 2595 N NZ . LYS A 1 369 ? -33.809 -32.655 -18.748 1.00 63.26 ? 392 LYS A NZ 1 ATOM 2596 N N . ASP A 1 370 ? -33.427 -27.836 -21.107 1.00 38.00 ? 393 ASP A N 1 ATOM 2597 C CA . ASP A 1 370 ? -32.736 -27.122 -20.072 1.00 42.66 ? 393 ASP A CA 1 ATOM 2598 C C . ASP A 1 370 ? -32.317 -25.668 -20.409 1.00 36.25 ? 393 ASP A C 1 ATOM 2599 O O . ASP A 1 370 ? -31.417 -25.159 -19.816 1.00 34.08 ? 393 ASP A O 1 ATOM 2600 C CB . ASP A 1 370 ? -31.502 -27.912 -19.648 1.00 45.88 ? 393 ASP A CB 1 ATOM 2601 C CG . ASP A 1 370 ? -31.827 -29.313 -19.209 1.00 55.92 ? 393 ASP A CG 1 ATOM 2602 O OD1 . ASP A 1 370 ? -32.909 -29.540 -18.691 1.00 60.51 ? 393 ASP A OD1 1 ATOM 2603 O OD2 . ASP A 1 370 ? -30.983 -30.197 -19.363 1.00 62.59 ? 393 ASP A OD2 1 ATOM 2604 N N . PHE A 1 371 ? -32.971 -25.036 -21.360 1.00 33.34 ? 394 PHE A N 1 ATOM 2605 C CA . PHE A 1 371 ? -32.608 -23.670 -21.717 1.00 30.96 ? 394 PHE A CA 1 ATOM 2606 C C . PHE A 1 371 ? -32.744 -22.716 -20.535 1.00 35.25 ? 394 PHE A C 1 ATOM 2607 O O . PHE A 1 371 ? -31.896 -21.838 -20.348 1.00 29.35 ? 394 PHE A O 1 ATOM 2608 C CB . PHE A 1 371 ? -33.454 -23.163 -22.884 1.00 30.26 ? 394 PHE A CB 1 ATOM 2609 C CG . PHE A 1 371 ? -33.049 -21.792 -23.337 1.00 32.16 ? 394 PHE A CG 1 ATOM 2610 C CD1 . PHE A 1 371 ? -31.928 -21.621 -24.135 1.00 28.34 ? 394 PHE A CD1 1 ATOM 2611 C CD2 . PHE A 1 371 ? -33.750 -20.668 -22.926 1.00 26.84 ? 394 PHE A CD2 1 ATOM 2612 C CE1 . PHE A 1 371 ? -31.526 -20.363 -24.521 1.00 26.43 ? 394 PHE A CE1 1 ATOM 2613 C CE2 . PHE A 1 371 ? -33.336 -19.389 -23.337 1.00 24.94 ? 394 PHE A CE2 1 ATOM 2614 C CZ . PHE A 1 371 ? -32.236 -19.247 -24.129 1.00 23.86 ? 394 PHE A CZ 1 ATOM 2615 N N . TYR A 1 372 ? -33.817 -22.842 -19.746 1.00 31.85 ? 395 TYR A N 1 ATOM 2616 C CA . TYR A 1 372 ? -34.046 -21.854 -18.694 1.00 41.65 ? 395 TYR A CA 1 ATOM 2617 C C . TYR A 1 372 ? -33.463 -22.287 -17.367 1.00 38.38 ? 395 TYR A C 1 ATOM 2618 O O . TYR A 1 372 ? -32.980 -21.447 -16.602 1.00 37.50 ? 395 TYR A O 1 ATOM 2619 C CB . TYR A 1 372 ? -35.536 -21.594 -18.487 1.00 36.66 ? 395 TYR A CB 1 ATOM 2620 C CG . TYR A 1 372 ? -36.250 -21.043 -19.690 1.00 32.82 ? 395 TYR A CG 1 ATOM 2621 C CD1 . TYR A 1 372 ? -36.206 -19.706 -19.985 1.00 29.18 ? 395 TYR A CD1 1 ATOM 2622 C CD2 . TYR A 1 372 ? -36.995 -21.876 -20.518 1.00 38.21 ? 395 TYR A CD2 1 ATOM 2623 C CE1 . TYR A 1 372 ? -36.871 -19.198 -21.084 1.00 34.57 ? 395 TYR A CE1 1 ATOM 2624 C CE2 . TYR A 1 372 ? -37.659 -21.377 -21.619 1.00 34.37 ? 395 TYR A CE2 1 ATOM 2625 C CZ . TYR A 1 372 ? -37.608 -20.038 -21.888 1.00 31.07 ? 395 TYR A CZ 1 ATOM 2626 O OH . TYR A 1 372 ? -38.274 -19.540 -22.987 1.00 41.64 ? 395 TYR A OH 1 ATOM 2627 N N . THR A 1 373 ? -33.531 -23.587 -17.076 1.00 37.77 ? 396 THR A N 1 ATOM 2628 C CA . THR A 1 373 ? -32.989 -24.089 -15.824 1.00 36.85 ? 396 THR A CA 1 ATOM 2629 C C . THR A 1 373 ? -31.473 -23.960 -15.791 1.00 36.09 ? 396 THR A C 1 ATOM 2630 O O . THR A 1 373 ? -30.886 -23.858 -14.710 1.00 40.10 ? 396 THR A O 1 ATOM 2631 C CB . THR A 1 373 ? -33.397 -25.542 -15.629 1.00 39.44 ? 396 THR A CB 1 ATOM 2632 O OG1 . THR A 1 373 ? -32.871 -26.310 -16.713 1.00 39.29 ? 396 THR A OG1 1 ATOM 2633 C CG2 . THR A 1 373 ? -34.927 -25.671 -15.575 1.00 40.49 ? 396 THR A CG2 1 ATOM 2634 N N . PHE A 1 374 ? -30.829 -23.975 -16.953 1.00 34.71 ? 397 PHE A N 1 ATOM 2635 C CA . PHE A 1 374 ? -29.402 -23.706 -17.051 1.00 37.10 ? 397 PHE A CA 1 ATOM 2636 C C . PHE A 1 374 ? -29.010 -22.522 -16.174 1.00 39.10 ? 397 PHE A C 1 ATOM 2637 O O . PHE A 1 374 ? -29.649 -21.465 -16.213 1.00 32.45 ? 397 PHE A O 1 ATOM 2638 C CB . PHE A 1 374 ? -29.046 -23.423 -18.506 1.00 32.96 ? 397 PHE A CB 1 ATOM 2639 C CG . PHE A 1 374 ? -27.592 -23.202 -18.749 1.00 31.22 ? 397 PHE A CG 1 ATOM 2640 C CD1 . PHE A 1 374 ? -26.716 -24.268 -18.759 1.00 39.15 ? 397 PHE A CD1 1 ATOM 2641 C CD2 . PHE A 1 374 ? -27.111 -21.930 -19.000 1.00 35.59 ? 397 PHE A CD2 1 ATOM 2642 C CE1 . PHE A 1 374 ? -25.375 -24.070 -19.005 1.00 39.24 ? 397 PHE A CE1 1 ATOM 2643 C CE2 . PHE A 1 374 ? -25.763 -21.717 -19.246 1.00 38.40 ? 397 PHE A CE2 1 ATOM 2644 C CZ . PHE A 1 374 ? -24.896 -22.798 -19.255 1.00 35.92 ? 397 PHE A CZ 1 ATOM 2645 N N . ASP A 1 375 ? -27.963 -22.711 -15.370 1.00 33.82 ? 398 ASP A N 1 ATOM 2646 C CA . ASP A 1 375 ? -27.627 -21.750 -14.321 1.00 33.57 ? 398 ASP A CA 1 ATOM 2647 C C . ASP A 1 375 ? -26.594 -20.766 -14.867 1.00 32.56 ? 398 ASP A C 1 ATOM 2648 O O . ASP A 1 375 ? -25.386 -20.873 -14.630 1.00 32.94 ? 398 ASP A O 1 ATOM 2649 C CB . ASP A 1 375 ? -27.156 -22.482 -13.069 1.00 38.95 ? 398 ASP A CB 1 ATOM 2650 C CG . ASP A 1 375 ? -27.096 -21.582 -11.861 1.00 37.57 ? 398 ASP A CG 1 ATOM 2651 O OD1 . ASP A 1 375 ? -27.213 -20.345 -12.003 1.00 34.38 ? 398 ASP A OD1 1 ATOM 2652 O OD2 . ASP A 1 375 ? -26.880 -22.115 -10.771 1.00 38.34 ? 398 ASP A OD2 1 ATOM 2653 N N . SER A 1 376 ? -27.106 -19.791 -15.635 1.00 30.64 ? 399 SER A N 1 ATOM 2654 C CA . SER A 1 376 ? -26.274 -18.721 -16.174 1.00 27.63 ? 399 SER A CA 1 ATOM 2655 C C . SER A 1 376 ? -25.580 -17.927 -15.076 1.00 29.53 ? 399 SER A C 1 ATOM 2656 O O . SER A 1 376 ? -24.465 -17.447 -15.272 1.00 27.02 ? 399 SER A O 1 ATOM 2657 C CB . SER A 1 376 ? -27.097 -17.777 -17.039 1.00 25.85 ? 399 SER A CB 1 ATOM 2658 O OG . SER A 1 376 ? -27.702 -18.477 -18.109 1.00 34.15 ? 399 SER A OG 1 ATOM 2659 N N . GLU A 1 377 ? -26.235 -17.738 -13.932 1.00 28.85 ? 400 GLU A N 1 ATOM 2660 C CA . GLU A 1 377 ? -25.596 -16.966 -12.872 1.00 33.86 ? 400 GLU A CA 1 ATOM 2661 C C . GLU A 1 377 ? -24.392 -17.718 -12.316 1.00 33.87 ? 400 GLU A C 1 ATOM 2662 O O . GLU A 1 377 ? -23.354 -17.112 -12.044 1.00 30.66 ? 400 GLU A O 1 ATOM 2663 C CB . GLU A 1 377 ? -26.599 -16.619 -11.763 1.00 32.06 ? 400 GLU A CB 1 ATOM 2664 C CG . GLU A 1 377 ? -25.976 -15.720 -10.673 1.00 50.15 ? 400 GLU A CG 1 ATOM 2665 C CD . GLU A 1 377 ? -26.967 -15.331 -9.551 1.00 69.80 ? 400 GLU A CD 1 ATOM 2666 O OE1 . GLU A 1 377 ? -26.616 -14.502 -8.681 1.00 76.25 ? 400 GLU A OE1 1 ATOM 2667 O OE2 . GLU A 1 377 ? -28.099 -15.856 -9.549 1.00 74.10 ? 400 GLU A OE2 1 ATOM 2668 N N . ALA A 1 378 ? -24.509 -19.047 -12.160 1.00 33.45 ? 401 ALA A N 1 ATOM 2669 C CA . ALA A 1 378 ? -23.372 -19.849 -11.707 1.00 34.87 ? 401 ALA A CA 1 ATOM 2670 C C . ALA A 1 378 ? -22.224 -19.813 -12.717 1.00 34.23 ? 401 ALA A C 1 ATOM 2671 O O . ALA A 1 378 ? -21.056 -19.699 -12.329 1.00 33.39 ? 401 ALA A O 1 ATOM 2672 C CB . ALA A 1 378 ? -23.808 -21.295 -11.439 1.00 36.25 ? 401 ALA A CB 1 ATOM 2673 N N . ILE A 1 379 ? -22.535 -19.919 -14.012 1.00 31.45 ? 402 ILE A N 1 ATOM 2674 C CA . ILE A 1 379 ? -21.508 -19.802 -15.048 1.00 30.35 ? 402 ILE A CA 1 ATOM 2675 C C . ILE A 1 379 ? -20.765 -18.473 -14.912 1.00 34.85 ? 402 ILE A C 1 ATOM 2676 O O . ILE A 1 379 ? -19.531 -18.436 -14.892 1.00 30.33 ? 402 ILE A O 1 ATOM 2677 C CB . ILE A 1 379 ? -22.142 -19.943 -16.446 1.00 29.00 ? 402 ILE A CB 1 ATOM 2678 C CG1 . ILE A 1 379 ? -22.842 -21.302 -16.593 1.00 32.15 ? 402 ILE A CG1 1 ATOM 2679 C CG2 . ILE A 1 379 ? -21.120 -19.666 -17.563 1.00 27.81 ? 402 ILE A CG2 1 ATOM 2680 C CD1 . ILE A 1 379 ? -21.921 -22.479 -16.441 1.00 34.35 ? 402 ILE A CD1 1 ATOM 2681 N N . VAL A 1 380 ? -21.507 -17.359 -14.827 1.00 27.65 ? 403 VAL A N 1 ATOM 2682 C CA . VAL A 1 380 ? -20.867 -16.043 -14.748 1.00 26.43 ? 403 VAL A CA 1 ATOM 2683 C C . VAL A 1 380 ? -19.986 -15.955 -13.506 1.00 27.88 ? 403 VAL A C 1 ATOM 2684 O O . VAL A 1 380 ? -18.828 -15.530 -13.565 1.00 27.70 ? 403 VAL A O 1 ATOM 2685 C CB . VAL A 1 380 ? -21.930 -14.926 -14.784 1.00 25.18 ? 403 VAL A CB 1 ATOM 2686 C CG1 . VAL A 1 380 ? -21.289 -13.528 -14.536 1.00 24.16 ? 403 VAL A CG1 1 ATOM 2687 C CG2 . VAL A 1 380 ? -22.627 -14.941 -16.120 1.00 23.71 ? 403 VAL A CG2 1 ATOM 2688 N N . LYS A 1 381 ? -20.521 -16.402 -12.376 1.00 29.54 ? 404 LYS A N 1 ATOM 2689 C CA . LYS A 1 381 ? -19.773 -16.391 -11.122 1.00 31.13 ? 404 LYS A CA 1 ATOM 2690 C C . LYS A 1 381 ? -18.483 -17.217 -11.196 1.00 37.40 ? 404 LYS A C 1 ATOM 2691 O O . LYS A 1 381 ? -17.445 -16.799 -10.683 1.00 32.91 ? 404 LYS A O 1 ATOM 2692 C CB . LYS A 1 381 ? -20.650 -16.892 -9.972 1.00 34.77 ? 404 LYS A CB 1 ATOM 2693 C CG . LYS A 1 381 ? -19.887 -17.179 -8.690 1.00 39.55 ? 404 LYS A CG 1 ATOM 2694 C CD . LYS A 1 381 ? -20.835 -17.422 -7.526 1.00 56.72 ? 404 LYS A CD 1 ATOM 2695 C CE . LYS A 1 381 ? -20.216 -16.983 -6.209 1.00 60.73 ? 404 LYS A CE 1 ATOM 2696 N NZ . LYS A 1 381 ? -18.792 -17.403 -6.097 1.00 64.21 ? 404 LYS A NZ 1 ATOM 2697 N N . LYS A 1 382 ? -18.553 -18.385 -11.830 1.00 33.07 ? 405 LYS A N 1 ATOM 2698 C CA . LYS A 1 382 ? -17.391 -19.268 -11.958 1.00 36.15 ? 405 LYS A CA 1 ATOM 2699 C C . LYS A 1 382 ? -16.335 -18.681 -12.883 1.00 33.09 ? 405 LYS A C 1 ATOM 2700 O O . LYS A 1 382 ? -15.153 -19.026 -12.785 1.00 34.27 ? 405 LYS A O 1 ATOM 2701 C CB . LYS A 1 382 ? -17.832 -20.641 -12.475 1.00 37.16 ? 405 LYS A CB 1 ATOM 2702 C CG . LYS A 1 382 ? -16.714 -21.739 -12.565 1.00 45.27 ? 405 LYS A CG 1 ATOM 2703 C CD . LYS A 1 382 ? -16.091 -22.096 -11.201 1.00 40.93 ? 405 LYS A CD 1 ATOM 2704 C CE . LYS A 1 382 ? -15.737 -23.571 -11.051 1.00 50.03 ? 405 LYS A CE 1 ATOM 2705 N NZ . LYS A 1 382 ? -14.550 -23.720 -10.166 1.00 50.82 ? 405 LYS A NZ 1 ATOM 2706 N N . LEU A 1 383 ? -16.737 -17.799 -13.784 1.00 30.80 ? 406 LEU A N 1 ATOM 2707 C CA . LEU A 1 383 ? -15.810 -17.097 -14.654 1.00 29.49 ? 406 LEU A CA 1 ATOM 2708 C C . LEU A 1 383 ? -15.358 -15.753 -14.097 1.00 28.82 ? 406 LEU A C 1 ATOM 2709 O O . LEU A 1 383 ? -14.663 -15.017 -14.804 1.00 27.69 ? 406 LEU A O 1 ATOM 2710 C CB . LEU A 1 383 ? -16.457 -16.863 -16.034 1.00 33.68 ? 406 LEU A CB 1 ATOM 2711 C CG . LEU A 1 383 ? -16.535 -18.065 -16.974 1.00 30.66 ? 406 LEU A CG 1 ATOM 2712 C CD1 . LEU A 1 383 ? -17.369 -17.721 -18.209 1.00 26.12 ? 406 LEU A CD1 1 ATOM 2713 C CD2 . LEU A 1 383 ? -15.125 -18.534 -17.356 1.00 28.94 ? 406 LEU A CD2 1 ATOM 2714 N N . THR A 1 384 ? -15.749 -15.378 -12.886 1.00 29.56 ? 407 THR A N 1 ATOM 2715 C CA . THR A 1 384 ? -15.515 -14.013 -12.427 1.00 29.57 ? 407 THR A CA 1 ATOM 2716 C C . THR A 1 384 ? -14.303 -13.938 -11.505 1.00 30.50 ? 407 THR A C 1 ATOM 2717 O O . THR A 1 384 ? -14.215 -14.677 -10.520 1.00 32.52 ? 407 THR A O 1 ATOM 2718 C CB . THR A 1 384 ? -16.753 -13.459 -11.724 1.00 29.92 ? 407 THR A CB 1 ATOM 2719 O OG1 . THR A 1 384 ? -17.750 -13.185 -12.705 1.00 33.70 ? 407 THR A OG1 1 ATOM 2720 C CG2 . THR A 1 384 ? -16.423 -12.161 -11.004 1.00 31.79 ? 407 THR A CG2 1 ATOM 2721 N N . CYS A 1 385 ? -13.379 -13.029 -11.825 1.00 29.80 ? 408 CYS A N 1 ATOM 2722 C CA . CYS A 1 385 ? -12.246 -12.706 -10.960 1.00 33.36 ? 408 CYS A CA 1 ATOM 2723 C C . CYS A 1 385 ? -11.467 -13.963 -10.583 1.00 33.52 ? 408 CYS A C 1 ATOM 2724 O O . CYS A 1 385 ? -11.279 -14.276 -9.408 1.00 35.51 ? 408 CYS A O 1 ATOM 2725 C CB . CYS A 1 385 ? -12.708 -11.959 -9.697 1.00 38.28 ? 408 CYS A CB 1 ATOM 2726 S SG . CYS A 1 385 ? -13.668 -10.418 -10.071 1.00 35.23 ? 408 CYS A SG 1 ATOM 2727 N N . ARG A 1 386 ? -10.994 -14.673 -11.607 1.00 33.34 ? 409 ARG A N 1 ATOM 2728 C CA . ARG A 1 386 ? -10.343 -15.966 -11.416 1.00 43.35 ? 409 ARG A CA 1 ATOM 2729 C C . ARG A 1 386 ? -8.829 -15.907 -11.557 1.00 42.97 ? 409 ARG A C 1 ATOM 2730 O O . ARG A 1 386 ? -8.115 -16.568 -10.807 1.00 40.04 ? 409 ARG A O 1 ATOM 2731 C CB . ARG A 1 386 ? -10.929 -16.983 -12.402 1.00 35.04 ? 409 ARG A CB 1 ATOM 2732 C CG . ARG A 1 386 ? -12.360 -17.334 -12.065 1.00 34.78 ? 409 ARG A CG 1 ATOM 2733 C CD . ARG A 1 386 ? -12.459 -18.234 -10.837 1.00 37.36 ? 409 ARG A CD 1 ATOM 2734 N NE . ARG A 1 386 ? -11.665 -19.443 -10.985 1.00 41.24 ? 409 ARG A NE 1 ATOM 2735 C CZ . ARG A 1 386 ? -12.104 -20.547 -11.589 1.00 41.57 ? 409 ARG A CZ 1 ATOM 2736 N NH1 . ARG A 1 386 ? -13.330 -20.610 -12.117 1.00 38.35 ? 409 ARG A NH1 1 ATOM 2737 N NH2 . ARG A 1 386 ? -11.311 -21.618 -11.673 1.00 51.99 ? 409 ARG A NH2 1 ATOM 2738 N N . LYS A 1 387 ? -8.330 -15.118 -12.497 1.00 41.13 ? 410 LYS A N 1 ATOM 2739 C CA . LYS A 1 387 ? -6.916 -14.872 -12.696 1.00 46.05 ? 410 LYS A CA 1 ATOM 2740 C C . LYS A 1 387 ? -6.700 -13.370 -12.678 1.00 55.91 ? 410 LYS A C 1 ATOM 2741 O O . LYS A 1 387 ? -7.590 -12.619 -13.078 1.00 54.06 ? 410 LYS A O 1 ATOM 2742 C CB . LYS A 1 387 ? -6.437 -15.447 -14.036 1.00 42.82 ? 410 LYS A CB 1 ATOM 2743 C CG . LYS A 1 387 ? -6.793 -16.912 -14.215 1.00 49.70 ? 410 LYS A CG 1 ATOM 2744 C CD . LYS A 1 387 ? -6.694 -17.344 -15.669 1.00 55.51 ? 410 LYS A CD 1 ATOM 2745 C CE . LYS A 1 387 ? -5.244 -17.391 -16.151 1.00 59.30 ? 410 LYS A CE 1 ATOM 2746 N NZ . LYS A 1 387 ? -5.141 -18.100 -17.469 1.00 58.32 ? 410 LYS A NZ 1 ATOM 2747 N N . PRO A 1 388 ? -5.549 -12.899 -12.208 1.00 55.34 ? 411 PRO A N 1 ATOM 2748 C CA . PRO A 1 388 ? -5.380 -11.449 -12.042 1.00 58.59 ? 411 PRO A CA 1 ATOM 2749 C C . PRO A 1 388 ? -5.579 -10.648 -13.315 1.00 55.37 ? 411 PRO A C 1 ATOM 2750 O O . PRO A 1 388 ? -6.102 -9.529 -13.238 1.00 63.26 ? 411 PRO A O 1 ATOM 2751 C CB . PRO A 1 388 ? -3.946 -11.335 -11.510 1.00 61.31 ? 411 PRO A CB 1 ATOM 2752 C CG . PRO A 1 388 ? -3.751 -12.598 -10.765 1.00 63.60 ? 411 PRO A CG 1 ATOM 2753 C CD . PRO A 1 388 ? -4.458 -13.651 -11.570 1.00 63.70 ? 411 PRO A CD 1 ATOM 2754 N N . LYS A 1 389 ? -5.207 -11.174 -14.485 1.00 54.56 ? 412 LYS A N 1 ATOM 2755 C CA . LYS A 1 389 ? -5.361 -10.441 -15.744 1.00 53.88 ? 412 LYS A CA 1 ATOM 2756 C C . LYS A 1 389 ? -6.143 -11.275 -16.764 1.00 47.72 ? 412 LYS A C 1 ATOM 2757 O O . LYS A 1 389 ? -5.661 -11.584 -17.855 1.00 49.08 ? 412 LYS A O 1 ATOM 2758 C CB . LYS A 1 389 ? -4.008 -10.019 -16.320 1.00 56.58 ? 412 LYS A CB 1 ATOM 2759 C CG . LYS A 1 389 ? -3.045 -9.485 -15.275 1.00 65.05 ? 412 LYS A CG 1 ATOM 2760 C CD . LYS A 1 389 ? -1.662 -9.225 -15.853 1.00 65.17 ? 412 LYS A CD 1 ATOM 2761 C CE . LYS A 1 389 ? -0.938 -10.514 -16.196 1.00 63.70 ? 412 LYS A CE 1 ATOM 2762 N NZ . LYS A 1 389 ? 0.532 -10.274 -16.319 1.00 62.44 ? 412 LYS A NZ 1 ATOM 2763 N N . GLN A 1 390 ? -7.386 -11.609 -16.419 1.00 52.66 ? 413 GLN A N 1 ATOM 2764 C CA . GLN A 1 390 ? -8.284 -12.199 -17.407 1.00 43.83 ? 413 GLN A CA 1 ATOM 2765 C C . GLN A 1 390 ? -8.527 -11.237 -18.551 1.00 36.46 ? 413 GLN A C 1 ATOM 2766 O O . GLN A 1 390 ? -8.763 -10.044 -18.343 1.00 36.87 ? 413 GLN A O 1 ATOM 2767 C CB . GLN A 1 390 ? -9.628 -12.564 -16.794 1.00 35.82 ? 413 GLN A CB 1 ATOM 2768 C CG . GLN A 1 390 ? -9.513 -13.402 -15.583 1.00 39.55 ? 413 GLN A CG 1 ATOM 2769 C CD . GLN A 1 390 ? -10.832 -13.759 -15.042 1.00 30.03 ? 413 GLN A CD 1 ATOM 2770 O OE1 . GLN A 1 390 ? -10.921 -14.354 -13.983 1.00 39.39 ? 413 GLN A OE1 1 ATOM 2771 N NE2 . GLN A 1 390 ? -11.897 -13.385 -15.755 1.00 30.89 ? 413 GLN A NE2 1 ATOM 2772 N N . HIS A 1 391 ? -8.513 -11.775 -19.765 1.00 35.02 ? 414 HIS A N 1 ATOM 2773 C CA . HIS A 1 391 ? -8.673 -10.977 -20.966 1.00 29.54 ? 414 HIS A CA 1 ATOM 2774 C C . HIS A 1 391 ? -10.117 -10.952 -21.459 1.00 26.31 ? 414 HIS A C 1 ATOM 2775 O O . HIS A 1 391 ? -10.364 -10.697 -22.644 1.00 22.24 ? 414 HIS A O 1 ATOM 2776 C CB . HIS A 1 391 ? -7.714 -11.502 -22.032 1.00 24.40 ? 414 HIS A CB 1 ATOM 2777 C CG . HIS A 1 391 ? -6.283 -11.323 -21.655 1.00 28.32 ? 414 HIS A CG 1 ATOM 2778 N ND1 . HIS A 1 391 ? -5.638 -10.114 -21.774 1.00 25.59 ? 414 HIS A ND1 1 ATOM 2779 C CD2 . HIS A 1 391 ? -5.388 -12.174 -21.093 1.00 29.05 ? 414 HIS A CD2 1 ATOM 2780 C CE1 . HIS A 1 391 ? -4.398 -10.234 -21.342 1.00 30.48 ? 414 HIS A CE1 1 ATOM 2781 N NE2 . HIS A 1 391 ? -4.217 -11.476 -20.927 1.00 31.54 ? 414 HIS A NE2 1 ATOM 2782 N N . PHE A 1 392 ? -11.070 -11.227 -20.571 1.00 27.60 ? 415 PHE A N 1 ATOM 2783 C CA . PHE A 1 392 ? -12.497 -11.061 -20.837 1.00 27.83 ? 415 PHE A CA 1 ATOM 2784 C C . PHE A 1 392 ? -13.178 -10.806 -19.498 1.00 29.43 ? 415 PHE A C 1 ATOM 2785 O O . PHE A 1 392 ? -12.618 -11.089 -18.434 1.00 23.64 ? 415 PHE A O 1 ATOM 2786 C CB . PHE A 1 392 ? -13.110 -12.310 -21.482 1.00 20.76 ? 415 PHE A CB 1 ATOM 2787 C CG . PHE A 1 392 ? -13.071 -13.501 -20.568 1.00 26.49 ? 415 PHE A CG 1 ATOM 2788 C CD1 . PHE A 1 392 ? -11.953 -14.326 -20.530 1.00 26.74 ? 415 PHE A CD1 1 ATOM 2789 C CD2 . PHE A 1 392 ? -14.121 -13.751 -19.687 1.00 24.31 ? 415 PHE A CD2 1 ATOM 2790 C CE1 . PHE A 1 392 ? -11.886 -15.402 -19.647 1.00 31.92 ? 415 PHE A CE1 1 ATOM 2791 C CE2 . PHE A 1 392 ? -14.066 -14.827 -18.808 1.00 28.30 ? 415 PHE A CE2 1 ATOM 2792 C CZ . PHE A 1 392 ? -12.950 -15.651 -18.781 1.00 30.79 ? 415 PHE A CZ 1 ATOM 2793 N N . LYS A 1 393 ? -14.417 -10.331 -19.563 1.00 26.32 ? 416 LYS A N 1 ATOM 2794 C CA . LYS A 1 393 ? -15.251 -10.263 -18.372 1.00 24.23 ? 416 LYS A CA 1 ATOM 2795 C C . LYS A 1 393 ? -16.628 -10.828 -18.680 1.00 20.61 ? 416 LYS A C 1 ATOM 2796 O O . LYS A 1 393 ? -17.246 -10.449 -19.684 1.00 19.61 ? 416 LYS A O 1 ATOM 2797 C CB . LYS A 1 393 ? -15.364 -8.826 -17.861 1.00 23.75 ? 416 LYS A CB 1 ATOM 2798 C CG . LYS A 1 393 ? -16.216 -8.762 -16.582 1.00 27.33 ? 416 LYS A CG 1 ATOM 2799 C CD . LYS A 1 393 ? -16.262 -7.356 -15.992 1.00 27.45 ? 416 LYS A CD 1 ATOM 2800 C CE . LYS A 1 393 ? -14.899 -6.730 -16.037 1.00 26.80 ? 416 LYS A CE 1 ATOM 2801 N NZ . LYS A 1 393 ? -14.008 -7.419 -14.999 1.00 22.43 ? 416 LYS A NZ 1 ATOM 2802 N N . ALA A 1 394 ? -17.096 -11.732 -17.823 1.00 20.82 ? 417 ALA A N 1 ATOM 2803 C CA . ALA A 1 394 ? -18.411 -12.342 -17.964 1.00 23.94 ? 417 ALA A CA 1 ATOM 2804 C C . ALA A 1 394 ? -19.512 -11.468 -17.367 1.00 22.60 ? 417 ALA A C 1 ATOM 2805 O O . ALA A 1 394 ? -19.323 -10.820 -16.336 1.00 20.71 ? 417 ALA A O 1 ATOM 2806 C CB . ALA A 1 394 ? -18.420 -13.714 -17.282 1.00 27.36 ? 417 ALA A CB 1 ATOM 2807 N N . TYR A 1 395 ? -20.684 -11.513 -17.990 1.00 20.16 ? 418 TYR A N 1 ATOM 2808 C CA . TYR A 1 395 ? -21.858 -10.740 -17.602 1.00 19.93 ? 418 TYR A CA 1 ATOM 2809 C C . TYR A 1 395 ? -23.108 -11.557 -17.871 1.00 22.45 ? 418 TYR A C 1 ATOM 2810 O O . TYR A 1 395 ? -23.222 -12.176 -18.934 1.00 20.52 ? 418 TYR A O 1 ATOM 2811 C CB . TYR A 1 395 ? -22.027 -9.444 -18.422 1.00 17.61 ? 418 TYR A CB 1 ATOM 2812 C CG . TYR A 1 395 ? -21.028 -8.313 -18.202 1.00 21.98 ? 418 TYR A CG 1 ATOM 2813 C CD1 . TYR A 1 395 ? -19.776 -8.311 -18.835 1.00 17.03 ? 418 TYR A CD1 1 ATOM 2814 C CD2 . TYR A 1 395 ? -21.364 -7.205 -17.407 1.00 17.35 ? 418 TYR A CD2 1 ATOM 2815 C CE1 . TYR A 1 395 ? -18.863 -7.210 -18.654 1.00 16.85 ? 418 TYR A CE1 1 ATOM 2816 C CE2 . TYR A 1 395 ? -20.468 -6.163 -17.195 1.00 17.22 ? 418 TYR A CE2 1 ATOM 2817 C CZ . TYR A 1 395 ? -19.220 -6.159 -17.838 1.00 19.64 ? 418 TYR A CZ 1 ATOM 2818 O OH . TYR A 1 395 ? -18.342 -5.099 -17.650 1.00 20.91 ? 418 TYR A OH 1 ATOM 2819 N N . LEU A 1 396 ? -24.071 -11.493 -16.952 1.00 20.86 ? 419 LEU A N 1 ATOM 2820 C CA . LEU A 1 396 ? -25.462 -11.665 -17.356 1.00 19.90 ? 419 LEU A CA 1 ATOM 2821 C C . LEU A 1 396 ? -25.844 -10.496 -18.258 1.00 18.44 ? 419 LEU A C 1 ATOM 2822 O O . LEU A 1 396 ? -25.396 -9.374 -18.042 1.00 17.91 ? 419 LEU A O 1 ATOM 2823 C CB . LEU A 1 396 ? -26.398 -11.714 -16.133 1.00 21.15 ? 419 LEU A CB 1 ATOM 2824 C CG . LEU A 1 396 ? -25.983 -12.682 -15.031 1.00 22.88 ? 419 LEU A CG 1 ATOM 2825 C CD1 . LEU A 1 396 ? -26.803 -12.556 -13.746 1.00 24.24 ? 419 LEU A CD1 1 ATOM 2826 C CD2 . LEU A 1 396 ? -26.115 -14.077 -15.617 1.00 30.60 ? 419 LEU A CD2 1 ATOM 2827 N N . ALA A 1 397 ? -26.704 -10.757 -19.252 1.00 22.73 ? 420 ALA A N 1 ATOM 2828 C CA . ALA A 1 397 ? -27.019 -9.717 -20.238 1.00 18.84 ? 420 ALA A CA 1 ATOM 2829 C C . ALA A 1 397 ? -27.567 -8.450 -19.582 1.00 17.41 ? 420 ALA A C 1 ATOM 2830 O O . ALA A 1 397 ? -27.256 -7.344 -20.024 1.00 18.72 ? 420 ALA A O 1 ATOM 2831 C CB . ALA A 1 397 ? -28.017 -10.239 -21.280 1.00 17.49 ? 420 ALA A CB 1 ATOM 2832 N N . LYS A 1 398 ? -28.376 -8.585 -18.534 1.00 21.58 ? 421 LYS A N 1 ATOM 2833 C CA . LYS A 1 398 ? -28.947 -7.407 -17.878 1.00 21.71 ? 421 LYS A CA 1 ATOM 2834 C C . LYS A 1 398 ? -27.899 -6.519 -17.190 1.00 19.38 ? 421 LYS A C 1 ATOM 2835 O O . LYS A 1 398 ? -28.196 -5.351 -16.917 1.00 17.78 ? 421 LYS A O 1 ATOM 2836 C CB . LYS A 1 398 ? -29.975 -7.848 -16.833 1.00 21.10 ? 421 LYS A CB 1 ATOM 2837 C CG . LYS A 1 398 ? -29.256 -8.517 -15.664 1.00 26.31 ? 421 LYS A CG 1 ATOM 2838 C CD . LYS A 1 398 ? -30.188 -8.940 -14.558 1.00 29.35 ? 421 LYS A CD 1 ATOM 2839 C CE . LYS A 1 398 ? -29.405 -9.540 -13.398 1.00 30.26 ? 421 LYS A CE 1 ATOM 2840 N NZ . LYS A 1 398 ? -30.364 -10.130 -12.447 1.00 37.81 ? 421 LYS A NZ 1 ATOM 2841 N N . ASP A 1 399 ? -26.703 -7.046 -16.869 1.00 18.04 ? 422 ASP A N 1 ATOM 2842 C CA . ASP A 1 399 ? -25.622 -6.267 -16.255 1.00 18.05 ? 422 ASP A CA 1 ATOM 2843 C C . ASP A 1 399 ? -24.661 -5.657 -17.279 1.00 16.85 ? 422 ASP A C 1 ATOM 2844 O O . ASP A 1 399 ? -23.775 -4.897 -16.887 1.00 23.56 ? 422 ASP A O 1 ATOM 2845 C CB . ASP A 1 399 ? -24.815 -7.142 -15.258 1.00 19.20 ? 422 ASP A CB 1 ATOM 2846 C CG . ASP A 1 399 ? -25.675 -7.673 -14.105 1.00 25.17 ? 422 ASP A CG 1 ATOM 2847 O OD1 . ASP A 1 399 ? -26.627 -6.985 -13.690 1.00 23.88 ? 422 ASP A OD1 1 ATOM 2848 O OD2 . ASP A 1 399 ? -25.358 -8.756 -13.575 1.00 31.22 ? 422 ASP A OD2 1 ATOM 2849 N N . LEU A 1 400 ? -24.802 -6.000 -18.556 1.00 18.16 ? 423 LEU A N 1 ATOM 2850 C CA . LEU A 1 400 ? -24.029 -5.353 -19.607 1.00 16.07 ? 423 LEU A CA 1 ATOM 2851 C C . LEU A 1 400 ? -24.272 -3.845 -19.607 1.00 15.26 ? 423 LEU A C 1 ATOM 2852 O O . LEU A 1 400 ? -25.371 -3.380 -19.297 1.00 16.43 ? 423 LEU A O 1 ATOM 2853 C CB . LEU A 1 400 ? -24.367 -5.917 -20.985 1.00 14.30 ? 423 LEU A CB 1 ATOM 2854 C CG . LEU A 1 400 ? -23.846 -7.320 -21.314 1.00 22.55 ? 423 LEU A CG 1 ATOM 2855 C CD1 . LEU A 1 400 ? -24.565 -7.904 -22.567 1.00 14.17 ? 423 LEU A CD1 1 ATOM 2856 C CD2 . LEU A 1 400 ? -22.287 -7.323 -21.504 1.00 18.80 ? 423 LEU A CD2 1 ATOM 2857 N N . PRO A 1 401 ? -23.219 -3.060 -19.886 1.00 16.95 ? 424 PRO A N 1 ATOM 2858 C CA . PRO A 1 401 ? -23.391 -1.626 -20.141 1.00 14.02 ? 424 PRO A CA 1 ATOM 2859 C C . PRO A 1 401 ? -24.650 -1.345 -20.957 1.00 16.86 ? 424 PRO A C 1 ATOM 2860 O O . PRO A 1 401 ? -24.873 -1.941 -22.023 1.00 13.46 ? 424 PRO A O 1 ATOM 2861 C CB . PRO A 1 401 ? -22.132 -1.219 -20.940 1.00 13.53 ? 424 PRO A CB 1 ATOM 2862 C CG . PRO A 1 401 ? -21.032 -2.213 -20.386 1.00 18.42 ? 424 PRO A CG 1 ATOM 2863 C CD . PRO A 1 401 ? -21.821 -3.514 -20.084 1.00 21.04 ? 424 PRO A CD 1 ATOM 2864 N N . LYS A 1 402 ? -25.486 -0.435 -20.466 1.00 14.08 ? 425 LYS A N 1 ATOM 2865 C CA . LYS A 1 402 ? -26.768 -0.144 -21.095 1.00 16.37 ? 425 LYS A CA 1 ATOM 2866 C C . LYS A 1 402 ? -26.613 0.460 -22.476 1.00 20.49 ? 425 LYS A C 1 ATOM 2867 O O . LYS A 1 402 ? -27.501 0.276 -23.303 1.00 20.53 ? 425 LYS A O 1 ATOM 2868 C CB . LYS A 1 402 ? -27.539 0.794 -20.190 1.00 14.88 ? 425 LYS A CB 1 ATOM 2869 C CG . LYS A 1 402 ? -27.793 0.188 -18.861 1.00 15.86 ? 425 LYS A CG 1 ATOM 2870 C CD . LYS A 1 402 ? -28.633 -1.107 -18.980 1.00 19.65 ? 425 LYS A CD 1 ATOM 2871 C CE . LYS A 1 402 ? -30.117 -0.713 -18.758 1.00 19.71 ? 425 LYS A CE 1 ATOM 2872 N NZ . LYS A 1 402 ? -31.094 -1.765 -19.223 1.00 20.22 ? 425 LYS A NZ 1 ATOM 2873 N N . ARG A 1 403 ? -25.521 1.197 -22.711 1.00 18.46 ? 426 ARG A N 1 ATOM 2874 C CA . ARG A 1 403 ? -25.186 1.726 -24.031 1.00 19.70 ? 426 ARG A CA 1 ATOM 2875 C C . ARG A 1 403 ? -25.160 0.636 -25.103 1.00 17.70 ? 426 ARG A C 1 ATOM 2876 O O . ARG A 1 403 ? -25.335 0.940 -26.288 1.00 20.19 ? 426 ARG A O 1 ATOM 2877 C CB . ARG A 1 403 ? -23.819 2.439 -23.959 1.00 15.50 ? 426 ARG A CB 1 ATOM 2878 C CG . ARG A 1 403 ? -22.630 1.426 -23.659 1.00 14.85 ? 426 ARG A CG 1 ATOM 2879 C CD . ARG A 1 403 ? -21.236 2.070 -23.541 1.00 12.91 ? 426 ARG A CD 1 ATOM 2880 N NE . ARG A 1 403 ? -20.222 1.173 -22.992 1.00 12.92 ? 426 ARG A NE 1 ATOM 2881 C CZ . ARG A 1 403 ? -19.595 0.232 -23.708 1.00 14.27 ? 426 ARG A CZ 1 ATOM 2882 N NH1 . ARG A 1 403 ? -19.909 0.013 -25.010 1.00 12.12 ? 426 ARG A NH1 1 ATOM 2883 N NH2 . ARG A 1 403 ? -18.654 -0.507 -23.112 1.00 14.94 ? 426 ARG A NH2 1 ATOM 2884 N N . LEU A 1 404 ? -24.958 -0.629 -24.732 1.00 17.37 ? 427 LEU A N 1 ATOM 2885 C CA . LEU A 1 404 ? -24.925 -1.713 -25.718 1.00 14.37 ? 427 LEU A CA 1 ATOM 2886 C C . LEU A 1 404 ? -26.322 -2.154 -26.151 1.00 17.24 ? 427 LEU A C 1 ATOM 2887 O O . LEU A 1 404 ? -26.454 -2.815 -27.191 1.00 16.74 ? 427 LEU A O 1 ATOM 2888 C CB . LEU A 1 404 ? -24.168 -2.915 -25.155 1.00 18.89 ? 427 LEU A CB 1 ATOM 2889 C CG . LEU A 1 404 ? -22.667 -2.729 -24.892 1.00 16.46 ? 427 LEU A CG 1 ATOM 2890 C CD1 . LEU A 1 404 ? -22.028 -3.927 -24.159 1.00 13.60 ? 427 LEU A CD1 1 ATOM 2891 C CD2 . LEU A 1 404 ? -21.920 -2.545 -26.256 1.00 16.08 ? 427 LEU A CD2 1 ATOM 2892 N N . HIS A 1 405 ? -27.350 -1.787 -25.391 1.00 13.87 ? 428 HIS A N 1 ATOM 2893 C CA . HIS A 1 405 ? -28.731 -2.196 -25.668 1.00 17.43 ? 428 HIS A CA 1 ATOM 2894 C C . HIS A 1 405 ? -28.809 -3.668 -26.070 1.00 17.79 ? 428 HIS A C 1 ATOM 2895 O O . HIS A 1 405 ? -29.420 -4.027 -27.074 1.00 18.65 ? 428 HIS A O 1 ATOM 2896 C CB . HIS A 1 405 ? -29.356 -1.302 -26.744 1.00 13.14 ? 428 HIS A CB 1 ATOM 2897 C CG . HIS A 1 405 ? -29.450 0.129 -26.327 1.00 17.25 ? 428 HIS A CG 1 ATOM 2898 N ND1 . HIS A 1 405 ? -30.413 0.567 -25.451 1.00 20.25 ? 428 HIS A ND1 1 ATOM 2899 C CD2 . HIS A 1 405 ? -28.679 1.203 -26.615 1.00 16.81 ? 428 HIS A CD2 1 ATOM 2900 C CE1 . HIS A 1 405 ? -30.234 1.859 -25.222 1.00 24.08 ? 428 HIS A CE1 1 ATOM 2901 N NE2 . HIS A 1 405 ? -29.182 2.265 -25.913 1.00 18.41 ? 428 HIS A NE2 1 ATOM 2902 N N . PHE A 1 406 ? -28.174 -4.533 -25.275 1.00 14.96 ? 429 PHE A N 1 ATOM 2903 C CA . PHE A 1 406 ? -28.002 -5.943 -25.640 1.00 15.39 ? 429 PHE A CA 1 ATOM 2904 C C . PHE A 1 406 ? -28.516 -6.874 -24.526 1.00 19.82 ? 429 PHE A C 1 ATOM 2905 O O . PHE A 1 406 ? -27.744 -7.565 -23.841 1.00 18.89 ? 429 PHE A O 1 ATOM 2906 C CB . PHE A 1 406 ? -26.538 -6.219 -25.970 1.00 18.38 ? 429 PHE A CB 1 ATOM 2907 C CG . PHE A 1 406 ? -26.323 -7.491 -26.792 1.00 16.98 ? 429 PHE A CG 1 ATOM 2908 C CD1 . PHE A 1 406 ? -26.741 -7.565 -28.108 1.00 17.20 ? 429 PHE A CD1 1 ATOM 2909 C CD2 . PHE A 1 406 ? -25.704 -8.592 -26.232 1.00 13.47 ? 429 PHE A CD2 1 ATOM 2910 C CE1 . PHE A 1 406 ? -26.540 -8.743 -28.866 1.00 13.76 ? 429 PHE A CE1 1 ATOM 2911 C CE2 . PHE A 1 406 ? -25.496 -9.783 -26.975 1.00 17.37 ? 429 PHE A CE2 1 ATOM 2912 C CZ . PHE A 1 406 ? -25.900 -9.855 -28.286 1.00 16.10 ? 429 PHE A CZ 1 ATOM 2913 N N . ALA A 1 407 ? -29.844 -6.966 -24.396 1.00 20.63 ? 430 ALA A N 1 ATOM 2914 C CA . ALA A 1 407 ? -30.410 -7.858 -23.380 1.00 17.80 ? 430 ALA A CA 1 ATOM 2915 C C . ALA A 1 407 ? -31.817 -8.362 -23.707 1.00 22.49 ? 430 ALA A C 1 ATOM 2916 O O . ALA A 1 407 ? -32.152 -9.515 -23.396 1.00 21.65 ? 430 ALA A O 1 ATOM 2917 C CB . ALA A 1 407 ? -30.442 -7.147 -22.020 1.00 15.60 ? 430 ALA A CB 1 ATOM 2918 N N . ASN A 1 408 ? -32.642 -7.502 -24.316 1.00 19.98 ? 431 ASN A N 1 ATOM 2919 C CA . ASN A 1 408 ? -34.088 -7.725 -24.407 1.00 23.47 ? 431 ASN A CA 1 ATOM 2920 C C . ASN A 1 408 ? -34.428 -8.544 -25.647 1.00 16.58 ? 431 ASN A C 1 ATOM 2921 O O . ASN A 1 408 ? -35.090 -8.090 -26.571 1.00 22.77 ? 431 ASN A O 1 ATOM 2922 C CB . ASN A 1 408 ? -34.842 -6.391 -24.420 1.00 23.08 ? 431 ASN A CB 1 ATOM 2923 C CG . ASN A 1 408 ? -36.351 -6.586 -24.405 1.00 22.48 ? 431 ASN A CG 1 ATOM 2924 O OD1 . ASN A 1 408 ? -36.852 -7.609 -23.908 1.00 24.47 ? 431 ASN A OD1 1 ATOM 2925 N ND2 . ASN A 1 408 ? -37.076 -5.638 -24.969 1.00 17.99 ? 431 ASN A ND2 1 ATOM 2926 N N . ASN A 1 409 ? -33.946 -9.780 -25.655 1.00 17.64 ? 432 ASN A N 1 ATOM 2927 C CA . ASN A 1 409 ? -34.341 -10.725 -26.693 1.00 19.68 ? 432 ASN A CA 1 ATOM 2928 C C . ASN A 1 409 ? -34.053 -12.126 -26.182 1.00 20.97 ? 432 ASN A C 1 ATOM 2929 O O . ASN A 1 409 ? -32.966 -12.372 -25.662 1.00 22.92 ? 432 ASN A O 1 ATOM 2930 C CB . ASN A 1 409 ? -33.580 -10.457 -28.015 1.00 17.08 ? 432 ASN A CB 1 ATOM 2931 C CG . ASN A 1 409 ? -34.237 -11.151 -29.198 1.00 23.33 ? 432 ASN A CG 1 ATOM 2932 O OD1 . ASN A 1 409 ? -34.255 -12.389 -29.275 1.00 23.54 ? 432 ASN A OD1 1 ATOM 2933 N ND2 . ASN A 1 409 ? -34.815 -10.362 -30.105 1.00 17.48 ? 432 ASN A ND2 1 ATOM 2934 N N . ILE A 1 410 ? -35.005 -13.048 -26.368 1.00 21.48 ? 433 ILE A N 1 ATOM 2935 C CA . ILE A 1 410 ? -34.806 -14.419 -25.905 1.00 22.68 ? 433 ILE A CA 1 ATOM 2936 C C . ILE A 1 410 ? -33.598 -15.073 -26.573 1.00 21.23 ? 433 ILE A C 1 ATOM 2937 O O . ILE A 1 410 ? -33.048 -16.035 -26.026 1.00 20.26 ? 433 ILE A O 1 ATOM 2938 C CB . ILE A 1 410 ? -36.070 -15.298 -26.129 1.00 25.56 ? 433 ILE A CB 1 ATOM 2939 C CG1 . ILE A 1 410 ? -36.031 -16.582 -25.276 1.00 23.22 ? 433 ILE A CG1 1 ATOM 2940 C CG2 . ILE A 1 410 ? -36.211 -15.729 -27.598 1.00 21.37 ? 433 ILE A CG2 1 ATOM 2941 C CD1 . ILE A 1 410 ? -35.876 -16.375 -23.786 1.00 30.20 ? 433 ILE A CD1 1 ATOM 2942 N N . ARG A 1 411 ? -33.185 -14.597 -27.747 1.00 18.63 ? 434 ARG A N 1 ATOM 2943 C CA . ARG A 1 411 ? -32.043 -15.196 -28.442 1.00 24.12 ? 434 ARG A CA 1 ATOM 2944 C C . ARG A 1 411 ? -30.706 -14.785 -27.833 1.00 22.34 ? 434 ARG A C 1 ATOM 2945 O O . ARG A 1 411 ? -29.676 -15.430 -28.094 1.00 19.39 ? 434 ARG A O 1 ATOM 2946 C CB . ARG A 1 411 ? -32.076 -14.797 -29.920 1.00 26.39 ? 434 ARG A CB 1 ATOM 2947 C CG . ARG A 1 411 ? -33.382 -15.225 -30.624 1.00 24.22 ? 434 ARG A CG 1 ATOM 2948 C CD . ARG A 1 411 ? -33.547 -14.537 -31.962 1.00 23.67 ? 434 ARG A CD 1 ATOM 2949 N NE . ARG A 1 411 ? -34.850 -14.866 -32.521 1.00 21.42 ? 434 ARG A NE 1 ATOM 2950 C CZ . ARG A 1 411 ? -35.365 -14.311 -33.612 1.00 25.26 ? 434 ARG A CZ 1 ATOM 2951 N NH1 . ARG A 1 411 ? -34.696 -13.374 -34.285 1.00 19.59 ? 434 ARG A NH1 1 ATOM 2952 N NH2 . ARG A 1 411 ? -36.558 -14.701 -34.027 1.00 23.80 ? 434 ARG A NH2 1 ATOM 2953 N N . ILE A 1 412 ? -30.705 -13.702 -27.062 1.00 20.64 ? 435 ILE A N 1 ATOM 2954 C CA . ILE A 1 412 ? -29.518 -13.222 -26.378 1.00 16.79 ? 435 ILE A CA 1 ATOM 2955 C C . ILE A 1 412 ? -29.381 -14.035 -25.118 1.00 17.80 ? 435 ILE A C 1 ATOM 2956 O O . ILE A 1 412 ? -30.010 -13.737 -24.102 1.00 19.69 ? 435 ILE A O 1 ATOM 2957 C CB . ILE A 1 412 ? -29.605 -11.727 -26.042 1.00 16.78 ? 435 ILE A CB 1 ATOM 2958 C CG1 . ILE A 1 412 ? -29.674 -10.921 -27.338 1.00 15.13 ? 435 ILE A CG1 1 ATOM 2959 C CG2 . ILE A 1 412 ? -28.392 -11.324 -25.132 1.00 15.67 ? 435 ILE A CG2 1 ATOM 2960 C CD1 . ILE A 1 412 ? -29.844 -9.463 -27.127 1.00 14.99 ? 435 ILE A CD1 1 ATOM 2961 N N . ASP A 1 413 ? -28.581 -15.089 -25.203 1.00 20.88 ? 436 ASP A N 1 ATOM 2962 C CA . ASP A 1 413 ? -28.306 -15.929 -24.060 1.00 21.74 ? 436 ASP A CA 1 ATOM 2963 C C . ASP A 1 413 ? -27.863 -15.071 -22.892 1.00 21.25 ? 436 ASP A C 1 ATOM 2964 O O . ASP A 1 413 ? -27.177 -14.072 -23.072 1.00 17.99 ? 436 ASP A O 1 ATOM 2965 C CB . ASP A 1 413 ? -27.222 -16.922 -24.438 1.00 21.02 ? 436 ASP A CB 1 ATOM 2966 C CG . ASP A 1 413 ? -27.624 -17.765 -25.599 1.00 23.25 ? 436 ASP A CG 1 ATOM 2967 O OD1 . ASP A 1 413 ? -28.431 -18.711 -25.394 1.00 24.50 ? 436 ASP A OD1 1 ATOM 2968 O OD2 . ASP A 1 413 ? -27.128 -17.474 -26.711 1.00 27.28 ? 436 ASP A OD2 1 ATOM 2969 N N . LYS A 1 414 ? -28.245 -15.481 -21.683 1.00 23.12 ? 437 LYS A N 1 ATOM 2970 C CA . LYS A 1 414 ? -27.938 -14.651 -20.525 1.00 23.93 ? 437 LYS A CA 1 ATOM 2971 C C . LYS A 1 414 ? -26.438 -14.475 -20.326 1.00 22.17 ? 437 LYS A C 1 ATOM 2972 O O . LYS A 1 414 ? -25.976 -13.368 -20.012 1.00 24.22 ? 437 LYS A O 1 ATOM 2973 C CB . LYS A 1 414 ? -28.560 -15.243 -19.271 1.00 25.44 ? 437 LYS A CB 1 ATOM 2974 C CG . LYS A 1 414 ? -29.987 -14.777 -19.000 1.00 21.95 ? 437 LYS A CG 1 ATOM 2975 C CD . LYS A 1 414 ? -30.666 -15.831 -18.113 1.00 33.20 ? 437 LYS A CD 1 ATOM 2976 C CE . LYS A 1 414 ? -31.684 -15.229 -17.191 1.00 44.77 ? 437 LYS A CE 1 ATOM 2977 N NZ . LYS A 1 414 ? -32.904 -14.819 -17.907 1.00 51.55 ? 437 LYS A NZ 1 ATOM 2978 N N . VAL A 1 415 ? -25.665 -15.549 -20.485 1.00 22.27 ? 438 VAL A N 1 ATOM 2979 C CA . VAL A 1 415 ? -24.220 -15.487 -20.279 1.00 22.64 ? 438 VAL A CA 1 ATOM 2980 C C . VAL A 1 415 ? -23.579 -14.815 -21.481 1.00 19.84 ? 438 VAL A C 1 ATOM 2981 O O . VAL A 1 415 ? -23.615 -15.352 -22.596 1.00 21.23 ? 438 VAL A O 1 ATOM 2982 C CB . VAL A 1 415 ? -23.616 -16.884 -20.056 1.00 26.23 ? 438 VAL A CB 1 ATOM 2983 C CG1 . VAL A 1 415 ? -22.087 -16.784 -19.901 1.00 22.42 ? 438 VAL A CG1 1 ATOM 2984 C CG2 . VAL A 1 415 ? -24.202 -17.491 -18.832 1.00 23.81 ? 438 VAL A CG2 1 ATOM 2985 N N . ASN A 1 416 ? -22.955 -13.670 -21.247 1.00 22.15 ? 439 ASN A N 1 ATOM 2986 C CA . ASN A 1 416 ? -22.160 -12.965 -22.238 1.00 21.44 ? 439 ASN A CA 1 ATOM 2987 C C . ASN A 1 416 ? -20.742 -12.739 -21.712 1.00 26.81 ? 439 ASN A C 1 ATOM 2988 O O . ASN A 1 416 ? -20.550 -12.462 -20.527 1.00 25.06 ? 439 ASN A O 1 ATOM 2989 C CB . ASN A 1 416 ? -22.800 -11.631 -22.556 1.00 16.22 ? 439 ASN A CB 1 ATOM 2990 C CG . ASN A 1 416 ? -24.075 -11.796 -23.316 1.00 19.54 ? 439 ASN A CG 1 ATOM 2991 O OD1 . ASN A 1 416 ? -24.087 -11.688 -24.528 1.00 18.41 ? 439 ASN A OD1 1 ATOM 2992 N ND2 . ASN A 1 416 ? -25.163 -12.080 -22.603 1.00 16.52 ? 439 ASN A ND2 1 ATOM 2993 N N . LEU A 1 417 ? -19.766 -12.830 -22.605 1.00 21.42 ? 440 LEU A N 1 ATOM 2994 C CA . LEU A 1 417 ? -18.380 -12.483 -22.329 1.00 21.41 ? 440 LEU A CA 1 ATOM 2995 C C . LEU A 1 417 ? -18.021 -11.228 -23.119 1.00 21.75 ? 440 LEU A C 1 ATOM 2996 O O . LEU A 1 417 ? -18.204 -11.186 -24.339 1.00 19.24 ? 440 LEU A O 1 ATOM 2997 C CB . LEU A 1 417 ? -17.448 -13.644 -22.714 1.00 18.92 ? 440 LEU A CB 1 ATOM 2998 C CG . LEU A 1 417 ? -17.206 -14.769 -21.697 1.00 28.49 ? 440 LEU A CG 1 ATOM 2999 C CD1 . LEU A 1 417 ? -18.469 -15.245 -21.022 1.00 29.54 ? 440 LEU A CD1 1 ATOM 3000 C CD2 . LEU A 1 417 ? -16.451 -15.965 -22.307 1.00 30.50 ? 440 LEU A CD2 1 ATOM 3001 N N . MET A 1 418 ? -17.545 -10.189 -22.430 1.00 19.75 ? 441 MET A N 1 ATOM 3002 C CA . MET A 1 418 ? -16.969 -9.037 -23.114 1.00 18.82 ? 441 MET A CA 1 ATOM 3003 C C . MET A 1 418 ? -15.468 -9.271 -23.187 1.00 22.75 ? 441 MET A C 1 ATOM 3004 O O . MET A 1 418 ? -14.802 -9.356 -22.150 1.00 21.28 ? 441 MET A O 1 ATOM 3005 C CB . MET A 1 418 ? -17.305 -7.732 -22.402 1.00 22.90 ? 441 MET A CB 1 ATOM 3006 C CG . MET A 1 418 ? -18.774 -7.339 -22.521 1.00 34.33 ? 441 MET A CG 1 ATOM 3007 S SD . MET A 1 418 ? -19.219 -6.873 -24.229 1.00 38.65 ? 441 MET A SD 1 ATOM 3008 C CE . MET A 1 418 ? -18.317 -5.324 -24.397 1.00 46.20 ? 441 MET A CE 1 ATOM 3009 N N . VAL A 1 419 ? -14.933 -9.396 -24.407 1.00 17.46 ? 442 VAL A N 1 ATOM 3010 C CA . VAL A 1 419 ? -13.538 -9.821 -24.600 1.00 19.63 ? 442 VAL A CA 1 ATOM 3011 C C . VAL A 1 419 ? -12.657 -8.613 -24.893 1.00 22.43 ? 442 VAL A C 1 ATOM 3012 O O . VAL A 1 419 ? -13.060 -7.689 -25.621 1.00 21.02 ? 442 VAL A O 1 ATOM 3013 C CB . VAL A 1 419 ? -13.431 -10.878 -25.721 1.00 24.39 ? 442 VAL A CB 1 ATOM 3014 C CG1 . VAL A 1 419 ? -11.932 -11.319 -25.969 1.00 25.87 ? 442 VAL A CG1 1 ATOM 3015 C CG2 . VAL A 1 419 ? -14.245 -12.094 -25.347 1.00 20.36 ? 442 VAL A CG2 1 ATOM 3016 N N . ASP A 1 420 ? -11.464 -8.600 -24.291 1.00 24.52 ? 443 ASP A N 1 ATOM 3017 C CA . ASP A 1 420 ? -10.480 -7.564 -24.571 1.00 22.74 ? 443 ASP A CA 1 ATOM 3018 C C . ASP A 1 420 ? -10.129 -7.556 -26.050 1.00 23.86 ? 443 ASP A C 1 ATOM 3019 O O . ASP A 1 420 ? -10.116 -8.602 -26.718 1.00 19.24 ? 443 ASP A O 1 ATOM 3020 C CB . ASP A 1 420 ? -9.197 -7.776 -23.765 1.00 22.21 ? 443 ASP A CB 1 ATOM 3021 C CG . ASP A 1 420 ? -9.371 -7.528 -22.282 1.00 26.44 ? 443 ASP A CG 1 ATOM 3022 O OD1 . ASP A 1 420 ? -10.425 -7.041 -21.866 1.00 35.68 ? 443 ASP A OD1 1 ATOM 3023 O OD2 . ASP A 1 420 ? -8.436 -7.828 -21.520 1.00 34.07 ? 443 ASP A OD2 1 ATOM 3024 N N . ARG A 1 421 ? -9.831 -6.360 -26.562 1.00 25.68 ? 444 ARG A N 1 ATOM 3025 C CA . ARG A 1 421 ? -9.459 -6.253 -27.969 1.00 29.84 ? 444 ARG A CA 1 ATOM 3026 C C . ARG A 1 421 ? -8.218 -7.097 -28.259 1.00 25.41 ? 444 ARG A C 1 ATOM 3027 O O . ARG A 1 421 ? -7.289 -7.191 -27.439 1.00 22.33 ? 444 ARG A O 1 ATOM 3028 C CB . ARG A 1 421 ? -9.245 -4.785 -28.360 1.00 36.64 ? 444 ARG A CB 1 ATOM 3029 C CG . ARG A 1 421 ? -8.191 -4.053 -27.566 1.00 36.59 ? 444 ARG A CG 1 ATOM 3030 C CD . ARG A 1 421 ? -8.074 -2.575 -27.998 1.00 39.30 ? 444 ARG A CD 1 ATOM 3031 N NE . ARG A 1 421 ? -7.750 -2.464 -29.416 1.00 42.39 ? 444 ARG A NE 1 ATOM 3032 C CZ . ARG A 1 421 ? -6.531 -2.277 -29.911 1.00 35.31 ? 444 ARG A CZ 1 ATOM 3033 N NH1 . ARG A 1 421 ? -5.479 -2.150 -29.111 1.00 34.15 ? 444 ARG A NH1 1 ATOM 3034 N NH2 . ARG A 1 421 ? -6.376 -2.224 -31.221 1.00 29.20 ? 444 ARG A NH2 1 ATOM 3035 N N . GLN A 1 422 ? -8.249 -7.780 -29.402 1.00 21.50 ? 445 GLN A N 1 ATOM 3036 C CA . GLN A 1 422 ? -7.163 -8.619 -29.930 1.00 27.74 ? 445 GLN A CA 1 ATOM 3037 C C . GLN A 1 422 ? -7.126 -10.016 -29.317 1.00 28.76 ? 445 GLN A C 1 ATOM 3038 O O . GLN A 1 422 ? -6.292 -10.856 -29.745 1.00 28.26 ? 445 GLN A O 1 ATOM 3039 C CB . GLN A 1 422 ? -5.791 -7.949 -29.768 1.00 26.93 ? 445 GLN A CB 1 ATOM 3040 C CG . GLN A 1 422 ? -5.753 -6.579 -30.419 1.00 24.78 ? 445 GLN A CG 1 ATOM 3041 C CD . GLN A 1 422 ? -4.339 -6.122 -30.666 1.00 30.67 ? 445 GLN A CD 1 ATOM 3042 O OE1 . GLN A 1 422 ? -3.407 -6.602 -30.036 1.00 31.12 ? 445 GLN A OE1 1 ATOM 3043 N NE2 . GLN A 1 422 ? -4.171 -5.213 -31.609 1.00 26.65 ? 445 GLN A NE2 1 ATOM 3044 N N . TRP A 1 423 ? -8.000 -10.313 -28.366 1.00 27.37 ? 446 TRP A N 1 ATOM 3045 C CA . TRP A 1 423 ? -8.117 -11.627 -27.754 1.00 21.70 ? 446 TRP A CA 1 ATOM 3046 C C . TRP A 1 423 ? -9.386 -12.330 -28.213 1.00 26.87 ? 446 TRP A C 1 ATOM 3047 O O . TRP A 1 423 ? -10.316 -11.724 -28.766 1.00 25.24 ? 446 TRP A O 1 ATOM 3048 C CB . TRP A 1 423 ? -8.116 -11.524 -26.223 1.00 22.00 ? 446 TRP A CB 1 ATOM 3049 C CG . TRP A 1 423 ? -6.772 -11.239 -25.685 1.00 24.08 ? 446 TRP A CG 1 ATOM 3050 C CD1 . TRP A 1 423 ? -6.087 -10.064 -25.773 1.00 24.59 ? 446 TRP A CD1 1 ATOM 3051 C CD2 . TRP A 1 423 ? -5.925 -12.147 -24.979 1.00 25.10 ? 446 TRP A CD2 1 ATOM 3052 N NE1 . TRP A 1 423 ? -4.865 -10.187 -25.178 1.00 26.74 ? 446 TRP A NE1 1 ATOM 3053 C CE2 . TRP A 1 423 ? -4.738 -11.454 -24.675 1.00 27.51 ? 446 TRP A CE2 1 ATOM 3054 C CE3 . TRP A 1 423 ? -6.054 -13.479 -24.582 1.00 26.27 ? 446 TRP A CE3 1 ATOM 3055 C CZ2 . TRP A 1 423 ? -3.676 -12.044 -23.990 1.00 27.95 ? 446 TRP A CZ2 1 ATOM 3056 C CZ3 . TRP A 1 423 ? -4.996 -14.076 -23.898 1.00 28.29 ? 446 TRP A CZ3 1 ATOM 3057 C CH2 . TRP A 1 423 ? -3.822 -13.354 -23.614 1.00 36.65 ? 446 TRP A CH2 1 ATOM 3058 N N . LEU A 1 424 ? -9.426 -13.633 -27.963 1.00 30.01 ? 447 LEU A N 1 ATOM 3059 C CA . LEU A 1 424 ? -10.614 -14.435 -28.205 1.00 24.78 ? 447 LEU A CA 1 ATOM 3060 C C . LEU A 1 424 ? -10.851 -15.325 -27.001 1.00 27.25 ? 447 LEU A C 1 ATOM 3061 O O . LEU A 1 424 ? -9.901 -15.754 -26.342 1.00 24.12 ? 447 LEU A O 1 ATOM 3062 C CB . LEU A 1 424 ? -10.468 -15.295 -29.466 1.00 22.50 ? 447 LEU A CB 1 ATOM 3063 C CG . LEU A 1 424 ? -10.049 -14.625 -30.777 1.00 25.67 ? 447 LEU A CG 1 ATOM 3064 C CD1 . LEU A 1 424 ? -9.879 -15.643 -31.911 1.00 24.11 ? 447 LEU A CD1 1 ATOM 3065 C CD2 . LEU A 1 424 ? -11.063 -13.571 -31.180 1.00 25.93 ? 447 LEU A CD2 1 ATOM 3066 N N . ALA A 1 425 ? -12.111 -15.617 -26.723 1.00 27.07 ? 448 ALA A N 1 ATOM 3067 C CA . ALA A 1 425 ? -12.444 -16.544 -25.654 1.00 28.10 ? 448 ALA A CA 1 ATOM 3068 C C . ALA A 1 425 ? -13.099 -17.759 -26.293 1.00 24.88 ? 448 ALA A C 1 ATOM 3069 O O . ALA A 1 425 ? -14.089 -17.625 -27.015 1.00 26.18 ? 448 ALA A O 1 ATOM 3070 C CB . ALA A 1 425 ? -13.337 -15.871 -24.603 1.00 22.27 ? 448 ALA A CB 1 ATOM 3071 N N . VAL A 1 426 ? -12.503 -18.929 -26.082 1.00 28.51 ? 449 VAL A N 1 ATOM 3072 C CA . VAL A 1 426 ? -12.831 -20.144 -26.816 1.00 26.70 ? 449 VAL A CA 1 ATOM 3073 C C . VAL A 1 426 ? -12.878 -21.290 -25.814 1.00 30.15 ? 449 VAL A C 1 ATOM 3074 O O . VAL A 1 426 ? -12.468 -21.147 -24.665 1.00 33.27 ? 449 VAL A O 1 ATOM 3075 C CB . VAL A 1 426 ? -11.823 -20.446 -27.950 1.00 28.32 ? 449 VAL A CB 1 ATOM 3076 C CG1 . VAL A 1 426 ? -11.593 -19.215 -28.841 1.00 25.95 ? 449 VAL A CG1 1 ATOM 3077 C CG2 . VAL A 1 426 ? -10.503 -20.940 -27.367 1.00 30.78 ? 449 VAL A CG2 1 ATOM 3078 N N . ARG A 1 427 ? -13.394 -22.435 -26.253 1.00 29.60 ? 450 ARG A N 1 ATOM 3079 C CA . ARG A 1 427 ? -13.583 -23.540 -25.314 1.00 39.17 ? 450 ARG A CA 1 ATOM 3080 C C . ARG A 1 427 ? -12.273 -24.203 -24.888 1.00 35.34 ? 450 ARG A C 1 ATOM 3081 O O . ARG A 1 427 ? -11.993 -24.305 -23.688 1.00 34.66 ? 450 ARG A O 1 ATOM 3082 C CB . ARG A 1 427 ? -14.526 -24.574 -25.904 1.00 39.87 ? 450 ARG A CB 1 ATOM 3083 C CG . ARG A 1 427 ? -15.959 -24.226 -25.551 1.00 43.73 ? 450 ARG A CG 1 ATOM 3084 C CD . ARG A 1 427 ? -16.842 -24.384 -26.745 1.00 47.18 ? 450 ARG A CD 1 ATOM 3085 N NE . ARG A 1 427 ? -16.488 -25.570 -27.514 1.00 49.98 ? 450 ARG A NE 1 ATOM 3086 C CZ . ARG A 1 427 ? -16.719 -26.816 -27.122 1.00 60.20 ? 450 ARG A CZ 1 ATOM 3087 N NH1 . ARG A 1 427 ? -16.348 -27.824 -27.905 1.00 64.47 ? 450 ARG A NH1 1 ATOM 3088 N NH2 . ARG A 1 427 ? -17.304 -27.057 -25.949 1.00 62.53 ? 450 ARG A NH2 1 ATOM 3089 N N . ASN A 1 428 ? -11.521 -24.714 -25.841 1.00 37.26 ? 451 ASN A N 1 ATOM 3090 C CA . ASN A 1 428 ? -10.306 -25.460 -25.576 1.00 37.13 ? 451 ASN A CA 1 ATOM 3091 C C . ASN A 1 428 ? -9.138 -25.162 -26.465 1.00 37.28 ? 451 ASN A C 1 ATOM 3092 O O . ASN A 1 428 ? -9.261 -24.479 -27.436 1.00 35.59 ? 451 ASN A O 1 ATOM 3093 C CB . ASN A 1 428 ? -10.597 -26.947 -25.594 1.00 30.00 ? 451 ASN A CB 1 ATOM 3094 C CG . ASN A 1 428 ? -11.118 -27.425 -26.921 1.00 30.00 ? 451 ASN A CG 1 ATOM 3095 O OD1 . ASN A 1 428 ? -10.506 -27.247 -27.920 1.00 30.00 ? 451 ASN A OD1 1 ATOM 3096 N ND2 . ASN A 1 428 ? -12.248 -28.030 -26.913 1.00 30.00 ? 451 ASN A ND2 1 ATOM 3097 N N . LYS A 1 429 ? -7.999 -25.710 -26.092 1.00 39.55 ? 452 LYS A N 1 ATOM 3098 C CA . LYS A 1 429 ? -6.730 -25.517 -26.762 1.00 44.63 ? 452 LYS A CA 1 ATOM 3099 C C . LYS A 1 429 ? -6.644 -25.959 -28.216 1.00 40.68 ? 452 LYS A C 1 ATOM 3100 O O . LYS A 1 429 ? -5.778 -25.582 -28.916 1.00 41.11 ? 452 LYS A O 1 ATOM 3101 C CB . LYS A 1 429 ? -5.603 -26.052 -25.892 1.00 47.34 ? 452 LYS A CB 1 ATOM 3102 C CG . LYS A 1 429 ? -5.696 -25.550 -24.477 1.00 49.68 ? 452 LYS A CG 1 ATOM 3103 C CD . LYS A 1 429 ? -4.339 -25.305 -23.848 1.00 55.35 ? 452 LYS A CD 1 ATOM 3104 C CE . LYS A 1 429 ? -4.461 -25.165 -22.351 1.00 53.33 ? 452 LYS A CE 1 ATOM 3105 N NZ . LYS A 1 429 ? -3.269 -24.498 -21.807 1.00 61.36 ? 452 LYS A NZ 1 ATOM 3106 N N . LYS A 1 430 ? -7.589 -26.747 -28.650 1.00 44.10 ? 453 LYS A N 1 ATOM 3107 C CA . LYS A 1 430 ? -7.682 -27.115 -30.050 1.00 41.86 ? 453 LYS A CA 1 ATOM 3108 C C . LYS A 1 430 ? -8.241 -26.015 -30.930 1.00 40.33 ? 453 LYS A C 1 ATOM 3109 O O . LYS A 1 430 ? -8.297 -26.207 -32.147 1.00 41.10 ? 453 LYS A O 1 ATOM 3110 C CB . LYS A 1 430 ? -8.560 -28.341 -30.209 1.00 44.62 ? 453 LYS A CB 1 ATOM 3111 C CG . LYS A 1 430 ? -8.027 -29.527 -29.485 1.00 46.18 ? 453 LYS A CG 1 ATOM 3112 C CD . LYS A 1 430 ? -8.500 -30.714 -30.212 1.00 48.02 ? 453 LYS A CD 1 ATOM 3113 C CE . LYS A 1 430 ? -7.725 -31.891 -29.769 1.00 62.48 ? 453 LYS A CE 1 ATOM 3114 N NZ . LYS A 1 430 ? -8.610 -32.749 -29.011 1.00 67.71 ? 453 LYS A NZ 1 ATOM 3115 N N . TYR A 1 431 ? -8.711 -24.905 -30.371 1.00 37.36 ? 454 TYR A N 1 ATOM 3116 C CA . TYR A 1 431 ? -9.301 -23.879 -31.221 1.00 39.76 ? 454 TYR A CA 1 ATOM 3117 C C . TYR A 1 431 ? -8.334 -23.453 -32.316 1.00 45.05 ? 454 TYR A C 1 ATOM 3118 O O . TYR A 1 431 ? -7.158 -23.188 -32.060 1.00 42.16 ? 454 TYR A O 1 ATOM 3119 C CB . TYR A 1 431 ? -9.701 -22.680 -30.391 1.00 33.01 ? 454 TYR A CB 1 ATOM 3120 C CG . TYR A 1 431 ? -10.437 -21.609 -31.135 1.00 35.12 ? 454 TYR A CG 1 ATOM 3121 C CD1 . TYR A 1 431 ? -11.818 -21.661 -31.264 1.00 30.26 ? 454 TYR A CD1 1 ATOM 3122 C CD2 . TYR A 1 431 ? -9.762 -20.508 -31.663 1.00 36.37 ? 454 TYR A CD2 1 ATOM 3123 C CE1 . TYR A 1 431 ? -12.510 -20.650 -31.893 1.00 37.24 ? 454 TYR A CE1 1 ATOM 3124 C CE2 . TYR A 1 431 ? -10.453 -19.492 -32.307 1.00 29.66 ? 454 TYR A CE2 1 ATOM 3125 C CZ . TYR A 1 431 ? -11.825 -19.568 -32.422 1.00 36.98 ? 454 TYR A CZ 1 ATOM 3126 O OH . TYR A 1 431 ? -12.530 -18.553 -33.055 1.00 37.58 ? 454 TYR A OH 1 ATOM 3127 N N . LYS A 1 432 ? -8.845 -23.370 -33.544 1.00 48.54 ? 455 LYS A N 1 ATOM 3128 C CA . LYS A 1 432 ? -7.976 -23.239 -34.701 1.00 51.37 ? 455 LYS A CA 1 ATOM 3129 C C . LYS A 1 432 ? -8.080 -21.906 -35.438 1.00 47.90 ? 455 LYS A C 1 ATOM 3130 O O . LYS A 1 432 ? -7.158 -21.571 -36.184 1.00 48.09 ? 455 LYS A O 1 ATOM 3131 C CB . LYS A 1 432 ? -8.249 -24.381 -35.694 1.00 54.03 ? 455 LYS A CB 1 ATOM 3132 C CG . LYS A 1 432 ? -7.059 -24.675 -36.589 1.00 60.29 ? 455 LYS A CG 1 ATOM 3133 C CD . LYS A 1 432 ? -7.235 -25.983 -37.388 1.00 67.72 ? 455 LYS A CD 1 ATOM 3134 C CE . LYS A 1 432 ? -6.746 -25.857 -38.842 1.00 69.94 ? 455 LYS A CE 1 ATOM 3135 N NZ . LYS A 1 432 ? -7.882 -25.557 -39.771 1.00 68.18 ? 455 LYS A NZ 1 ATOM 3136 N N . TYR A 1 433 ? -9.143 -21.122 -35.233 1.00 45.17 ? 456 TYR A N 1 ATOM 3137 C CA . TYR A 1 433 ? -9.362 -19.926 -36.052 1.00 40.77 ? 456 TYR A CA 1 ATOM 3138 C C . TYR A 1 433 ? -8.797 -18.682 -35.374 1.00 39.94 ? 456 TYR A C 1 ATOM 3139 O O . TYR A 1 433 ? -9.499 -17.700 -35.128 1.00 39.53 ? 456 TYR A O 1 ATOM 3140 C CB . TYR A 1 433 ? -10.844 -19.750 -36.354 1.00 40.49 ? 456 TYR A CB 1 ATOM 3141 C CG . TYR A 1 433 ? -11.489 -21.018 -36.828 1.00 50.53 ? 456 TYR A CG 1 ATOM 3142 C CD1 . TYR A 1 433 ? -11.207 -21.535 -38.095 1.00 55.91 ? 456 TYR A CD1 1 ATOM 3143 C CD2 . TYR A 1 433 ? -12.383 -21.703 -36.011 1.00 53.96 ? 456 TYR A CD2 1 ATOM 3144 C CE1 . TYR A 1 433 ? -11.794 -22.703 -38.532 1.00 61.15 ? 456 TYR A CE1 1 ATOM 3145 C CE2 . TYR A 1 433 ? -12.981 -22.868 -36.436 1.00 61.42 ? 456 TYR A CE2 1 ATOM 3146 C CZ . TYR A 1 433 ? -12.686 -23.369 -37.697 1.00 68.56 ? 456 TYR A CZ 1 ATOM 3147 O OH . TYR A 1 433 ? -13.283 -24.542 -38.117 1.00 71.44 ? 456 TYR A OH 1 ATOM 3148 N N . CYS A 1 434 ? -7.492 -18.714 -35.095 1.00 34.67 ? 457 CYS A N 1 ATOM 3149 C CA . CYS A 1 434 ? -6.919 -17.681 -34.242 1.00 36.50 ? 457 CYS A CA 1 ATOM 3150 C C . CYS A 1 434 ? -5.831 -16.850 -34.914 1.00 35.11 ? 457 CYS A C 1 ATOM 3151 O O . CYS A 1 434 ? -5.156 -16.078 -34.230 1.00 38.61 ? 457 CYS A O 1 ATOM 3152 C CB . CYS A 1 434 ? -6.392 -18.301 -32.950 1.00 36.77 ? 457 CYS A CB 1 ATOM 3153 S SG . CYS A 1 434 ? -5.589 -19.895 -33.172 1.00 41.60 ? 457 CYS A SG 1 ATOM 3154 N N . SER A 1 435 ? -5.643 -16.951 -36.222 1.00 29.46 ? 458 SER A N 1 ATOM 3155 C CA . SER A 1 435 ? -4.631 -16.130 -36.872 1.00 34.47 ? 458 SER A CA 1 ATOM 3156 C C . SER A 1 435 ? -5.264 -15.115 -37.824 1.00 30.04 ? 458 SER A C 1 ATOM 3157 O O . SER A 1 435 ? -6.347 -15.331 -38.362 1.00 34.66 ? 458 SER A O 1 ATOM 3158 C CB . SER A 1 435 ? -3.605 -17.006 -37.608 1.00 49.88 ? 458 SER A CB 1 ATOM 3159 O OG . SER A 1 435 ? -4.240 -17.781 -38.604 1.00 58.38 ? 458 SER A OG 1 ATOM 3160 N N . GLY A 1 436 ? -4.595 -13.991 -37.994 1.00 32.47 ? 459 GLY A N 1 ATOM 3161 C CA . GLY A 1 436 ? -5.073 -12.933 -38.885 1.00 30.33 ? 459 GLY A CA 1 ATOM 3162 C C . GLY A 1 436 ? -5.910 -11.890 -38.136 1.00 27.12 ? 459 GLY A C 1 ATOM 3163 O O . GLY A 1 436 ? -5.406 -11.215 -37.269 1.00 25.09 ? 459 GLY A O 1 ATOM 3164 N N . GLY A 1 437 ? -7.181 -11.774 -38.506 1.00 24.12 ? 460 GLY A N 1 ATOM 3165 C CA . GLY A 1 437 ? -8.019 -10.741 -37.927 1.00 23.98 ? 460 GLY A CA 1 ATOM 3166 C C . GLY A 1 437 ? -9.438 -11.211 -37.682 1.00 27.69 ? 460 GLY A C 1 ATOM 3167 O O . GLY A 1 437 ? -9.899 -12.186 -38.282 1.00 25.98 ? 460 GLY A O 1 ATOM 3168 N N . THR A 1 438 ? -10.135 -10.505 -36.791 1.00 19.89 ? 461 THR A N 1 ATOM 3169 C CA . THR A 1 438 ? -11.555 -10.779 -36.634 1.00 20.88 ? 461 THR A CA 1 ATOM 3170 C C . THR A 1 438 ? -12.259 -9.542 -36.102 1.00 17.51 ? 461 THR A C 1 ATOM 3171 O O . THR A 1 438 ? -11.653 -8.493 -35.875 1.00 20.98 ? 461 THR A O 1 ATOM 3172 C CB . THR A 1 438 ? -11.803 -11.999 -35.739 1.00 29.13 ? 461 THR A CB 1 ATOM 3173 O OG1 . THR A 1 438 ? -13.103 -12.504 -36.024 1.00 37.64 ? 461 THR A OG1 1 ATOM 3174 C CG2 . THR A 1 438 ? -11.747 -11.651 -34.275 1.00 27.49 ? 461 THR A CG2 1 ATOM 3175 N N . HIS A 1 439 ? -13.561 -9.681 -35.902 1.00 18.02 ? 462 HIS A N 1 ATOM 3176 C CA . HIS A 1 439 ? -14.353 -8.609 -35.351 1.00 16.20 ? 462 HIS A CA 1 ATOM 3177 C C . HIS A 1 439 ? -15.467 -9.240 -34.528 1.00 18.66 ? 462 HIS A C 1 ATOM 3178 O O . HIS A 1 439 ? -15.671 -10.452 -34.550 1.00 21.22 ? 462 HIS A O 1 ATOM 3179 C CB . HIS A 1 439 ? -14.882 -7.709 -36.475 1.00 15.90 ? 462 HIS A CB 1 ATOM 3180 C CG . HIS A 1 439 ? -15.553 -8.478 -37.552 1.00 21.38 ? 462 HIS A CG 1 ATOM 3181 N ND1 . HIS A 1 439 ? -16.901 -8.766 -37.526 1.00 23.78 ? 462 HIS A ND1 1 ATOM 3182 C CD2 . HIS A 1 439 ? -15.050 -9.112 -38.633 1.00 18.14 ? 462 HIS A CD2 1 ATOM 3183 C CE1 . HIS A 1 439 ? -17.207 -9.507 -38.580 1.00 16.45 ? 462 HIS A CE1 1 ATOM 3184 N NE2 . HIS A 1 439 ? -16.104 -9.727 -39.266 1.00 17.37 ? 462 HIS A NE2 1 ATOM 3185 N N . GLY A 1 440 ? -16.197 -8.396 -33.802 1.00 20.64 ? 463 GLY A N 1 ATOM 3186 C CA . GLY A 1 440 ? -17.238 -8.871 -32.910 1.00 21.45 ? 463 GLY A CA 1 ATOM 3187 C C . GLY A 1 440 ? -17.261 -8.085 -31.612 1.00 22.22 ? 463 GLY A C 1 ATOM 3188 O O . GLY A 1 440 ? -18.298 -8.009 -30.939 1.00 16.66 ? 463 GLY A O 1 ATOM 3189 N N . TYR A 1 441 ? -16.131 -7.444 -31.303 1.00 17.32 ? 464 TYR A N 1 ATOM 3190 C CA . TYR A 1 441 ? -15.903 -6.795 -30.023 1.00 20.57 ? 464 TYR A CA 1 ATOM 3191 C C . TYR A 1 441 ? -16.865 -5.637 -29.786 1.00 17.85 ? 464 TYR A C 1 ATOM 3192 O O . TYR A 1 441 ? -17.531 -5.160 -30.689 1.00 17.43 ? 464 TYR A O 1 ATOM 3193 C CB . TYR A 1 441 ? -14.486 -6.219 -29.961 1.00 13.84 ? 464 TYR A CB 1 ATOM 3194 C CG . TYR A 1 441 ? -13.385 -7.217 -30.193 1.00 17.04 ? 464 TYR A CG 1 ATOM 3195 C CD1 . TYR A 1 441 ? -12.893 -7.997 -29.155 1.00 19.45 ? 464 TYR A CD1 1 ATOM 3196 C CD2 . TYR A 1 441 ? -12.816 -7.367 -31.444 1.00 20.06 ? 464 TYR A CD2 1 ATOM 3197 C CE1 . TYR A 1 441 ? -11.885 -8.909 -29.371 1.00 21.49 ? 464 TYR A CE1 1 ATOM 3198 C CE2 . TYR A 1 441 ? -11.796 -8.279 -31.663 1.00 17.97 ? 464 TYR A CE2 1 ATOM 3199 C CZ . TYR A 1 441 ? -11.323 -9.048 -30.631 1.00 22.47 ? 464 TYR A CZ 1 ATOM 3200 O OH . TYR A 1 441 ? -10.285 -9.963 -30.840 1.00 22.50 ? 464 TYR A OH 1 ATOM 3201 N N . ASP A 1 442 ? -16.829 -5.146 -28.537 1.00 18.80 ? 465 ASP A N 1 ATOM 3202 C CA . ASP A 1 442 ? -17.417 -3.880 -28.116 1.00 19.15 ? 465 ASP A CA 1 ATOM 3203 C C . ASP A 1 442 ? -17.312 -2.819 -29.214 1.00 19.71 ? 465 ASP A C 1 ATOM 3204 O O . ASP A 1 442 ? -16.233 -2.589 -29.759 1.00 17.56 ? 465 ASP A O 1 ATOM 3205 C CB . ASP A 1 442 ? -16.690 -3.400 -26.871 1.00 14.44 ? 465 ASP A CB 1 ATOM 3206 C CG . ASP A 1 442 ? -17.375 -2.218 -26.194 1.00 18.31 ? 465 ASP A CG 1 ATOM 3207 O OD1 . ASP A 1 442 ? -18.072 -1.412 -26.827 1.00 20.84 ? 465 ASP A OD1 1 ATOM 3208 O OD2 . ASP A 1 442 ? -17.229 -2.105 -24.976 1.00 29.30 ? 465 ASP A OD2 1 ATOM 3209 N N . ASN A 1 443 ? -18.439 -2.169 -29.528 1.00 19.60 ? 466 ASN A N 1 ATOM 3210 C CA . ASN A 1 443 ? -18.439 -1.199 -30.622 1.00 15.67 ? 466 ASN A CA 1 ATOM 3211 C C . ASN A 1 443 ? -17.729 0.088 -30.256 1.00 16.34 ? 466 ASN A C 1 ATOM 3212 O O . ASN A 1 443 ? -17.514 0.927 -31.140 1.00 18.50 ? 466 ASN A O 1 ATOM 3213 C CB . ASN A 1 443 ? -19.873 -0.903 -31.088 1.00 15.16 ? 466 ASN A CB 1 ATOM 3214 C CG . ASN A 1 443 ? -20.785 -0.376 -29.957 1.00 15.91 ? 466 ASN A CG 1 ATOM 3215 O OD1 . ASN A 1 443 ? -20.462 -0.493 -28.780 1.00 18.39 ? 466 ASN A OD1 1 ATOM 3216 N ND2 . ASN A 1 443 ? -21.938 0.199 -30.338 1.00 13.97 ? 466 ASN A ND2 1 ATOM 3217 N N . GLU A 1 444 ? -17.316 0.247 -28.996 1.00 13.45 ? 467 GLU A N 1 ATOM 3218 C CA . GLU A 1 444 ? -16.480 1.386 -28.644 1.00 17.86 ? 467 GLU A CA 1 ATOM 3219 C C . GLU A 1 444 ? -15.045 1.225 -29.130 1.00 19.72 ? 467 GLU A C 1 ATOM 3220 O O . GLU A 1 444 ? -14.331 2.234 -29.232 1.00 18.05 ? 467 GLU A O 1 ATOM 3221 C CB . GLU A 1 444 ? -16.459 1.603 -27.133 1.00 21.93 ? 467 GLU A CB 1 ATOM 3222 C CG . GLU A 1 444 ? -17.671 2.345 -26.609 1.00 19.33 ? 467 GLU A CG 1 ATOM 3223 C CD . GLU A 1 444 ? -17.580 2.591 -25.113 1.00 21.43 ? 467 GLU A CD 1 ATOM 3224 O OE1 . GLU A 1 444 ? -18.518 3.205 -24.566 1.00 18.79 ? 467 GLU A OE1 1 ATOM 3225 O OE2 . GLU A 1 444 ? -16.585 2.163 -24.490 1.00 24.45 ? 467 GLU A OE2 1 ATOM 3226 N N . PHE A 1 445 ? -14.566 -0.005 -29.356 1.00 13.26 ? 468 PHE A N 1 ATOM 3227 C CA . PHE A 1 445 ? -13.147 -0.139 -29.713 1.00 14.61 ? 468 PHE A CA 1 ATOM 3228 C C . PHE A 1 445 ? -12.900 0.533 -31.055 1.00 19.18 ? 468 PHE A C 1 ATOM 3229 O O . PHE A 1 445 ? -13.718 0.431 -31.975 1.00 19.33 ? 468 PHE A O 1 ATOM 3230 C CB . PHE A 1 445 ? -12.699 -1.605 -29.799 1.00 14.55 ? 468 PHE A CB 1 ATOM 3231 C CG . PHE A 1 445 ? -12.758 -2.350 -28.482 1.00 24.20 ? 468 PHE A CG 1 ATOM 3232 C CD1 . PHE A 1 445 ? -12.725 -1.675 -27.285 1.00 37.03 ? 468 PHE A CD1 1 ATOM 3233 C CD2 . PHE A 1 445 ? -12.836 -3.730 -28.449 1.00 26.69 ? 468 PHE A CD2 1 ATOM 3234 C CE1 . PHE A 1 445 ? -12.773 -2.368 -26.068 1.00 36.69 ? 468 PHE A CE1 1 ATOM 3235 C CE2 . PHE A 1 445 ? -12.882 -4.427 -27.235 1.00 27.80 ? 468 PHE A CE2 1 ATOM 3236 C CZ . PHE A 1 445 ? -12.851 -3.733 -26.053 1.00 26.43 ? 468 PHE A CZ 1 ATOM 3237 N N . LYS A 1 446 ? -11.764 1.223 -31.155 1.00 17.25 ? 469 LYS A N 1 ATOM 3238 C CA . LYS A 1 446 ? -11.453 1.962 -32.372 1.00 27.00 ? 469 LYS A CA 1 ATOM 3239 C C . LYS A 1 446 ? -11.358 1.043 -33.587 1.00 23.19 ? 469 LYS A C 1 ATOM 3240 O O . LYS A 1 446 ? -11.805 1.411 -34.680 1.00 20.66 ? 469 LYS A O 1 ATOM 3241 C CB . LYS A 1 446 ? -10.148 2.735 -32.192 1.00 23.76 ? 469 LYS A CB 1 ATOM 3242 C CG . LYS A 1 446 ? -9.753 3.498 -33.430 1.00 23.38 ? 469 LYS A CG 1 ATOM 3243 C CD . LYS A 1 446 ? -8.465 4.281 -33.165 1.00 35.54 ? 469 LYS A CD 1 ATOM 3244 C CE . LYS A 1 446 ? -8.050 5.002 -34.412 1.00 47.01 ? 469 LYS A CE 1 ATOM 3245 N NZ . LYS A 1 446 ? -7.291 6.261 -34.202 1.00 54.00 ? 469 LYS A NZ 1 ATOM 3246 N N . SER A 1 447 ? -10.779 -0.152 -33.420 1.00 17.76 ? 470 SER A N 1 ATOM 3247 C CA . SER A 1 447 ? -10.687 -1.125 -34.510 1.00 18.78 ? 470 SER A CA 1 ATOM 3248 C C . SER A 1 447 ? -12.045 -1.600 -35.010 1.00 19.73 ? 470 SER A C 1 ATOM 3249 O O . SER A 1 447 ? -12.134 -2.076 -36.148 1.00 21.31 ? 470 SER A O 1 ATOM 3250 C CB . SER A 1 447 ? -9.856 -2.350 -34.067 1.00 23.95 ? 470 SER A CB 1 ATOM 3251 O OG . SER A 1 447 ? -10.448 -2.970 -32.924 1.00 20.07 ? 470 SER A OG 1 ATOM 3252 N N . MET A 1 448 ? -13.094 -1.492 -34.200 1.00 16.82 ? 471 MET A N 1 ATOM 3253 C CA . MET A 1 448 ? -14.422 -1.914 -34.600 1.00 16.32 ? 471 MET A CA 1 ATOM 3254 C C . MET A 1 448 ? -15.186 -0.813 -35.331 1.00 20.04 ? 471 MET A C 1 ATOM 3255 O O . MET A 1 448 ? -16.260 -1.089 -35.876 1.00 21.14 ? 471 MET A O 1 ATOM 3256 C CB . MET A 1 448 ? -15.225 -2.371 -33.361 1.00 15.96 ? 471 MET A CB 1 ATOM 3257 C CG . MET A 1 448 ? -14.731 -3.705 -32.762 1.00 17.31 ? 471 MET A CG 1 ATOM 3258 S SD . MET A 1 448 ? -14.669 -5.078 -34.037 1.00 17.04 ? 471 MET A SD 1 ATOM 3259 C CE . MET A 1 448 ? -12.987 -5.080 -34.531 1.00 17.79 ? 471 MET A CE 1 ATOM 3260 N N . GLU A 1 449 ? -14.675 0.420 -35.343 1.00 18.59 ? 472 GLU A N 1 ATOM 3261 C CA . GLU A 1 449 ? -15.370 1.523 -36.015 1.00 17.41 ? 472 GLU A CA 1 ATOM 3262 C C . GLU A 1 449 ? -15.362 1.351 -37.526 1.00 23.60 ? 472 GLU A C 1 ATOM 3263 O O . GLU A 1 449 ? -14.441 0.773 -38.115 1.00 17.67 ? 472 GLU A O 1 ATOM 3264 C CB . GLU A 1 449 ? -14.747 2.869 -35.643 1.00 19.10 ? 472 GLU A CB 1 ATOM 3265 C CG . GLU A 1 449 ? -14.840 3.135 -34.119 1.00 19.07 ? 472 GLU A CG 1 ATOM 3266 C CD . GLU A 1 449 ? -13.932 4.266 -33.664 1.00 27.17 ? 472 GLU A CD 1 ATOM 3267 O OE1 . GLU A 1 449 ? -14.028 4.623 -32.469 1.00 27.88 ? 472 GLU A OE1 1 ATOM 3268 O OE2 . GLU A 1 449 ? -13.139 4.774 -34.483 1.00 20.60 ? 472 GLU A OE2 1 ATOM 3269 N N . ALA A 1 450 ? -16.408 1.877 -38.158 1.00 17.53 ? 473 ALA A N 1 ATOM 3270 C CA . ALA A 1 450 ? -16.643 1.680 -39.579 1.00 20.56 ? 473 ALA A CA 1 ATOM 3271 C C . ALA A 1 450 ? -16.506 3.022 -40.293 1.00 20.27 ? 473 ALA A C 1 ATOM 3272 O O . ALA A 1 450 ? -16.512 4.075 -39.660 1.00 19.15 ? 473 ALA A O 1 ATOM 3273 C CB . ALA A 1 450 ? -18.040 1.054 -39.801 1.00 16.08 ? 473 ALA A CB 1 ATOM 3274 N N . ILE A 1 451 ? -16.340 2.990 -41.625 1.00 21.73 ? 474 ILE A N 1 ATOM 3275 C CA . ILE A 1 451 ? -16.319 4.237 -42.399 1.00 19.72 ? 474 ILE A CA 1 ATOM 3276 C C . ILE A 1 451 ? -17.745 4.699 -42.678 1.00 20.77 ? 474 ILE A C 1 ATOM 3277 O O . ILE A 1 451 ? -18.702 3.920 -42.638 1.00 18.74 ? 474 ILE A O 1 ATOM 3278 C CB . ILE A 1 451 ? -15.544 4.092 -43.730 1.00 20.30 ? 474 ILE A CB 1 ATOM 3279 C CG1 . ILE A 1 451 ? -16.069 2.891 -44.513 1.00 21.68 ? 474 ILE A CG1 1 ATOM 3280 C CG2 . ILE A 1 451 ? -14.039 4.029 -43.489 1.00 19.13 ? 474 ILE A CG2 1 ATOM 3281 C CD1 . ILE A 1 451 ? -15.824 2.958 -46.035 1.00 19.74 ? 474 ILE A CD1 1 ATOM 3282 N N . PHE A 1 452 ? -17.873 5.993 -42.998 1.00 21.41 ? 475 PHE A N 1 ATOM 3283 C CA . PHE A 1 452 ? -19.117 6.563 -43.522 1.00 23.11 ? 475 PHE A CA 1 ATOM 3284 C C . PHE A 1 452 ? -18.716 7.739 -44.395 1.00 23.23 ? 475 PHE A C 1 ATOM 3285 O O . PHE A 1 452 ? -18.155 8.718 -43.887 1.00 19.68 ? 475 PHE A O 1 ATOM 3286 C CB . PHE A 1 452 ? -20.096 7.021 -42.433 1.00 22.92 ? 475 PHE A CB 1 ATOM 3287 C CG . PHE A 1 452 ? -21.364 7.711 -42.996 1.00 24.24 ? 475 PHE A CG 1 ATOM 3288 C CD1 . PHE A 1 452 ? -21.334 9.051 -43.418 1.00 24.18 ? 475 PHE A CD1 1 ATOM 3289 C CD2 . PHE A 1 452 ? -22.557 7.016 -43.124 1.00 26.42 ? 475 PHE A CD2 1 ATOM 3290 C CE1 . PHE A 1 452 ? -22.465 9.692 -43.949 1.00 25.43 ? 475 PHE A CE1 1 ATOM 3291 C CE2 . PHE A 1 452 ? -23.720 7.658 -43.654 1.00 31.29 ? 475 PHE A CE2 1 ATOM 3292 C CZ . PHE A 1 452 ? -23.668 8.989 -44.070 1.00 22.16 ? 475 PHE A CZ 1 ATOM 3293 N N . LEU A 1 453 ? -18.998 7.629 -45.692 1.00 20.76 ? 476 LEU A N 1 ATOM 3294 C CA . LEU A 1 453 ? -18.785 8.696 -46.667 1.00 21.89 ? 476 LEU A CA 1 ATOM 3295 C C . LEU A 1 453 ? -20.066 8.853 -47.472 1.00 32.27 ? 476 LEU A C 1 ATOM 3296 O O . LEU A 1 453 ? -20.738 7.862 -47.764 1.00 24.04 ? 476 LEU A O 1 ATOM 3297 C CB . LEU A 1 453 ? -17.634 8.384 -47.631 1.00 22.59 ? 476 LEU A CB 1 ATOM 3298 C CG . LEU A 1 453 ? -16.276 8.176 -46.993 1.00 31.56 ? 476 LEU A CG 1 ATOM 3299 C CD1 . LEU A 1 453 ? -15.939 6.677 -46.892 1.00 26.38 ? 476 LEU A CD1 1 ATOM 3300 C CD2 . LEU A 1 453 ? -15.262 8.881 -47.823 1.00 31.79 ? 476 LEU A CD2 1 ATOM 3301 N N . ALA A 1 454 ? -20.383 10.090 -47.849 1.00 27.63 ? 477 ALA A N 1 ATOM 3302 C CA . ALA A 1 454 ? -21.595 10.348 -48.602 1.00 31.29 ? 477 ALA A CA 1 ATOM 3303 C C . ALA A 1 454 ? -21.311 11.403 -49.651 1.00 33.63 ? 477 ALA A C 1 ATOM 3304 O O . ALA A 1 454 ? -20.468 12.286 -49.466 1.00 25.44 ? 477 ALA A O 1 ATOM 3305 C CB . ALA A 1 454 ? -22.736 10.799 -47.687 1.00 37.05 ? 477 ALA A CB 1 ATOM 3306 N N . HIS A 1 455 ? -22.023 11.314 -50.770 1.00 31.02 ? 478 HIS A N 1 ATOM 3307 C CA . HIS A 1 455 ? -21.850 12.265 -51.862 1.00 27.61 ? 478 HIS A CA 1 ATOM 3308 C C . HIS A 1 455 ? -23.089 12.331 -52.748 1.00 35.35 ? 478 HIS A C 1 ATOM 3309 O O . HIS A 1 455 ? -23.674 11.303 -53.093 1.00 34.79 ? 478 HIS A O 1 ATOM 3310 C CB . HIS A 1 455 ? -20.623 11.899 -52.701 1.00 28.18 ? 478 HIS A CB 1 ATOM 3311 C CG . HIS A 1 455 ? -20.535 12.641 -53.998 1.00 39.11 ? 478 HIS A CG 1 ATOM 3312 N ND1 . HIS A 1 455 ? -21.161 12.209 -55.147 1.00 36.25 ? 478 HIS A ND1 1 ATOM 3313 C CD2 . HIS A 1 455 ? -19.895 13.788 -54.327 1.00 39.50 ? 478 HIS A CD2 1 ATOM 3314 C CE1 . HIS A 1 455 ? -20.910 13.057 -56.128 1.00 46.13 ? 478 HIS A CE1 1 ATOM 3315 N NE2 . HIS A 1 455 ? -20.144 14.024 -55.657 1.00 41.30 ? 478 HIS A NE2 1 ATOM 3316 N N . GLY A 1 456 ? -23.484 13.546 -53.113 1.00 37.39 ? 479 GLY A N 1 ATOM 3317 C CA . GLY A 1 456 ? -24.636 13.749 -53.949 1.00 35.86 ? 479 GLY A CA 1 ATOM 3318 C C . GLY A 1 456 ? -25.348 15.017 -53.573 1.00 36.78 ? 479 GLY A C 1 ATOM 3319 O O . GLY A 1 456 ? -25.006 15.687 -52.588 1.00 37.31 ? 479 GLY A O 1 ATOM 3320 N N . PRO A 1 457 ? -26.377 15.364 -54.341 1.00 34.33 ? 480 PRO A N 1 ATOM 3321 C CA . PRO A 1 457 ? -27.018 16.679 -54.148 1.00 37.39 ? 480 PRO A CA 1 ATOM 3322 C C . PRO A 1 457 ? -27.719 16.830 -52.810 1.00 37.75 ? 480 PRO A C 1 ATOM 3323 O O . PRO A 1 457 ? -27.895 17.959 -52.336 1.00 41.80 ? 480 PRO A O 1 ATOM 3324 C CB . PRO A 1 457 ? -28.019 16.793 -55.317 1.00 38.22 ? 480 PRO A CB 1 ATOM 3325 C CG . PRO A 1 457 ? -28.098 15.380 -55.869 1.00 42.32 ? 480 PRO A CG 1 ATOM 3326 C CD . PRO A 1 457 ? -26.794 14.733 -55.589 1.00 42.10 ? 480 PRO A CD 1 ATOM 3327 N N . GLY A 1 458 ? -28.129 15.730 -52.179 1.00 38.39 ? 481 GLY A N 1 ATOM 3328 C CA . GLY A 1 458 ? -28.704 15.814 -50.847 1.00 31.21 ? 481 GLY A CA 1 ATOM 3329 C C . GLY A 1 458 ? -27.696 16.123 -49.753 1.00 37.40 ? 481 GLY A C 1 ATOM 3330 O O . GLY A 1 458 ? -28.097 16.499 -48.649 1.00 30.30 ? 481 GLY A O 1 ATOM 3331 N N . PHE A 1 459 ? -26.401 15.986 -50.036 1.00 32.64 ? 482 PHE A N 1 ATOM 3332 C CA . PHE A 1 459 ? -25.355 16.086 -49.019 1.00 37.59 ? 482 PHE A CA 1 ATOM 3333 C C . PHE A 1 459 ? -24.541 17.361 -49.183 1.00 34.13 ? 482 PHE A C 1 ATOM 3334 O O . PHE A 1 459 ? -24.290 17.812 -50.300 1.00 34.57 ? 482 PHE A O 1 ATOM 3335 C CB . PHE A 1 459 ? -24.413 14.892 -49.086 1.00 27.35 ? 482 PHE A CB 1 ATOM 3336 C CG . PHE A 1 459 ? -25.019 13.643 -48.573 1.00 29.06 ? 482 PHE A CG 1 ATOM 3337 C CD1 . PHE A 1 459 ? -25.243 13.474 -47.214 1.00 26.09 ? 482 PHE A CD1 1 ATOM 3338 C CD2 . PHE A 1 459 ? -25.399 12.643 -49.434 1.00 30.72 ? 482 PHE A CD2 1 ATOM 3339 C CE1 . PHE A 1 459 ? -25.823 12.324 -46.736 1.00 33.77 ? 482 PHE A CE1 1 ATOM 3340 C CE2 . PHE A 1 459 ? -25.994 11.469 -48.938 1.00 32.51 ? 482 PHE A CE2 1 ATOM 3341 C CZ . PHE A 1 459 ? -26.189 11.320 -47.596 1.00 27.94 ? 482 PHE A CZ 1 ATOM 3342 N N . LYS A 1 460 ? -24.123 17.926 -48.056 1.00 34.84 ? 483 LYS A N 1 ATOM 3343 C CA . LYS A 1 460 ? -23.157 19.016 -48.092 1.00 36.29 ? 483 LYS A CA 1 ATOM 3344 C C . LYS A 1 460 ? -21.871 18.602 -48.815 1.00 34.52 ? 483 LYS A C 1 ATOM 3345 O O . LYS A 1 460 ? -21.538 17.415 -48.920 1.00 33.88 ? 483 LYS A O 1 ATOM 3346 C CB . LYS A 1 460 ? -22.846 19.463 -46.670 1.00 39.16 ? 483 LYS A CB 1 ATOM 3347 C CG . LYS A 1 460 ? -24.005 20.201 -46.027 1.00 41.68 ? 483 LYS A CG 1 ATOM 3348 C CD . LYS A 1 460 ? -23.696 20.588 -44.592 1.00 42.18 ? 483 LYS A CD 1 ATOM 3349 C CE . LYS A 1 460 ? -24.898 21.259 -43.942 1.00 45.15 ? 483 LYS A CE 1 ATOM 3350 N NZ . LYS A 1 460 ? -24.663 21.468 -42.482 1.00 44.63 ? 483 LYS A NZ 1 ATOM 3351 N N . GLU A 1 461 ? -21.143 19.617 -49.271 1.00 41.57 ? 484 GLU A N 1 ATOM 3352 C CA . GLU A 1 461 ? -19.876 19.429 -49.960 1.00 41.31 ? 484 GLU A CA 1 ATOM 3353 C C . GLU A 1 461 ? -18.704 19.763 -49.036 1.00 37.22 ? 484 GLU A C 1 ATOM 3354 O O . GLU A 1 461 ? -18.824 20.576 -48.120 1.00 31.25 ? 484 GLU A O 1 ATOM 3355 C CB . GLU A 1 461 ? -19.818 20.295 -51.220 1.00 49.01 ? 484 GLU A CB 1 ATOM 3356 C CG . GLU A 1 461 ? -20.995 20.101 -52.162 1.00 61.11 ? 484 GLU A CG 1 ATOM 3357 C CD . GLU A 1 461 ? -20.971 18.752 -52.853 1.00 72.84 ? 484 GLU A CD 1 ATOM 3358 O OE1 . GLU A 1 461 ? -19.880 18.320 -53.280 1.00 77.76 ? 484 GLU A OE1 1 ATOM 3359 O OE2 . GLU A 1 461 ? -22.044 18.123 -52.970 1.00 72.91 ? 484 GLU A OE2 1 ATOM 3360 N N . LYS A 1 462 ? -17.576 19.117 -49.299 1.00 33.84 ? 485 LYS A N 1 ATOM 3361 C CA . LYS A 1 462 ? -16.334 19.282 -48.540 1.00 36.96 ? 485 LYS A CA 1 ATOM 3362 C C . LYS A 1 462 ? -16.639 19.447 -47.069 1.00 36.85 ? 485 LYS A C 1 ATOM 3363 O O . LYS A 1 462 ? -16.238 20.376 -46.431 1.00 40.56 ? 485 LYS A O 1 ATOM 3364 C CB . LYS A 1 462 ? -15.509 20.487 -49.030 1.00 37.51 ? 485 LYS A CB 1 ATOM 3365 C CG . LYS A 1 462 ? -15.505 20.741 -50.509 1.00 52.97 ? 485 LYS A CG 1 ATOM 3366 C CD . LYS A 1 462 ? -14.981 22.150 -50.834 1.00 59.68 ? 485 LYS A CD 1 ATOM 3367 C CE . LYS A 1 462 ? -14.903 22.440 -52.324 1.00 61.13 ? 485 LYS A CE 1 ATOM 3368 N NZ . LYS A 1 462 ? -14.519 23.865 -52.550 1.00 64.36 ? 485 LYS A NZ 1 ATOM 3369 N N . THR A 1 463 ? -17.374 18.514 -46.535 1.00 31.69 ? 486 THR A N 1 ATOM 3370 C CA . THR A 1 463 ? -17.813 18.628 -45.150 1.00 33.92 ? 486 THR A CA 1 ATOM 3371 C C . THR A 1 463 ? -17.414 17.380 -44.366 1.00 32.76 ? 486 THR A C 1 ATOM 3372 O O . THR A 1 463 ? -17.668 16.252 -44.814 1.00 32.72 ? 486 THR A O 1 ATOM 3373 C CB . THR A 1 463 ? -19.335 18.865 -45.102 1.00 36.19 ? 486 THR A CB 1 ATOM 3374 O OG1 . THR A 1 463 ? -19.622 20.171 -45.620 1.00 39.88 ? 486 THR A OG1 1 ATOM 3375 C CG2 . THR A 1 463 ? -19.888 18.743 -43.668 1.00 32.07 ? 486 THR A CG2 1 ATOM 3376 N N . GLU A 1 464 ? -16.865 17.587 -43.171 1.00 27.71 ? 487 GLU A N 1 ATOM 3377 C CA . GLU A 1 464 ? -16.489 16.497 -42.274 1.00 25.64 ? 487 GLU A CA 1 ATOM 3378 C C . GLU A 1 464 ? -17.327 16.625 -40.996 1.00 25.81 ? 487 GLU A C 1 ATOM 3379 O O . GLU A 1 464 ? -17.328 17.678 -40.359 1.00 28.87 ? 487 GLU A O 1 ATOM 3380 C CB . GLU A 1 464 ? -14.998 16.558 -41.942 1.00 28.24 ? 487 GLU A CB 1 ATOM 3381 C CG . GLU A 1 464 ? -14.427 15.255 -41.407 1.00 26.85 ? 487 GLU A CG 1 ATOM 3382 C CD . GLU A 1 464 ? -13.335 15.476 -40.380 1.00 31.90 ? 487 GLU A CD 1 ATOM 3383 O OE1 . GLU A 1 464 ? -12.217 14.955 -40.577 1.00 29.65 ? 487 GLU A OE1 1 ATOM 3384 O OE2 . GLU A 1 464 ? -13.594 16.170 -39.374 1.00 32.11 ? 487 GLU A OE2 1 ATOM 3385 N N . VAL A 1 465 ? -18.043 15.564 -40.624 1.00 24.97 ? 488 VAL A N 1 ATOM 3386 C CA . VAL A 1 465 ? -18.889 15.598 -39.440 1.00 26.53 ? 488 VAL A CA 1 ATOM 3387 C C . VAL A 1 465 ? -18.268 14.690 -38.391 1.00 26.11 ? 488 VAL A C 1 ATOM 3388 O O . VAL A 1 465 ? -17.422 13.846 -38.700 1.00 23.76 ? 488 VAL A O 1 ATOM 3389 C CB . VAL A 1 465 ? -20.344 15.183 -39.747 1.00 25.53 ? 488 VAL A CB 1 ATOM 3390 C CG1 . VAL A 1 465 ? -20.933 16.137 -40.808 1.00 24.98 ? 488 VAL A CG1 1 ATOM 3391 C CG2 . VAL A 1 465 ? -20.391 13.728 -40.225 1.00 24.93 ? 488 VAL A CG2 1 ATOM 3392 N N . THR A 1 466 ? -18.659 14.909 -37.132 1.00 24.91 ? 489 THR A N 1 ATOM 3393 C CA . THR A 1 466 ? -18.213 14.039 -36.047 1.00 26.28 ? 489 THR A CA 1 ATOM 3394 C C . THR A 1 466 ? -18.850 12.661 -36.190 1.00 25.14 ? 489 THR A C 1 ATOM 3395 O O . THR A 1 466 ? -19.815 12.470 -36.925 1.00 19.47 ? 489 THR A O 1 ATOM 3396 C CB . THR A 1 466 ? -18.592 14.595 -34.675 1.00 24.48 ? 489 THR A CB 1 ATOM 3397 O OG1 . THR A 1 466 ? -19.979 14.924 -34.700 1.00 32.65 ? 489 THR A OG1 1 ATOM 3398 C CG2 . THR A 1 466 ? -17.794 15.838 -34.341 1.00 31.77 ? 489 THR A CG2 1 ATOM 3399 N N . SER A 1 467 ? -18.279 11.697 -35.470 1.00 20.41 ? 490 SER A N 1 ATOM 3400 C CA . SER A 1 467 ? -18.754 10.328 -35.531 1.00 23.18 ? 490 SER A CA 1 ATOM 3401 C C . SER A 1 467 ? -20.218 10.246 -35.105 1.00 17.28 ? 490 SER A C 1 ATOM 3402 O O . SER A 1 467 ? -20.717 11.088 -34.357 1.00 18.96 ? 490 SER A O 1 ATOM 3403 C CB . SER A 1 467 ? -17.891 9.447 -34.632 1.00 24.00 ? 490 SER A CB 1 ATOM 3404 O OG . SER A 1 467 ? -17.862 9.967 -33.303 1.00 24.23 ? 490 SER A OG 1 ATOM 3405 N N . PHE A 1 468 ? -20.915 9.239 -35.622 1.00 15.67 ? 491 PHE A N 1 ATOM 3406 C CA . PHE A 1 468 ? -22.299 8.991 -35.252 1.00 15.38 ? 491 PHE A CA 1 ATOM 3407 C C . PHE A 1 468 ? -22.555 7.498 -35.394 1.00 16.80 ? 491 PHE A C 1 ATOM 3408 O O . PHE A 1 468 ? -21.722 6.752 -35.913 1.00 18.35 ? 491 PHE A O 1 ATOM 3409 C CB . PHE A 1 468 ? -23.259 9.853 -36.111 1.00 15.99 ? 491 PHE A CB 1 ATOM 3410 C CG . PHE A 1 468 ? -23.222 9.524 -37.595 1.00 22.61 ? 491 PHE A CG 1 ATOM 3411 C CD1 . PHE A 1 468 ? -23.960 8.453 -38.102 1.00 19.47 ? 491 PHE A CD1 1 ATOM 3412 C CD2 . PHE A 1 468 ? -22.479 10.298 -38.490 1.00 22.66 ? 491 PHE A CD2 1 ATOM 3413 C CE1 . PHE A 1 468 ? -23.950 8.143 -39.452 1.00 16.87 ? 491 PHE A CE1 1 ATOM 3414 C CE2 . PHE A 1 468 ? -22.459 9.979 -39.879 1.00 24.29 ? 491 PHE A CE2 1 ATOM 3415 C CZ . PHE A 1 468 ? -23.204 8.906 -40.349 1.00 23.28 ? 491 PHE A CZ 1 ATOM 3416 N N . GLU A 1 469 ? -23.721 7.057 -34.925 1.00 17.18 ? 492 GLU A N 1 ATOM 3417 C CA . GLU A 1 469 ? -24.005 5.628 -34.859 1.00 20.36 ? 492 GLU A CA 1 ATOM 3418 C C . GLU A 1 469 ? -24.750 5.151 -36.096 1.00 16.80 ? 492 GLU A C 1 ATOM 3419 O O . GLU A 1 469 ? -25.553 5.884 -36.687 1.00 17.77 ? 492 GLU A O 1 ATOM 3420 C CB . GLU A 1 469 ? -24.799 5.305 -33.594 1.00 14.68 ? 492 GLU A CB 1 ATOM 3421 C CG . GLU A 1 469 ? -24.038 5.708 -32.335 1.00 18.86 ? 492 GLU A CG 1 ATOM 3422 C CD . GLU A 1 469 ? -24.626 5.117 -31.058 1.00 22.96 ? 492 GLU A CD 1 ATOM 3423 O OE1 . GLU A 1 469 ? -25.890 5.020 -30.969 1.00 20.53 ? 492 GLU A OE1 1 ATOM 3424 O OE2 . GLU A 1 469 ? -23.820 4.738 -30.160 1.00 20.57 ? 492 GLU A OE2 1 ATOM 3425 N N . ASN A 1 470 ? -24.458 3.908 -36.502 1.00 20.54 ? 493 ASN A N 1 ATOM 3426 C CA . ASN A 1 470 ? -25.098 3.374 -37.695 1.00 17.81 ? 493 ASN A CA 1 ATOM 3427 C C . ASN A 1 470 ? -26.622 3.223 -37.528 1.00 21.25 ? 493 ASN A C 1 ATOM 3428 O O . ASN A 1 470 ? -27.317 3.116 -38.541 1.00 17.25 ? 493 ASN A O 1 ATOM 3429 C CB . ASN A 1 470 ? -24.430 2.043 -38.130 1.00 18.36 ? 493 ASN A CB 1 ATOM 3430 C CG . ASN A 1 470 ? -24.724 0.880 -37.175 1.00 16.77 ? 493 ASN A CG 1 ATOM 3431 O OD1 . ASN A 1 470 ? -25.315 1.058 -36.130 1.00 16.52 ? 493 ASN A OD1 1 ATOM 3432 N ND2 . ASN A 1 470 ? -24.314 -0.324 -37.559 1.00 19.03 ? 493 ASN A ND2 1 ATOM 3433 N N . ILE A 1 471 ? -27.167 3.269 -36.298 1.00 15.11 ? 494 ILE A N 1 ATOM 3434 C CA . ILE A 1 471 ? -28.624 3.252 -36.142 1.00 15.46 ? 494 ILE A CA 1 ATOM 3435 C C . ILE A 1 471 ? -29.290 4.494 -36.736 1.00 19.81 ? 494 ILE A C 1 ATOM 3436 O O . ILE A 1 471 ? -30.499 4.487 -36.988 1.00 16.73 ? 494 ILE A O 1 ATOM 3437 C CB . ILE A 1 471 ? -29.065 3.127 -34.661 1.00 16.92 ? 494 ILE A CB 1 ATOM 3438 C CG1 . ILE A 1 471 ? -28.459 4.266 -33.782 1.00 15.74 ? 494 ILE A CG1 1 ATOM 3439 C CG2 . ILE A 1 471 ? -28.758 1.733 -34.123 1.00 14.85 ? 494 ILE A CG2 1 ATOM 3440 C CD1 . ILE A 1 471 ? -28.955 4.228 -32.334 1.00 15.74 ? 494 ILE A CD1 1 ATOM 3441 N N . GLU A 1 472 ? -28.539 5.583 -36.888 1.00 16.23 ? 495 GLU A N 1 ATOM 3442 C CA . GLU A 1 472 ? -29.063 6.845 -37.407 1.00 16.67 ? 495 GLU A CA 1 ATOM 3443 C C . GLU A 1 472 ? -29.305 6.804 -38.905 1.00 17.45 ? 495 GLU A C 1 ATOM 3444 O O . GLU A 1 472 ? -30.035 7.660 -39.418 1.00 20.31 ? 495 GLU A O 1 ATOM 3445 C CB . GLU A 1 472 ? -28.068 7.978 -37.113 1.00 16.54 ? 495 GLU A CB 1 ATOM 3446 C CG . GLU A 1 472 ? -27.767 8.310 -35.650 1.00 22.44 ? 495 GLU A CG 1 ATOM 3447 C CD . GLU A 1 472 ? -29.016 8.427 -34.783 1.00 22.51 ? 495 GLU A CD 1 ATOM 3448 O OE1 . GLU A 1 472 ? -29.016 7.910 -33.653 1.00 21.46 ? 495 GLU A OE1 1 ATOM 3449 O OE2 . GLU A 1 472 ? -30.020 8.987 -35.265 1.00 23.83 ? 495 GLU A OE2 1 ATOM 3450 N N . VAL A 1 473 ? -28.699 5.842 -39.618 1.00 18.63 ? 496 VAL A N 1 ATOM 3451 C CA . VAL A 1 473 ? -28.621 5.884 -41.085 1.00 21.88 ? 496 VAL A CA 1 ATOM 3452 C C . VAL A 1 473 ? -29.987 5.607 -41.725 1.00 22.38 ? 496 VAL A C 1 ATOM 3453 O O . VAL A 1 473 ? -30.314 6.171 -42.780 1.00 20.25 ? 496 VAL A O 1 ATOM 3454 C CB . VAL A 1 473 ? -27.537 4.895 -41.582 1.00 17.81 ? 496 VAL A CB 1 ATOM 3455 C CG1 . VAL A 1 473 ? -27.496 4.842 -43.134 1.00 20.33 ? 496 VAL A CG1 1 ATOM 3456 C CG2 . VAL A 1 473 ? -26.158 5.275 -40.994 1.00 17.21 ? 496 VAL A CG2 1 ATOM 3457 N N . TYR A 1 474 ? -30.813 4.779 -41.090 1.00 18.77 ? 497 TYR A N 1 ATOM 3458 C CA . TYR A 1 474 ? -32.128 4.458 -41.658 1.00 19.70 ? 497 TYR A CA 1 ATOM 3459 C C . TYR A 1 474 ? -33.004 5.712 -41.809 1.00 20.55 ? 497 TYR A C 1 ATOM 3460 O O . TYR A 1 474 ? -33.549 5.981 -42.894 1.00 21.64 ? 497 TYR A O 1 ATOM 3461 C CB . TYR A 1 474 ? -32.809 3.389 -40.789 1.00 19.42 ? 497 TYR A CB 1 ATOM 3462 C CG . TYR A 1 474 ? -34.255 3.165 -41.113 1.00 20.46 ? 497 TYR A CG 1 ATOM 3463 C CD1 . TYR A 1 474 ? -34.619 2.412 -42.234 1.00 24.33 ? 497 TYR A CD1 1 ATOM 3464 C CD2 . TYR A 1 474 ? -35.264 3.680 -40.303 1.00 20.73 ? 497 TYR A CD2 1 ATOM 3465 C CE1 . TYR A 1 474 ? -35.935 2.186 -42.553 1.00 22.40 ? 497 TYR A CE1 1 ATOM 3466 C CE2 . TYR A 1 474 ? -36.635 3.450 -40.629 1.00 26.36 ? 497 TYR A CE2 1 ATOM 3467 C CZ . TYR A 1 474 ? -36.938 2.692 -41.759 1.00 22.72 ? 497 TYR A CZ 1 ATOM 3468 O OH . TYR A 1 474 ? -38.223 2.415 -42.132 1.00 23.99 ? 497 TYR A OH 1 ATOM 3469 N N . ASN A 1 475 ? -33.145 6.500 -40.739 1.00 22.95 ? 498 ASN A N 1 ATOM 3470 C CA . ASN A 1 475 ? -33.863 7.778 -40.847 1.00 21.88 ? 498 ASN A CA 1 ATOM 3471 C C . ASN A 1 475 ? -33.286 8.652 -41.960 1.00 21.73 ? 498 ASN A C 1 ATOM 3472 O O . ASN A 1 475 ? -34.032 9.316 -42.701 1.00 23.03 ? 498 ASN A O 1 ATOM 3473 C CB . ASN A 1 475 ? -33.796 8.543 -39.528 1.00 22.55 ? 498 ASN A CB 1 ATOM 3474 C CG . ASN A 1 475 ? -34.733 8.002 -38.492 1.00 22.56 ? 498 ASN A CG 1 ATOM 3475 O OD1 . ASN A 1 475 ? -35.724 7.369 -38.826 1.00 20.98 ? 498 ASN A OD1 1 ATOM 3476 N ND2 . ASN A 1 475 ? -34.441 8.274 -37.214 1.00 19.56 ? 498 ASN A ND2 1 ATOM 3477 N N . LEU A 1 476 ? -31.955 8.698 -42.054 1.00 21.91 ? 499 LEU A N 1 ATOM 3478 C CA . LEU A 1 476 ? -31.270 9.504 -43.070 1.00 24.53 ? 499 LEU A CA 1 ATOM 3479 C C . LEU A 1 476 ? -31.693 9.082 -44.469 1.00 22.75 ? 499 LEU A C 1 ATOM 3480 O O . LEU A 1 476 ? -32.058 9.918 -45.307 1.00 24.49 ? 499 LEU A O 1 ATOM 3481 C CB . LEU A 1 476 ? -29.747 9.365 -42.910 1.00 23.53 ? 499 LEU A CB 1 ATOM 3482 C CG . LEU A 1 476 ? -28.899 10.071 -43.984 1.00 29.23 ? 499 LEU A CG 1 ATOM 3483 C CD1 . LEU A 1 476 ? -29.076 11.558 -43.878 1.00 26.45 ? 499 LEU A CD1 1 ATOM 3484 C CD2 . LEU A 1 476 ? -27.381 9.741 -43.881 1.00 20.80 ? 499 LEU A CD2 1 ATOM 3485 N N . MET A 1 477 ? -31.675 7.781 -44.723 1.00 22.40 ? 500 MET A N 1 ATOM 3486 C CA . MET A 1 477 ? -32.043 7.266 -46.036 1.00 30.73 ? 500 MET A CA 1 ATOM 3487 C C . MET A 1 477 ? -33.496 7.582 -46.362 1.00 26.05 ? 500 MET A C 1 ATOM 3488 O O . MET A 1 477 ? -33.808 7.968 -47.491 1.00 28.31 ? 500 MET A O 1 ATOM 3489 C CB . MET A 1 477 ? -31.785 5.759 -46.071 1.00 27.74 ? 500 MET A CB 1 ATOM 3490 C CG . MET A 1 477 ? -30.275 5.471 -45.936 1.00 27.04 ? 500 MET A CG 1 ATOM 3491 S SD . MET A 1 477 ? -29.825 3.775 -46.334 1.00 25.83 ? 500 MET A SD 1 ATOM 3492 C CE . MET A 1 477 ? -30.548 2.868 -44.943 1.00 20.71 ? 500 MET A CE 1 ATOM 3493 N N . CYS A 1 478 ? -34.389 7.424 -45.379 1.00 24.43 ? 501 CYS A N 1 ATOM 3494 C CA . CYS A 1 478 ? -35.795 7.788 -45.563 1.00 32.02 ? 501 CYS A CA 1 ATOM 3495 C C . CYS A 1 478 ? -35.928 9.254 -45.961 1.00 26.76 ? 501 CYS A C 1 ATOM 3496 O O . CYS A 1 478 ? -36.681 9.596 -46.878 1.00 28.29 ? 501 CYS A O 1 ATOM 3497 C CB . CYS A 1 478 ? -36.581 7.508 -44.288 1.00 25.35 ? 501 CYS A CB 1 ATOM 3498 S SG . CYS A 1 478 ? -36.793 5.741 -43.945 1.00 26.30 ? 501 CYS A SG 1 ATOM 3499 N N . ASP A 1 479 ? -35.198 10.131 -45.266 1.00 26.05 ? 502 ASP A N 1 ATOM 3500 C CA . ASP A 1 479 ? -35.182 11.546 -45.616 1.00 29.31 ? 502 ASP A CA 1 ATOM 3501 C C . ASP A 1 479 ? -34.742 11.739 -47.059 1.00 28.29 ? 502 ASP A C 1 ATOM 3502 O O . ASP A 1 479 ? -35.395 12.449 -47.830 1.00 34.26 ? 502 ASP A O 1 ATOM 3503 C CB . ASP A 1 479 ? -34.264 12.296 -44.654 1.00 30.50 ? 502 ASP A CB 1 ATOM 3504 C CG . ASP A 1 479 ? -34.847 12.391 -43.255 1.00 29.74 ? 502 ASP A CG 1 ATOM 3505 O OD1 . ASP A 1 479 ? -36.034 12.044 -43.059 1.00 25.93 ? 502 ASP A OD1 1 ATOM 3506 O OD2 . ASP A 1 479 ? -34.114 12.818 -42.353 1.00 32.65 ? 502 ASP A OD2 1 ATOM 3507 N N . LEU A 1 480 ? -33.660 11.069 -47.460 1.00 27.33 ? 503 LEU A N 1 ATOM 3508 C CA . LEU A 1 480 ? -33.170 11.211 -48.828 1.00 33.57 ? 503 LEU A CA 1 ATOM 3509 C C . LEU A 1 480 ? -34.146 10.639 -49.852 1.00 36.88 ? 503 LEU A C 1 ATOM 3510 O O . LEU A 1 480 ? -34.095 11.023 -51.021 1.00 31.80 ? 503 LEU A O 1 ATOM 3511 C CB . LEU A 1 480 ? -31.804 10.538 -48.979 1.00 27.24 ? 503 LEU A CB 1 ATOM 3512 C CG . LEU A 1 480 ? -30.628 11.171 -48.208 1.00 30.57 ? 503 LEU A CG 1 ATOM 3513 C CD1 . LEU A 1 480 ? -29.418 10.228 -48.159 1.00 25.12 ? 503 LEU A CD1 1 ATOM 3514 C CD2 . LEU A 1 480 ? -30.250 12.498 -48.874 1.00 30.87 ? 503 LEU A CD2 1 ATOM 3515 N N . LEU A 1 481 ? -35.007 9.710 -49.454 1.00 29.84 ? 504 LEU A N 1 ATOM 3516 C CA . LEU A 1 481 ? -36.019 9.192 -50.359 1.00 31.84 ? 504 LEU A CA 1 ATOM 3517 C C . LEU A 1 481 ? -37.386 9.782 -50.072 1.00 35.46 ? 504 LEU A C 1 ATOM 3518 O O . LEU A 1 481 ? -38.377 9.316 -50.636 1.00 35.59 ? 504 LEU A O 1 ATOM 3519 C CB . LEU A 1 481 ? -36.075 7.666 -50.275 1.00 33.06 ? 504 LEU A CB 1 ATOM 3520 C CG . LEU A 1 481 ? -34.856 6.953 -50.847 1.00 29.39 ? 504 LEU A CG 1 ATOM 3521 C CD1 . LEU A 1 481 ? -34.828 5.547 -50.361 1.00 30.54 ? 504 LEU A CD1 1 ATOM 3522 C CD2 . LEU A 1 481 ? -34.902 6.989 -52.367 1.00 32.61 ? 504 LEU A CD2 1 ATOM 3523 N N . LYS A 1 482 ? -37.456 10.789 -49.199 1.00 32.57 ? 505 LYS A N 1 ATOM 3524 C CA . LYS A 1 482 ? -38.715 11.419 -48.826 1.00 33.95 ? 505 LYS A CA 1 ATOM 3525 C C . LYS A 1 482 ? -39.741 10.379 -48.388 1.00 38.31 ? 505 LYS A C 1 ATOM 3526 O O . LYS A 1 482 ? -40.912 10.427 -48.763 1.00 35.38 ? 505 LYS A O 1 ATOM 3527 C CB . LYS A 1 482 ? -39.239 12.293 -49.977 1.00 41.28 ? 505 LYS A CB 1 ATOM 3528 C CG . LYS A 1 482 ? -38.108 13.072 -50.627 1.00 42.45 ? 505 LYS A CG 1 ATOM 3529 C CD . LYS A 1 482 ? -38.596 13.981 -51.716 1.00 55.52 ? 505 LYS A CD 1 ATOM 3530 C CE . LYS A 1 482 ? -39.208 15.241 -51.135 1.00 60.43 ? 505 LYS A CE 1 ATOM 3531 N NZ . LYS A 1 482 ? -38.505 16.457 -51.622 1.00 62.66 ? 505 LYS A NZ 1 ATOM 3532 N N . LEU A 1 483 ? -39.291 9.432 -47.569 1.00 35.11 ? 506 LEU A N 1 ATOM 3533 C CA . LEU A 1 483 ? -40.126 8.380 -47.020 1.00 30.98 ? 506 LEU A CA 1 ATOM 3534 C C . LEU A 1 483 ? -40.389 8.663 -45.551 1.00 30.09 ? 506 LEU A C 1 ATOM 3535 O O . LEU A 1 483 ? -39.546 9.223 -44.848 1.00 31.26 ? 506 LEU A O 1 ATOM 3536 C CB . LEU A 1 483 ? -39.445 7.003 -47.149 1.00 29.90 ? 506 LEU A CB 1 ATOM 3537 C CG . LEU A 1 483 ? -39.096 6.474 -48.531 1.00 30.62 ? 506 LEU A CG 1 ATOM 3538 C CD1 . LEU A 1 483 ? -38.223 5.245 -48.471 1.00 29.35 ? 506 LEU A CD1 1 ATOM 3539 C CD2 . LEU A 1 483 ? -40.383 6.201 -49.311 1.00 32.52 ? 506 LEU A CD2 1 ATOM 3540 N N . LYS A 1 484 ? -41.510 8.231 -45.086 1.00 30.67 ? 507 LYS A N 1 ATOM 3541 C CA . LYS A 1 484 ? -41.751 8.265 -43.651 1.00 29.77 ? 507 LYS A CA 1 ATOM 3542 C C . LYS A 1 484 ? -41.159 7.026 -42.983 1.00 28.23 ? 507 LYS A C 1 ATOM 3543 O O . LYS A 1 484 ? -41.481 5.902 -43.378 1.00 31.10 ? 507 LYS A O 1 ATOM 3544 C CB . LYS A 1 484 ? -43.236 8.336 -43.366 1.00 37.78 ? 507 LYS A CB 1 ATOM 3545 C CG . LYS A 1 484 ? -43.465 8.437 -41.875 1.00 40.68 ? 507 LYS A CG 1 ATOM 3546 C CD . LYS A 1 484 ? -44.731 7.746 -41.481 1.00 43.33 ? 507 LYS A CD 1 ATOM 3547 C CE . LYS A 1 484 ? -45.663 8.708 -40.824 1.00 49.52 ? 507 LYS A CE 1 ATOM 3548 N NZ . LYS A 1 484 ? -46.670 7.944 -40.048 1.00 59.42 ? 507 LYS A NZ 1 ATOM 3549 N N . PRO A 1 485 ? -40.302 7.180 -41.985 1.00 27.62 ? 508 PRO A N 1 ATOM 3550 C CA . PRO A 1 485 ? -39.646 5.999 -41.398 1.00 29.88 ? 508 PRO A CA 1 ATOM 3551 C C . PRO A 1 485 ? -40.578 5.179 -40.515 1.00 28.43 ? 508 PRO A C 1 ATOM 3552 O O . PRO A 1 485 ? -41.423 5.710 -39.795 1.00 25.99 ? 508 PRO A O 1 ATOM 3553 C CB . PRO A 1 485 ? -38.488 6.601 -40.587 1.00 29.09 ? 508 PRO A CB 1 ATOM 3554 C CG . PRO A 1 485 ? -38.917 8.015 -40.311 1.00 38.07 ? 508 PRO A CG 1 ATOM 3555 C CD . PRO A 1 485 ? -39.783 8.452 -41.448 1.00 26.27 ? 508 PRO A CD 1 ATOM 3556 N N . ALA A 1 486 ? -40.444 3.853 -40.611 1.00 26.47 ? 509 ALA A N 1 ATOM 3557 C CA . ALA A 1 486 ? -41.022 2.986 -39.590 1.00 26.00 ? 509 ALA A CA 1 ATOM 3558 C C . ALA A 1 486 ? -40.365 3.295 -38.245 1.00 25.16 ? 509 ALA A C 1 ATOM 3559 O O . ALA A 1 486 ? -39.238 3.811 -38.210 1.00 24.06 ? 509 ALA A O 1 ATOM 3560 C CB . ALA A 1 486 ? -40.830 1.523 -39.972 1.00 27.03 ? 509 ALA A CB 1 ATOM 3561 N N . PRO A 1 487 ? -41.037 2.992 -37.127 1.00 23.77 ? 510 PRO A N 1 ATOM 3562 C CA . PRO A 1 487 ? -40.448 3.305 -35.813 1.00 23.93 ? 510 PRO A CA 1 ATOM 3563 C C . PRO A 1 487 ? -39.085 2.630 -35.632 1.00 26.15 ? 510 PRO A C 1 ATOM 3564 O O . PRO A 1 487 ? -38.917 1.446 -35.938 1.00 21.30 ? 510 PRO A O 1 ATOM 3565 C CB . PRO A 1 487 ? -41.493 2.775 -34.813 1.00 23.16 ? 510 PRO A CB 1 ATOM 3566 C CG . PRO A 1 487 ? -42.829 2.721 -35.630 1.00 25.02 ? 510 PRO A CG 1 ATOM 3567 C CD . PRO A 1 487 ? -42.340 2.302 -37.006 1.00 24.98 ? 510 PRO A CD 1 ATOM 3568 N N . ASN A 1 488 ? -38.097 3.396 -35.163 1.00 20.34 ? 511 ASN A N 1 ATOM 3569 C CA . ASN A 1 488 ? -36.731 2.872 -35.070 1.00 20.94 ? 511 ASN A CA 1 ATOM 3570 C C . ASN A 1 488 ? -35.982 3.577 -33.936 1.00 23.67 ? 511 ASN A C 1 ATOM 3571 O O . ASN A 1 488 ? -36.552 4.396 -33.210 1.00 24.88 ? 511 ASN A O 1 ATOM 3572 C CB . ASN A 1 488 ? -36.010 2.970 -36.432 1.00 19.29 ? 511 ASN A CB 1 ATOM 3573 C CG . ASN A 1 488 ? -35.651 4.416 -36.834 1.00 19.34 ? 511 ASN A CG 1 ATOM 3574 O OD1 . ASN A 1 488 ? -34.526 4.872 -36.593 1.00 20.64 ? 511 ASN A OD1 1 ATOM 3575 N ND2 . ASN A 1 488 ? -36.588 5.116 -37.457 1.00 25.69 ? 511 ASN A ND2 1 ATOM 3576 N N . ASN A 1 489 ? -34.692 3.233 -33.766 1.00 20.03 ? 512 ASN A N 1 ATOM 3577 C CA . ASN A 1 489 ? -33.910 3.722 -32.626 1.00 16.78 ? 512 ASN A CA 1 ATOM 3578 C C . ASN A 1 489 ? -33.028 4.889 -32.980 1.00 16.39 ? 512 ASN A C 1 ATOM 3579 O O . ASN A 1 489 ? -32.400 5.455 -32.081 1.00 21.69 ? 512 ASN A O 1 ATOM 3580 C CB . ASN A 1 489 ? -33.054 2.595 -32.029 1.00 16.04 ? 512 ASN A CB 1 ATOM 3581 C CG . ASN A 1 489 ? -33.926 1.467 -31.610 1.00 19.10 ? 512 ASN A CG 1 ATOM 3582 O OD1 . ASN A 1 489 ? -33.819 0.330 -32.089 1.00 19.46 ? 512 ASN A OD1 1 ATOM 3583 N ND2 . ASN A 1 489 ? -34.874 1.793 -30.771 1.00 18.43 ? 512 ASN A ND2 1 ATOM 3584 N N . GLY A 1 490 ? -32.925 5.221 -34.262 1.00 17.04 ? 513 GLY A N 1 ATOM 3585 C CA . GLY A 1 490 ? -32.321 6.478 -34.644 1.00 17.74 ? 513 GLY A CA 1 ATOM 3586 C C . GLY A 1 490 ? -33.061 7.658 -34.040 1.00 18.36 ? 513 GLY A C 1 ATOM 3587 O O . GLY A 1 490 ? -34.193 7.551 -33.589 1.00 26.10 ? 513 GLY A O 1 ATOM 3588 N N . THR A 1 491 ? -32.383 8.800 -33.985 1.00 20.01 ? 514 THR A N 1 ATOM 3589 C CA . THR A 1 491 ? -32.988 10.028 -33.480 1.00 22.42 ? 514 THR A CA 1 ATOM 3590 C C . THR A 1 491 ? -33.189 10.960 -34.677 1.00 20.03 ? 514 THR A C 1 ATOM 3591 O O . THR A 1 491 ? -32.244 11.591 -35.162 1.00 23.14 ? 514 THR A O 1 ATOM 3592 C CB . THR A 1 491 ? -32.136 10.657 -32.381 1.00 26.98 ? 514 THR A CB 1 ATOM 3593 O OG1 . THR A 1 491 ? -32.092 9.765 -31.258 1.00 21.70 ? 514 THR A OG1 1 ATOM 3594 C CG2 . THR A 1 491 ? -32.757 11.967 -31.925 1.00 22.73 ? 514 THR A CG2 1 ATOM 3595 N N . HIS A 1 492 ? -34.431 11.017 -35.156 1.00 22.54 ? 515 HIS A N 1 ATOM 3596 C CA . HIS A 1 492 ? -34.741 11.647 -36.433 1.00 20.68 ? 515 HIS A CA 1 ATOM 3597 C C . HIS A 1 492 ? -34.458 13.146 -36.388 1.00 24.31 ? 515 HIS A C 1 ATOM 3598 O O . HIS A 1 492 ? -35.040 13.882 -35.583 1.00 21.53 ? 515 HIS A O 1 ATOM 3599 C CB . HIS A 1 492 ? -36.196 11.385 -36.803 1.00 23.72 ? 515 HIS A CB 1 ATOM 3600 C CG . HIS A 1 492 ? -36.459 11.503 -38.271 1.00 26.57 ? 515 HIS A CG 1 ATOM 3601 N ND1 . HIS A 1 492 ? -37.713 11.345 -38.815 1.00 23.96 ? 515 HIS A ND1 1 ATOM 3602 C CD2 . HIS A 1 492 ? -35.629 11.767 -39.310 1.00 22.91 ? 515 HIS A CD2 1 ATOM 3603 C CE1 . HIS A 1 492 ? -37.655 11.514 -40.122 1.00 25.21 ? 515 HIS A CE1 1 ATOM 3604 N NE2 . HIS A 1 492 ? -36.400 11.753 -40.451 1.00 24.19 ? 515 HIS A NE2 1 ATOM 3605 N N . GLY A 1 493 ? -33.554 13.591 -37.257 1.00 25.57 ? 516 GLY A N 1 ATOM 3606 C CA . GLY A 1 493 ? -33.100 14.962 -37.268 1.00 25.35 ? 516 GLY A CA 1 ATOM 3607 C C . GLY A 1 493 ? -31.692 15.132 -36.741 1.00 27.30 ? 516 GLY A C 1 ATOM 3608 O O . GLY A 1 493 ? -31.084 16.167 -36.986 1.00 24.33 ? 516 GLY A O 1 ATOM 3609 N N . SER A 1 494 ? -31.154 14.129 -36.033 1.00 21.80 ? 517 SER A N 1 ATOM 3610 C CA . SER A 1 494 ? -29.831 14.267 -35.444 1.00 24.71 ? 517 SER A CA 1 ATOM 3611 C C . SER A 1 494 ? -28.721 14.315 -36.489 1.00 23.15 ? 517 SER A C 1 ATOM 3612 O O . SER A 1 494 ? -27.602 14.708 -36.159 1.00 22.01 ? 517 SER A O 1 ATOM 3613 C CB . SER A 1 494 ? -29.578 13.121 -34.446 1.00 25.19 ? 517 SER A CB 1 ATOM 3614 O OG . SER A 1 494 ? -29.330 11.869 -35.087 1.00 26.49 ? 517 SER A OG 1 ATOM 3615 N N . LEU A 1 495 ? -29.001 13.943 -37.738 1.00 21.61 ? 518 LEU A N 1 ATOM 3616 C CA . LEU A 1 495 ? -28.017 13.976 -38.810 1.00 20.98 ? 518 LEU A CA 1 ATOM 3617 C C . LEU A 1 495 ? -28.296 15.090 -39.820 1.00 24.44 ? 518 LEU A C 1 ATOM 3618 O O . LEU A 1 495 ? -27.776 15.050 -40.932 1.00 23.34 ? 518 LEU A O 1 ATOM 3619 C CB . LEU A 1 495 ? -27.940 12.621 -39.532 1.00 25.04 ? 518 LEU A CB 1 ATOM 3620 C CG . LEU A 1 495 ? -27.466 11.363 -38.778 1.00 23.09 ? 518 LEU A CG 1 ATOM 3621 C CD1 . LEU A 1 495 ? -27.109 10.258 -39.780 1.00 20.82 ? 518 LEU A CD1 1 ATOM 3622 C CD2 . LEU A 1 495 ? -26.242 11.715 -37.898 1.00 18.84 ? 518 LEU A CD2 1 ATOM 3623 N N . ASN A 1 496 ? -29.133 16.072 -39.461 1.00 27.25 ? 519 ASN A N 1 ATOM 3624 C CA . ASN A 1 496 ? -29.507 17.117 -40.406 1.00 27.64 ? 519 ASN A CA 1 ATOM 3625 C C . ASN A 1 496 ? -28.322 17.983 -40.827 1.00 27.38 ? 519 ASN A C 1 ATOM 3626 O O . ASN A 1 496 ? -28.373 18.603 -41.890 1.00 26.08 ? 519 ASN A O 1 ATOM 3627 C CB . ASN A 1 496 ? -30.603 17.999 -39.808 1.00 30.37 ? 519 ASN A CB 1 ATOM 3628 C CG . ASN A 1 496 ? -31.998 17.362 -39.904 1.00 29.72 ? 519 ASN A CG 1 ATOM 3629 O OD1 . ASN A 1 496 ? -32.169 16.254 -40.427 1.00 27.16 ? 519 ASN A OD1 1 ATOM 3630 N ND2 . ASN A 1 496 ? -33.002 18.083 -39.409 1.00 30.06 ? 519 ASN A ND2 1 ATOM 3631 N N . HIS A 1 497 ? -27.259 18.035 -40.026 1.00 27.59 ? 520 HIS A N 1 ATOM 3632 C CA . HIS A 1 497 ? -26.069 18.787 -40.405 1.00 30.97 ? 520 HIS A CA 1 ATOM 3633 C C . HIS A 1 497 ? -25.290 18.149 -41.553 1.00 33.38 ? 520 HIS A C 1 ATOM 3634 O O . HIS A 1 497 ? -24.354 18.769 -42.045 1.00 38.59 ? 520 HIS A O 1 ATOM 3635 C CB . HIS A 1 497 ? -25.149 18.956 -39.195 1.00 23.27 ? 520 HIS A CB 1 ATOM 3636 C CG . HIS A 1 497 ? -24.751 17.667 -38.545 1.00 25.97 ? 520 HIS A CG 1 ATOM 3637 N ND1 . HIS A 1 497 ? -25.662 16.775 -38.017 1.00 26.65 ? 520 HIS A ND1 1 ATOM 3638 C CD2 . HIS A 1 497 ? -23.526 17.137 -38.306 1.00 30.17 ? 520 HIS A CD2 1 ATOM 3639 C CE1 . HIS A 1 497 ? -25.015 15.743 -37.498 1.00 32.45 ? 520 HIS A CE1 1 ATOM 3640 N NE2 . HIS A 1 497 ? -23.717 15.939 -37.658 1.00 25.37 ? 520 HIS A NE2 1 ATOM 3641 N N . LEU A 1 498 ? -25.622 16.918 -41.967 1.00 25.51 ? 521 LEU A N 1 ATOM 3642 C CA . LEU A 1 498 ? -24.996 16.337 -43.154 1.00 25.60 ? 521 LEU A CA 1 ATOM 3643 C C . LEU A 1 498 ? -25.687 16.751 -44.447 1.00 28.88 ? 521 LEU A C 1 ATOM 3644 O O . LEU A 1 498 ? -25.128 16.524 -45.525 1.00 27.87 ? 521 LEU A O 1 ATOM 3645 C CB . LEU A 1 498 ? -24.992 14.794 -43.093 1.00 31.27 ? 521 LEU A CB 1 ATOM 3646 C CG . LEU A 1 498 ? -24.064 13.993 -42.153 1.00 30.81 ? 521 LEU A CG 1 ATOM 3647 C CD1 . LEU A 1 498 ? -24.291 14.331 -40.677 1.00 25.66 ? 521 LEU A CD1 1 ATOM 3648 C CD2 . LEU A 1 498 ? -24.276 12.493 -42.352 1.00 28.98 ? 521 LEU A CD2 1 ATOM 3649 N N . LEU A 1 499 ? -26.903 17.299 -44.369 1.00 30.94 ? 522 LEU A N 1 ATOM 3650 C CA . LEU A 1 499 ? -27.783 17.432 -45.529 1.00 32.59 ? 522 LEU A CA 1 ATOM 3651 C C . LEU A 1 499 ? -27.878 18.876 -45.979 1.00 28.85 ? 522 LEU A C 1 ATOM 3652 O O . LEU A 1 499 ? -27.880 19.785 -45.148 1.00 28.98 ? 522 LEU A O 1 ATOM 3653 C CB . LEU A 1 499 ? -29.186 16.905 -45.217 1.00 35.63 ? 522 LEU A CB 1 ATOM 3654 C CG . LEU A 1 499 ? -29.281 15.427 -44.830 1.00 31.89 ? 522 LEU A CG 1 ATOM 3655 C CD1 . LEU A 1 499 ? -30.538 15.230 -43.990 1.00 32.37 ? 522 LEU A CD1 1 ATOM 3656 C CD2 . LEU A 1 499 ? -29.308 14.518 -46.083 1.00 28.71 ? 522 LEU A CD2 1 ATOM 3657 N N . LYS A 1 500 ? -28.008 19.068 -47.297 1.00 30.25 ? 523 LYS A N 1 ATOM 3658 C CA . LYS A 1 500 ? -28.141 20.408 -47.871 1.00 36.35 ? 523 LYS A CA 1 ATOM 3659 C C . LYS A 1 500 ? -29.475 21.061 -47.514 1.00 45.50 ? 523 LYS A C 1 ATOM 3660 O O . LYS A 1 500 ? -29.524 22.248 -47.166 1.00 49.43 ? 523 LYS A O 1 ATOM 3661 C CB . LYS A 1 500 ? -27.989 20.339 -49.387 1.00 39.15 ? 523 LYS A CB 1 ATOM 3662 C CG . LYS A 1 500 ? -26.613 20.696 -49.850 1.00 46.92 ? 523 LYS A CG 1 ATOM 3663 C CD . LYS A 1 500 ? -26.453 20.508 -51.327 1.00 53.80 ? 523 LYS A CD 1 ATOM 3664 C CE . LYS A 1 500 ? -24.991 20.608 -51.699 1.00 53.73 ? 523 LYS A CE 1 ATOM 3665 N NZ . LYS A 1 500 ? -24.594 19.472 -52.586 1.00 57.15 ? 523 LYS A NZ 1 ATOM 3666 N N . ASN A 1 501 ? -30.578 20.327 -47.652 1.00 41.08 ? 524 ASN A N 1 ATOM 3667 C CA . ASN A 1 501 ? -31.887 20.827 -47.232 1.00 42.69 ? 524 ASN A CA 1 ATOM 3668 C C . ASN A 1 501 ? -32.597 19.682 -46.539 1.00 37.64 ? 524 ASN A C 1 ATOM 3669 O O . ASN A 1 501 ? -33.239 18.841 -47.195 1.00 37.28 ? 524 ASN A O 1 ATOM 3670 C CB . ASN A 1 501 ? -32.723 21.376 -48.385 1.00 49.69 ? 524 ASN A CB 1 ATOM 3671 C CG . ASN A 1 501 ? -31.987 22.402 -49.205 1.00 59.32 ? 524 ASN A CG 1 ATOM 3672 O OD1 . ASN A 1 501 ? -31.382 22.074 -50.223 1.00 60.24 ? 524 ASN A OD1 1 ATOM 3673 N ND2 . ASN A 1 501 ? -31.999 23.654 -48.745 1.00 62.61 ? 524 ASN A ND2 1 ATOM 3674 N N . PRO A 1 502 ? -32.477 19.605 -45.217 1.00 41.34 ? 525 PRO A N 1 ATOM 3675 C CA . PRO A 1 502 ? -33.066 18.502 -44.461 1.00 38.06 ? 525 PRO A CA 1 ATOM 3676 C C . PRO A 1 502 ? -34.533 18.302 -44.785 1.00 36.08 ? 525 PRO A C 1 ATOM 3677 O O . PRO A 1 502 ? -35.323 19.249 -44.812 1.00 39.43 ? 525 PRO A O 1 ATOM 3678 C CB . PRO A 1 502 ? -32.874 18.940 -43.009 1.00 38.57 ? 525 PRO A CB 1 ATOM 3679 C CG . PRO A 1 502 ? -31.723 19.887 -43.039 1.00 31.87 ? 525 PRO A CG 1 ATOM 3680 C CD . PRO A 1 502 ? -31.854 20.610 -44.339 1.00 40.65 ? 525 PRO A CD 1 ATOM 3681 N N . PHE A 1 503 ? -34.890 17.049 -45.035 1.00 36.11 ? 526 PHE A N 1 ATOM 3682 C CA . PHE A 1 503 ? -36.262 16.729 -45.393 1.00 39.71 ? 526 PHE A CA 1 ATOM 3683 C C . PHE A 1 503 ? -37.155 16.648 -44.163 1.00 42.20 ? 526 PHE A C 1 ATOM 3684 O O . PHE A 1 503 ? -38.370 16.833 -44.269 1.00 37.21 ? 526 PHE A O 1 ATOM 3685 C CB . PHE A 1 503 ? -36.297 15.410 -46.165 1.00 36.28 ? 526 PHE A CB 1 ATOM 3686 C CG . PHE A 1 503 ? -37.688 14.885 -46.420 1.00 35.53 ? 526 PHE A CG 1 ATOM 3687 C CD1 . PHE A 1 503 ? -38.534 15.527 -47.297 1.00 38.69 ? 526 PHE A CD1 1 ATOM 3688 C CD2 . PHE A 1 503 ? -38.134 13.744 -45.787 1.00 33.99 ? 526 PHE A CD2 1 ATOM 3689 C CE1 . PHE A 1 503 ? -39.824 15.047 -47.517 1.00 42.31 ? 526 PHE A CE1 1 ATOM 3690 C CE2 . PHE A 1 503 ? -39.396 13.260 -46.000 1.00 32.82 ? 526 PHE A CE2 1 ATOM 3691 C CZ . PHE A 1 503 ? -40.243 13.903 -46.869 1.00 37.76 ? 526 PHE A CZ 1 ATOM 3692 N N . TYR A 1 504 ? -36.568 16.389 -42.997 1.00 34.97 ? 527 TYR A N 1 ATOM 3693 C CA . TYR A 1 504 ? -37.307 16.199 -41.760 1.00 32.73 ? 527 TYR A CA 1 ATOM 3694 C C . TYR A 1 504 ? -36.901 17.253 -40.751 1.00 35.95 ? 527 TYR A C 1 ATOM 3695 O O . TYR A 1 504 ? -35.706 17.438 -40.487 1.00 35.85 ? 527 TYR A O 1 ATOM 3696 C CB . TYR A 1 504 ? -37.051 14.815 -41.157 1.00 26.97 ? 527 TYR A CB 1 ATOM 3697 C CG . TYR A 1 504 ? -37.891 14.625 -39.930 1.00 26.64 ? 527 TYR A CG 1 ATOM 3698 C CD1 . TYR A 1 504 ? -39.272 14.405 -40.039 1.00 28.86 ? 527 TYR A CD1 1 ATOM 3699 C CD2 . TYR A 1 504 ? -37.331 14.708 -38.662 1.00 31.42 ? 527 TYR A CD2 1 ATOM 3700 C CE1 . TYR A 1 504 ? -40.052 14.260 -38.922 1.00 29.63 ? 527 TYR A CE1 1 ATOM 3701 C CE2 . TYR A 1 504 ? -38.111 14.553 -37.532 1.00 30.23 ? 527 TYR A CE2 1 ATOM 3702 C CZ . TYR A 1 504 ? -39.466 14.330 -37.671 1.00 32.05 ? 527 TYR A CZ 1 ATOM 3703 O OH . TYR A 1 504 ? -40.206 14.179 -36.529 1.00 39.86 ? 527 TYR A OH 1 ATOM 3704 N N . ASN A 1 505 ? -37.877 17.902 -40.138 1.00 34.83 ? 528 ASN A N 1 ATOM 3705 C CA . ASN A 1 505 ? -37.546 18.903 -39.128 1.00 29.18 ? 528 ASN A CA 1 ATOM 3706 C C . ASN A 1 505 ? -38.026 18.464 -37.750 1.00 30.07 ? 528 ASN A C 1 ATOM 3707 O O . ASN A 1 505 ? -39.244 18.341 -37.535 1.00 36.03 ? 528 ASN A O 1 ATOM 3708 C CB . ASN A 1 505 ? -38.153 20.247 -39.532 1.00 40.92 ? 528 ASN A CB 1 ATOM 3709 C CG . ASN A 1 505 ? -37.717 21.351 -38.636 1.00 47.38 ? 528 ASN A CG 1 ATOM 3710 O OD1 . ASN A 1 505 ? -36.522 21.636 -38.514 1.00 52.69 ? 528 ASN A OD1 1 ATOM 3711 N ND2 . ASN A 1 505 ? -38.676 21.992 -37.991 1.00 51.75 ? 528 ASN A ND2 1 ATOM 3712 N N . PRO A 1 506 ? -37.146 18.216 -36.780 1.00 34.57 ? 529 PRO A N 1 ATOM 3713 C CA . PRO A 1 506 ? -37.587 17.554 -35.548 1.00 32.71 ? 529 PRO A CA 1 ATOM 3714 C C . PRO A 1 506 ? -38.464 18.452 -34.692 1.00 32.03 ? 529 PRO A C 1 ATOM 3715 O O . PRO A 1 506 ? -38.356 19.683 -34.709 1.00 31.70 ? 529 PRO A O 1 ATOM 3716 C CB . PRO A 1 506 ? -36.263 17.215 -34.835 1.00 32.58 ? 529 PRO A CB 1 ATOM 3717 C CG . PRO A 1 506 ? -35.323 18.294 -35.323 1.00 25.84 ? 529 PRO A CG 1 ATOM 3718 C CD . PRO A 1 506 ? -35.705 18.520 -36.753 1.00 28.82 ? 529 PRO A CD 1 ATOM 3719 N N . SER A 1 507 ? -39.329 17.808 -33.924 1.00 34.85 ? 530 SER A N 1 ATOM 3720 C CA . SER A 1 507 ? -40.286 18.403 -33.014 1.00 41.05 ? 530 SER A CA 1 ATOM 3721 C C . SER A 1 507 ? -39.880 18.148 -31.564 1.00 34.04 ? 530 SER A C 1 ATOM 3722 O O . SER A 1 507 ? -39.473 17.037 -31.228 1.00 32.53 ? 530 SER A O 1 ATOM 3723 C CB . SER A 1 507 ? -41.681 17.808 -33.262 1.00 44.38 ? 530 SER A CB 1 ATOM 3724 O OG . SER A 1 507 ? -42.016 17.828 -34.646 1.00 49.86 ? 530 SER A OG 1 ATOM 3725 N N . PRO A 1 508 ? -39.965 19.143 -30.690 1.00 37.14 ? 531 PRO A N 1 ATOM 3726 C CA . PRO A 1 508 ? -39.723 18.885 -29.268 1.00 42.75 ? 531 PRO A CA 1 ATOM 3727 C C . PRO A 1 508 ? -40.783 17.953 -28.715 1.00 39.66 ? 531 PRO A C 1 ATOM 3728 O O . PRO A 1 508 ? -41.950 18.018 -29.096 1.00 40.91 ? 531 PRO A O 1 ATOM 3729 C CB . PRO A 1 508 ? -39.847 20.277 -28.624 1.00 37.98 ? 531 PRO A CB 1 ATOM 3730 C CG . PRO A 1 508 ? -39.950 21.220 -29.732 1.00 36.82 ? 531 PRO A CG 1 ATOM 3731 C CD . PRO A 1 508 ? -40.523 20.483 -30.889 1.00 35.70 ? 531 PRO A CD 1 ATOM 3732 N N . ALA A 1 509 ? -40.372 17.104 -27.781 1.00 40.63 ? 532 ALA A N 1 ATOM 3733 C CA . ALA A 1 509 ? -41.328 16.270 -27.061 1.00 44.21 ? 532 ALA A CA 1 ATOM 3734 C C . ALA A 1 509 ? -42.153 17.119 -26.096 1.00 47.33 ? 532 ALA A C 1 ATOM 3735 O O . ALA A 1 509 ? -41.611 17.961 -25.373 1.00 49.96 ? 532 ALA A O 1 ATOM 3736 C CB . ALA A 1 509 ? -40.595 15.170 -26.298 1.00 50.21 ? 532 ALA A CB 1 ATOM 3737 N N . LYS A 1 510 ? -43.462 16.911 -26.080 1.00 45.11 ? 533 LYS A N 1 ATOM 3738 C CA . LYS A 1 510 ? -44.305 17.629 -25.135 1.00 49.59 ? 533 LYS A CA 1 ATOM 3739 C C . LYS A 1 510 ? -44.309 16.892 -23.798 1.00 45.21 ? 533 LYS A C 1 ATOM 3740 O O . LYS A 1 510 ? -44.434 15.664 -23.758 1.00 43.37 ? 533 LYS A O 1 ATOM 3741 C CB . LYS A 1 510 ? -45.726 17.811 -25.678 1.00 53.95 ? 533 LYS A CB 1 ATOM 3742 C CG . LYS A 1 510 ? -46.604 16.569 -25.667 1.00 59.35 ? 533 LYS A CG 1 ATOM 3743 C CD . LYS A 1 510 ? -48.038 16.903 -26.069 1.00 62.49 ? 533 LYS A CD 1 ATOM 3744 C CE . LYS A 1 510 ? -48.163 17.088 -27.579 1.00 63.09 ? 533 LYS A CE 1 ATOM 3745 N NZ . LYS A 1 510 ? -49.472 17.697 -27.955 1.00 63.90 ? 533 LYS A NZ 1 ATOM 3746 N N . GLU A 1 511 ? -44.099 17.647 -22.716 1.00 42.48 ? 534 GLU A N 1 ATOM 3747 C CA . GLU A 1 511 ? -44.181 17.097 -21.372 1.00 39.29 ? 534 GLU A CA 1 ATOM 3748 C C . GLU A 1 511 ? -45.517 16.387 -21.192 1.00 33.52 ? 534 GLU A C 1 ATOM 3749 O O . GLU A 1 511 ? -46.552 16.879 -21.626 1.00 35.56 ? 534 GLU A O 1 ATOM 3750 C CB . GLU A 1 511 ? -44.026 18.222 -20.340 1.00 37.06 ? 534 GLU A CB 1 ATOM 3751 C CG . GLU A 1 511 ? -44.079 17.774 -18.881 1.00 33.98 ? 534 GLU A CG 1 ATOM 3752 C CD . GLU A 1 511 ? -43.397 18.764 -17.939 1.00 37.24 ? 534 GLU A CD 1 ATOM 3753 O OE1 . GLU A 1 511 ? -43.865 19.920 -17.826 1.00 40.34 ? 534 GLU A OE1 1 ATOM 3754 O OE2 . GLU A 1 511 ? -42.384 18.381 -17.308 1.00 33.82 ? 534 GLU A OE2 1 ATOM 3755 N N . GLN A 1 512 ? -45.484 15.199 -20.611 1.00 32.80 ? 535 GLN A N 1 ATOM 3756 C CA . GLN A 1 512 ? -46.726 14.519 -20.288 1.00 34.60 ? 535 GLN A CA 1 ATOM 3757 C C . GLN A 1 512 ? -47.169 14.772 -18.860 1.00 34.75 ? 535 GLN A C 1 ATOM 3758 O O . GLN A 1 512 ? -48.368 14.689 -18.573 1.00 31.58 ? 535 GLN A O 1 ATOM 3759 C CB . GLN A 1 512 ? -46.589 13.009 -20.508 1.00 41.48 ? 535 GLN A CB 1 ATOM 3760 C CG . GLN A 1 512 ? -46.282 12.595 -21.940 1.00 49.06 ? 535 GLN A CG 1 ATOM 3761 C CD . GLN A 1 512 ? -47.333 13.063 -22.916 1.00 61.18 ? 535 GLN A CD 1 ATOM 3762 O OE1 . GLN A 1 512 ? -47.075 13.942 -23.741 1.00 66.12 ? 535 GLN A OE1 1 ATOM 3763 N NE2 . GLN A 1 512 ? -48.532 12.486 -22.825 1.00 59.88 ? 535 GLN A NE2 1 ATOM 3764 N N . SER A 1 513 ? -46.235 15.078 -17.967 1.00 33.32 ? 536 SER A N 1 ATOM 3765 C CA . SER A 1 513 ? -46.530 15.255 -16.551 1.00 32.22 ? 536 SER A CA 1 ATOM 3766 C C . SER A 1 513 ? -45.994 16.595 -16.081 1.00 27.74 ? 536 SER A C 1 ATOM 3767 O O . SER A 1 513 ? -44.777 16.743 -15.890 1.00 27.59 ? 536 SER A O 1 ATOM 3768 C CB . SER A 1 513 ? -45.912 14.116 -15.751 1.00 33.10 ? 536 SER A CB 1 ATOM 3769 O OG . SER A 1 513 ? -46.535 12.882 -16.065 1.00 33.75 ? 536 SER A OG 1 ATOM 3770 N N . PRO A 1 514 ? -46.841 17.608 -15.905 1.00 32.36 ? 537 PRO A N 1 ATOM 3771 C CA . PRO A 1 514 ? -46.341 18.873 -15.340 1.00 32.07 ? 537 PRO A CA 1 ATOM 3772 C C . PRO A 1 514 ? -46.194 18.743 -13.836 1.00 38.23 ? 537 PRO A C 1 ATOM 3773 O O . PRO A 1 514 ? -46.724 17.792 -13.249 1.00 38.78 ? 537 PRO A O 1 ATOM 3774 C CB . PRO A 1 514 ? -47.409 19.906 -15.722 1.00 34.99 ? 537 PRO A CB 1 ATOM 3775 C CG . PRO A 1 514 ? -48.698 19.105 -15.730 1.00 36.83 ? 537 PRO A CG 1 ATOM 3776 C CD . PRO A 1 514 ? -48.280 17.683 -16.216 1.00 36.80 ? 537 PRO A CD 1 ATOM 3777 N N . PRO A 1 515 ? -45.441 19.626 -13.179 1.00 38.79 ? 538 PRO A N 1 ATOM 3778 C CA . PRO A 1 515 ? -45.218 19.458 -11.739 1.00 37.25 ? 538 PRO A CA 1 ATOM 3779 C C . PRO A 1 515 ? -46.492 19.670 -10.937 1.00 40.58 ? 538 PRO A C 1 ATOM 3780 O O . PRO A 1 515 ? -47.388 20.434 -11.316 1.00 39.16 ? 538 PRO A O 1 ATOM 3781 C CB . PRO A 1 515 ? -44.176 20.538 -11.403 1.00 35.21 ? 538 PRO A CB 1 ATOM 3782 C CG . PRO A 1 515 ? -43.548 20.889 -12.705 1.00 38.50 ? 538 PRO A CG 1 ATOM 3783 C CD . PRO A 1 515 ? -44.616 20.708 -13.741 1.00 39.94 ? 538 PRO A CD 1 ATOM 3784 N N . LEU A 1 516 ? -46.554 18.968 -9.809 1.00 42.64 ? 539 LEU A N 1 ATOM 3785 C CA . LEU A 1 516 ? -47.469 19.256 -8.715 1.00 34.58 ? 539 LEU A CA 1 ATOM 3786 C C . LEU A 1 516 ? -46.773 20.124 -7.671 1.00 41.26 ? 539 LEU A C 1 ATOM 3787 O O . LEU A 1 516 ? -45.593 20.470 -7.791 1.00 38.35 ? 539 LEU A O 1 ATOM 3788 C CB . LEU A 1 516 ? -47.955 17.957 -8.087 1.00 34.61 ? 539 LEU A CB 1 ATOM 3789 C CG . LEU A 1 516 ? -48.301 16.907 -9.115 1.00 38.77 ? 539 LEU A CG 1 ATOM 3790 C CD1 . LEU A 1 516 ? -48.592 15.586 -8.422 1.00 39.04 ? 539 LEU A CD1 1 ATOM 3791 C CD2 . LEU A 1 516 ? -49.492 17.380 -9.968 1.00 49.78 ? 539 LEU A CD2 1 ATOM 3792 N N . TYR A 1 517 ? -47.498 20.440 -6.608 1.00 43.67 ? 540 TYR A N 1 ATOM 3793 C CA . TYR A 1 517 ? -47.006 21.309 -5.546 1.00 46.62 ? 540 TYR A CA 1 ATOM 3794 C C . TYR A 1 517 ? -46.625 20.514 -4.316 1.00 44.87 ? 540 TYR A C 1 ATOM 3795 O O . TYR A 1 517 ? -47.424 19.717 -3.810 1.00 45.53 ? 540 TYR A O 1 ATOM 3796 C CB . TYR A 1 517 ? -48.061 22.313 -5.119 1.00 48.17 ? 540 TYR A CB 1 ATOM 3797 C CG . TYR A 1 517 ? -48.340 23.360 -6.132 1.00 57.93 ? 540 TYR A CG 1 ATOM 3798 C CD1 . TYR A 1 517 ? -47.515 23.526 -7.236 1.00 60.39 ? 540 TYR A CD1 1 ATOM 3799 C CD2 . TYR A 1 517 ? -49.435 24.198 -5.989 1.00 57.82 ? 540 TYR A CD2 1 ATOM 3800 C CE1 . TYR A 1 517 ? -47.781 24.500 -8.171 1.00 66.91 ? 540 TYR A CE1 1 ATOM 3801 C CE2 . TYR A 1 517 ? -49.702 25.175 -6.911 1.00 64.71 ? 540 TYR A CE2 1 ATOM 3802 C CZ . TYR A 1 517 ? -48.878 25.333 -7.997 1.00 71.48 ? 540 TYR A CZ 1 ATOM 3803 O OH . TYR A 1 517 ? -49.165 26.321 -8.917 1.00 75.44 ? 540 TYR A OH 1 ATOM 3804 N N . CYS A 1 518 ? -45.437 20.768 -3.808 1.00 34.54 ? 541 CYS A N 1 ATOM 3805 C CA . CYS A 1 518 ? -45.117 20.358 -2.459 1.00 39.91 ? 541 CYS A CA 1 ATOM 3806 C C . CYS A 1 518 ? -45.227 21.596 -1.576 1.00 44.91 ? 541 CYS A C 1 ATOM 3807 O O . CYS A 1 518 ? -44.595 22.621 -1.839 1.00 45.55 ? 541 CYS A O 1 ATOM 3808 C CB . CYS A 1 518 ? -43.757 19.679 -2.397 1.00 44.67 ? 541 CYS A CB 1 ATOM 3809 S SG . CYS A 1 518 ? -43.889 18.025 -3.121 1.00 51.59 ? 541 CYS A SG 1 ATOM 3810 N N . LEU A 1 519 ? -46.118 21.524 -0.606 1.00 45.49 ? 542 LEU A N 1 ATOM 3811 C CA . LEU A 1 519 ? -46.448 22.649 0.247 1.00 42.94 ? 542 LEU A CA 1 ATOM 3812 C C . LEU A 1 519 ? -45.555 22.607 1.471 1.00 40.75 ? 542 LEU A C 1 ATOM 3813 O O . LEU A 1 519 ? -45.330 21.540 2.052 1.00 40.64 ? 542 LEU A O 1 ATOM 3814 C CB . LEU A 1 519 ? -47.913 22.590 0.669 1.00 40.75 ? 542 LEU A CB 1 ATOM 3815 C CG . LEU A 1 519 ? -49.016 23.028 -0.292 1.00 40.98 ? 542 LEU A CG 1 ATOM 3816 C CD1 . LEU A 1 519 ? -48.769 22.599 -1.702 1.00 47.42 ? 542 LEU A CD1 1 ATOM 3817 C CD2 . LEU A 1 519 ? -50.336 22.451 0.162 1.00 48.44 ? 542 LEU A CD2 1 ATOM 3818 N N . PHE A 1 520 ? -45.022 23.761 1.837 1.00 36.25 ? 543 PHE A N 1 ATOM 3819 C CA . PHE A 1 520 ? -44.388 23.885 3.134 1.00 36.64 ? 543 PHE A CA 1 ATOM 3820 C C . PHE A 1 520 ? -45.407 23.567 4.228 1.00 38.01 ? 543 PHE A C 1 ATOM 3821 O O . PHE A 1 520 ? -46.603 23.817 4.078 1.00 39.05 ? 543 PHE A O 1 ATOM 3822 C CB . PHE A 1 520 ? -43.825 25.297 3.289 1.00 37.18 ? 543 PHE A CB 1 ATOM 3823 C CG . PHE A 1 520 ? -42.742 25.407 4.306 1.00 37.17 ? 543 PHE A CG 1 ATOM 3824 C CD1 . PHE A 1 520 ? -41.432 25.164 3.958 1.00 35.93 ? 543 PHE A CD1 1 ATOM 3825 C CD2 . PHE A 1 520 ? -43.032 25.757 5.617 1.00 38.53 ? 543 PHE A CD2 1 ATOM 3826 C CE1 . PHE A 1 520 ? -40.419 25.271 4.888 1.00 36.08 ? 543 PHE A CE1 1 ATOM 3827 C CE2 . PHE A 1 520 ? -42.018 25.879 6.555 1.00 38.66 ? 543 PHE A CE2 1 ATOM 3828 C CZ . PHE A 1 520 ? -40.697 25.629 6.181 1.00 37.43 ? 543 PHE A CZ 1 ATOM 3829 N N . GLY A 1 521 ? -44.931 23.002 5.330 1.00 38.12 ? 544 GLY A N 1 ATOM 3830 C CA . GLY A 1 521 ? -45.804 22.633 6.415 1.00 39.45 ? 544 GLY A CA 1 ATOM 3831 C C . GLY A 1 521 ? -45.070 22.491 7.726 1.00 39.86 ? 544 GLY A C 1 ATOM 3832 O O . GLY A 1 521 ? -43.865 22.729 7.810 1.00 39.15 ? 544 GLY A O 1 ATOM 3833 N N . PRO A 1 522 ? -45.778 22.089 8.775 1.00 41.12 ? 545 PRO A N 1 ATOM 3834 C CA . PRO A 1 522 ? -45.144 21.952 10.083 1.00 41.74 ? 545 PRO A CA 1 ATOM 3835 C C . PRO A 1 522 ? -44.326 20.675 10.183 1.00 40.75 ? 545 PRO A C 1 ATOM 3836 O O . PRO A 1 522 ? -44.542 19.695 9.471 1.00 39.92 ? 545 PRO A O 1 ATOM 3837 C CB . PRO A 1 522 ? -46.341 21.925 11.050 1.00 43.56 ? 545 PRO A CB 1 ATOM 3838 C CG . PRO A 1 522 ? -47.416 21.332 10.278 1.00 43.51 ? 545 PRO A CG 1 ATOM 3839 C CD . PRO A 1 522 ? -47.216 21.767 8.840 1.00 42.24 ? 545 PRO A CD 1 ATOM 3840 N N . VAL A 1 523 ? -43.349 20.711 11.076 1.00 40.96 ? 546 VAL A N 1 ATOM 3841 C CA . VAL A 1 523 ? -42.736 19.443 11.469 1.00 40.57 ? 546 VAL A CA 1 ATOM 3842 C C . VAL A 1 523 ? -43.804 18.589 12.140 1.00 43.10 ? 546 VAL A C 1 ATOM 3843 O O . VAL A 1 523 ? -44.546 19.100 13.001 1.00 43.26 ? 546 VAL A O 1 ATOM 3844 C CB . VAL A 1 523 ? -41.552 19.686 12.420 1.00 40.93 ? 546 VAL A CB 1 ATOM 3845 C CG1 . VAL A 1 523 ? -40.869 18.365 12.764 1.00 40.62 ? 546 VAL A CG1 1 ATOM 3846 C CG2 . VAL A 1 523 ? -40.559 20.633 11.794 1.00 40.05 ? 546 VAL A CG2 1 ATOM 3847 N N . PRO A 1 524 ? -43.959 17.313 11.782 1.00 41.21 ? 547 PRO A N 1 ATOM 3848 C CA . PRO A 1 524 ? -44.945 16.479 12.485 1.00 42.52 ? 547 PRO A CA 1 ATOM 3849 C C . PRO A 1 524 ? -44.608 16.358 13.969 1.00 43.89 ? 547 PRO A C 1 ATOM 3850 O O . PRO A 1 524 ? -43.439 16.321 14.359 1.00 43.55 ? 547 PRO A O 1 ATOM 3851 C CB . PRO A 1 524 ? -44.850 15.120 11.770 1.00 41.56 ? 547 PRO A CB 1 ATOM 3852 C CG . PRO A 1 524 ? -44.147 15.404 10.450 1.00 39.72 ? 547 PRO A CG 1 ATOM 3853 C CD . PRO A 1 524 ? -43.266 16.587 10.701 1.00 39.52 ? 547 PRO A CD 1 ATOM 3854 N N . SER A 1 525 ? -45.646 16.299 14.799 1.00 45.57 ? 548 SER A N 1 ATOM 3855 C CA . SER A 1 525 ? -45.479 16.079 16.233 1.00 47.23 ? 548 SER A CA 1 ATOM 3856 C C . SER A 1 525 ? -46.427 14.970 16.689 1.00 48.33 ? 548 SER A C 1 ATOM 3857 O O . SER A 1 525 ? -47.637 15.088 16.498 1.00 51.99 ? 548 SER A O 1 ATOM 3858 C CB . SER A 1 525 ? -45.745 17.368 17.030 1.00 50.30 ? 548 SER A CB 1 ATOM 3859 O OG . SER A 1 525 ? -45.440 17.198 18.407 1.00 49.84 ? 548 SER A OG 1 ATOM 3860 N N . PRO A 1 526 ? -45.878 13.882 17.270 1.00 50.09 ? 549 PRO A N 1 ATOM 3861 C CA . PRO A 1 526 ? -44.431 13.706 17.375 1.00 48.49 ? 549 PRO A CA 1 ATOM 3862 C C . PRO A 1 526 ? -43.814 13.282 16.047 1.00 45.76 ? 549 PRO A C 1 ATOM 3863 O O . PRO A 1 526 ? -44.501 12.867 15.123 1.00 45.11 ? 549 PRO A O 1 ATOM 3864 C CB . PRO A 1 526 ? -44.287 12.583 18.400 1.00 49.14 ? 549 PRO A CB 1 ATOM 3865 C CG . PRO A 1 526 ? -45.442 11.719 18.107 1.00 49.66 ? 549 PRO A CG 1 ATOM 3866 C CD . PRO A 1 526 ? -46.588 12.702 17.812 1.00 49.99 ? 549 PRO A CD 1 ATOM 3867 N N . ASP A 1 527 ? -42.504 13.405 15.972 1.00 45.37 ? 550 ASP A N 1 ATOM 3868 C CA . ASP A 1 527 ? -41.748 13.029 14.784 1.00 43.06 ? 550 ASP A CA 1 ATOM 3869 C C . ASP A 1 527 ? -41.391 11.555 14.916 1.00 43.12 ? 550 ASP A C 1 ATOM 3870 O O . ASP A 1 527 ? -40.568 11.182 15.757 1.00 43.82 ? 550 ASP A O 1 ATOM 3871 C CB . ASP A 1 527 ? -40.525 13.931 14.651 1.00 42.18 ? 550 ASP A CB 1 ATOM 3872 C CG . ASP A 1 527 ? -39.521 13.439 13.614 1.00 45.37 ? 550 ASP A CG 1 ATOM 3873 O OD1 . ASP A 1 527 ? -39.856 12.580 12.765 1.00 42.06 ? 550 ASP A OD1 1 ATOM 3874 O OD2 . ASP A 1 527 ? -38.371 13.932 13.666 1.00 41.44 ? 550 ASP A OD2 1 ATOM 3875 N N . VAL A 1 528 ? -42.050 10.715 14.127 1.00 42.64 ? 551 VAL A N 1 ATOM 3876 C CA . VAL A 1 528 ? -41.833 9.277 14.175 1.00 47.51 ? 551 VAL A CA 1 ATOM 3877 C C . VAL A 1 528 ? -40.976 8.803 13.003 1.00 48.26 ? 551 VAL A C 1 ATOM 3878 O O . VAL A 1 528 ? -41.051 7.637 12.614 1.00 49.62 ? 551 VAL A O 1 ATOM 3879 C CB . VAL A 1 528 ? -43.156 8.503 14.221 1.00 44.89 ? 551 VAL A CB 1 ATOM 3880 C CG1 . VAL A 1 528 ? -43.842 8.670 15.575 1.00 48.19 ? 551 VAL A CG1 1 ATOM 3881 C CG2 . VAL A 1 528 ? -44.037 8.944 13.077 1.00 46.22 ? 551 VAL A CG2 1 ATOM 3882 N N . SER A 1 529 ? -40.184 9.700 12.414 1.00 51.46 ? 552 SER A N 1 ATOM 3883 C CA . SER A 1 529 ? -39.302 9.307 11.325 1.00 42.68 ? 552 SER A CA 1 ATOM 3884 C C . SER A 1 529 ? -38.144 8.450 11.818 1.00 41.68 ? 552 SER A C 1 ATOM 3885 O O . SER A 1 529 ? -37.550 7.708 11.028 1.00 40.07 ? 552 SER A O 1 ATOM 3886 C CB . SER A 1 529 ? -38.767 10.558 10.611 1.00 36.92 ? 552 SER A CB 1 ATOM 3887 O OG . SER A 1 529 ? -37.978 11.371 11.476 1.00 37.49 ? 552 SER A OG 1 ATOM 3888 N N . GLY A 1 530 ? -37.808 8.535 13.101 1.00 45.33 ? 553 GLY A N 1 ATOM 3889 C CA . GLY A 1 530 ? -36.567 7.971 13.576 1.00 47.26 ? 553 GLY A CA 1 ATOM 3890 C C . GLY A 1 530 ? -35.323 8.710 13.135 1.00 39.44 ? 553 GLY A C 1 ATOM 3891 O O . GLY A 1 530 ? -34.219 8.240 13.426 1.00 39.71 ? 553 GLY A O 1 ATOM 3892 N N . CYS A 1 531 ? -35.461 9.842 12.438 1.00 39.97 ? 554 CYS A N 1 ATOM 3893 C CA . CYS A 1 531 ? -34.304 10.618 11.998 1.00 39.60 ? 554 CYS A CA 1 ATOM 3894 C C . CYS A 1 531 ? -33.750 11.435 13.155 1.00 38.92 ? 554 CYS A C 1 ATOM 3895 O O . CYS A 1 531 ? -34.453 11.731 14.111 1.00 44.54 ? 554 CYS A O 1 ATOM 3896 C CB . CYS A 1 531 ? -34.677 11.545 10.836 1.00 38.32 ? 554 CYS A CB 1 ATOM 3897 S SG . CYS A 1 531 ? -35.138 10.698 9.354 1.00 40.28 ? 554 CYS A SG 1 ATOM 3898 N N . LYS A 1 532 ? -32.478 11.820 13.059 1.00 39.71 ? 555 LYS A N 1 ATOM 3899 C CA . LYS A 1 532 ? -31.861 12.601 14.130 1.00 47.66 ? 555 LYS A CA 1 ATOM 3900 C C . LYS A 1 532 ? -30.840 13.588 13.580 1.00 44.51 ? 555 LYS A C 1 ATOM 3901 O O . LYS A 1 532 ? -30.030 13.236 12.720 1.00 44.92 ? 555 LYS A O 1 ATOM 3902 C CB . LYS A 1 532 ? -31.177 11.687 15.157 1.00 57.66 ? 555 LYS A CB 1 ATOM 3903 C CG . LYS A 1 532 ? -32.120 10.844 16.000 1.00 61.29 ? 555 LYS A CG 1 ATOM 3904 C CD . LYS A 1 532 ? -31.352 9.820 16.817 1.00 66.15 ? 555 LYS A CD 1 ATOM 3905 C CE . LYS A 1 532 ? -32.216 8.611 17.136 1.00 68.24 ? 555 LYS A CE 1 ATOM 3906 N NZ . LYS A 1 532 ? -32.863 8.085 15.894 1.00 67.06 ? 555 LYS A NZ 1 ATOM 3907 N N . CYS A 1 533 ? -30.859 14.817 14.101 1.00 45.18 ? 556 CYS A N 1 ATOM 3908 C CA . CYS A 1 533 ? -29.816 15.790 13.776 1.00 42.59 ? 556 CYS A CA 1 ATOM 3909 C C . CYS A 1 533 ? -29.690 16.723 14.978 1.00 46.47 ? 556 CYS A C 1 ATOM 3910 O O . CYS A 1 533 ? -30.290 17.799 15.005 1.00 44.75 ? 556 CYS A O 1 ATOM 3911 C CB . CYS A 1 533 ? -30.108 16.566 12.501 1.00 45.55 ? 556 CYS A CB 1 ATOM 3912 S SG . CYS A 1 533 ? -28.747 17.699 12.074 1.00 50.94 ? 556 CYS A SG 1 ATOM 3913 N N . SER A 1 534 ? -28.879 16.308 15.953 1.00 47.69 ? 557 SER A N 1 ATOM 3914 C CA . SER A 1 534 ? -28.822 17.015 17.227 1.00 55.74 ? 557 SER A CA 1 ATOM 3915 C C . SER A 1 534 ? -28.109 18.355 17.127 1.00 54.37 ? 557 SER A C 1 ATOM 3916 O O . SER A 1 534 ? -28.239 19.167 18.043 1.00 51.04 ? 557 SER A O 1 ATOM 3917 C CB . SER A 1 534 ? -28.149 16.135 18.286 1.00 57.25 ? 557 SER A CB 1 ATOM 3918 O OG . SER A 1 534 ? -26.830 15.786 17.898 1.00 59.28 ? 557 SER A OG 1 ATOM 3919 N N . SER A 1 535 ? -27.362 18.606 16.046 1.00 48.60 ? 558 SER A N 1 ATOM 3920 C CA . SER A 1 535 ? -26.628 19.866 15.926 1.00 48.11 ? 558 SER A CA 1 ATOM 3921 C C . SER A 1 535 ? -27.523 21.068 15.650 1.00 45.56 ? 558 SER A C 1 ATOM 3922 O O . SER A 1 535 ? -27.099 22.202 15.897 1.00 43.47 ? 558 SER A O 1 ATOM 3923 C CB . SER A 1 535 ? -25.579 19.777 14.822 1.00 41.73 ? 558 SER A CB 1 ATOM 3924 O OG . SER A 1 535 ? -26.185 19.559 13.555 1.00 51.73 ? 558 SER A OG 1 ATOM 3925 N N . ILE A 1 536 ? -28.721 20.856 15.122 1.00 41.74 ? 559 ILE A N 1 ATOM 3926 C CA . ILE A 1 536 ? -29.589 21.954 14.712 1.00 46.78 ? 559 ILE A CA 1 ATOM 3927 C C . ILE A 1 536 ? -30.149 22.626 15.954 1.00 43.25 ? 559 ILE A C 1 ATOM 3928 O O . ILE A 1 536 ? -30.744 21.963 16.807 1.00 45.00 ? 559 ILE A O 1 ATOM 3929 C CB . ILE A 1 536 ? -30.724 21.440 13.811 1.00 42.01 ? 559 ILE A CB 1 ATOM 3930 C CG1 . ILE A 1 536 ? -30.207 21.129 12.416 1.00 38.48 ? 559 ILE A CG1 1 ATOM 3931 C CG2 . ILE A 1 536 ? -31.921 22.437 13.793 1.00 40.55 ? 559 ILE A CG2 1 ATOM 3932 C CD1 . ILE A 1 536 ? -31.189 20.345 11.586 1.00 37.27 ? 559 ILE A CD1 1 ATOM 3933 N N . THR A 1 537 ? -29.977 23.943 16.056 1.00 43.94 ? 560 THR A N 1 ATOM 3934 C CA . THR A 1 537 ? -30.472 24.659 17.225 1.00 47.05 ? 560 THR A CA 1 ATOM 3935 C C . THR A 1 537 ? -31.834 25.319 17.018 1.00 48.20 ? 560 THR A C 1 ATOM 3936 O O . THR A 1 537 ? -32.648 25.341 17.951 1.00 50.90 ? 560 THR A O 1 ATOM 3937 C CB . THR A 1 537 ? -29.445 25.701 17.672 1.00 54.25 ? 560 THR A CB 1 ATOM 3938 O OG1 . THR A 1 537 ? -28.839 26.306 16.523 1.00 62.13 ? 560 THR A OG1 1 ATOM 3939 C CG2 . THR A 1 537 ? -28.364 25.034 18.515 1.00 60.08 ? 560 THR A CG2 1 ATOM 3940 N N . ASP A 1 538 ? -32.114 25.893 15.849 1.00 44.59 ? 561 ASP A N 1 ATOM 3941 C CA . ASP A 1 538 ? -33.447 26.424 15.569 1.00 44.64 ? 561 ASP A CA 1 ATOM 3942 C C . ASP A 1 538 ? -33.955 25.692 14.333 1.00 42.88 ? 561 ASP A C 1 ATOM 3943 O O . ASP A 1 538 ? -33.598 26.036 13.207 1.00 41.79 ? 561 ASP A O 1 ATOM 3944 C CB . ASP A 1 538 ? -33.461 27.963 15.411 1.00 45.39 ? 561 ASP A CB 1 ATOM 3945 C CG . ASP A 1 538 ? -34.892 28.535 15.253 1.00 45.78 ? 561 ASP A CG 1 ATOM 3946 O OD1 . ASP A 1 538 ? -35.721 27.804 14.680 1.00 44.84 ? 561 ASP A OD1 1 ATOM 3947 O OD2 . ASP A 1 538 ? -35.205 29.700 15.685 1.00 47.13 ? 561 ASP A OD2 1 ATOM 3948 N N . LEU A 1 539 ? -34.822 24.702 14.552 1.00 42.75 ? 562 LEU A N 1 ATOM 3949 C CA . LEU A 1 539 ? -35.289 23.863 13.454 1.00 41.22 ? 562 LEU A CA 1 ATOM 3950 C C . LEU A 1 539 ? -36.200 24.632 12.503 1.00 40.79 ? 562 LEU A C 1 ATOM 3951 O O . LEU A 1 539 ? -36.116 24.448 11.283 1.00 39.42 ? 562 LEU A O 1 ATOM 3952 C CB . LEU A 1 539 ? -36.004 22.624 13.998 1.00 41.45 ? 562 LEU A CB 1 ATOM 3953 C CG . LEU A 1 539 ? -36.503 21.621 12.943 1.00 40.02 ? 562 LEU A CG 1 ATOM 3954 C CD1 . LEU A 1 539 ? -35.398 21.155 11.966 1.00 38.50 ? 562 LEU A CD1 1 ATOM 3955 C CD2 . LEU A 1 539 ? -37.149 20.426 13.628 1.00 40.57 ? 562 LEU A CD2 1 ATOM 3956 N N . GLU A 1 540 ? -37.086 25.494 13.033 1.00 42.06 ? 563 GLU A N 1 ATOM 3957 C CA . GLU A 1 540 ? -37.970 26.229 12.130 1.00 41.85 ? 563 GLU A CA 1 ATOM 3958 C C . GLU A 1 540 ? -37.159 27.161 11.227 1.00 41.26 ? 563 GLU A C 1 ATOM 3959 O O . GLU A 1 540 ? -37.487 27.330 10.051 1.00 40.37 ? 563 GLU A O 1 ATOM 3960 C CB . GLU A 1 540 ? -39.056 27.013 12.892 1.00 43.51 ? 563 GLU A CB 1 ATOM 3961 C CG . GLU A 1 540 ? -40.146 26.208 13.666 1.00 44.30 ? 563 GLU A CG 1 ATOM 3962 C CD . GLU A 1 540 ? -40.976 25.156 12.852 1.00 43.29 ? 563 GLU A CD 1 ATOM 3963 O OE1 . GLU A 1 540 ? -40.786 23.962 13.182 1.00 42.93 ? 563 GLU A OE1 1 ATOM 3964 O OE2 . GLU A 1 540 ? -41.874 25.464 11.989 1.00 43.08 ? 563 GLU A OE2 1 ATOM 3965 N N . ALA A 1 541 ? -36.070 27.729 11.746 1.00 41.82 ? 564 ALA A N 1 ATOM 3966 C CA . ALA A 1 541 ? -35.214 28.584 10.927 1.00 41.40 ? 564 ALA A CA 1 ATOM 3967 C C . ALA A 1 541 ? -34.468 27.780 9.865 1.00 39.67 ? 564 ALA A C 1 ATOM 3968 O O . ALA A 1 541 ? -34.394 28.196 8.707 1.00 38.89 ? 564 ALA A O 1 ATOM 3969 C CB . ALA A 1 541 ? -34.227 29.337 11.814 1.00 42.62 ? 564 ALA A CB 1 ATOM 3970 N N . VAL A 1 542 ? -33.923 26.622 10.235 1.00 39.15 ? 565 VAL A N 1 ATOM 3971 C CA . VAL A 1 542 ? -33.193 25.804 9.272 1.00 37.61 ? 565 VAL A CA 1 ATOM 3972 C C . VAL A 1 542 ? -34.116 25.339 8.157 1.00 36.45 ? 565 VAL A C 1 ATOM 3973 O O . VAL A 1 542 ? -33.742 25.354 6.975 1.00 35.34 ? 565 VAL A O 1 ATOM 3974 C CB . VAL A 1 542 ? -32.514 24.628 9.994 1.00 41.03 ? 565 VAL A CB 1 ATOM 3975 C CG1 . VAL A 1 542 ? -32.031 23.570 8.987 1.00 35.96 ? 565 VAL A CG1 1 ATOM 3976 C CG2 . VAL A 1 542 ? -31.365 25.170 10.859 1.00 38.65 ? 565 VAL A CG2 1 ATOM 3977 N N . ASN A 1 543 ? -35.357 24.985 8.501 1.00 36.84 ? 566 ASN A N 1 ATOM 3978 C CA . ASN A 1 543 ? -36.310 24.535 7.496 1.00 35.96 ? 566 ASN A CA 1 ATOM 3979 C C . ASN A 1 543 ? -36.840 25.668 6.619 1.00 36.07 ? 566 ASN A C 1 ATOM 3980 O O . ASN A 1 543 ? -37.268 25.400 5.492 1.00 35.15 ? 566 ASN A O 1 ATOM 3981 C CB . ASN A 1 543 ? -37.465 23.776 8.157 1.00 36.53 ? 566 ASN A CB 1 ATOM 3982 C CG . ASN A 1 543 ? -37.079 22.342 8.521 1.00 36.02 ? 566 ASN A CG 1 ATOM 3983 O OD1 . ASN A 1 543 ? -36.181 21.747 7.892 1.00 34.88 ? 566 ASN A OD1 1 ATOM 3984 N ND2 . ASN A 1 543 ? -37.756 21.771 9.529 1.00 36.98 ? 566 ASN A ND2 1 ATOM 3985 N N . GLN A 1 544 ? -36.796 26.921 7.083 1.00 37.26 ? 567 GLN A N 1 ATOM 3986 C CA . GLN A 1 544 ? -37.150 28.023 6.188 1.00 37.45 ? 567 GLN A CA 1 ATOM 3987 C C . GLN A 1 544 ? -36.143 28.209 5.049 1.00 36.37 ? 567 GLN A C 1 ATOM 3988 O O . GLN A 1 544 ? -36.507 28.769 4.014 1.00 36.18 ? 567 GLN A O 1 ATOM 3989 C CB . GLN A 1 544 ? -37.302 29.338 6.968 1.00 39.13 ? 567 GLN A CB 1 ATOM 3990 C CG . GLN A 1 544 ? -38.518 29.391 7.913 1.00 40.41 ? 567 GLN A CG 1 ATOM 3991 C CD . GLN A 1 544 ? -39.870 29.391 7.199 1.00 40.47 ? 567 GLN A CD 1 ATOM 3992 O OE1 . GLN A 1 544 ? -39.953 29.543 5.979 1.00 39.71 ? 567 GLN A OE1 1 ATOM 3993 N NE2 . GLN A 1 544 ? -40.948 29.241 7.975 1.00 41.52 ? 567 GLN A NE2 1 ATOM 3994 N N . ARG A 1 545 ? -34.897 27.752 5.198 1.00 35.77 ? 568 ARG A N 1 ATOM 3995 C CA . ARG A 1 545 ? -33.992 27.744 4.047 1.00 41.90 ? 568 ARG A CA 1 ATOM 3996 C C . ARG A 1 545 ? -34.532 26.908 2.879 1.00 34.64 ? 568 ARG A C 1 ATOM 3997 O O . ARG A 1 545 ? -34.093 27.099 1.739 1.00 32.62 ? 568 ARG A O 1 ATOM 3998 C CB . ARG A 1 545 ? -32.610 27.233 4.461 1.00 34.35 ? 568 ARG A CB 1 ATOM 3999 C CG . ARG A 1 545 ? -31.947 28.069 5.556 1.00 35.75 ? 568 ARG A CG 1 ATOM 4000 C CD . ARG A 1 545 ? -30.530 27.573 5.776 1.00 35.46 ? 568 ARG A CD 1 ATOM 4001 N NE . ARG A 1 545 ? -29.903 27.284 4.483 1.00 40.87 ? 568 ARG A NE 1 ATOM 4002 C CZ . ARG A 1 545 ? -29.211 28.173 3.774 1.00 34.32 ? 568 ARG A CZ 1 ATOM 4003 N NH1 . ARG A 1 545 ? -29.026 29.394 4.245 1.00 35.67 ? 568 ARG A NH1 1 ATOM 4004 N NH2 . ARG A 1 545 ? -28.704 27.832 2.594 1.00 33.38 ? 568 ARG A NH2 1 ATOM 4005 N N . LEU A 1 546 ? -35.473 25.994 3.131 1.00 33.15 ? 569 LEU A N 1 ATOM 4006 C CA . LEU A 1 546 ? -36.101 25.170 2.102 1.00 32.09 ? 569 LEU A CA 1 ATOM 4007 C C . LEU A 1 546 ? -37.333 25.820 1.478 1.00 32.59 ? 569 LEU A C 1 ATOM 4008 O O . LEU A 1 546 ? -38.047 25.162 0.716 1.00 31.98 ? 569 LEU A O 1 ATOM 4009 C CB . LEU A 1 546 ? -36.515 23.821 2.688 1.00 31.81 ? 569 LEU A CB 1 ATOM 4010 C CG . LEU A 1 546 ? -35.386 22.989 3.272 1.00 33.70 ? 569 LEU A CG 1 ATOM 4011 C CD1 . LEU A 1 546 ? -35.943 21.776 4.010 1.00 31.51 ? 569 LEU A CD1 1 ATOM 4012 C CD2 . LEU A 1 546 ? -34.444 22.582 2.122 1.00 30.05 ? 569 LEU A CD2 1 ATOM 4013 N N . ASN A 1 547 ? -37.612 27.067 1.807 1.00 33.82 ? 570 ASN A N 1 ATOM 4014 C CA . ASN A 1 547 ? -38.831 27.763 1.388 1.00 34.66 ? 570 ASN A CA 1 ATOM 4015 C C . ASN A 1 547 ? -38.356 29.107 0.852 1.00 35.22 ? 570 ASN A C 1 ATOM 4016 O O . ASN A 1 547 ? -38.482 30.138 1.526 1.00 36.57 ? 570 ASN A O 1 ATOM 4017 C CB . ASN A 1 547 ? -39.801 27.908 2.585 1.00 36.01 ? 570 ASN A CB 1 ATOM 4018 C CG . ASN A 1 547 ? -41.159 28.513 2.223 1.00 37.05 ? 570 ASN A CG 1 ATOM 4019 O OD1 . ASN A 1 547 ? -41.604 28.524 1.070 1.00 42.21 ? 570 ASN A OD1 1 ATOM 4020 N ND2 . ASN A 1 547 ? -41.837 28.993 3.243 1.00 38.48 ? 570 ASN A ND2 1 ATOM 4021 N N . LEU A 1 548 ? -37.797 29.086 -0.355 1.00 34.27 ? 571 LEU A N 1 ATOM 4022 C CA . LEU A 1 548 ? -37.117 30.250 -0.893 1.00 35.47 ? 571 LEU A CA 1 ATOM 4023 C C . LEU A 1 548 ? -38.106 31.287 -1.398 1.00 36.92 ? 571 LEU A C 1 ATOM 4024 O O . LEU A 1 548 ? -39.199 30.968 -1.876 1.00 35.95 ? 571 LEU A O 1 ATOM 4025 C CB . LEU A 1 548 ? -36.167 29.862 -2.030 1.00 33.43 ? 571 LEU A CB 1 ATOM 4026 C CG . LEU A 1 548 ? -35.029 28.882 -1.730 1.00 35.67 ? 571 LEU A CG 1 ATOM 4027 C CD1 . LEU A 1 548 ? -34.323 28.471 -3.026 1.00 31.07 ? 571 LEU A CD1 1 ATOM 4028 C CD2 . LEU A 1 548 ? -34.055 29.500 -0.722 1.00 43.06 ? 571 LEU A CD2 1 ATOM 4029 N N . ILE A 1 549 ? -37.683 32.544 -1.300 1.00 37.05 ? 572 ILE A N 1 ATOM 4030 C CA . ILE A 1 549 ? -38.360 33.640 -1.965 1.00 39.32 ? 572 ILE A CA 1 ATOM 4031 C C . ILE A 1 549 ? -38.259 33.479 -3.483 1.00 42.01 ? 572 ILE A C 1 ATOM 4032 O O . ILE A 1 549 ? -37.358 32.794 -4.002 1.00 36.04 ? 572 ILE A O 1 ATOM 4033 C CB . ILE A 1 549 ? -37.720 34.946 -1.458 1.00 42.95 ? 572 ILE A CB 1 ATOM 4034 C CG1 . ILE A 1 549 ? -38.003 35.081 0.038 1.00 41.28 ? 572 ILE A CG1 1 ATOM 4035 C CG2 . ILE A 1 549 ? -38.284 36.143 -2.129 1.00 54.56 ? 572 ILE A CG2 1 ATOM 4036 C CD1 . ILE A 1 549 ? -36.860 35.685 0.803 1.00 48.89 ? 572 ILE A CD1 1 ATOM 4037 N N . ASP A 1 550 ? -39.196 34.113 -4.208 1.00 38.38 ? 573 ASP A N 1 ATOM 4038 C CA . ASP A 1 550 ? -39.294 33.908 -5.652 1.00 40.33 ? 573 ASP A CA 1 ATOM 4039 C C . ASP A 1 550 ? -37.983 34.236 -6.363 1.00 42.62 ? 573 ASP A C 1 ATOM 4040 O O . ASP A 1 550 ? -37.594 33.550 -7.314 1.00 35.99 ? 573 ASP A O 1 ATOM 4041 C CB . ASP A 1 550 ? -40.432 34.740 -6.242 1.00 43.40 ? 573 ASP A CB 1 ATOM 4042 C CG . ASP A 1 550 ? -41.772 34.494 -5.547 1.00 49.98 ? 573 ASP A CG 1 ATOM 4043 O OD1 . ASP A 1 550 ? -41.869 33.573 -4.711 1.00 51.70 ? 573 ASP A OD1 1 ATOM 4044 O OD2 . ASP A 1 550 ? -42.731 35.228 -5.840 1.00 55.49 ? 573 ASP A OD2 1 ATOM 4045 N N . GLN A 1 551 ? -37.268 35.261 -5.900 1.00 38.23 ? 574 GLN A N 1 ATOM 4046 C CA . GLN A 1 551 ? -36.041 35.622 -6.598 1.00 38.89 ? 574 GLN A CA 1 ATOM 4047 C C . GLN A 1 551 ? -34.912 34.648 -6.264 1.00 42.34 ? 574 GLN A C 1 ATOM 4048 O O . GLN A 1 551 ? -34.032 34.416 -7.099 1.00 38.13 ? 574 GLN A O 1 ATOM 4049 C CB . GLN A 1 551 ? -35.666 37.064 -6.267 1.00 46.54 ? 574 GLN A CB 1 ATOM 4050 C CG . GLN A 1 551 ? -34.190 37.350 -6.219 1.00 51.47 ? 574 GLN A CG 1 ATOM 4051 C CD . GLN A 1 551 ? -33.910 38.785 -5.803 1.00 62.11 ? 574 GLN A CD 1 ATOM 4052 O OE1 . GLN A 1 551 ? -34.276 39.733 -6.505 1.00 60.75 ? 574 GLN A OE1 1 ATOM 4053 N NE2 . GLN A 1 551 ? -33.285 38.954 -4.641 1.00 62.93 ? 574 GLN A NE2 1 ATOM 4054 N N . ALA A 1 552 ? -34.941 34.041 -5.067 1.00 40.02 ? 575 ALA A N 1 ATOM 4055 C CA . ALA A 1 552 ? -33.998 32.974 -4.744 1.00 35.73 ? 575 ALA A CA 1 ATOM 4056 C C . ALA A 1 552 ? -34.263 31.741 -5.589 1.00 35.10 ? 575 ALA A C 1 ATOM 4057 O O . ALA A 1 552 ? -33.324 31.087 -6.044 1.00 32.02 ? 575 ALA A O 1 ATOM 4058 C CB . ALA A 1 552 ? -34.073 32.624 -3.259 1.00 34.92 ? 575 ALA A CB 1 ATOM 4059 N N . LYS A 1 553 ? -35.535 31.400 -5.800 1.00 33.97 ? 576 LYS A N 1 ATOM 4060 C CA . LYS A 1 553 ? -35.861 30.304 -6.706 1.00 32.15 ? 576 LYS A CA 1 ATOM 4061 C C . LYS A 1 553 ? -35.307 30.557 -8.098 1.00 34.81 ? 576 LYS A C 1 ATOM 4062 O O . LYS A 1 553 ? -34.729 29.656 -8.726 1.00 32.31 ? 576 LYS A O 1 ATOM 4063 C CB . LYS A 1 553 ? -37.377 30.111 -6.775 1.00 34.09 ? 576 LYS A CB 1 ATOM 4064 C CG . LYS A 1 553 ? -37.980 29.489 -5.528 1.00 36.26 ? 576 LYS A CG 1 ATOM 4065 C CD . LYS A 1 553 ? -39.512 29.348 -5.612 1.00 37.64 ? 576 LYS A CD 1 ATOM 4066 C CE . LYS A 1 553 ? -40.050 28.587 -4.384 1.00 37.20 ? 576 LYS A CE 1 ATOM 4067 N NZ . LYS A 1 553 ? -41.530 28.764 -4.195 1.00 39.52 ? 576 LYS A NZ 1 ATOM 4068 N N . MET A 1 554 ? -35.502 31.774 -8.609 1.00 38.38 ? 577 MET A N 1 ATOM 4069 C CA . MET A 1 554 ? -35.092 32.070 -9.975 1.00 37.91 ? 577 MET A CA 1 ATOM 4070 C C . MET A 1 554 ? -33.571 32.061 -10.102 1.00 32.59 ? 577 MET A C 1 ATOM 4071 O O . MET A 1 554 ? -33.028 31.589 -11.106 1.00 31.16 ? 577 MET A O 1 ATOM 4072 C CB . MET A 1 554 ? -35.697 33.400 -10.409 1.00 34.33 ? 577 MET A CB 1 ATOM 4073 C CG . MET A 1 554 ? -37.200 33.352 -10.548 1.00 40.74 ? 577 MET A CG 1 ATOM 4074 S SD . MET A 1 554 ? -37.915 35.010 -10.529 1.00 59.73 ? 577 MET A SD 1 ATOM 4075 C CE . MET A 1 554 ? -37.250 35.653 -12.036 1.00 53.57 ? 577 MET A CE 1 ATOM 4076 N N . GLN A 1 555 ? -32.877 32.560 -9.078 1.00 37.73 ? 578 GLN A N 1 ATOM 4077 C CA . GLN A 1 555 ? -31.426 32.450 -9.001 1.00 35.35 ? 578 GLN A CA 1 ATOM 4078 C C . GLN A 1 555 ? -30.978 30.993 -8.985 1.00 30.49 ? 578 GLN A C 1 ATOM 4079 O O . GLN A 1 555 ? -30.023 30.612 -9.673 1.00 30.64 ? 578 GLN A O 1 ATOM 4080 C CB . GLN A 1 555 ? -30.922 33.161 -7.744 1.00 38.54 ? 578 GLN A CB 1 ATOM 4081 C CG . GLN A 1 555 ? -29.407 33.130 -7.601 1.00 45.80 ? 578 GLN A CG 1 ATOM 4082 C CD . GLN A 1 555 ? -28.710 33.824 -8.756 1.00 51.55 ? 578 GLN A CD 1 ATOM 4083 O OE1 . GLN A 1 555 ? -29.049 34.956 -9.107 1.00 57.31 ? 578 GLN A OE1 1 ATOM 4084 N NE2 . GLN A 1 555 ? -27.718 33.159 -9.347 1.00 50.37 ? 578 GLN A NE2 1 ATOM 4085 N N . SER A 1 556 ? -31.618 30.169 -8.156 1.00 30.54 ? 579 SER A N 1 ATOM 4086 C CA . SER A 1 556 ? -31.258 28.754 -8.159 1.00 31.87 ? 579 SER A CA 1 ATOM 4087 C C . SER A 1 556 ? -31.517 28.123 -9.523 1.00 28.14 ? 579 SER A C 1 ATOM 4088 O O . SER A 1 556 ? -30.685 27.366 -10.039 1.00 27.25 ? 579 SER A O 1 ATOM 4089 C CB . SER A 1 556 ? -32.005 27.986 -7.067 1.00 28.90 ? 579 SER A CB 1 ATOM 4090 O OG . SER A 1 556 ? -31.524 26.637 -7.060 1.00 28.27 ? 579 SER A OG 1 ATOM 4091 N N . GLU A 1 557 ? -32.645 28.479 -10.128 1.00 27.98 ? 580 GLU A N 1 ATOM 4092 C CA . GLU A 1 557 ? -32.993 27.977 -11.449 1.00 27.27 ? 580 GLU A CA 1 ATOM 4093 C C . GLU A 1 557 ? -31.914 28.347 -12.469 1.00 29.75 ? 580 GLU A C 1 ATOM 4094 O O . GLU A 1 557 ? -31.514 27.516 -13.285 1.00 34.96 ? 580 GLU A O 1 ATOM 4095 C CB . GLU A 1 557 ? -34.349 28.527 -11.893 1.00 28.08 ? 580 GLU A CB 1 ATOM 4096 C CG . GLU A 1 557 ? -35.451 27.482 -11.958 1.00 33.17 ? 580 GLU A CG 1 ATOM 4097 C CD . GLU A 1 557 ? -36.766 27.986 -11.396 1.00 42.82 ? 580 GLU A CD 1 ATOM 4098 O OE1 . GLU A 1 557 ? -37.484 27.190 -10.754 1.00 44.58 ? 580 GLU A OE1 1 ATOM 4099 O OE2 . GLU A 1 557 ? -37.082 29.178 -11.595 1.00 46.70 ? 580 GLU A OE2 1 ATOM 4100 N N . ALA A 1 558 ? -31.443 29.593 -12.422 1.00 29.63 ? 581 ALA A N 1 ATOM 4101 C CA . ALA A 1 558 ? -30.407 30.048 -13.350 1.00 31.27 ? 581 ALA A CA 1 ATOM 4102 C C . ALA A 1 558 ? -29.074 29.331 -13.115 1.00 32.39 ? 581 ALA A C 1 ATOM 4103 O O . ALA A 1 558 ? -28.385 28.962 -14.072 1.00 34.75 ? 581 ALA A O 1 ATOM 4104 C CB . ALA A 1 558 ? -30.239 31.558 -13.249 1.00 34.37 ? 581 ALA A CB 1 ATOM 4105 N N . ASP A 1 559 ? -28.695 29.109 -11.861 1.00 29.81 ? 582 ASP A N 1 ATOM 4106 C CA . ASP A 1 559 ? -27.372 28.549 -11.624 1.00 33.04 ? 582 ASP A CA 1 ATOM 4107 C C . ASP A 1 559 ? -27.349 27.031 -11.762 1.00 31.81 ? 582 ASP A C 1 ATOM 4108 O O . ASP A 1 559 ? -26.356 26.475 -12.239 1.00 27.04 ? 582 ASP A O 1 ATOM 4109 C CB . ASP A 1 559 ? -26.855 28.938 -10.248 1.00 35.27 ? 582 ASP A CB 1 ATOM 4110 C CG . ASP A 1 559 ? -26.668 30.426 -10.111 1.00 45.73 ? 582 ASP A CG 1 ATOM 4111 O OD1 . ASP A 1 559 ? -26.622 31.123 -11.156 1.00 48.21 ? 582 ASP A OD1 1 ATOM 4112 O OD2 . ASP A 1 559 ? -26.574 30.896 -8.964 1.00 49.84 ? 582 ASP A OD2 1 ATOM 4113 N N . ASN A 1 560 ? -28.424 26.350 -11.343 1.00 28.10 ? 583 ASN A N 1 ATOM 4114 C CA . ASN A 1 560 ? -28.444 24.894 -11.268 1.00 28.09 ? 583 ASN A CA 1 ATOM 4115 C C . ASN A 1 560 ? -29.268 24.212 -12.353 1.00 29.33 ? 583 ASN A C 1 ATOM 4116 O O . ASN A 1 560 ? -29.111 23.006 -12.548 1.00 22.16 ? 583 ASN A O 1 ATOM 4117 C CB . ASN A 1 560 ? -28.972 24.459 -9.890 1.00 25.69 ? 583 ASN A CB 1 ATOM 4118 C CG . ASN A 1 560 ? -28.173 25.084 -8.762 1.00 30.64 ? 583 ASN A CG 1 ATOM 4119 O OD1 . ASN A 1 560 ? -28.734 25.744 -7.867 1.00 38.68 ? 583 ASN A OD1 1 ATOM 4120 N ND2 . ASN A 1 560 ? -26.862 24.894 -8.796 1.00 26.53 ? 583 ASN A ND2 1 ATOM 4121 N N . LEU A 1 561 ? -30.145 24.932 -13.057 1.00 27.87 ? 584 LEU A N 1 ATOM 4122 C CA . LEU A 1 561 ? -30.854 24.375 -14.208 1.00 27.36 ? 584 LEU A CA 1 ATOM 4123 C C . LEU A 1 561 ? -30.620 25.278 -15.412 1.00 27.58 ? 584 LEU A C 1 ATOM 4124 O O . LEU A 1 561 ? -31.573 25.778 -16.016 1.00 27.44 ? 584 LEU A O 1 ATOM 4125 C CB . LEU A 1 561 ? -32.346 24.208 -13.922 1.00 25.27 ? 584 LEU A CB 1 ATOM 4126 C CG . LEU A 1 561 ? -32.715 23.001 -13.041 1.00 22.81 ? 584 LEU A CG 1 ATOM 4127 C CD1 . LEU A 1 561 ? -34.172 23.035 -12.524 1.00 23.44 ? 584 LEU A CD1 1 ATOM 4128 C CD2 . LEU A 1 561 ? -32.444 21.702 -13.792 1.00 21.67 ? 584 LEU A CD2 1 ATOM 4129 N N . PRO A 1 562 ? -29.356 25.489 -15.804 1.00 23.61 ? 585 PRO A N 1 ATOM 4130 C CA . PRO A 1 562 ? -29.085 26.518 -16.819 1.00 27.29 ? 585 PRO A CA 1 ATOM 4131 C C . PRO A 1 562 ? -29.597 26.129 -18.186 1.00 26.21 ? 585 PRO A C 1 ATOM 4132 O O . PRO A 1 562 ? -29.741 27.002 -19.039 1.00 30.46 ? 585 PRO A O 1 ATOM 4133 C CB . PRO A 1 562 ? -27.556 26.632 -16.792 1.00 24.36 ? 585 PRO A CB 1 ATOM 4134 C CG . PRO A 1 562 ? -27.133 25.235 -16.427 1.00 23.09 ? 585 PRO A CG 1 ATOM 4135 C CD . PRO A 1 562 ? -28.117 24.822 -15.377 1.00 22.93 ? 585 PRO A CD 1 ATOM 4136 N N . TYR A 1 563 ? -29.882 24.850 -18.422 1.00 23.74 ? 586 TYR A N 1 ATOM 4137 C CA . TYR A 1 563 ? -30.438 24.412 -19.693 1.00 26.48 ? 586 TYR A CA 1 ATOM 4138 C C . TYR A 1 563 ? -31.932 24.120 -19.600 1.00 26.24 ? 586 TYR A C 1 ATOM 4139 O O . TYR A 1 563 ? -32.488 23.509 -20.514 1.00 25.50 ? 586 TYR A O 1 ATOM 4140 C CB . TYR A 1 563 ? -29.672 23.181 -20.206 1.00 24.48 ? 586 TYR A CB 1 ATOM 4141 C CG . TYR A 1 563 ? -28.208 23.273 -19.859 1.00 25.67 ? 586 TYR A CG 1 ATOM 4142 C CD1 . TYR A 1 563 ? -27.432 24.308 -20.344 1.00 24.20 ? 586 TYR A CD1 1 ATOM 4143 C CD2 . TYR A 1 563 ? -27.625 22.370 -18.978 1.00 28.10 ? 586 TYR A CD2 1 ATOM 4144 C CE1 . TYR A 1 563 ? -26.097 24.432 -19.994 1.00 28.04 ? 586 TYR A CE1 1 ATOM 4145 C CE2 . TYR A 1 563 ? -26.290 22.466 -18.640 1.00 32.04 ? 586 TYR A CE2 1 ATOM 4146 C CZ . TYR A 1 563 ? -25.536 23.507 -19.131 1.00 30.09 ? 586 TYR A CZ 1 ATOM 4147 O OH . TYR A 1 563 ? -24.223 23.587 -18.769 1.00 29.86 ? 586 TYR A OH 1 ATOM 4148 N N . GLY A 1 564 ? -32.594 24.576 -18.542 1.00 29.45 ? 587 GLY A N 1 ATOM 4149 C CA . GLY A 1 564 ? -33.999 24.299 -18.344 1.00 23.80 ? 587 GLY A CA 1 ATOM 4150 C C . GLY A 1 564 ? -34.205 23.065 -17.483 1.00 28.45 ? 587 GLY A C 1 ATOM 4151 O O . GLY A 1 564 ? -33.329 22.208 -17.349 1.00 21.90 ? 587 GLY A O 1 ATOM 4152 N N . ARG A 1 565 ? -35.387 22.995 -16.867 1.00 27.32 ? 588 ARG A N 1 ATOM 4153 C CA . ARG A 1 565 ? -35.673 21.794 -16.095 1.00 30.09 ? 588 ARG A CA 1 ATOM 4154 C C . ARG A 1 565 ? -36.042 20.639 -17.033 1.00 23.80 ? 588 ARG A C 1 ATOM 4155 O O . ARG A 1 565 ? -36.644 20.864 -18.082 1.00 25.88 ? 588 ARG A O 1 ATOM 4156 C CB . ARG A 1 565 ? -36.801 22.058 -15.082 1.00 33.55 ? 588 ARG A CB 1 ATOM 4157 C CG . ARG A 1 565 ? -38.191 21.751 -15.568 1.00 31.15 ? 588 ARG A CG 1 ATOM 4158 C CD . ARG A 1 565 ? -39.280 21.906 -14.472 1.00 26.99 ? 588 ARG A CD 1 ATOM 4159 N NE . ARG A 1 565 ? -40.568 22.198 -15.100 1.00 27.72 ? 588 ARG A NE 1 ATOM 4160 C CZ . ARG A 1 565 ? -41.284 21.320 -15.797 1.00 36.35 ? 588 ARG A CZ 1 ATOM 4161 N NH1 . ARG A 1 565 ? -40.862 20.064 -15.935 1.00 30.57 ? 588 ARG A NH1 1 ATOM 4162 N NH2 . ARG A 1 565 ? -42.434 21.690 -16.341 1.00 38.46 ? 588 ARG A NH2 1 ATOM 4163 N N . PRO A 1 566 ? -35.666 19.401 -16.699 1.00 24.70 ? 589 PRO A N 1 ATOM 4164 C CA . PRO A 1 566 ? -36.132 18.249 -17.483 1.00 29.22 ? 589 PRO A CA 1 ATOM 4165 C C . PRO A 1 566 ? -37.647 18.229 -17.620 1.00 27.67 ? 589 PRO A C 1 ATOM 4166 O O . PRO A 1 566 ? -38.379 18.457 -16.655 1.00 29.80 ? 589 PRO A O 1 ATOM 4167 C CB . PRO A 1 566 ? -35.637 17.040 -16.670 1.00 22.44 ? 589 PRO A CB 1 ATOM 4168 C CG . PRO A 1 566 ? -34.476 17.521 -15.898 1.00 22.50 ? 589 PRO A CG 1 ATOM 4169 C CD . PRO A 1 566 ? -34.761 19.005 -15.607 1.00 25.34 ? 589 PRO A CD 1 ATOM 4170 N N . HIS A 1 567 ? -38.126 17.946 -18.829 1.00 26.73 ? 590 HIS A N 1 ATOM 4171 C CA . HIS A 1 567 ? -39.547 17.676 -19.014 1.00 28.43 ? 590 HIS A CA 1 ATOM 4172 C C . HIS A 1 567 ? -39.825 16.200 -18.733 1.00 30.32 ? 590 HIS A C 1 ATOM 4173 O O . HIS A 1 567 ? -38.991 15.331 -18.991 1.00 26.68 ? 590 HIS A O 1 ATOM 4174 C CB . HIS A 1 567 ? -40.004 18.024 -20.433 1.00 29.96 ? 590 HIS A CB 1 ATOM 4175 C CG . HIS A 1 567 ? -40.058 19.492 -20.717 1.00 37.56 ? 590 HIS A CG 1 ATOM 4176 N ND1 . HIS A 1 567 ? -40.161 19.999 -21.997 1.00 37.03 ? 590 HIS A ND1 1 ATOM 4177 C CD2 . HIS A 1 567 ? -40.040 20.562 -19.889 1.00 43.16 ? 590 HIS A CD2 1 ATOM 4178 C CE1 . HIS A 1 567 ? -40.193 21.316 -21.944 1.00 45.35 ? 590 HIS A CE1 1 ATOM 4179 N NE2 . HIS A 1 567 ? -40.123 21.684 -20.678 1.00 48.00 ? 590 HIS A NE2 1 ATOM 4180 N N . VAL A 1 568 ? -41.000 15.914 -18.192 1.00 26.35 ? 591 VAL A N 1 ATOM 4181 C CA . VAL A 1 568 ? -41.321 14.553 -17.785 1.00 32.39 ? 591 VAL A CA 1 ATOM 4182 C C . VAL A 1 568 ? -42.310 13.984 -18.794 1.00 31.39 ? 591 VAL A C 1 ATOM 4183 O O . VAL A 1 568 ? -43.462 14.443 -18.886 1.00 32.22 ? 591 VAL A O 1 ATOM 4184 C CB . VAL A 1 568 ? -41.863 14.492 -16.351 1.00 29.31 ? 591 VAL A CB 1 ATOM 4185 C CG1 . VAL A 1 568 ? -42.151 13.046 -15.989 1.00 27.33 ? 591 VAL A CG1 1 ATOM 4186 C CG2 . VAL A 1 568 ? -40.841 15.088 -15.383 1.00 29.43 ? 591 VAL A CG2 1 ATOM 4187 N N . LEU A 1 569 ? -41.846 12.999 -19.568 1.00 26.85 ? 592 LEU A N 1 ATOM 4188 C CA . LEU A 1 569 ? -42.665 12.319 -20.566 1.00 28.66 ? 592 LEU A CA 1 ATOM 4189 C C . LEU A 1 569 ? -43.377 11.096 -20.003 1.00 30.32 ? 592 LEU A C 1 ATOM 4190 O O . LEU A 1 569 ? -44.440 10.709 -20.498 1.00 31.55 ? 592 LEU A O 1 ATOM 4191 C CB . LEU A 1 569 ? -41.807 11.893 -21.755 1.00 30.99 ? 592 LEU A CB 1 ATOM 4192 C CG . LEU A 1 569 ? -40.940 12.962 -22.421 1.00 37.91 ? 592 LEU A CG 1 ATOM 4193 C CD1 . LEU A 1 569 ? -40.508 12.527 -23.832 1.00 38.38 ? 592 LEU A CD1 1 ATOM 4194 C CD2 . LEU A 1 569 ? -41.637 14.303 -22.442 1.00 31.77 ? 592 LEU A CD2 1 ATOM 4195 N N . GLN A 1 570 ? -42.801 10.481 -18.988 1.00 30.04 ? 593 GLN A N 1 ATOM 4196 C CA . GLN A 1 570 ? -43.464 9.456 -18.206 1.00 27.77 ? 593 GLN A CA 1 ATOM 4197 C C . GLN A 1 570 ? -44.690 10.038 -17.494 1.00 30.27 ? 593 GLN A C 1 ATOM 4198 O O . GLN A 1 570 ? -44.778 11.244 -17.241 1.00 30.78 ? 593 GLN A O 1 ATOM 4199 C CB . GLN A 1 570 ? -42.463 8.886 -17.188 1.00 30.50 ? 593 GLN A CB 1 ATOM 4200 C CG . GLN A 1 570 ? -42.923 7.625 -16.437 1.00 45.32 ? 593 GLN A CG 1 ATOM 4201 C CD . GLN A 1 570 ? -41.765 6.886 -15.773 1.00 48.41 ? 593 GLN A CD 1 ATOM 4202 O OE1 . GLN A 1 570 ? -40.641 7.391 -15.707 1.00 54.71 ? 593 GLN A OE1 1 ATOM 4203 N NE2 . GLN A 1 570 ? -42.036 5.681 -15.276 1.00 43.65 ? 593 GLN A NE2 1 ATOM 4204 N N . HIS A 1 571 ? -45.660 9.169 -17.179 1.00 29.58 ? 594 HIS A N 1 ATOM 4205 C CA . HIS A 1 571 ? -46.764 9.562 -16.312 1.00 32.58 ? 594 HIS A CA 1 ATOM 4206 C C . HIS A 1 571 ? -46.288 9.439 -14.872 1.00 30.99 ? 594 HIS A C 1 ATOM 4207 O O . HIS A 1 571 ? -46.157 8.330 -14.341 1.00 30.12 ? 594 HIS A O 1 ATOM 4208 C CB . HIS A 1 571 ? -47.999 8.707 -16.577 1.00 42.20 ? 594 HIS A CB 1 ATOM 4209 C CG . HIS A 1 571 ? -48.623 8.965 -17.912 1.00 57.59 ? 594 HIS A CG 1 ATOM 4210 N ND1 . HIS A 1 571 ? -48.843 7.968 -18.836 1.00 60.78 ? 594 HIS A ND1 1 ATOM 4211 C CD2 . HIS A 1 571 ? -49.069 10.111 -18.481 1.00 63.62 ? 594 HIS A CD2 1 ATOM 4212 C CE1 . HIS A 1 571 ? -49.403 8.488 -19.914 1.00 66.49 ? 594 HIS A CE1 1 ATOM 4213 N NE2 . HIS A 1 571 ? -49.548 9.787 -19.726 1.00 66.80 ? 594 HIS A NE2 1 ATOM 4214 N N . SER A 1 572 ? -46.006 10.568 -14.240 1.00 26.47 ? 595 SER A N 1 ATOM 4215 C CA . SER A 1 572 ? -45.424 10.536 -12.911 1.00 32.43 ? 595 SER A CA 1 ATOM 4216 C C . SER A 1 572 ? -46.001 11.688 -12.102 1.00 34.56 ? 595 SER A C 1 ATOM 4217 O O . SER A 1 572 ? -46.198 12.775 -12.643 1.00 33.18 ? 595 SER A O 1 ATOM 4218 C CB . SER A 1 572 ? -43.898 10.628 -13.009 1.00 35.97 ? 595 SER A CB 1 ATOM 4219 O OG . SER A 1 572 ? -43.298 10.798 -11.743 1.00 47.34 ? 595 SER A OG 1 ATOM 4220 N N . LYS A 1 573 ? -46.298 11.448 -10.825 1.00 27.17 ? 596 LYS A N 1 ATOM 4221 C CA . LYS A 1 573 ? -46.620 12.533 -9.909 1.00 27.96 ? 596 LYS A CA 1 ATOM 4222 C C . LYS A 1 573 ? -45.352 12.982 -9.217 1.00 27.04 ? 596 LYS A C 1 ATOM 4223 O O . LYS A 1 573 ? -44.682 12.176 -8.566 1.00 35.85 ? 596 LYS A O 1 ATOM 4224 C CB . LYS A 1 573 ? -47.645 12.110 -8.864 1.00 29.56 ? 596 LYS A CB 1 ATOM 4225 C CG . LYS A 1 573 ? -48.938 11.639 -9.420 1.00 38.51 ? 596 LYS A CG 1 ATOM 4226 C CD . LYS A 1 573 ? -49.729 11.009 -8.295 1.00 40.73 ? 596 LYS A CD 1 ATOM 4227 C CE . LYS A 1 573 ? -51.175 10.944 -8.634 1.00 47.86 ? 596 LYS A CE 1 ATOM 4228 N NZ . LYS A 1 573 ? -51.921 10.362 -7.472 1.00 57.31 ? 596 LYS A NZ 1 ATOM 4229 N N . TYR A 1 574 ? -45.035 14.265 -9.332 1.00 28.85 ? 597 TYR A N 1 ATOM 4230 C CA . TYR A 1 574 ? -43.823 14.791 -8.732 1.00 26.47 ? 597 TYR A CA 1 ATOM 4231 C C . TYR A 1 574 ? -44.009 16.278 -8.457 1.00 27.20 ? 597 TYR A C 1 ATOM 4232 O O . TYR A 1 574 ? -44.922 16.922 -8.973 1.00 28.07 ? 597 TYR A O 1 ATOM 4233 C CB . TYR A 1 574 ? -42.603 14.560 -9.645 1.00 25.53 ? 597 TYR A CB 1 ATOM 4234 C CG . TYR A 1 574 ? -42.656 15.415 -10.884 1.00 25.02 ? 597 TYR A CG 1 ATOM 4235 C CD1 . TYR A 1 574 ? -43.377 15.006 -11.999 1.00 25.20 ? 597 TYR A CD1 1 ATOM 4236 C CD2 . TYR A 1 574 ? -42.022 16.657 -10.927 1.00 24.97 ? 597 TYR A CD2 1 ATOM 4237 C CE1 . TYR A 1 574 ? -43.457 15.802 -13.132 1.00 33.15 ? 597 TYR A CE1 1 ATOM 4238 C CE2 . TYR A 1 574 ? -42.087 17.456 -12.057 1.00 30.90 ? 597 TYR A CE2 1 ATOM 4239 C CZ . TYR A 1 574 ? -42.803 17.026 -13.159 1.00 36.12 ? 597 TYR A CZ 1 ATOM 4240 O OH . TYR A 1 574 ? -42.864 17.824 -14.288 1.00 32.04 ? 597 TYR A OH 1 ATOM 4241 N N . CYS A 1 575 ? -43.119 16.825 -7.646 1.00 29.44 ? 598 CYS A N 1 ATOM 4242 C CA . CYS A 1 575 ? -43.101 18.259 -7.403 1.00 32.82 ? 598 CYS A CA 1 ATOM 4243 C C . CYS A 1 575 ? -41.650 18.696 -7.404 1.00 29.19 ? 598 CYS A C 1 ATOM 4244 O O . CYS A 1 575 ? -40.731 17.878 -7.261 1.00 26.81 ? 598 CYS A O 1 ATOM 4245 C CB . CYS A 1 575 ? -43.740 18.637 -6.073 1.00 35.10 ? 598 CYS A CB 1 ATOM 4246 S SG . CYS A 1 575 ? -42.672 18.085 -4.743 1.00 41.24 ? 598 CYS A SG 1 ATOM 4247 N N . LEU A 1 576 ? -41.444 19.992 -7.574 1.00 27.29 ? 599 LEU A N 1 ATOM 4248 C CA . LEU A 1 576 ? -40.099 20.543 -7.643 1.00 28.05 ? 599 LEU A CA 1 ATOM 4249 C C . LEU A 1 576 ? -39.712 21.096 -6.285 1.00 33.99 ? 599 LEU A C 1 ATOM 4250 O O . LEU A 1 576 ? -40.473 21.865 -5.687 1.00 31.91 ? 599 LEU A O 1 ATOM 4251 C CB . LEU A 1 576 ? -40.005 21.628 -8.715 1.00 27.05 ? 599 LEU A CB 1 ATOM 4252 C CG . LEU A 1 576 ? -40.433 21.237 -10.119 1.00 31.90 ? 599 LEU A CG 1 ATOM 4253 C CD1 . LEU A 1 576 ? -40.831 22.492 -10.903 1.00 35.99 ? 599 LEU A CD1 1 ATOM 4254 C CD2 . LEU A 1 576 ? -39.302 20.501 -10.806 1.00 25.90 ? 599 LEU A CD2 1 ATOM 4255 N N . LEU A 1 577 ? -38.537 20.694 -5.795 1.00 30.56 ? 600 LEU A N 1 ATOM 4256 C CA . LEU A 1 577 ? -37.996 21.207 -4.544 1.00 31.38 ? 600 LEU A CA 1 ATOM 4257 C C . LEU A 1 577 ? -36.861 22.155 -4.898 1.00 34.89 ? 600 LEU A C 1 ATOM 4258 O O . LEU A 1 577 ? -35.827 21.722 -5.409 1.00 25.59 ? 600 LEU A O 1 ATOM 4259 C CB . LEU A 1 577 ? -37.504 20.080 -3.640 1.00 26.33 ? 600 LEU A CB 1 ATOM 4260 C CG . LEU A 1 577 ? -38.535 19.011 -3.308 1.00 26.54 ? 600 LEU A CG 1 ATOM 4261 C CD1 . LEU A 1 577 ? -37.868 17.899 -2.480 1.00 27.17 ? 600 LEU A CD1 1 ATOM 4262 C CD2 . LEU A 1 577 ? -39.747 19.634 -2.595 1.00 28.50 ? 600 LEU A CD2 1 ATOM 4263 N N . HIS A 1 578 ? -37.061 23.439 -4.623 1.00 31.04 ? 601 HIS A N 1 ATOM 4264 C CA . HIS A 1 578 ? -36.058 24.466 -4.896 1.00 32.84 ? 601 HIS A CA 1 ATOM 4265 C C . HIS A 1 578 ? -35.219 24.685 -3.623 1.00 28.44 ? 601 HIS A C 1 ATOM 4266 O O . HIS A 1 578 ? -35.771 24.883 -2.528 1.00 30.89 ? 601 HIS A O 1 ATOM 4267 C CB . HIS A 1 578 ? -36.732 25.777 -5.372 1.00 28.73 ? 601 HIS A CB 1 ATOM 4268 C CG . HIS A 1 578 ? -37.380 25.727 -6.752 1.00 33.21 ? 601 HIS A CG 1 ATOM 4269 N ND1 . HIS A 1 578 ? -38.720 25.456 -6.940 1.00 28.91 ? 601 HIS A ND1 1 ATOM 4270 C CD2 . HIS A 1 578 ? -36.881 25.986 -7.998 1.00 33.56 ? 601 HIS A CD2 1 ATOM 4271 C CE1 . HIS A 1 578 ? -39.012 25.525 -8.234 1.00 48.58 ? 601 HIS A CE1 1 ATOM 4272 N NE2 . HIS A 1 578 ? -37.920 25.866 -8.907 1.00 28.20 ? 601 HIS A NE2 1 ATOM 4273 N N . GLN A 1 579 ? -33.902 24.690 -3.824 1.00 29.05 ? 602 GLN A N 1 ATOM 4274 C CA . GLN A 1 579 ? -32.908 24.920 -2.785 1.00 28.08 ? 602 GLN A CA 1 ATOM 4275 C C . GLN A 1 579 ? -31.824 25.830 -3.371 1.00 28.18 ? 602 GLN A C 1 ATOM 4276 O O . GLN A 1 579 ? -31.700 25.947 -4.591 1.00 31.32 ? 602 GLN A O 1 ATOM 4277 C CB . GLN A 1 579 ? -32.299 23.599 -2.316 1.00 29.84 ? 602 GLN A CB 1 ATOM 4278 C CG . GLN A 1 579 ? -33.220 22.768 -1.437 1.00 27.40 ? 602 GLN A CG 1 ATOM 4279 C CD . GLN A 1 579 ? -34.120 21.849 -2.241 1.00 33.03 ? 602 GLN A CD 1 ATOM 4280 O OE1 . GLN A 1 579 ? -35.302 21.694 -1.934 1.00 33.15 ? 602 GLN A OE1 1 ATOM 4281 N NE2 . GLN A 1 579 ? -33.562 21.233 -3.277 1.00 27.24 ? 602 GLN A NE2 1 ATOM 4282 N N . THR A 1 580 ? -31.046 26.473 -2.506 1.00 29.41 ? 603 THR A N 1 ATOM 4283 C CA . THR A 1 580 ? -29.982 27.380 -2.931 1.00 35.56 ? 603 THR A CA 1 ATOM 4284 C C . THR A 1 580 ? -29.004 26.689 -3.873 1.00 31.55 ? 603 THR A C 1 ATOM 4285 O O . THR A 1 580 ? -28.692 27.212 -4.949 1.00 31.17 ? 603 THR A O 1 ATOM 4286 C CB . THR A 1 580 ? -29.239 27.923 -1.705 1.00 33.64 ? 603 THR A CB 1 ATOM 4287 O OG1 . THR A 1 580 ? -30.065 28.866 -1.012 1.00 49.09 ? 603 THR A OG1 1 ATOM 4288 C CG2 . THR A 1 580 ? -27.996 28.621 -2.114 1.00 38.54 ? 603 THR A CG2 1 ATOM 4289 N N . LYS A 1 581 ? -28.503 25.516 -3.482 1.00 27.87 ? 604 LYS A N 1 ATOM 4290 C CA . LYS A 1 581 ? -27.426 24.876 -4.226 1.00 32.94 ? 604 LYS A CA 1 ATOM 4291 C C . LYS A 1 581 ? -27.895 23.780 -5.174 1.00 29.02 ? 604 LYS A C 1 ATOM 4292 O O . LYS A 1 581 ? -27.088 23.286 -5.966 1.00 28.23 ? 604 LYS A O 1 ATOM 4293 C CB . LYS A 1 581 ? -26.381 24.296 -3.253 1.00 38.26 ? 604 LYS A CB 1 ATOM 4294 C CG . LYS A 1 581 ? -25.548 25.365 -2.525 1.00 44.67 ? 604 LYS A CG 1 ATOM 4295 C CD . LYS A 1 581 ? -25.107 26.441 -3.504 1.00 45.78 ? 604 LYS A CD 1 ATOM 4296 C CE . LYS A 1 581 ? -24.447 27.611 -2.808 1.00 58.08 ? 604 LYS A CE 1 ATOM 4297 N NZ . LYS A 1 581 ? -23.076 27.286 -2.319 1.00 64.24 ? 604 LYS A NZ 1 ATOM 4298 N N . TYR A 1 582 ? -29.158 23.371 -5.115 1.00 28.29 ? 605 TYR A N 1 ATOM 4299 C CA . TYR A 1 582 ? -29.598 22.261 -5.952 1.00 28.64 ? 605 TYR A CA 1 ATOM 4300 C C . TYR A 1 582 ? -31.112 22.325 -6.055 1.00 31.78 ? 605 TYR A C 1 ATOM 4301 O O . TYR A 1 582 ? -31.786 22.924 -5.206 1.00 29.98 ? 605 TYR A O 1 ATOM 4302 C CB . TYR A 1 582 ? -29.110 20.889 -5.416 1.00 28.04 ? 605 TYR A CB 1 ATOM 4303 C CG . TYR A 1 582 ? -29.806 20.363 -4.179 1.00 24.54 ? 605 TYR A CG 1 ATOM 4304 C CD1 . TYR A 1 582 ? -29.475 20.833 -2.911 1.00 28.12 ? 605 TYR A CD1 1 ATOM 4305 C CD2 . TYR A 1 582 ? -30.800 19.399 -4.277 1.00 28.43 ? 605 TYR A CD2 1 ATOM 4306 C CE1 . TYR A 1 582 ? -30.126 20.359 -1.766 1.00 26.76 ? 605 TYR A CE1 1 ATOM 4307 C CE2 . TYR A 1 582 ? -31.456 18.918 -3.138 1.00 31.07 ? 605 TYR A CE2 1 ATOM 4308 C CZ . TYR A 1 582 ? -31.110 19.396 -1.894 1.00 32.42 ? 605 TYR A CZ 1 ATOM 4309 O OH . TYR A 1 582 ? -31.765 18.914 -0.784 1.00 28.97 ? 605 TYR A OH 1 ATOM 4310 N N . ILE A 1 583 ? -31.633 21.763 -7.147 1.00 29.38 ? 606 ILE A N 1 ATOM 4311 C CA . ILE A 1 583 ? -33.074 21.636 -7.349 1.00 27.14 ? 606 ILE A CA 1 ATOM 4312 C C . ILE A 1 583 ? -33.349 20.186 -7.711 1.00 31.01 ? 606 ILE A C 1 ATOM 4313 O O . ILE A 1 583 ? -32.503 19.524 -8.322 1.00 23.41 ? 606 ILE A O 1 ATOM 4314 C CB . ILE A 1 583 ? -33.584 22.577 -8.452 1.00 25.27 ? 606 ILE A CB 1 ATOM 4315 C CG1 . ILE A 1 583 ? -33.241 24.022 -8.093 1.00 28.93 ? 606 ILE A CG1 1 ATOM 4316 C CG2 . ILE A 1 583 ? -35.076 22.379 -8.664 1.00 24.40 ? 606 ILE A CG2 1 ATOM 4317 C CD1 . ILE A 1 583 ? -33.340 24.963 -9.239 1.00 28.30 ? 606 ILE A CD1 1 ATOM 4318 N N . SER A 1 584 ? -34.521 19.683 -7.300 1.00 25.54 ? 607 SER A N 1 ATOM 4319 C CA . SER A 1 584 ? -34.901 18.306 -7.588 1.00 24.90 ? 607 SER A CA 1 ATOM 4320 C C . SER A 1 584 ? -36.373 18.244 -7.966 1.00 32.40 ? 607 SER A C 1 ATOM 4321 O O . SER A 1 584 ? -37.175 19.107 -7.599 1.00 34.58 ? 607 SER A O 1 ATOM 4322 C CB . SER A 1 584 ? -34.643 17.382 -6.390 1.00 25.78 ? 607 SER A CB 1 ATOM 4323 O OG . SER A 1 584 ? -35.479 17.739 -5.298 1.00 29.72 ? 607 SER A OG 1 ATOM 4324 N N . ALA A 1 585 ? -36.716 17.196 -8.701 1.00 25.94 ? 608 ALA A N 1 ATOM 4325 C CA . ALA A 1 585 ? -38.109 16.800 -8.898 1.00 26.75 ? 608 ALA A CA 1 ATOM 4326 C C . ALA A 1 585 ? -38.363 15.577 -8.016 1.00 30.77 ? 608 ALA A C 1 ATOM 4327 O O . ALA A 1 585 ? -37.929 14.470 -8.336 1.00 33.33 ? 608 ALA A O 1 ATOM 4328 C CB . ALA A 1 585 ? -38.382 16.523 -10.378 1.00 22.41 ? 608 ALA A CB 1 ATOM 4329 N N . TYR A 1 586 ? -39.047 15.780 -6.889 1.00 28.68 ? 609 TYR A N 1 ATOM 4330 C CA . TYR A 1 586 ? -39.357 14.706 -5.959 1.00 27.96 ? 609 TYR A CA 1 ATOM 4331 C C . TYR A 1 586 ? -40.679 14.039 -6.346 1.00 31.29 ? 609 TYR A C 1 ATOM 4332 O O . TYR A 1 586 ? -41.687 14.719 -6.550 1.00 35.78 ? 609 TYR A O 1 ATOM 4333 C CB . TYR A 1 586 ? -39.417 15.238 -4.521 1.00 29.75 ? 609 TYR A CB 1 ATOM 4334 C CG . TYR A 1 586 ? -39.668 14.124 -3.518 1.00 27.88 ? 609 TYR A CG 1 ATOM 4335 C CD1 . TYR A 1 586 ? -40.956 13.705 -3.202 1.00 26.44 ? 609 TYR A CD1 1 ATOM 4336 C CD2 . TYR A 1 586 ? -38.612 13.454 -2.933 1.00 25.16 ? 609 TYR A CD2 1 ATOM 4337 C CE1 . TYR A 1 586 ? -41.165 12.643 -2.308 1.00 26.96 ? 609 TYR A CE1 1 ATOM 4338 C CE2 . TYR A 1 586 ? -38.814 12.413 -2.049 1.00 25.69 ? 609 TYR A CE2 1 ATOM 4339 C CZ . TYR A 1 586 ? -40.080 11.996 -1.736 1.00 27.11 ? 609 TYR A CZ 1 ATOM 4340 O OH . TYR A 1 586 ? -40.223 10.950 -0.834 1.00 27.23 ? 609 TYR A OH 1 ATOM 4341 N N . SER A 1 587 ? -40.677 12.708 -6.427 1.00 33.51 ? 610 SER A N 1 ATOM 4342 C CA . SER A 1 587 ? -41.826 11.952 -6.915 1.00 29.63 ? 610 SER A CA 1 ATOM 4343 C C . SER A 1 587 ? -42.339 11.022 -5.836 1.00 33.14 ? 610 SER A C 1 ATOM 4344 O O . SER A 1 587 ? -41.612 10.131 -5.376 1.00 27.29 ? 610 SER A O 1 ATOM 4345 C CB . SER A 1 587 ? -41.487 11.137 -8.158 1.00 25.72 ? 610 SER A CB 1 ATOM 4346 O OG . SER A 1 587 ? -42.603 10.344 -8.512 1.00 31.06 ? 610 SER A OG 1 ATOM 4347 N N . GLN A 1 588 ? -43.605 11.203 -5.469 1.00 31.03 ? 611 GLN A N 1 ATOM 4348 C CA . GLN A 1 588 ? -44.240 10.288 -4.532 1.00 32.06 ? 611 GLN A CA 1 ATOM 4349 C C . GLN A 1 588 ? -44.361 8.879 -5.101 1.00 30.16 ? 611 GLN A C 1 ATOM 4350 O O . GLN A 1 588 ? -44.464 7.932 -4.329 1.00 28.19 ? 611 GLN A O 1 ATOM 4351 C CB . GLN A 1 588 ? -45.620 10.808 -4.154 1.00 33.11 ? 611 GLN A CB 1 ATOM 4352 C CG . GLN A 1 588 ? -46.584 10.829 -5.318 1.00 29.55 ? 611 GLN A CG 1 ATOM 4353 C CD . GLN A 1 588 ? -47.848 11.622 -5.013 1.00 31.23 ? 611 GLN A CD 1 ATOM 4354 O OE1 . GLN A 1 588 ? -48.938 11.062 -4.904 1.00 39.88 ? 611 GLN A OE1 1 ATOM 4355 N NE2 . GLN A 1 588 ? -47.706 12.931 -4.895 1.00 31.08 ? 611 GLN A NE2 1 ATOM 4356 N N . ASP A 1 589 ? -44.318 8.727 -6.429 1.00 30.63 ? 612 ASP A N 1 ATOM 4357 C CA . ASP A 1 589 ? -44.443 7.401 -7.028 1.00 26.78 ? 612 ASP A CA 1 ATOM 4358 C C . ASP A 1 589 ? -43.276 6.490 -6.668 1.00 30.31 ? 612 ASP A C 1 ATOM 4359 O O . ASP A 1 589 ? -43.419 5.265 -6.711 1.00 29.08 ? 612 ASP A O 1 ATOM 4360 C CB . ASP A 1 589 ? -44.537 7.509 -8.542 1.00 32.23 ? 612 ASP A CB 1 ATOM 4361 C CG . ASP A 1 589 ? -45.826 8.125 -9.011 1.00 29.92 ? 612 ASP A CG 1 ATOM 4362 O OD1 . ASP A 1 589 ? -46.869 7.902 -8.366 1.00 37.68 ? 612 ASP A OD1 1 ATOM 4363 O OD2 . ASP A 1 589 ? -45.792 8.786 -10.067 1.00 31.69 ? 612 ASP A OD2 1 ATOM 4364 N N . ILE A 1 590 ? -42.116 7.051 -6.337 1.00 25.28 ? 613 ILE A N 1 ATOM 4365 C CA . ILE A 1 590 ? -40.952 6.235 -6.017 1.00 24.72 ? 613 ILE A CA 1 ATOM 4366 C C . ILE A 1 590 ? -40.360 6.676 -4.686 1.00 25.05 ? 613 ILE A C 1 ATOM 4367 O O . ILE A 1 590 ? -39.314 6.172 -4.283 1.00 27.15 ? 613 ILE A O 1 ATOM 4368 C CB . ILE A 1 590 ? -39.886 6.301 -7.135 1.00 27.54 ? 613 ILE A CB 1 ATOM 4369 C CG1 . ILE A 1 590 ? -39.544 7.762 -7.474 1.00 24.69 ? 613 ILE A CG1 1 ATOM 4370 C CG2 . ILE A 1 590 ? -40.319 5.531 -8.389 1.00 25.71 ? 613 ILE A CG2 1 ATOM 4371 C CD1 . ILE A 1 590 ? -38.423 7.916 -8.552 1.00 21.64 ? 613 ILE A CD1 1 ATOM 4372 N N . LEU A 1 591 ? -41.014 7.619 -3.994 1.00 25.79 ? 614 LEU A N 1 ATOM 4373 C CA . LEU A 1 591 ? -40.547 8.105 -2.686 1.00 29.41 ? 614 LEU A CA 1 ATOM 4374 C C . LEU A 1 591 ? -39.151 8.720 -2.771 1.00 28.40 ? 614 LEU A C 1 ATOM 4375 O O . LEU A 1 591 ? -38.367 8.605 -1.818 1.00 25.70 ? 614 LEU A O 1 ATOM 4376 C CB . LEU A 1 591 ? -40.528 6.978 -1.639 1.00 29.25 ? 614 LEU A CB 1 ATOM 4377 C CG . LEU A 1 591 ? -41.751 6.127 -1.327 1.00 31.95 ? 614 LEU A CG 1 ATOM 4378 C CD1 . LEU A 1 591 ? -41.460 5.154 -0.162 1.00 32.37 ? 614 LEU A CD1 1 ATOM 4379 C CD2 . LEU A 1 591 ? -42.947 7.014 -0.995 1.00 30.52 ? 614 LEU A CD2 1 ATOM 4380 N N . MET A 1 592 ? -38.818 9.318 -3.907 1.00 24.39 ? 615 MET A N 1 ATOM 4381 C CA . MET A 1 592 ? -37.499 9.896 -4.141 1.00 23.54 ? 615 MET A CA 1 ATOM 4382 C C . MET A 1 592 ? -37.439 10.764 -5.391 1.00 22.82 ? 615 MET A C 1 ATOM 4383 O O . MET A 1 592 ? -38.335 10.779 -6.185 1.00 26.17 ? 615 MET A O 1 ATOM 4384 C CB . MET A 1 592 ? -36.432 8.786 -4.232 1.00 23.02 ? 615 MET A CB 1 ATOM 4385 C CG . MET A 1 592 ? -36.558 7.867 -5.453 1.00 22.24 ? 615 MET A CG 1 ATOM 4386 S SD . MET A 1 592 ? -35.418 6.451 -5.627 1.00 26.66 ? 615 MET A SD 1 ATOM 4387 C CE . MET A 1 592 ? -36.076 5.375 -4.375 1.00 41.73 ? 615 MET A CE 1 ATOM 4388 N N . PRO A 1 593 ? -36.352 11.463 -5.584 1.00 22.31 ? 616 PRO A N 1 ATOM 4389 C CA . PRO A 1 593 ? -36.307 12.311 -6.784 1.00 24.82 ? 616 PRO A CA 1 ATOM 4390 C C . PRO A 1 593 ? -36.277 11.514 -8.085 1.00 22.50 ? 616 PRO A C 1 ATOM 4391 O O . PRO A 1 593 ? -35.613 10.478 -8.200 1.00 28.19 ? 616 PRO A O 1 ATOM 4392 C CB . PRO A 1 593 ? -35.021 13.137 -6.597 1.00 29.23 ? 616 PRO A CB 1 ATOM 4393 C CG . PRO A 1 593 ? -34.764 13.125 -5.122 1.00 22.10 ? 616 PRO A CG 1 ATOM 4394 C CD . PRO A 1 593 ? -35.222 11.743 -4.684 1.00 22.33 ? 616 PRO A CD 1 ATOM 4395 N N . LEU A 1 594 ? -37.022 12.015 -9.078 1.00 21.82 ? 617 LEU A N 1 ATOM 4396 C CA . LEU A 1 594 ? -36.781 11.627 -10.462 1.00 24.32 ? 617 LEU A CA 1 ATOM 4397 C C . LEU A 1 594 ? -35.422 12.131 -10.935 1.00 26.65 ? 617 LEU A C 1 ATOM 4398 O O . LEU A 1 594 ? -34.737 11.464 -11.723 1.00 24.62 ? 617 LEU A O 1 ATOM 4399 C CB . LEU A 1 594 ? -37.872 12.190 -11.364 1.00 24.38 ? 617 LEU A CB 1 ATOM 4400 C CG . LEU A 1 594 ? -39.299 11.851 -10.990 1.00 24.75 ? 617 LEU A CG 1 ATOM 4401 C CD1 . LEU A 1 594 ? -40.234 12.652 -11.907 1.00 26.97 ? 617 LEU A CD1 1 ATOM 4402 C CD2 . LEU A 1 594 ? -39.475 10.325 -11.102 1.00 26.66 ? 617 LEU A CD2 1 ATOM 4403 N N . TRP A 1 595 ? -35.031 13.323 -10.479 1.00 22.42 ? 618 TRP A N 1 ATOM 4404 C CA . TRP A 1 595 ? -33.763 13.920 -10.859 1.00 19.22 ? 618 TRP A CA 1 ATOM 4405 C C . TRP A 1 595 ? -33.420 14.993 -9.844 1.00 24.88 ? 618 TRP A C 1 ATOM 4406 O O . TRP A 1 595 ? -34.287 15.492 -9.112 1.00 22.87 ? 618 TRP A O 1 ATOM 4407 C CB . TRP A 1 595 ? -33.787 14.520 -12.281 1.00 21.42 ? 618 TRP A CB 1 ATOM 4408 C CG . TRP A 1 595 ? -34.952 15.467 -12.582 1.00 20.47 ? 618 TRP A CG 1 ATOM 4409 C CD1 . TRP A 1 595 ? -36.105 15.146 -13.215 1.00 26.32 ? 618 TRP A CD1 1 ATOM 4410 C CD2 . TRP A 1 595 ? -35.037 16.880 -12.294 1.00 25.43 ? 618 TRP A CD2 1 ATOM 4411 N NE1 . TRP A 1 595 ? -36.927 16.250 -13.324 1.00 26.92 ? 618 TRP A NE1 1 ATOM 4412 C CE2 . TRP A 1 595 ? -36.285 17.330 -12.782 1.00 23.62 ? 618 TRP A CE2 1 ATOM 4413 C CE3 . TRP A 1 595 ? -34.175 17.807 -11.683 1.00 27.67 ? 618 TRP A CE3 1 ATOM 4414 C CZ2 . TRP A 1 595 ? -36.710 18.660 -12.660 1.00 28.77 ? 618 TRP A CZ2 1 ATOM 4415 C CZ3 . TRP A 1 595 ? -34.604 19.145 -11.562 1.00 29.11 ? 618 TRP A CZ3 1 ATOM 4416 C CH2 . TRP A 1 595 ? -35.863 19.548 -12.043 1.00 27.38 ? 618 TRP A CH2 1 ATOM 4417 N N . ASN A 1 596 ? -32.127 15.316 -9.814 1.00 19.55 ? 619 ASN A N 1 ATOM 4418 C CA . ASN A 1 596 ? -31.506 16.242 -8.887 1.00 23.88 ? 619 ASN A CA 1 ATOM 4419 C C . ASN A 1 596 ? -30.440 16.974 -9.685 1.00 29.95 ? 619 ASN A C 1 ATOM 4420 O O . ASN A 1 596 ? -29.623 16.316 -10.339 1.00 35.00 ? 619 ASN A O 1 ATOM 4421 C CB . ASN A 1 596 ? -30.879 15.479 -7.704 1.00 26.41 ? 619 ASN A CB 1 ATOM 4422 C CG . ASN A 1 596 ? -29.976 16.354 -6.842 1.00 37.54 ? 619 ASN A CG 1 ATOM 4423 O OD1 . ASN A 1 596 ? -28.953 16.867 -7.303 1.00 39.73 ? 619 ASN A OD1 1 ATOM 4424 N ND2 . ASN A 1 596 ? -30.343 16.508 -5.571 1.00 42.00 ? 619 ASN A ND2 1 ATOM 4425 N N . SER A 1 597 ? -30.427 18.312 -9.634 1.00 28.92 ? 620 SER A N 1 ATOM 4426 C CA . SER A 1 597 ? -29.555 19.085 -10.524 1.00 25.85 ? 620 SER A CA 1 ATOM 4427 C C . SER A 1 597 ? -28.867 20.218 -9.783 1.00 22.02 ? 620 SER A C 1 ATOM 4428 O O . SER A 1 597 ? -29.526 20.996 -9.092 1.00 23.43 ? 620 SER A O 1 ATOM 4429 C CB . SER A 1 597 ? -30.339 19.673 -11.705 1.00 26.55 ? 620 SER A CB 1 ATOM 4430 O OG . SER A 1 597 ? -29.492 20.391 -12.599 1.00 25.18 ? 620 SER A OG 1 ATOM 4431 N N . TYR A 1 598 ? -27.555 20.352 -10.001 1.00 23.54 ? 621 TYR A N 1 ATOM 4432 C CA . TYR A 1 598 ? -26.757 21.383 -9.360 1.00 26.42 ? 621 TYR A CA 1 ATOM 4433 C C . TYR A 1 598 ? -25.543 21.691 -10.220 1.00 31.61 ? 621 TYR A C 1 ATOM 4434 O O . TYR A 1 598 ? -25.069 20.841 -10.985 1.00 21.70 ? 621 TYR A O 1 ATOM 4435 C CB . TYR A 1 598 ? -26.316 20.951 -7.964 1.00 26.94 ? 621 TYR A CB 1 ATOM 4436 C CG . TYR A 1 598 ? -25.472 19.699 -7.926 1.00 22.29 ? 621 TYR A CG 1 ATOM 4437 C CD1 . TYR A 1 598 ? -26.059 18.449 -7.898 1.00 23.58 ? 621 TYR A CD1 1 ATOM 4438 C CD2 . TYR A 1 598 ? -24.075 19.780 -7.887 1.00 23.45 ? 621 TYR A CD2 1 ATOM 4439 C CE1 . TYR A 1 598 ? -25.297 17.306 -7.835 1.00 23.53 ? 621 TYR A CE1 1 ATOM 4440 C CE2 . TYR A 1 598 ? -23.298 18.653 -7.832 1.00 26.68 ? 621 TYR A CE2 1 ATOM 4441 C CZ . TYR A 1 598 ? -23.914 17.406 -7.801 1.00 34.28 ? 621 TYR A CZ 1 ATOM 4442 O OH . TYR A 1 598 ? -23.146 16.261 -7.751 1.00 32.06 ? 621 TYR A OH 1 ATOM 4443 N N . THR A 1 599 ? -25.026 22.913 -10.068 1.00 26.69 ? 622 THR A N 1 ATOM 4444 C CA . THR A 1 599 ? -23.804 23.323 -10.762 1.00 26.40 ? 622 THR A CA 1 ATOM 4445 C C . THR A 1 599 ? -22.682 23.560 -9.759 1.00 25.97 ? 622 THR A C 1 ATOM 4446 O O . THR A 1 599 ? -22.875 24.269 -8.772 1.00 31.14 ? 622 THR A O 1 ATOM 4447 C CB . THR A 1 599 ? -24.030 24.586 -11.576 1.00 27.09 ? 622 THR A CB 1 ATOM 4448 O OG1 . THR A 1 599 ? -25.065 24.342 -12.529 1.00 23.55 ? 622 THR A OG1 1 ATOM 4449 C CG2 . THR A 1 599 ? -22.729 25.016 -12.297 1.00 26.58 ? 622 THR A CG2 1 ATOM 4450 N N . ILE A 1 600 ? -21.517 22.965 -10.007 1.00 25.58 ? 623 ILE A N 1 ATOM 4451 C CA . ILE A 1 600 ? -20.341 23.184 -9.178 1.00 31.98 ? 623 ILE A CA 1 ATOM 4452 C C . ILE A 1 600 ? -19.329 23.976 -9.989 1.00 31.07 ? 623 ILE A C 1 ATOM 4453 O O . ILE A 1 600 ? -19.066 23.655 -11.154 1.00 31.06 ? 623 ILE A O 1 ATOM 4454 C CB . ILE A 1 600 ? -19.725 21.866 -8.663 1.00 38.45 ? 623 ILE A CB 1 ATOM 4455 C CG1 . ILE A 1 600 ? -19.796 20.752 -9.702 1.00 34.04 ? 623 ILE A CG1 1 ATOM 4456 C CG2 . ILE A 1 600 ? -20.423 21.412 -7.404 1.00 46.00 ? 623 ILE A CG2 1 ATOM 4457 C CD1 . ILE A 1 600 ? -19.168 19.444 -9.211 1.00 33.37 ? 623 ILE A CD1 1 ATOM 4458 N N . SER A 1 601 ? -18.749 24.989 -9.366 1.00 30.37 ? 624 SER A N 1 ATOM 4459 C CA . SER A 1 601 ? -17.785 25.858 -10.014 1.00 38.65 ? 624 SER A CA 1 ATOM 4460 C C . SER A 1 601 ? -16.408 25.200 -10.037 1.00 50.72 ? 624 SER A C 1 ATOM 4461 O O . SER A 1 601 ? -16.181 24.146 -9.431 1.00 55.38 ? 624 SER A O 1 ATOM 4462 C CB . SER A 1 601 ? -17.705 27.169 -9.274 1.00 42.91 ? 624 SER A CB 1 ATOM 4463 O OG . SER A 1 601 ? -17.210 26.895 -7.979 1.00 50.11 ? 624 SER A OG 1 ATOM 4464 N N . LYS A 1 602 ? -15.473 25.833 -10.743 1.00 46.05 ? 625 LYS A N 1 ATOM 4465 C CA . LYS A 1 602 ? -14.095 25.357 -10.704 1.00 49.53 ? 625 LYS A CA 1 ATOM 4466 C C . LYS A 1 602 ? -13.506 25.651 -9.332 1.00 61.30 ? 625 LYS A C 1 ATOM 4467 O O . LYS A 1 602 ? -13.476 26.810 -8.901 1.00 60.50 ? 625 LYS A O 1 ATOM 4468 C CB . LYS A 1 602 ? -13.241 26.003 -11.790 1.00 45.31 ? 625 LYS A CB 1 ATOM 4469 C CG . LYS A 1 602 ? -11.779 25.604 -11.669 1.00 42.12 ? 625 LYS A CG 1 ATOM 4470 C CD . LYS A 1 602 ? -10.906 26.314 -12.697 1.00 46.19 ? 625 LYS A CD 1 ATOM 4471 C CE . LYS A 1 602 ? -9.557 25.638 -12.836 1.00 46.54 ? 625 LYS A CE 1 ATOM 4472 N NZ . LYS A 1 602 ? -8.724 26.301 -13.876 1.00 53.08 ? 625 LYS A NZ 1 ATOM 4473 N N . SER A 1 603 ? -13.070 24.587 -8.647 1.00 58.49 ? 626 SER A N 1 ATOM 4474 C CA . SER A 1 603 ? -12.464 24.611 -7.316 1.00 66.78 ? 626 SER A CA 1 ATOM 4475 C C . SER A 1 603 ? -13.466 24.880 -6.198 1.00 72.13 ? 626 SER A C 1 ATOM 4476 O O . SER A 1 603 ? -14.513 25.504 -6.410 1.00 71.36 ? 626 SER A O 1 ATOM 4477 C CB . SER A 1 603 ? -11.328 25.637 -7.235 1.00 71.14 ? 626 SER A CB 1 ATOM 4478 O OG . SER A 1 603 ? -10.609 25.482 -6.020 1.00 72.81 ? 626 SER A OG 1 ATOM 4479 N N . LEU A 1 604 ? -13.127 24.410 -4.999 1.00 75.69 ? 627 LEU A N 1 ATOM 4480 C CA . LEU A 1 604 ? -13.957 24.559 -3.812 1.00 76.49 ? 627 LEU A CA 1 ATOM 4481 C C . LEU A 1 604 ? -13.268 25.525 -2.840 1.00 80.34 ? 627 LEU A C 1 ATOM 4482 O O . LEU A 1 604 ? -13.230 25.316 -1.626 1.00 81.37 ? 627 LEU A O 1 ATOM 4483 C CB . LEU A 1 604 ? -14.209 23.184 -3.170 1.00 74.52 ? 627 LEU A CB 1 ATOM 4484 C CG . LEU A 1 604 ? -15.142 23.035 -1.955 1.00 74.41 ? 627 LEU A CG 1 ATOM 4485 C CD1 . LEU A 1 604 ? -16.273 24.064 -1.976 1.00 72.72 ? 627 LEU A CD1 1 ATOM 4486 C CD2 . LEU A 1 604 ? -15.692 21.617 -1.838 1.00 73.82 ? 627 LEU A CD2 1 ATOM 4487 N N . PRO A 1 612 ? -19.082 16.078 5.322 1.00 88.91 ? 635 PRO A N 1 ATOM 4488 C CA . PRO A 1 612 ? -19.384 14.661 5.112 1.00 87.28 ? 635 PRO A CA 1 ATOM 4489 C C . PRO A 1 612 ? -20.062 14.025 6.321 1.00 87.77 ? 635 PRO A C 1 ATOM 4490 O O . PRO A 1 612 ? -19.556 13.050 6.881 1.00 93.95 ? 635 PRO A O 1 ATOM 4491 C CB . PRO A 1 612 ? -18.003 14.051 4.870 1.00 86.00 ? 635 PRO A CB 1 ATOM 4492 C CG . PRO A 1 612 ? -17.021 15.001 5.592 1.00 88.05 ? 635 PRO A CG 1 ATOM 4493 C CD . PRO A 1 612 ? -17.791 16.244 6.009 1.00 90.11 ? 635 PRO A CD 1 ATOM 4494 N N . SER A 1 613 ? -21.188 14.602 6.732 1.00 83.21 ? 636 SER A N 1 ATOM 4495 C CA . SER A 1 613 ? -22.080 13.970 7.693 1.00 80.80 ? 636 SER A CA 1 ATOM 4496 C C . SER A 1 613 ? -23.050 13.090 6.915 1.00 85.12 ? 636 SER A C 1 ATOM 4497 O O . SER A 1 613 ? -23.763 13.581 6.036 1.00 89.46 ? 636 SER A O 1 ATOM 4498 C CB . SER A 1 613 ? -22.844 15.013 8.509 1.00 73.56 ? 636 SER A CB 1 ATOM 4499 O OG . SER A 1 613 ? -21.972 15.962 9.092 1.00 72.09 ? 636 SER A OG 1 ATOM 4500 N N . ALA A 1 614 ? -23.070 11.793 7.217 1.00 81.53 ? 637 ALA A N 1 ATOM 4501 C CA . ALA A 1 614 ? -23.958 10.916 6.465 1.00 78.03 ? 637 ALA A CA 1 ATOM 4502 C C . ALA A 1 614 ? -25.277 10.742 7.208 1.00 79.16 ? 637 ALA A C 1 ATOM 4503 O O . ALA A 1 614 ? -26.301 11.298 6.799 1.00 78.32 ? 637 ALA A O 1 ATOM 4504 C CB . ALA A 1 614 ? -23.294 9.564 6.188 1.00 73.89 ? 637 ALA A CB 1 ATOM 4505 N N . SER A 1 615 ? -25.270 9.982 8.302 1.00 76.66 ? 638 SER A N 1 ATOM 4506 C CA . SER A 1 615 ? -26.464 9.849 9.127 1.00 77.44 ? 638 SER A CA 1 ATOM 4507 C C . SER A 1 615 ? -26.165 10.179 10.582 1.00 79.14 ? 638 SER A C 1 ATOM 4508 O O . SER A 1 615 ? -26.820 9.665 11.494 1.00 87.48 ? 638 SER A O 1 ATOM 4509 C CB . SER A 1 615 ? -27.084 8.462 8.983 1.00 77.56 ? 638 SER A CB 1 ATOM 4510 O OG . SER A 1 615 ? -27.970 8.450 7.876 1.00 75.73 ? 638 SER A OG 1 ATOM 4511 N N . ASP A 1 616 ? -25.159 11.029 10.807 1.00 84.22 ? 639 ASP A N 1 ATOM 4512 C CA . ASP A 1 616 ? -25.092 11.785 12.053 1.00 72.43 ? 639 ASP A CA 1 ATOM 4513 C C . ASP A 1 616 ? -26.204 12.818 12.111 1.00 56.86 ? 639 ASP A C 1 ATOM 4514 O O . ASP A 1 616 ? -26.691 13.168 13.193 1.00 56.42 ? 639 ASP A O 1 ATOM 4515 C CB . ASP A 1 616 ? -23.742 12.484 12.166 1.00 72.48 ? 639 ASP A CB 1 ATOM 4516 C CG . ASP A 1 616 ? -23.151 12.392 13.541 1.00 77.24 ? 639 ASP A CG 1 ATOM 4517 O OD1 . ASP A 1 616 ? -23.901 12.153 14.496 1.00 78.28 ? 639 ASP A OD1 1 ATOM 4518 O OD2 . ASP A 1 616 ? -21.929 12.564 13.659 1.00 79.45 ? 639 ASP A OD2 1 ATOM 4519 N N . CYS A 1 617 ? -26.611 13.311 10.952 1.00 59.05 ? 640 CYS A N 1 ATOM 4520 C CA . CYS A 1 617 ? -27.569 14.401 10.852 1.00 49.36 ? 640 CYS A CA 1 ATOM 4521 C C . CYS A 1 617 ? -28.443 14.136 9.636 1.00 41.29 ? 640 CYS A C 1 ATOM 4522 O O . CYS A 1 617 ? -27.947 14.098 8.503 1.00 38.68 ? 640 CYS A O 1 ATOM 4523 C CB . CYS A 1 617 ? -26.863 15.747 10.741 1.00 43.85 ? 640 CYS A CB 1 ATOM 4524 S SG . CYS A 1 617 ? -27.999 17.065 10.281 1.00 48.70 ? 640 CYS A SG 1 ATOM 4525 N N . LEU A 1 618 ? -29.732 13.920 9.880 1.00 35.33 ? 641 LEU A N 1 ATOM 4526 C CA . LEU A 1 618 ? -30.706 13.794 8.808 1.00 40.06 ? 641 LEU A CA 1 ATOM 4527 C C . LEU A 1 618 ? -32.074 14.059 9.405 1.00 39.54 ? 641 LEU A C 1 ATOM 4528 O O . LEU A 1 618 ? -32.315 13.759 10.575 1.00 36.40 ? 641 LEU A O 1 ATOM 4529 C CB . LEU A 1 618 ? -30.655 12.418 8.122 1.00 35.41 ? 641 LEU A CB 1 ATOM 4530 C CG . LEU A 1 618 ? -31.634 12.150 6.964 1.00 40.22 ? 641 LEU A CG 1 ATOM 4531 C CD1 . LEU A 1 618 ? -31.276 12.880 5.679 1.00 37.47 ? 641 LEU A CD1 1 ATOM 4532 C CD2 . LEU A 1 618 ? -31.680 10.680 6.642 1.00 42.63 ? 641 LEU A CD2 1 ATOM 4533 N N . ARG A 1 619 ? -32.959 14.641 8.605 1.00 37.97 ? 642 ARG A N 1 ATOM 4534 C CA . ARG A 1 619 ? -34.276 14.975 9.118 1.00 36.19 ? 642 ARG A CA 1 ATOM 4535 C C . ARG A 1 619 ? -35.275 14.877 7.981 1.00 36.16 ? 642 ARG A C 1 ATOM 4536 O O . ARG A 1 619 ? -34.914 14.961 6.805 1.00 37.76 ? 642 ARG A O 1 ATOM 4537 C CB . ARG A 1 619 ? -34.292 16.378 9.744 1.00 34.65 ? 642 ARG A CB 1 ATOM 4538 C CG . ARG A 1 619 ? -34.124 17.501 8.735 1.00 33.79 ? 642 ARG A CG 1 ATOM 4539 C CD . ARG A 1 619 ? -33.906 18.819 9.428 1.00 34.78 ? 642 ARG A CD 1 ATOM 4540 N NE . ARG A 1 619 ? -34.105 19.918 8.495 1.00 34.23 ? 642 ARG A NE 1 ATOM 4541 C CZ . ARG A 1 619 ? -33.178 20.339 7.642 1.00 34.47 ? 642 ARG A CZ 1 ATOM 4542 N NH1 . ARG A 1 619 ? -31.983 19.753 7.617 1.00 33.00 ? 642 ARG A NH1 1 ATOM 4543 N NH2 . ARG A 1 619 ? -33.444 21.338 6.810 1.00 33.05 ? 642 ARG A NH2 1 ATOM 4544 N N . LEU A 1 620 ? -36.540 14.711 8.349 1.00 33.59 ? 643 LEU A N 1 ATOM 4545 C CA . LEU A 1 620 ? -37.605 14.751 7.369 1.00 33.01 ? 643 LEU A CA 1 ATOM 4546 C C . LEU A 1 620 ? -37.679 16.125 6.701 1.00 32.60 ? 643 LEU A C 1 ATOM 4547 O O . LEU A 1 620 ? -37.272 17.155 7.252 1.00 33.17 ? 643 LEU A O 1 ATOM 4548 C CB . LEU A 1 620 ? -38.941 14.397 8.022 1.00 34.18 ? 643 LEU A CB 1 ATOM 4549 C CG . LEU A 1 620 ? -39.429 15.407 9.072 1.00 40.97 ? 643 LEU A CG 1 ATOM 4550 C CD1 . LEU A 1 620 ? -40.367 16.456 8.448 1.00 35.56 ? 643 LEU A CD1 1 ATOM 4551 C CD2 . LEU A 1 620 ? -40.084 14.705 10.274 1.00 37.04 ? 643 LEU A CD2 1 ATOM 4552 N N . ASP A 1 621 ? -38.246 16.118 5.511 1.00 31.76 ? 644 ASP A N 1 ATOM 4553 C CA . ASP A 1 621 ? -38.522 17.314 4.733 1.00 34.87 ? 644 ASP A CA 1 ATOM 4554 C C . ASP A 1 621 ? -39.979 17.708 4.977 1.00 32.52 ? 644 ASP A C 1 ATOM 4555 O O . ASP A 1 621 ? -40.885 16.930 4.681 1.00 33.28 ? 644 ASP A O 1 ATOM 4556 C CB . ASP A 1 621 ? -38.250 17.013 3.258 1.00 30.08 ? 644 ASP A CB 1 ATOM 4557 C CG . ASP A 1 621 ? -38.370 18.235 2.361 1.00 36.98 ? 644 ASP A CG 1 ATOM 4558 O OD1 . ASP A 1 621 ? -38.946 19.259 2.790 1.00 35.49 ? 644 ASP A OD1 1 ATOM 4559 O OD2 . ASP A 1 621 ? -37.861 18.164 1.216 1.00 35.06 ? 644 ASP A OD2 1 ATOM 4560 N N . VAL A 1 622 ? -40.206 18.906 5.514 1.00 35.49 ? 645 VAL A N 1 ATOM 4561 C CA . VAL A 1 622 ? -41.575 19.309 5.845 1.00 38.13 ? 645 VAL A CA 1 ATOM 4562 C C . VAL A 1 622 ? -42.433 19.601 4.623 1.00 37.56 ? 645 VAL A C 1 ATOM 4563 O O . VAL A 1 622 ? -43.659 19.737 4.750 1.00 38.87 ? 645 VAL A O 1 ATOM 4564 C CB . VAL A 1 622 ? -41.564 20.526 6.785 1.00 36.50 ? 645 VAL A CB 1 ATOM 4565 C CG1 . VAL A 1 622 ? -41.049 20.113 8.154 1.00 39.11 ? 645 VAL A CG1 1 ATOM 4566 C CG2 . VAL A 1 622 ? -40.715 21.660 6.205 1.00 35.34 ? 645 VAL A CG2 1 ATOM 4567 N N . ARG A 1 623 ? -41.832 19.684 3.441 1.00 36.60 ? 646 ARG A N 1 ATOM 4568 C CA . ARG A 1 623 ? -42.615 19.903 2.231 1.00 34.72 ? 646 ARG A CA 1 ATOM 4569 C C . ARG A 1 623 ? -43.204 18.630 1.650 1.00 33.33 ? 646 ARG A C 1 ATOM 4570 O O . ARG A 1 623 ? -44.052 18.720 0.758 1.00 36.72 ? 646 ARG A O 1 ATOM 4571 C CB . ARG A 1 623 ? -41.769 20.607 1.169 1.00 31.81 ? 646 ARG A CB 1 ATOM 4572 C CG . ARG A 1 623 ? -41.155 21.913 1.672 1.00 32.36 ? 646 ARG A CG 1 ATOM 4573 C CD . ARG A 1 623 ? -40.024 22.368 0.743 1.00 31.33 ? 646 ARG A CD 1 ATOM 4574 N NE . ARG A 1 623 ? -38.928 21.412 0.785 1.00 30.28 ? 646 ARG A NE 1 ATOM 4575 C CZ . ARG A 1 623 ? -37.744 21.537 0.184 1.00 29.62 ? 646 ARG A CZ 1 ATOM 4576 N NH1 . ARG A 1 623 ? -37.415 22.618 -0.547 1.00 29.36 ? 646 ARG A NH1 1 ATOM 4577 N NH2 . ARG A 1 623 ? -36.853 20.547 0.318 1.00 28.97 ? 646 ARG A NH2 1 ATOM 4578 N N . ILE A 1 624 ? -42.805 17.470 2.150 1.00 32.47 ? 647 ILE A N 1 ATOM 4579 C CA . ILE A 1 624 ? -43.224 16.179 1.620 1.00 34.64 ? 647 ILE A CA 1 ATOM 4580 C C . ILE A 1 624 ? -44.142 15.522 2.648 1.00 34.58 ? 647 ILE A C 1 ATOM 4581 O O . ILE A 1 624 ? -43.715 15.277 3.785 1.00 34.41 ? 647 ILE A O 1 ATOM 4582 C CB . ILE A 1 624 ? -42.027 15.267 1.326 1.00 34.13 ? 647 ILE A CB 1 ATOM 4583 C CG1 . ILE A 1 624 ? -40.949 16.008 0.536 1.00 36.53 ? 647 ILE A CG1 1 ATOM 4584 C CG2 . ILE A 1 624 ? -42.505 13.995 0.606 1.00 33.35 ? 647 ILE A CG2 1 ATOM 4585 C CD1 . ILE A 1 624 ? -41.401 16.483 -0.823 1.00 31.53 ? 647 ILE A CD1 1 ATOM 4586 N N . PRO A 1 625 ? -45.376 15.176 2.289 1.00 33.88 ? 648 PRO A N 1 ATOM 4587 C CA . PRO A 1 625 ? -46.212 14.376 3.196 1.00 41.17 ? 648 PRO A CA 1 ATOM 4588 C C . PRO A 1 625 ? -45.533 13.088 3.646 1.00 40.44 ? 648 PRO A C 1 ATOM 4589 O O . PRO A 1 625 ? -44.978 12.340 2.841 1.00 39.01 ? 648 PRO A O 1 ATOM 4590 C CB . PRO A 1 625 ? -47.473 14.067 2.374 1.00 35.64 ? 648 PRO A CB 1 ATOM 4591 C CG . PRO A 1 625 ? -47.540 15.166 1.391 1.00 39.54 ? 648 PRO A CG 1 ATOM 4592 C CD . PRO A 1 625 ? -46.118 15.584 1.094 1.00 36.70 ? 648 PRO A CD 1 ATOM 4593 N N . THR A 1 626 ? -45.625 12.828 4.956 1.00 44.50 ? 649 THR A N 1 ATOM 4594 C CA . THR A 1 626 ? -45.000 11.673 5.602 1.00 42.35 ? 649 THR A CA 1 ATOM 4595 C C . THR A 1 626 ? -45.267 10.358 4.877 1.00 37.29 ? 649 THR A C 1 ATOM 4596 O O . THR A 1 626 ? -44.379 9.503 4.768 1.00 36.97 ? 649 THR A O 1 ATOM 4597 C CB . THR A 1 626 ? -45.523 11.606 7.033 1.00 43.88 ? 649 THR A CB 1 ATOM 4598 O OG1 . THR A 1 626 ? -45.565 12.943 7.547 1.00 49.51 ? 649 THR A OG1 1 ATOM 4599 C CG2 . THR A 1 626 ? -44.618 10.786 7.901 1.00 49.70 ? 649 THR A CG2 1 ATOM 4600 N N . VAL A 1 627 ? -46.501 10.152 4.418 1.00 37.26 ? 650 VAL A N 1 ATOM 4601 C CA . VAL A 1 627 ? -46.842 8.896 3.772 1.00 40.42 ? 650 VAL A CA 1 ATOM 4602 C C . VAL A 1 627 ? -46.157 8.792 2.417 1.00 42.78 ? 650 VAL A C 1 ATOM 4603 O O . VAL A 1 627 ? -46.090 7.704 1.825 1.00 44.43 ? 650 VAL A O 1 ATOM 4604 C CB . VAL A 1 627 ? -48.380 8.783 3.687 1.00 44.34 ? 650 VAL A CB 1 ATOM 4605 C CG1 . VAL A 1 627 ? -48.939 9.844 2.794 1.00 39.46 ? 650 VAL A CG1 1 ATOM 4606 C CG2 . VAL A 1 627 ? -48.815 7.391 3.205 1.00 44.70 ? 650 VAL A CG2 1 ATOM 4607 N N . GLN A 1 628 ? -45.633 9.906 1.911 1.00 39.05 ? 651 GLN A N 1 ATOM 4608 C CA . GLN A 1 628 ? -44.919 9.937 0.643 1.00 40.18 ? 651 GLN A CA 1 ATOM 4609 C C . GLN A 1 628 ? -43.414 10.079 0.831 1.00 34.91 ? 651 GLN A C 1 ATOM 4610 O O . GLN A 1 628 ? -42.705 10.475 -0.109 1.00 31.53 ? 651 GLN A O 1 ATOM 4611 C CB . GLN A 1 628 ? -45.467 11.075 -0.223 1.00 41.30 ? 651 GLN A CB 1 ATOM 4612 C CG . GLN A 1 628 ? -46.948 10.901 -0.523 1.00 41.16 ? 651 GLN A CG 1 ATOM 4613 C CD . GLN A 1 628 ? -47.540 12.102 -1.227 1.00 46.92 ? 651 GLN A CD 1 ATOM 4614 O OE1 . GLN A 1 628 ? -47.038 13.223 -1.099 1.00 52.27 ? 651 GLN A OE1 1 ATOM 4615 N NE2 . GLN A 1 628 ? -48.631 11.883 -1.958 1.00 44.63 ? 651 GLN A NE2 1 ATOM 4616 N N . SER A 1 629 ? -42.914 9.749 2.017 1.00 31.16 ? 652 SER A N 1 ATOM 4617 C CA . SER A 1 629 ? -41.537 9.994 2.394 1.00 31.53 ? 652 SER A CA 1 ATOM 4618 C C . SER A 1 629 ? -40.827 8.713 2.804 1.00 35.83 ? 652 SER A C 1 ATOM 4619 O O . SER A 1 629 ? -41.421 7.803 3.383 1.00 36.28 ? 652 SER A O 1 ATOM 4620 C CB . SER A 1 629 ? -41.476 10.984 3.548 1.00 38.87 ? 652 SER A CB 1 ATOM 4621 O OG . SER A 1 629 ? -42.373 12.046 3.313 1.00 48.09 ? 652 SER A OG 1 ATOM 4622 N N . GLN A 1 630 ? -39.544 8.675 2.489 1.00 34.59 ? 653 GLN A N 1 ATOM 4623 C CA . GLN A 1 630 ? -38.618 7.773 3.131 1.00 37.30 ? 653 GLN A CA 1 ATOM 4624 C C . GLN A 1 630 ? -38.382 8.238 4.559 1.00 35.72 ? 653 GLN A C 1 ATOM 4625 O O . GLN A 1 630 ? -38.311 9.435 4.838 1.00 35.10 ? 653 GLN A O 1 ATOM 4626 C CB . GLN A 1 630 ? -37.291 7.786 2.390 1.00 32.11 ? 653 GLN A CB 1 ATOM 4627 C CG . GLN A 1 630 ? -37.275 7.019 1.114 1.00 27.88 ? 653 GLN A CG 1 ATOM 4628 C CD . GLN A 1 630 ? -35.946 7.151 0.444 1.00 29.36 ? 653 GLN A CD 1 ATOM 4629 O OE1 . GLN A 1 630 ? -34.941 6.637 0.950 1.00 31.66 ? 653 GLN A OE1 1 ATOM 4630 N NE2 . GLN A 1 630 ? -35.923 7.798 -0.722 1.00 25.95 ? 653 GLN A NE2 1 ATOM 4631 N N . THR A 1 631 ? -38.228 7.287 5.466 1.00 39.70 ? 654 THR A N 1 ATOM 4632 C CA . THR A 1 631 ? -37.866 7.611 6.838 1.00 37.86 ? 654 THR A CA 1 ATOM 4633 C C . THR A 1 631 ? -36.533 6.970 7.185 1.00 39.49 ? 654 THR A C 1 ATOM 4634 O O . THR A 1 631 ? -36.118 5.963 6.593 1.00 39.67 ? 654 THR A O 1 ATOM 4635 C CB . THR A 1 631 ? -38.919 7.138 7.845 1.00 36.77 ? 654 THR A CB 1 ATOM 4636 O OG1 . THR A 1 631 ? -38.861 5.717 7.932 1.00 37.90 ? 654 THR A OG1 1 ATOM 4637 C CG2 . THR A 1 631 ? -40.324 7.550 7.436 1.00 35.03 ? 654 THR A CG2 1 ATOM 4638 N N . CYS A 1 632 ? -35.864 7.570 8.164 1.00 34.06 ? 655 CYS A N 1 ATOM 4639 C CA . CYS A 1 632 ? -34.666 6.954 8.710 1.00 37.22 ? 655 CYS A CA 1 ATOM 4640 C C . CYS A 1 632 ? -34.960 5.574 9.279 1.00 41.66 ? 655 CYS A C 1 ATOM 4641 O O . CYS A 1 632 ? -34.120 4.665 9.184 1.00 38.15 ? 655 CYS A O 1 ATOM 4642 C CB . CYS A 1 632 ? -34.070 7.861 9.769 1.00 37.21 ? 655 CYS A CB 1 ATOM 4643 S SG . CYS A 1 632 ? -33.585 9.399 9.044 1.00 44.13 ? 655 CYS A SG 1 ATOM 4644 N N . SER A 1 633 ? -36.149 5.393 9.856 1.00 37.15 ? 656 SER A N 1 ATOM 4645 C CA . SER A 1 633 ? -36.530 4.072 10.335 1.00 38.51 ? 656 SER A CA 1 ATOM 4646 C C . SER A 1 633 ? -36.677 3.075 9.190 1.00 43.58 ? 656 SER A C 1 ATOM 4647 O O . SER A 1 633 ? -36.384 1.890 9.373 1.00 41.70 ? 656 SER A O 1 ATOM 4648 C CB . SER A 1 633 ? -37.812 4.178 11.152 1.00 40.59 ? 656 SER A CB 1 ATOM 4649 O OG . SER A 1 633 ? -37.510 4.699 12.439 1.00 46.27 ? 656 SER A OG 1 ATOM 4650 N N . ASN A 1 634 ? -37.092 3.536 8.000 1.00 43.85 ? 657 ASN A N 1 ATOM 4651 C CA . ASN A 1 634 ? -37.147 2.659 6.831 1.00 36.47 ? 657 ASN A CA 1 ATOM 4652 C C . ASN A 1 634 ? -35.797 2.002 6.558 1.00 35.51 ? 657 ASN A C 1 ATOM 4653 O O . ASN A 1 634 ? -35.741 0.901 5.998 1.00 39.11 ? 657 ASN A O 1 ATOM 4654 C CB . ASN A 1 634 ? -37.587 3.444 5.587 1.00 40.04 ? 657 ASN A CB 1 ATOM 4655 C CG . ASN A 1 634 ? -39.083 3.714 5.537 1.00 40.07 ? 657 ASN A CG 1 ATOM 4656 O OD1 . ASN A 1 634 ? -39.520 4.646 4.859 1.00 38.03 ? 657 ASN A OD1 1 ATOM 4657 N ND2 . ASN A 1 634 ? -39.878 2.877 6.216 1.00 39.77 ? 657 ASN A ND2 1 ATOM 4658 N N . TYR A 1 635 ? -34.700 2.661 6.923 1.00 37.46 ? 658 TYR A N 1 ATOM 4659 C CA . TYR A 1 635 ? -33.359 2.088 6.762 1.00 44.63 ? 658 TYR A CA 1 ATOM 4660 C C . TYR A 1 635 ? -32.924 1.430 8.073 1.00 50.95 ? 658 TYR A C 1 ATOM 4661 O O . TYR A 1 635 ? -32.096 1.934 8.831 1.00 48.91 ? 658 TYR A O 1 ATOM 4662 C CB . TYR A 1 635 ? -32.372 3.159 6.305 1.00 35.46 ? 658 TYR A CB 1 ATOM 4663 C CG . TYR A 1 635 ? -32.635 3.634 4.895 1.00 37.17 ? 658 TYR A CG 1 ATOM 4664 C CD1 . TYR A 1 635 ? -33.639 4.554 4.623 1.00 33.60 ? 658 TYR A CD1 1 ATOM 4665 C CD2 . TYR A 1 635 ? -31.891 3.138 3.822 1.00 33.77 ? 658 TYR A CD2 1 ATOM 4666 C CE1 . TYR A 1 635 ? -33.888 4.970 3.333 1.00 31.52 ? 658 TYR A CE1 1 ATOM 4667 C CE2 . TYR A 1 635 ? -32.132 3.559 2.529 1.00 29.64 ? 658 TYR A CE2 1 ATOM 4668 C CZ . TYR A 1 635 ? -33.127 4.464 2.284 1.00 31.03 ? 658 TYR A CZ 1 ATOM 4669 O OH . TYR A 1 635 ? -33.348 4.868 0.997 1.00 31.01 ? 658 TYR A OH 1 ATOM 4670 N N . GLN A 1 636 ? -33.515 0.276 8.362 1.00 54.29 ? 659 GLN A N 1 ATOM 4671 C CA . GLN A 1 636 ? -33.158 -0.435 9.595 1.00 60.02 ? 659 GLN A CA 1 ATOM 4672 C C . GLN A 1 636 ? -31.737 -0.955 9.555 1.00 64.53 ? 659 GLN A C 1 ATOM 4673 O O . GLN A 1 636 ? -31.176 -1.224 8.516 1.00 65.78 ? 659 GLN A O 1 ATOM 4674 C CB . GLN A 1 636 ? -34.131 -1.518 10.010 1.00 59.07 ? 659 GLN A CB 1 ATOM 4675 C CG . GLN A 1 636 ? -34.688 -2.388 8.938 1.00 67.05 ? 659 GLN A CG 1 ATOM 4676 C CD . GLN A 1 636 ? -36.204 -2.404 8.932 1.00 73.35 ? 659 GLN A CD 1 ATOM 4677 O OE1 . GLN A 1 636 ? -36.860 -1.542 9.523 1.00 76.41 ? 659 GLN A OE1 1 ATOM 4678 N NE2 . GLN A 1 636 ? -36.774 -3.396 8.243 1.00 79.46 ? 659 GLN A NE2 1 ATOM 4679 N N . PRO A 1 637 ? -31.159 -1.077 10.710 1.00 67.95 ? 660 PRO A N 1 ATOM 4680 C CA . PRO A 1 637 ? -29.757 -1.531 10.806 1.00 69.54 ? 660 PRO A CA 1 ATOM 4681 C C . PRO A 1 637 ? -29.410 -2.812 10.035 1.00 72.06 ? 660 PRO A C 1 ATOM 4682 O O . PRO A 1 637 ? -28.449 -2.793 9.265 1.00 71.85 ? 660 PRO A O 1 ATOM 4683 C CB . PRO A 1 637 ? -29.574 -1.697 12.322 1.00 70.05 ? 660 PRO A CB 1 ATOM 4684 C CG . PRO A 1 637 ? -30.471 -0.625 12.910 1.00 72.54 ? 660 PRO A CG 1 ATOM 4685 C CD . PRO A 1 637 ? -31.689 -0.625 12.014 1.00 73.74 ? 660 PRO A CD 1 ATOM 4686 N N . ASP A 1 638 ? -30.130 -3.904 10.241 1.00 70.38 ? 661 ASP A N 1 ATOM 4687 C CA . ASP A 1 638 ? -29.839 -5.155 9.547 1.00 73.44 ? 661 ASP A CA 1 ATOM 4688 C C . ASP A 1 638 ? -30.120 -4.994 8.019 1.00 68.01 ? 661 ASP A C 1 ATOM 4689 O O . ASP A 1 638 ? -31.191 -5.386 7.529 1.00 69.85 ? 661 ASP A O 1 ATOM 4690 C CB . ASP A 1 638 ? -30.639 -6.302 10.214 1.00 79.60 ? 661 ASP A CB 1 ATOM 4691 C CG . ASP A 1 638 ? -32.125 -5.996 10.361 1.00 85.19 ? 661 ASP A CG 1 ATOM 4692 O OD1 . ASP A 1 638 ? -32.514 -5.391 11.387 1.00 86.73 ? 661 ASP A OD1 1 ATOM 4693 O OD2 . ASP A 1 638 ? -32.898 -6.374 9.454 1.00 84.38 ? 661 ASP A OD2 1 ATOM 4694 N N . LEU A 1 639 ? -29.170 -4.414 7.268 1.00 63.90 ? 662 LEU A N 1 ATOM 4695 C CA . LEU A 1 639 ? -29.473 -4.152 5.870 1.00 57.35 ? 662 LEU A CA 1 ATOM 4696 C C . LEU A 1 639 ? -28.197 -4.089 5.036 1.00 52.53 ? 662 LEU A C 1 ATOM 4697 O O . LEU A 1 639 ? -27.129 -3.714 5.526 1.00 62.04 ? 662 LEU A O 1 ATOM 4698 C CB . LEU A 1 639 ? -30.259 -2.839 5.717 1.00 58.10 ? 662 LEU A CB 1 ATOM 4699 C CG . LEU A 1 639 ? -31.418 -2.780 4.713 1.00 59.49 ? 662 LEU A CG 1 ATOM 4700 C CD1 . LEU A 1 639 ? -32.300 -3.995 4.892 1.00 63.95 ? 662 LEU A CD1 1 ATOM 4701 C CD2 . LEU A 1 639 ? -32.243 -1.521 4.925 1.00 59.60 ? 662 LEU A CD2 1 ATOM 4702 N N . ALA A 1 640 ? -28.325 -4.460 3.763 1.00 48.79 ? 663 ALA A N 1 ATOM 4703 C CA . ALA A 1 640 ? -27.288 -4.253 2.760 1.00 40.48 ? 663 ALA A CA 1 ATOM 4704 C C . ALA A 1 640 ? -27.438 -2.913 2.049 1.00 39.88 ? 663 ALA A C 1 ATOM 4705 O O . ALA A 1 640 ? -26.626 -2.580 1.174 1.00 36.92 ? 663 ALA A O 1 ATOM 4706 C CB . ALA A 1 640 ? -27.313 -5.388 1.733 1.00 38.43 ? 663 ALA A CB 1 ATOM 4707 N N . ILE A 1 641 ? -28.458 -2.137 2.409 1.00 40.09 ? 664 ILE A N 1 ATOM 4708 C CA . ILE A 1 641 ? -28.751 -0.858 1.775 1.00 38.96 ? 664 ILE A CA 1 ATOM 4709 C C . ILE A 1 641 ? -28.613 0.253 2.805 1.00 38.83 ? 664 ILE A C 1 ATOM 4710 O O . ILE A 1 641 ? -28.937 0.071 3.983 1.00 31.04 ? 664 ILE A O 1 ATOM 4711 C CB . ILE A 1 641 ? -30.149 -0.863 1.123 1.00 38.35 ? 664 ILE A CB 1 ATOM 4712 C CG1 . ILE A 1 641 ? -30.050 -1.570 -0.235 1.00 48.35 ? 664 ILE A CG1 1 ATOM 4713 C CG2 . ILE A 1 641 ? -30.691 0.564 0.934 1.00 29.64 ? 664 ILE A CG2 1 ATOM 4714 C CD1 . ILE A 1 641 ? -31.228 -1.341 -1.122 1.00 46.78 ? 664 ILE A CD1 1 ATOM 4715 N N . THR A 1 642 ? -28.082 1.380 2.363 1.00 29.22 ? 665 THR A N 1 ATOM 4716 C CA . THR A 1 642 ? -27.903 2.536 3.208 1.00 39.15 ? 665 THR A CA 1 ATOM 4717 C C . THR A 1 642 ? -28.299 3.759 2.400 1.00 32.65 ? 665 THR A C 1 ATOM 4718 O O . THR A 1 642 ? -28.280 3.726 1.167 1.00 29.87 ? 665 THR A O 1 ATOM 4719 C CB . THR A 1 642 ? -26.448 2.676 3.683 1.00 42.82 ? 665 THR A CB 1 ATOM 4720 O OG1 . THR A 1 642 ? -26.328 3.819 4.544 1.00 51.75 ? 665 THR A OG1 1 ATOM 4721 C CG2 . THR A 1 642 ? -25.498 2.844 2.483 1.00 38.23 ? 665 THR A CG2 1 ATOM 4722 N N . PRO A 1 643 ? -28.705 4.837 3.059 1.00 37.58 ? 666 PRO A N 1 ATOM 4723 C CA . PRO A 1 643 ? -29.045 6.056 2.314 1.00 32.70 ? 666 PRO A CA 1 ATOM 4724 C C . PRO A 1 643 ? -27.864 6.640 1.555 1.00 26.67 ? 666 PRO A C 1 ATOM 4725 O O . PRO A 1 643 ? -26.799 6.866 2.112 1.00 34.26 ? 666 PRO A O 1 ATOM 4726 C CB . PRO A 1 643 ? -29.530 7.038 3.394 1.00 34.81 ? 666 PRO A CB 1 ATOM 4727 C CG . PRO A 1 643 ? -29.859 6.173 4.564 1.00 32.49 ? 666 PRO A CG 1 ATOM 4728 C CD . PRO A 1 643 ? -29.036 4.965 4.478 1.00 35.44 ? 666 PRO A CD 1 ATOM 4729 N N . GLY A 1 644 ? -28.064 6.891 0.267 1.00 33.58 ? 667 GLY A N 1 ATOM 4730 C CA . GLY A 1 644 ? -27.119 7.711 -0.504 1.00 30.13 ? 667 GLY A CA 1 ATOM 4731 C C . GLY A 1 644 ? -27.724 9.063 -0.838 1.00 28.06 ? 667 GLY A C 1 ATOM 4732 O O . GLY A 1 644 ? -28.946 9.157 -0.923 1.00 32.09 ? 667 GLY A O 1 ATOM 4733 N N . PHE A 1 645 ? -26.907 10.096 -1.051 1.00 30.93 ? 668 PHE A N 1 ATOM 4734 C CA . PHE A 1 645 ? -27.373 11.446 -1.370 1.00 31.23 ? 668 PHE A CA 1 ATOM 4735 C C . PHE A 1 645 ? -27.193 11.773 -2.861 1.00 30.85 ? 668 PHE A C 1 ATOM 4736 O O . PHE A 1 645 ? -26.153 11.463 -3.457 1.00 27.62 ? 668 PHE A O 1 ATOM 4737 C CB . PHE A 1 645 ? -26.616 12.481 -0.533 1.00 29.79 ? 668 PHE A CB 1 ATOM 4738 C CG . PHE A 1 645 ? -26.900 12.409 0.957 1.00 32.31 ? 668 PHE A CG 1 ATOM 4739 C CD1 . PHE A 1 645 ? -27.979 13.078 1.503 1.00 33.48 ? 668 PHE A CD1 1 ATOM 4740 C CD2 . PHE A 1 645 ? -26.056 11.700 1.811 1.00 35.69 ? 668 PHE A CD2 1 ATOM 4741 C CE1 . PHE A 1 645 ? -28.239 13.035 2.886 1.00 37.85 ? 668 PHE A CE1 1 ATOM 4742 C CE2 . PHE A 1 645 ? -26.291 11.650 3.178 1.00 39.90 ? 668 PHE A CE2 1 ATOM 4743 C CZ . PHE A 1 645 ? -27.392 12.319 3.723 1.00 39.17 ? 668 PHE A CZ 1 ATOM 4744 N N . LEU A 1 646 ? -28.196 12.430 -3.466 1.00 28.42 ? 669 LEU A N 1 ATOM 4745 C CA . LEU A 1 646 ? -28.027 12.819 -4.873 1.00 26.49 ? 669 LEU A CA 1 ATOM 4746 C C . LEU A 1 646 ? -27.228 14.104 -4.986 1.00 34.04 ? 669 LEU A C 1 ATOM 4747 O O . LEU A 1 646 ? -26.196 14.156 -5.665 1.00 32.09 ? 669 LEU A O 1 ATOM 4748 C CB . LEU A 1 646 ? -29.367 12.979 -5.582 1.00 21.90 ? 669 LEU A CB 1 ATOM 4749 C CG . LEU A 1 646 ? -30.101 11.694 -5.956 1.00 28.77 ? 669 LEU A CG 1 ATOM 4750 C CD1 . LEU A 1 646 ? -31.338 11.999 -6.822 1.00 25.67 ? 669 LEU A CD1 1 ATOM 4751 C CD2 . LEU A 1 646 ? -29.155 10.658 -6.625 1.00 29.67 ? 669 LEU A CD2 1 ATOM 4752 N N . TYR A 1 647 ? -27.698 15.160 -4.357 1.00 28.05 ? 670 TYR A N 1 ATOM 4753 C CA . TYR A 1 647 ? -26.832 16.305 -4.194 1.00 27.85 ? 670 TYR A CA 1 ATOM 4754 C C . TYR A 1 647 ? -25.920 16.047 -3.003 1.00 29.31 ? 670 TYR A C 1 ATOM 4755 O O . TYR A 1 647 ? -26.421 15.861 -1.888 1.00 28.28 ? 670 TYR A O 1 ATOM 4756 C CB . TYR A 1 647 ? -27.633 17.572 -3.992 1.00 27.39 ? 670 TYR A CB 1 ATOM 4757 C CG . TYR A 1 647 ? -26.708 18.693 -3.632 1.00 29.93 ? 670 TYR A CG 1 ATOM 4758 C CD1 . TYR A 1 647 ? -25.946 19.331 -4.599 1.00 30.09 ? 670 TYR A CD1 1 ATOM 4759 C CD2 . TYR A 1 647 ? -26.566 19.099 -2.319 1.00 28.47 ? 670 TYR A CD2 1 ATOM 4760 C CE1 . TYR A 1 647 ? -25.080 20.368 -4.252 1.00 33.85 ? 670 TYR A CE1 1 ATOM 4761 C CE2 . TYR A 1 647 ? -25.704 20.118 -1.968 1.00 29.33 ? 670 TYR A CE2 1 ATOM 4762 C CZ . TYR A 1 647 ? -24.968 20.754 -2.928 1.00 32.37 ? 670 TYR A CZ 1 ATOM 4763 O OH . TYR A 1 647 ? -24.109 21.758 -2.533 1.00 33.77 ? 670 TYR A OH 1 ATOM 4764 N N . PRO A 1 648 ? -24.601 15.977 -3.192 1.00 32.63 ? 671 PRO A N 1 ATOM 4765 C CA . PRO A 1 648 ? -23.723 15.530 -2.108 1.00 30.40 ? 671 PRO A CA 1 ATOM 4766 C C . PRO A 1 648 ? -23.583 16.608 -1.053 1.00 33.84 ? 671 PRO A C 1 ATOM 4767 O O . PRO A 1 648 ? -23.241 17.761 -1.371 1.00 37.43 ? 671 PRO A O 1 ATOM 4768 C CB . PRO A 1 648 ? -22.377 15.251 -2.807 1.00 27.94 ? 671 PRO A CB 1 ATOM 4769 C CG . PRO A 1 648 ? -22.690 15.224 -4.291 1.00 29.68 ? 671 PRO A CG 1 ATOM 4770 C CD . PRO A 1 648 ? -23.851 16.182 -4.444 1.00 30.66 ? 671 PRO A CD 1 ATOM 4771 N N . PRO A 1 649 ? -23.850 16.274 0.214 1.00 29.97 ? 672 PRO A N 1 ATOM 4772 C CA . PRO A 1 649 ? -23.665 17.264 1.279 1.00 34.49 ? 672 PRO A CA 1 ATOM 4773 C C . PRO A 1 649 ? -22.240 17.706 1.405 1.00 47.25 ? 672 PRO A C 1 ATOM 4774 O O . PRO A 1 649 ? -21.989 18.773 1.977 1.00 48.38 ? 672 PRO A O 1 ATOM 4775 C CB . PRO A 1 649 ? -24.126 16.528 2.542 1.00 36.29 ? 672 PRO A CB 1 ATOM 4776 C CG . PRO A 1 649 ? -24.919 15.380 2.069 1.00 37.67 ? 672 PRO A CG 1 ATOM 4777 C CD . PRO A 1 649 ? -24.348 14.996 0.735 1.00 28.65 ? 672 PRO A CD 1 ATOM 4778 N N . ASP A 1 650 ? -21.287 16.927 0.877 1.00 42.55 ? 673 ASP A N 1 ATOM 4779 C CA . ASP A 1 650 ? -19.909 17.350 1.027 1.00 47.24 ? 673 ASP A CA 1 ATOM 4780 C C . ASP A 1 650 ? -19.583 18.526 0.117 1.00 46.61 ? 673 ASP A C 1 ATOM 4781 O O . ASP A 1 650 ? -18.514 19.120 0.267 1.00 49.68 ? 673 ASP A O 1 ATOM 4782 C CB . ASP A 1 650 ? -18.910 16.174 0.843 1.00 50.37 ? 673 ASP A CB 1 ATOM 4783 C CG . ASP A 1 650 ? -19.401 15.034 -0.093 1.00 54.54 ? 673 ASP A CG 1 ATOM 4784 O OD1 . ASP A 1 650 ? -20.358 14.269 0.231 1.00 51.09 ? 673 ASP A OD1 1 ATOM 4785 O OD2 . ASP A 1 650 ? -18.720 14.836 -1.125 1.00 53.80 ? 673 ASP A OD2 1 ATOM 4786 N N . PHE A 1 651 ? -20.509 18.929 -0.758 1.00 46.46 ? 674 PHE A N 1 ATOM 4787 C CA . PHE A 1 651 ? -20.307 20.110 -1.588 1.00 42.05 ? 674 PHE A CA 1 ATOM 4788 C C . PHE A 1 651 ? -20.859 21.394 -0.988 1.00 45.31 ? 674 PHE A C 1 ATOM 4789 O O . PHE A 1 651 ? -20.471 22.482 -1.424 1.00 43.21 ? 674 PHE A O 1 ATOM 4790 C CB . PHE A 1 651 ? -20.945 19.922 -2.964 1.00 35.09 ? 674 PHE A CB 1 ATOM 4791 C CG . PHE A 1 651 ? -20.290 18.853 -3.798 1.00 37.82 ? 674 PHE A CG 1 ATOM 4792 C CD1 . PHE A 1 651 ? -19.092 18.281 -3.410 1.00 33.86 ? 674 PHE A CD1 1 ATOM 4793 C CD2 . PHE A 1 651 ? -20.882 18.433 -4.976 1.00 31.90 ? 674 PHE A CD2 1 ATOM 4794 C CE1 . PHE A 1 651 ? -18.512 17.293 -4.179 1.00 38.73 ? 674 PHE A CE1 1 ATOM 4795 C CE2 . PHE A 1 651 ? -20.300 17.473 -5.752 1.00 33.66 ? 674 PHE A CE2 1 ATOM 4796 C CZ . PHE A 1 651 ? -19.109 16.902 -5.357 1.00 31.52 ? 674 PHE A CZ 1 ATOM 4797 N N . SER A 1 652 ? -21.770 21.318 -0.036 1.00 45.42 ? 675 SER A N 1 ATOM 4798 C CA . SER A 1 652 ? -22.328 22.559 0.470 1.00 50.57 ? 675 SER A CA 1 ATOM 4799 C C . SER A 1 652 ? -21.387 23.161 1.494 1.00 55.25 ? 675 SER A C 1 ATOM 4800 O O . SER A 1 652 ? -20.712 22.444 2.245 1.00 53.67 ? 675 SER A O 1 ATOM 4801 C CB . SER A 1 652 ? -23.715 22.336 1.072 1.00 49.06 ? 675 SER A CB 1 ATOM 4802 O OG . SER A 1 652 ? -24.721 22.583 0.106 1.00 49.45 ? 675 SER A OG 1 ATOM 4803 N N . SER A 1 653 ? -21.319 24.493 1.491 1.00 54.30 ? 676 SER A N 1 ATOM 4804 C CA . SER A 1 653 ? -20.530 25.199 2.489 1.00 61.17 ? 676 SER A CA 1 ATOM 4805 C C . SER A 1 653 ? -20.969 24.787 3.888 1.00 62.21 ? 676 SER A C 1 ATOM 4806 O O . SER A 1 653 ? -22.157 24.571 4.148 1.00 62.00 ? 676 SER A O 1 ATOM 4807 C CB . SER A 1 653 ? -20.681 26.710 2.320 1.00 62.98 ? 676 SER A CB 1 ATOM 4808 O OG . SER A 1 653 ? -21.678 27.209 3.194 1.00 63.44 ? 676 SER A OG 1 ATOM 4809 N N . SER A 1 654 ? -19.996 24.634 4.778 1.00 61.99 ? 677 SER A N 1 ATOM 4810 C CA . SER A 1 654 ? -20.323 24.318 6.154 1.00 63.05 ? 677 SER A CA 1 ATOM 4811 C C . SER A 1 654 ? -21.195 25.429 6.731 1.00 67.89 ? 677 SER A C 1 ATOM 4812 O O . SER A 1 654 ? -21.146 26.582 6.292 1.00 73.37 ? 677 SER A O 1 ATOM 4813 C CB . SER A 1 654 ? -19.043 24.132 6.969 1.00 63.63 ? 677 SER A CB 1 ATOM 4814 O OG . SER A 1 654 ? -18.160 25.223 6.785 1.00 64.16 ? 677 SER A OG 1 ATOM 4815 N N . GLY A 1 655 ? -22.024 25.071 7.700 1.00 64.12 ? 678 GLY A N 1 ATOM 4816 C CA . GLY A 1 655 ? -22.987 26.002 8.229 1.00 59.80 ? 678 GLY A CA 1 ATOM 4817 C C . GLY A 1 655 ? -24.389 25.644 7.778 1.00 53.78 ? 678 GLY A C 1 ATOM 4818 O O . GLY A 1 655 ? -24.676 24.499 7.411 1.00 56.58 ? 678 GLY A O 1 ATOM 4819 N N . PRO A 1 656 ? -25.290 26.626 7.794 1.00 53.28 ? 679 PRO A N 1 ATOM 4820 C CA . PRO A 1 656 ? -26.693 26.336 7.459 1.00 47.50 ? 679 PRO A CA 1 ATOM 4821 C C . PRO A 1 656 ? -26.883 25.730 6.082 1.00 43.93 ? 679 PRO A C 1 ATOM 4822 O O . PRO A 1 656 ? -27.835 24.966 5.877 1.00 39.92 ? 679 PRO A O 1 ATOM 4823 C CB . PRO A 1 656 ? -27.363 27.710 7.565 1.00 47.81 ? 679 PRO A CB 1 ATOM 4824 C CG . PRO A 1 656 ? -26.485 28.501 8.468 1.00 48.20 ? 679 PRO A CG 1 ATOM 4825 C CD . PRO A 1 656 ? -25.092 28.019 8.229 1.00 50.71 ? 679 PRO A CD 1 ATOM 4826 N N . GLU A 1 657 ? -26.008 26.043 5.125 1.00 43.18 ? 680 GLU A N 1 ATOM 4827 C CA . GLU A 1 657 ? -26.170 25.485 3.791 1.00 44.30 ? 680 GLU A CA 1 ATOM 4828 C C . GLU A 1 657 ? -26.223 23.962 3.833 1.00 42.95 ? 680 GLU A C 1 ATOM 4829 O O . GLU A 1 657 ? -27.051 23.347 3.155 1.00 42.23 ? 680 GLU A O 1 ATOM 4830 C CB . GLU A 1 657 ? -25.040 25.955 2.885 1.00 49.35 ? 680 GLU A CB 1 ATOM 4831 C CG . GLU A 1 657 ? -25.454 26.320 1.485 1.00 52.46 ? 680 GLU A CG 1 ATOM 4832 C CD . GLU A 1 657 ? -24.330 27.005 0.738 1.00 55.16 ? 680 GLU A CD 1 ATOM 4833 O OE1 . GLU A 1 657 ? -24.434 28.222 0.476 1.00 58.11 ? 680 GLU A OE1 1 ATOM 4834 O OE2 . GLU A 1 657 ? -23.329 26.319 0.443 1.00 57.95 ? 680 GLU A OE2 1 ATOM 4835 N N . GLN A 1 658 ? -25.365 23.338 4.648 1.00 44.79 ? 681 GLN A N 1 ATOM 4836 C CA . GLN A 1 658 ? -25.279 21.879 4.646 1.00 47.03 ? 681 GLN A CA 1 ATOM 4837 C C . GLN A 1 658 ? -26.567 21.229 5.122 1.00 38.21 ? 681 GLN A C 1 ATOM 4838 O O . GLN A 1 658 ? -26.882 20.107 4.715 1.00 36.71 ? 681 GLN A O 1 ATOM 4839 C CB . GLN A 1 658 ? -24.106 21.411 5.507 1.00 53.39 ? 681 GLN A CB 1 ATOM 4840 C CG . GLN A 1 658 ? -22.891 21.024 4.673 1.00 61.14 ? 681 GLN A CG 1 ATOM 4841 C CD . GLN A 1 658 ? -21.875 20.216 5.452 1.00 67.36 ? 681 GLN A CD 1 ATOM 4842 O OE1 . GLN A 1 658 ? -20.695 20.568 5.496 1.00 75.69 ? 681 GLN A OE1 1 ATOM 4843 N NE2 . GLN A 1 658 ? -22.323 19.121 6.064 1.00 62.06 ? 681 GLN A NE2 1 ATOM 4844 N N . TYR A 1 659 ? -27.329 21.912 5.974 1.00 39.84 ? 682 TYR A N 1 ATOM 4845 C CA . TYR A 1 659 ? -28.609 21.353 6.387 1.00 35.38 ? 682 TYR A CA 1 ATOM 4846 C C . TYR A 1 659 ? -29.560 21.170 5.207 1.00 31.54 ? 682 TYR A C 1 ATOM 4847 O O . TYR A 1 659 ? -30.401 20.268 5.241 1.00 34.38 ? 682 TYR A O 1 ATOM 4848 C CB . TYR A 1 659 ? -29.230 22.231 7.468 1.00 37.81 ? 682 TYR A CB 1 ATOM 4849 C CG . TYR A 1 659 ? -28.486 22.146 8.778 1.00 37.11 ? 682 TYR A CG 1 ATOM 4850 C CD1 . TYR A 1 659 ? -28.192 20.915 9.357 1.00 37.48 ? 682 TYR A CD1 1 ATOM 4851 C CD2 . TYR A 1 659 ? -28.054 23.292 9.421 1.00 40.92 ? 682 TYR A CD2 1 ATOM 4852 C CE1 . TYR A 1 659 ? -27.491 20.840 10.548 1.00 38.19 ? 682 TYR A CE1 1 ATOM 4853 C CE2 . TYR A 1 659 ? -27.371 23.228 10.607 1.00 44.50 ? 682 TYR A CE2 1 ATOM 4854 C CZ . TYR A 1 659 ? -27.086 22.003 11.162 1.00 40.15 ? 682 TYR A CZ 1 ATOM 4855 O OH . TYR A 1 659 ? -26.405 21.968 12.351 1.00 45.81 ? 682 TYR A OH 1 ATOM 4856 N N . ASP A 1 660 ? -29.430 21.989 4.148 1.00 31.68 ? 683 ASP A N 1 ATOM 4857 C CA . ASP A 1 660 ? -30.326 21.879 2.992 1.00 34.17 ? 683 ASP A CA 1 ATOM 4858 C C . ASP A 1 660 ? -30.174 20.559 2.254 1.00 35.50 ? 683 ASP A C 1 ATOM 4859 O O . ASP A 1 660 ? -31.105 20.133 1.558 1.00 32.51 ? 683 ASP A O 1 ATOM 4860 C CB . ASP A 1 660 ? -30.081 22.979 1.970 1.00 30.43 ? 683 ASP A CB 1 ATOM 4861 C CG . ASP A 1 660 ? -30.166 24.352 2.553 1.00 34.44 ? 683 ASP A CG 1 ATOM 4862 O OD1 . ASP A 1 660 ? -30.665 24.521 3.704 1.00 32.94 ? 683 ASP A OD1 1 ATOM 4863 O OD2 . ASP A 1 660 ? -29.699 25.256 1.838 1.00 32.81 ? 683 ASP A OD2 1 ATOM 4864 N N . ALA A 1 661 ? -29.009 19.923 2.355 1.00 33.72 ? 684 ALA A N 1 ATOM 4865 C CA . ALA A 1 661 ? -28.809 18.639 1.708 1.00 27.68 ? 684 ALA A CA 1 ATOM 4866 C C . ALA A 1 661 ? -29.194 17.469 2.600 1.00 30.28 ? 684 ALA A C 1 ATOM 4867 O O . ALA A 1 661 ? -29.545 16.408 2.085 1.00 28.47 ? 684 ALA A O 1 ATOM 4868 C CB . ALA A 1 661 ? -27.352 18.499 1.256 1.00 27.80 ? 684 ALA A CB 1 ATOM 4869 N N . LEU A 1 662 ? -29.210 17.655 3.920 1.00 31.92 ? 685 LEU A N 1 ATOM 4870 C CA . LEU A 1 662 ? -29.387 16.537 4.850 1.00 33.87 ? 685 LEU A CA 1 ATOM 4871 C C . LEU A 1 662 ? -30.860 16.238 5.150 1.00 34.07 ? 685 LEU A C 1 ATOM 4872 O O . LEU A 1 662 ? -31.285 16.174 6.314 1.00 30.72 ? 685 LEU A O 1 ATOM 4873 C CB . LEU A 1 662 ? -28.597 16.830 6.122 1.00 30.65 ? 685 LEU A CB 1 ATOM 4874 C CG . LEU A 1 662 ? -27.097 16.844 5.818 1.00 34.14 ? 685 LEU A CG 1 ATOM 4875 C CD1 . LEU A 1 662 ? -26.277 17.403 6.969 1.00 31.92 ? 685 LEU A CD1 1 ATOM 4876 C CD2 . LEU A 1 662 ? -26.637 15.432 5.436 1.00 30.96 ? 685 LEU A CD2 1 ATOM 4877 N N . ILE A 1 663 ? -31.651 16.020 4.091 1.00 28.66 ? 686 ILE A N 1 ATOM 4878 C CA . ILE A 1 663 ? -33.085 15.786 4.230 1.00 28.95 ? 686 ILE A CA 1 ATOM 4879 C C . ILE A 1 663 ? -33.503 14.530 3.471 1.00 30.25 ? 686 ILE A C 1 ATOM 4880 O O . ILE A 1 663 ? -32.866 14.129 2.495 1.00 31.02 ? 686 ILE A O 1 ATOM 4881 C CB . ILE A 1 663 ? -33.885 17.024 3.768 1.00 32.73 ? 686 ILE A CB 1 ATOM 4882 C CG1 . ILE A 1 663 ? -33.402 17.490 2.399 1.00 31.96 ? 686 ILE A CG1 1 ATOM 4883 C CG2 . ILE A 1 663 ? -33.721 18.190 4.798 1.00 30.17 ? 686 ILE A CG2 1 ATOM 4884 C CD1 . ILE A 1 663 ? -34.157 18.753 1.911 1.00 28.10 ? 686 ILE A CD1 1 ATOM 4885 N N . THR A 1 664 ? -34.573 13.884 3.955 1.00 31.13 ? 687 THR A N 1 ATOM 4886 C CA . THR A 1 664 ? -35.067 12.608 3.431 1.00 28.71 ? 687 THR A CA 1 ATOM 4887 C C . THR A 1 664 ? -35.631 12.705 2.017 1.00 30.49 ? 687 THR A C 1 ATOM 4888 O O . THR A 1 664 ? -36.042 11.685 1.470 1.00 34.17 ? 687 THR A O 1 ATOM 4889 C CB . THR A 1 664 ? -36.137 12.004 4.365 1.00 31.86 ? 687 THR A CB 1 ATOM 4890 O OG1 . THR A 1 664 ? -37.257 12.903 4.505 1.00 30.06 ? 687 THR A OG1 1 ATOM 4891 C CG2 . THR A 1 664 ? -35.542 11.711 5.726 1.00 30.57 ? 687 THR A CG2 1 ATOM 4892 N N . SER A 1 665 ? -35.695 13.884 1.425 1.00 31.11 ? 688 SER A N 1 ATOM 4893 C CA . SER A 1 665 ? -36.054 14.026 0.029 1.00 26.08 ? 688 SER A CA 1 ATOM 4894 C C . SER A 1 665 ? -34.833 14.055 -0.873 1.00 25.58 ? 688 SER A C 1 ATOM 4895 O O . SER A 1 665 ? -34.996 14.176 -2.087 1.00 24.50 ? 688 SER A O 1 ATOM 4896 C CB . SER A 1 665 ? -36.859 15.321 -0.173 1.00 26.50 ? 688 SER A CB 1 ATOM 4897 O OG . SER A 1 665 ? -36.091 16.429 0.251 1.00 26.76 ? 688 SER A OG 1 ATOM 4898 N N . ASN A 1 666 ? -33.624 13.989 -0.298 1.00 25.06 ? 689 ASN A N 1 ATOM 4899 C CA . ASN A 1 666 ? -32.352 14.037 -1.014 1.00 27.46 ? 689 ASN A CA 1 ATOM 4900 C C . ASN A 1 666 ? -31.613 12.701 -0.910 1.00 32.87 ? 689 ASN A C 1 ATOM 4901 O O . ASN A 1 666 ? -30.396 12.646 -1.077 1.00 27.92 ? 689 ASN A O 1 ATOM 4902 C CB . ASN A 1 666 ? -31.488 15.195 -0.482 1.00 28.84 ? 689 ASN A CB 1 ATOM 4903 C CG . ASN A 1 666 ? -30.188 15.391 -1.272 1.00 29.54 ? 689 ASN A CG 1 ATOM 4904 O OD1 . ASN A 1 666 ? -30.152 15.163 -2.486 1.00 30.51 ? 689 ASN A OD1 1 ATOM 4905 N ND2 . ASN A 1 666 ? -29.113 15.813 -0.587 1.00 24.60 ? 689 ASN A ND2 1 ATOM 4906 N N . ILE A 1 667 ? -32.330 11.622 -0.602 1.00 34.48 ? 690 ILE A N 1 ATOM 4907 C CA . ILE A 1 667 ? -31.694 10.329 -0.398 1.00 27.69 ? 690 ILE A CA 1 ATOM 4908 C C . ILE A 1 667 ? -32.287 9.301 -1.343 1.00 25.98 ? 690 ILE A C 1 ATOM 4909 O O . ILE A 1 667 ? -33.475 9.344 -1.702 1.00 25.62 ? 690 ILE A O 1 ATOM 4910 C CB . ILE A 1 667 ? -31.811 9.812 1.053 1.00 33.65 ? 690 ILE A CB 1 ATOM 4911 C CG1 . ILE A 1 667 ? -33.276 9.662 1.472 1.00 31.68 ? 690 ILE A CG1 1 ATOM 4912 C CG2 . ILE A 1 667 ? -31.039 10.688 2.016 1.00 34.47 ? 690 ILE A CG2 1 ATOM 4913 C CD1 . ILE A 1 667 ? -33.404 9.058 2.817 1.00 31.26 ? 690 ILE A CD1 1 ATOM 4914 N N . VAL A 1 668 ? -31.443 8.337 -1.694 1.00 23.35 ? 691 VAL A N 1 ATOM 4915 C CA . VAL A 1 668 ? -31.780 7.242 -2.584 1.00 22.84 ? 691 VAL A CA 1 ATOM 4916 C C . VAL A 1 668 ? -31.230 5.987 -1.920 1.00 23.85 ? 691 VAL A C 1 ATOM 4917 O O . VAL A 1 668 ? -30.159 6.041 -1.290 1.00 26.05 ? 691 VAL A O 1 ATOM 4918 C CB . VAL A 1 668 ? -31.197 7.458 -3.988 1.00 26.45 ? 691 VAL A CB 1 ATOM 4919 C CG1 . VAL A 1 668 ? -31.832 8.690 -4.629 1.00 29.78 ? 691 VAL A CG1 1 ATOM 4920 C CG2 . VAL A 1 668 ? -29.700 7.641 -3.977 1.00 21.49 ? 691 VAL A CG2 1 ATOM 4921 N N . PRO A 1 669 ? -31.924 4.846 -2.015 1.00 25.17 ? 692 PRO A N 1 ATOM 4922 C CA . PRO A 1 669 ? -31.411 3.595 -1.410 1.00 28.40 ? 692 PRO A CA 1 ATOM 4923 C C . PRO A 1 669 ? -30.223 3.074 -2.209 1.00 28.52 ? 692 PRO A C 1 ATOM 4924 O O . PRO A 1 669 ? -30.318 2.842 -3.410 1.00 27.28 ? 692 PRO A O 1 ATOM 4925 C CB . PRO A 1 669 ? -32.602 2.621 -1.480 1.00 25.02 ? 692 PRO A CB 1 ATOM 4926 C CG . PRO A 1 669 ? -33.365 3.135 -2.754 1.00 27.57 ? 692 PRO A CG 1 ATOM 4927 C CD . PRO A 1 669 ? -33.154 4.633 -2.783 1.00 26.40 ? 692 PRO A CD 1 ATOM 4928 N N . MET A 1 670 ? -29.087 2.915 -1.553 1.00 24.99 ? 693 MET A N 1 ATOM 4929 C CA . MET A 1 670 ? -27.883 2.420 -2.213 1.00 27.26 ? 693 MET A CA 1 ATOM 4930 C C . MET A 1 670 ? -27.361 1.182 -1.519 1.00 25.69 ? 693 MET A C 1 ATOM 4931 O O . MET A 1 670 ? -27.244 1.162 -0.295 1.00 28.86 ? 693 MET A O 1 ATOM 4932 C CB . MET A 1 670 ? -26.780 3.477 -2.232 1.00 31.79 ? 693 MET A CB 1 ATOM 4933 C CG . MET A 1 670 ? -27.127 4.623 -3.139 1.00 29.05 ? 693 MET A CG 1 ATOM 4934 S SD . MET A 1 670 ? -25.692 5.690 -3.405 1.00 25.32 ? 693 MET A SD 1 ATOM 4935 C CE . MET A 1 670 ? -26.399 6.856 -4.557 1.00 22.00 ? 693 MET A CE 1 ATOM 4936 N N . TYR A 1 671 ? -27.053 0.147 -2.304 1.00 25.58 ? 694 TYR A N 1 ATOM 4937 C CA . TYR A 1 671 ? -26.212 -0.932 -1.799 1.00 28.93 ? 694 TYR A CA 1 ATOM 4938 C C . TYR A 1 671 ? -24.934 -0.346 -1.231 1.00 29.19 ? 694 TYR A C 1 ATOM 4939 O O . TYR A 1 671 ? -24.372 0.600 -1.784 1.00 35.05 ? 694 TYR A O 1 ATOM 4940 C CB . TYR A 1 671 ? -25.871 -1.936 -2.907 1.00 28.00 ? 694 TYR A CB 1 ATOM 4941 C CG . TYR A 1 671 ? -27.062 -2.725 -3.316 1.00 30.44 ? 694 TYR A CG 1 ATOM 4942 C CD1 . TYR A 1 671 ? -27.743 -3.500 -2.379 1.00 36.26 ? 694 TYR A CD1 1 ATOM 4943 C CD2 . TYR A 1 671 ? -27.535 -2.689 -4.619 1.00 27.98 ? 694 TYR A CD2 1 ATOM 4944 C CE1 . TYR A 1 671 ? -28.845 -4.246 -2.733 1.00 32.06 ? 694 TYR A CE1 1 ATOM 4945 C CE2 . TYR A 1 671 ? -28.646 -3.421 -4.988 1.00 24.89 ? 694 TYR A CE2 1 ATOM 4946 C CZ . TYR A 1 671 ? -29.301 -4.199 -4.032 1.00 34.13 ? 694 TYR A CZ 1 ATOM 4947 O OH . TYR A 1 671 ? -30.413 -4.942 -4.368 1.00 32.61 ? 694 TYR A OH 1 ATOM 4948 N N . LYS A 1 672 ? -24.486 -0.910 -0.115 1.00 34.72 ? 695 LYS A N 1 ATOM 4949 C CA . LYS A 1 672 ? -23.264 -0.419 0.507 1.00 38.01 ? 695 LYS A CA 1 ATOM 4950 C C . LYS A 1 672 ? -22.090 -0.486 -0.452 1.00 31.76 ? 695 LYS A C 1 ATOM 4951 O O . LYS A 1 672 ? -21.276 0.434 -0.494 1.00 32.51 ? 695 LYS A O 1 ATOM 4952 C CB . LYS A 1 672 ? -22.985 -1.198 1.781 1.00 30.27 ? 695 LYS A CB 1 ATOM 4953 C CG . LYS A 1 672 ? -24.165 -1.077 2.677 1.00 46.64 ? 695 LYS A CG 1 ATOM 4954 C CD . LYS A 1 672 ? -23.888 -1.507 4.062 1.00 46.30 ? 695 LYS A CD 1 ATOM 4955 C CE . LYS A 1 672 ? -24.901 -0.858 4.960 1.00 50.21 ? 695 LYS A CE 1 ATOM 4956 N NZ . LYS A 1 672 ? -25.228 -1.967 5.865 1.00 57.73 ? 695 LYS A NZ 1 ATOM 4957 N N . GLU A 1 673 ? -22.013 -1.537 -1.267 1.00 31.49 ? 696 GLU A N 1 ATOM 4958 C CA . GLU A 1 673 ? -20.888 -1.652 -2.182 1.00 27.58 ? 696 GLU A CA 1 ATOM 4959 C C . GLU A 1 673 ? -20.997 -0.671 -3.334 1.00 31.88 ? 696 GLU A C 1 ATOM 4960 O O . GLU A 1 673 ? -19.970 -0.295 -3.916 1.00 26.70 ? 696 GLU A O 1 ATOM 4961 C CB . GLU A 1 673 ? -20.783 -3.081 -2.717 1.00 30.12 ? 696 GLU A CB 1 ATOM 4962 C CG . GLU A 1 673 ? -20.372 -4.071 -1.660 1.00 43.88 ? 696 GLU A CG 1 ATOM 4963 C CD . GLU A 1 673 ? -19.109 -3.627 -0.964 1.00 54.87 ? 696 GLU A CD 1 ATOM 4964 O OE1 . GLU A 1 673 ? -18.034 -3.591 -1.618 1.00 57.52 ? 696 GLU A OE1 1 ATOM 4965 O OE2 . GLU A 1 673 ? -19.205 -3.279 0.232 1.00 61.52 ? 696 GLU A OE2 1 ATOM 4966 N N . PHE A 1 674 ? -22.224 -0.278 -3.700 1.00 29.81 ? 697 PHE A N 1 ATOM 4967 C CA . PHE A 1 674 ? -22.370 0.772 -4.698 1.00 28.11 ? 697 PHE A CA 1 ATOM 4968 C C . PHE A 1 674 ? -22.088 2.136 -4.087 1.00 28.08 ? 697 PHE A C 1 ATOM 4969 O O . PHE A 1 674 ? -21.517 3.011 -4.756 1.00 27.65 ? 697 PHE A O 1 ATOM 4970 C CB . PHE A 1 674 ? -23.764 0.763 -5.316 1.00 22.48 ? 697 PHE A CB 1 ATOM 4971 C CG . PHE A 1 674 ? -23.968 1.841 -6.342 1.00 25.85 ? 697 PHE A CG 1 ATOM 4972 C CD1 . PHE A 1 674 ? -24.433 3.095 -5.972 1.00 24.43 ? 697 PHE A CD1 1 ATOM 4973 C CD2 . PHE A 1 674 ? -23.681 1.612 -7.681 1.00 24.85 ? 697 PHE A CD2 1 ATOM 4974 C CE1 . PHE A 1 674 ? -24.614 4.089 -6.919 1.00 28.59 ? 697 PHE A CE1 1 ATOM 4975 C CE2 . PHE A 1 674 ? -23.869 2.630 -8.641 1.00 23.09 ? 697 PHE A CE2 1 ATOM 4976 C CZ . PHE A 1 674 ? -24.323 3.849 -8.257 1.00 21.10 ? 697 PHE A CZ 1 ATOM 4977 N N . ALA A 1 675 ? -22.539 2.357 -2.843 1.00 24.34 ? 698 ALA A N 1 ATOM 4978 C CA . ALA A 1 675 ? -22.241 3.614 -2.160 1.00 24.63 ? 698 ALA A CA 1 ATOM 4979 C C . ALA A 1 675 ? -20.749 3.867 -2.142 1.00 28.49 ? 698 ALA A C 1 ATOM 4980 O O . ALA A 1 675 ? -20.296 5.009 -2.238 1.00 27.28 ? 698 ALA A O 1 ATOM 4981 C CB . ALA A 1 675 ? -22.771 3.593 -0.722 1.00 34.36 ? 698 ALA A CB 1 ATOM 4982 N N . ARG A 1 676 ? -19.974 2.803 -1.978 1.00 29.50 ? 699 ARG A N 1 ATOM 4983 C CA . ARG A 1 676 ? -18.531 2.937 -1.971 1.00 30.98 ? 699 ARG A CA 1 ATOM 4984 C C . ARG A 1 676 ? -18.042 3.527 -3.290 1.00 35.60 ? 699 ARG A C 1 ATOM 4985 O O . ARG A 1 676 ? -17.242 4.463 -3.308 1.00 30.79 ? 699 ARG A O 1 ATOM 4986 C CB . ARG A 1 676 ? -17.914 1.574 -1.716 1.00 29.93 ? 699 ARG A CB 1 ATOM 4987 C CG . ARG A 1 676 ? -16.469 1.495 -2.040 1.00 37.16 ? 699 ARG A CG 1 ATOM 4988 C CD . ARG A 1 676 ? -15.985 0.051 -1.942 1.00 40.93 ? 699 ARG A CD 1 ATOM 4989 N NE . ARG A 1 676 ? -14.538 -0.054 -1.966 1.00 40.42 ? 699 ARG A NE 1 ATOM 4990 C CZ . ARG A 1 676 ? -13.876 -1.176 -2.258 1.00 42.04 ? 699 ARG A CZ 1 ATOM 4991 N NH1 . ARG A 1 676 ? -14.526 -2.301 -2.570 1.00 41.40 ? 699 ARG A NH1 1 ATOM 4992 N NH2 . ARG A 1 676 ? -12.545 -1.186 -2.255 1.00 39.12 ? 699 ARG A NH2 1 ATOM 4993 N N . LEU A 1 677 ? -18.525 2.988 -4.415 1.00 31.49 ? 700 LEU A N 1 ATOM 4994 C CA . LEU A 1 677 ? -18.264 3.595 -5.715 1.00 29.54 ? 700 LEU A CA 1 ATOM 4995 C C . LEU A 1 677 ? -18.777 5.029 -5.771 1.00 27.65 ? 700 LEU A C 1 ATOM 4996 O O . LEU A 1 677 ? -18.053 5.944 -6.174 1.00 25.66 ? 700 LEU A O 1 ATOM 4997 C CB . LEU A 1 677 ? -18.916 2.740 -6.812 1.00 30.34 ? 700 LEU A CB 1 ATOM 4998 C CG . LEU A 1 677 ? -18.740 3.126 -8.285 1.00 34.23 ? 700 LEU A CG 1 ATOM 4999 C CD1 . LEU A 1 677 ? -18.933 1.880 -9.155 1.00 34.16 ? 700 LEU A CD1 1 ATOM 5000 C CD2 . LEU A 1 677 ? -19.689 4.276 -8.748 1.00 25.59 ? 700 LEU A CD2 1 ATOM 5001 N N . TRP A 1 678 ? -20.045 5.229 -5.401 1.00 24.77 ? 701 TRP A N 1 ATOM 5002 C CA . TRP A 1 678 ? -20.686 6.540 -5.492 1.00 27.36 ? 701 TRP A CA 1 ATOM 5003 C C . TRP A 1 678 ? -19.947 7.597 -4.669 1.00 30.45 ? 701 TRP A C 1 ATOM 5004 O O . TRP A 1 678 ? -19.695 8.712 -5.141 1.00 23.59 ? 701 TRP A O 1 ATOM 5005 C CB . TRP A 1 678 ? -22.126 6.407 -5.006 1.00 27.67 ? 701 TRP A CB 1 ATOM 5006 C CG . TRP A 1 678 ? -22.975 7.633 -5.137 1.00 29.14 ? 701 TRP A CG 1 ATOM 5007 C CD1 . TRP A 1 678 ? -23.360 8.478 -4.143 1.00 30.43 ? 701 TRP A CD1 1 ATOM 5008 C CD2 . TRP A 1 678 ? -23.581 8.118 -6.340 1.00 29.92 ? 701 TRP A CD2 1 ATOM 5009 N NE1 . TRP A 1 678 ? -24.181 9.467 -4.654 1.00 34.58 ? 701 TRP A NE1 1 ATOM 5010 C CE2 . TRP A 1 678 ? -24.323 9.270 -6.001 1.00 31.42 ? 701 TRP A CE2 1 ATOM 5011 C CE3 . TRP A 1 678 ? -23.574 7.684 -7.668 1.00 30.09 ? 701 TRP A CE3 1 ATOM 5012 C CZ2 . TRP A 1 678 ? -25.041 10.004 -6.945 1.00 34.43 ? 701 TRP A CZ2 1 ATOM 5013 C CZ3 . TRP A 1 678 ? -24.288 8.410 -8.606 1.00 35.73 ? 701 TRP A CZ3 1 ATOM 5014 C CH2 . TRP A 1 678 ? -25.009 9.567 -8.237 1.00 32.51 ? 701 TRP A CH2 1 ATOM 5015 N N . ASN A 1 679 ? -19.637 7.282 -3.415 1.00 26.61 ? 702 ASN A N 1 ATOM 5016 C CA . ASN A 1 679 ? -18.980 8.272 -2.565 1.00 32.48 ? 702 ASN A CA 1 ATOM 5017 C C . ASN A 1 679 ? -17.599 8.632 -3.106 1.00 36.89 ? 702 ASN A C 1 ATOM 5018 O O . ASN A 1 679 ? -17.222 9.810 -3.141 1.00 32.13 ? 702 ASN A O 1 ATOM 5019 C CB . ASN A 1 679 ? -18.882 7.748 -1.142 1.00 31.53 ? 702 ASN A CB 1 ATOM 5020 C CG . ASN A 1 679 ? -20.238 7.582 -0.503 1.00 38.98 ? 702 ASN A CG 1 ATOM 5021 O OD1 . ASN A 1 679 ? -21.223 8.171 -0.962 1.00 41.11 ? 702 ASN A OD1 1 ATOM 5022 N ND2 . ASN A 1 679 ? -20.304 6.784 0.563 1.00 37.58 ? 702 ASN A ND2 1 ATOM 5023 N N . TYR A 1 680 ? -16.837 7.629 -3.541 1.00 31.43 ? 703 TYR A N 1 ATOM 5024 C CA . TYR A 1 680 ? -15.535 7.922 -4.127 1.00 35.49 ? 703 TYR A CA 1 ATOM 5025 C C . TYR A 1 680 ? -15.687 8.799 -5.363 1.00 29.31 ? 703 TYR A C 1 ATOM 5026 O O . TYR A 1 680 ? -14.891 9.717 -5.595 1.00 29.41 ? 703 TYR A O 1 ATOM 5027 C CB . TYR A 1 680 ? -14.799 6.622 -4.480 1.00 26.31 ? 703 TYR A CB 1 ATOM 5028 C CG . TYR A 1 680 ? -13.400 6.886 -5.000 1.00 34.30 ? 703 TYR A CG 1 ATOM 5029 C CD1 . TYR A 1 680 ? -12.365 7.219 -4.122 1.00 35.00 ? 703 TYR A CD1 1 ATOM 5030 C CD2 . TYR A 1 680 ? -13.117 6.839 -6.369 1.00 34.03 ? 703 TYR A CD2 1 ATOM 5031 C CE1 . TYR A 1 680 ? -11.080 7.480 -4.592 1.00 37.66 ? 703 TYR A CE1 1 ATOM 5032 C CE2 . TYR A 1 680 ? -11.832 7.093 -6.845 1.00 34.55 ? 703 TYR A CE2 1 ATOM 5033 C CZ . TYR A 1 680 ? -10.830 7.424 -5.955 1.00 36.85 ? 703 TYR A CZ 1 ATOM 5034 O OH . TYR A 1 680 ? -9.563 7.681 -6.410 1.00 45.81 ? 703 TYR A OH 1 ATOM 5035 N N . PHE A 1 681 ? -16.690 8.516 -6.186 1.00 31.15 ? 704 PHE A N 1 ATOM 5036 C CA . PHE A 1 681 ? -16.909 9.330 -7.371 1.00 29.70 ? 704 PHE A CA 1 ATOM 5037 C C . PHE A 1 681 ? -17.203 10.779 -6.995 1.00 33.63 ? 704 PHE A C 1 ATOM 5038 O O . PHE A 1 681 ? -16.579 11.706 -7.530 1.00 27.51 ? 704 PHE A O 1 ATOM 5039 C CB . PHE A 1 681 ? -18.041 8.739 -8.212 1.00 28.84 ? 704 PHE A CB 1 ATOM 5040 C CG . PHE A 1 681 ? -18.620 9.699 -9.229 1.00 27.84 ? 704 PHE A CG 1 ATOM 5041 C CD1 . PHE A 1 681 ? -17.862 10.143 -10.301 1.00 29.55 ? 704 PHE A CD1 1 ATOM 5042 C CD2 . PHE A 1 681 ? -19.932 10.132 -9.121 1.00 27.34 ? 704 PHE A CD2 1 ATOM 5043 C CE1 . PHE A 1 681 ? -18.401 11.033 -11.255 1.00 26.26 ? 704 PHE A CE1 1 ATOM 5044 C CE2 . PHE A 1 681 ? -20.482 11.007 -10.066 1.00 27.36 ? 704 PHE A CE2 1 ATOM 5045 C CZ . PHE A 1 681 ? -19.704 11.460 -11.145 1.00 20.41 ? 704 PHE A CZ 1 ATOM 5046 N N . HIS A 1 682 ? -18.147 11.004 -6.070 1.00 30.59 ? 705 HIS A N 1 ATOM 5047 C CA . HIS A 1 682 ? -18.524 12.391 -5.836 1.00 33.39 ? 705 HIS A CA 1 ATOM 5048 C C . HIS A 1 682 ? -17.563 13.101 -4.890 1.00 26.78 ? 705 HIS A C 1 ATOM 5049 O O . HIS A 1 682 ? -17.409 14.317 -5.009 1.00 30.16 ? 705 HIS A O 1 ATOM 5050 C CB . HIS A 1 682 ? -20.027 12.514 -5.416 1.00 34.00 ? 705 HIS A CB 1 ATOM 5051 C CG . HIS A 1 682 ? -20.390 12.101 -4.005 1.00 37.09 ? 705 HIS A CG 1 ATOM 5052 N ND1 . HIS A 1 682 ? -19.794 12.615 -2.872 1.00 40.96 ? 705 HIS A ND1 1 ATOM 5053 C CD2 . HIS A 1 682 ? -21.404 11.316 -3.557 1.00 38.54 ? 705 HIS A CD2 1 ATOM 5054 C CE1 . HIS A 1 682 ? -20.377 12.115 -1.792 1.00 47.11 ? 705 HIS A CE1 1 ATOM 5055 N NE2 . HIS A 1 682 ? -21.353 11.317 -2.182 1.00 44.55 ? 705 HIS A NE2 1 ATOM 5056 N N . SER A 1 683 ? -16.836 12.378 -4.031 1.00 26.95 ? 706 SER A N 1 ATOM 5057 C CA . SER A 1 683 ? -15.873 13.055 -3.163 1.00 36.44 ? 706 SER A CA 1 ATOM 5058 C C . SER A 1 683 ? -14.528 13.328 -3.845 1.00 36.22 ? 706 SER A C 1 ATOM 5059 O O . SER A 1 683 ? -13.857 14.305 -3.500 1.00 36.73 ? 706 SER A O 1 ATOM 5060 C CB . SER A 1 683 ? -15.620 12.234 -1.900 1.00 32.55 ? 706 SER A CB 1 ATOM 5061 O OG . SER A 1 683 ? -14.787 11.117 -2.216 1.00 41.61 ? 706 SER A OG 1 ATOM 5062 N N . THR A 1 684 ? -14.095 12.476 -4.768 1.00 32.79 ? 707 THR A N 1 ATOM 5063 C CA . THR A 1 684 ? -12.753 12.567 -5.338 1.00 36.49 ? 707 THR A CA 1 ATOM 5064 C C . THR A 1 684 ? -12.747 12.777 -6.844 1.00 36.19 ? 707 THR A C 1 ATOM 5065 O O . THR A 1 684 ? -12.041 13.656 -7.332 1.00 31.72 ? 707 THR A O 1 ATOM 5066 C CB . THR A 1 684 ? -11.953 11.293 -4.999 1.00 39.37 ? 707 THR A CB 1 ATOM 5067 O OG1 . THR A 1 684 ? -12.021 11.061 -3.590 1.00 42.59 ? 707 THR A OG1 1 ATOM 5068 C CG2 . THR A 1 684 ? -10.505 11.431 -5.413 1.00 34.55 ? 707 THR A CG2 1 ATOM 5069 N N . LEU A 1 685 ? -13.495 11.977 -7.609 1.00 34.73 ? 708 LEU A N 1 ATOM 5070 C CA . LEU A 1 685 ? -13.427 12.099 -9.065 1.00 34.41 ? 708 LEU A CA 1 ATOM 5071 C C . LEU A 1 685 ? -14.096 13.380 -9.536 1.00 34.00 ? 708 LEU A C 1 ATOM 5072 O O . LEU A 1 685 ? -13.543 14.118 -10.361 1.00 36.68 ? 708 LEU A O 1 ATOM 5073 C CB . LEU A 1 685 ? -14.077 10.888 -9.741 1.00 32.63 ? 708 LEU A CB 1 ATOM 5074 C CG . LEU A 1 685 ? -13.429 9.539 -9.449 1.00 35.85 ? 708 LEU A CG 1 ATOM 5075 C CD1 . LEU A 1 685 ? -13.970 8.470 -10.390 1.00 38.23 ? 708 LEU A CD1 1 ATOM 5076 C CD2 . LEU A 1 685 ? -11.932 9.649 -9.563 1.00 38.29 ? 708 LEU A CD2 1 ATOM 5077 N N . LEU A 1 686 ? -15.292 13.645 -9.022 1.00 29.89 ? 709 LEU A N 1 ATOM 5078 C CA . LEU A 1 686 ? -16.084 14.782 -9.479 1.00 30.84 ? 709 LEU A CA 1 ATOM 5079 C C . LEU A 1 686 ? -15.371 16.115 -9.276 1.00 33.97 ? 709 LEU A C 1 ATOM 5080 O O . LEU A 1 686 ? -15.343 16.921 -10.221 1.00 33.49 ? 709 LEU A O 1 ATOM 5081 C CB . LEU A 1 686 ? -17.446 14.731 -8.775 1.00 25.39 ? 709 LEU A CB 1 ATOM 5082 C CG . LEU A 1 686 ? -18.629 15.417 -9.438 1.00 32.42 ? 709 LEU A CG 1 ATOM 5083 C CD1 . LEU A 1 686 ? -18.695 15.035 -10.898 1.00 28.55 ? 709 LEU A CD1 1 ATOM 5084 C CD2 . LEU A 1 686 ? -19.914 15.022 -8.717 1.00 34.59 ? 709 LEU A CD2 1 ATOM 5085 N N . PRO A 1 687 ? -14.801 16.428 -8.104 1.00 33.75 ? 710 PRO A N 1 ATOM 5086 C CA . PRO A 1 687 ? -14.017 17.670 -8.001 1.00 41.27 ? 710 PRO A CA 1 ATOM 5087 C C . PRO A 1 687 ? -12.864 17.767 -8.983 1.00 36.55 ? 710 PRO A C 1 ATOM 5088 O O . PRO A 1 687 ? -12.548 18.879 -9.433 1.00 39.10 ? 710 PRO A O 1 ATOM 5089 C CB . PRO A 1 687 ? -13.514 17.646 -6.547 1.00 39.68 ? 710 PRO A CB 1 ATOM 5090 C CG . PRO A 1 687 ? -14.537 16.873 -5.827 1.00 36.96 ? 710 PRO A CG 1 ATOM 5091 C CD . PRO A 1 687 ? -14.925 15.772 -6.788 1.00 31.62 ? 710 PRO A CD 1 ATOM 5092 N N . LYS A 1 688 ? -12.205 16.651 -9.307 1.00 38.98 ? 711 LYS A N 1 ATOM 5093 C CA . LYS A 1 688 ? -11.125 16.682 -10.287 1.00 41.91 ? 711 LYS A CA 1 ATOM 5094 C C . LYS A 1 688 ? -11.665 16.982 -11.682 1.00 38.17 ? 711 LYS A C 1 ATOM 5095 O O . LYS A 1 688 ? -11.097 17.811 -12.409 1.00 34.35 ? 711 LYS A O 1 ATOM 5096 C CB . LYS A 1 688 ? -10.357 15.357 -10.280 1.00 49.14 ? 711 LYS A CB 1 ATOM 5097 C CG . LYS A 1 688 ? -9.394 15.173 -11.477 1.00 58.99 ? 711 LYS A CG 1 ATOM 5098 C CD . LYS A 1 688 ? -8.763 13.760 -11.514 1.00 65.05 ? 711 LYS A CD 1 ATOM 5099 C CE . LYS A 1 688 ? -7.675 13.608 -12.589 1.00 67.47 ? 711 LYS A CE 1 ATOM 5100 N NZ . LYS A 1 688 ? -8.173 13.178 -13.946 1.00 67.72 ? 711 LYS A NZ 1 ATOM 5101 N N . TYR A 1 689 ? -12.750 16.300 -12.075 1.00 30.80 ? 712 TYR A N 1 ATOM 5102 C CA . TYR A 1 689 ? -13.446 16.629 -13.317 1.00 34.74 ? 712 TYR A CA 1 ATOM 5103 C C . TYR A 1 689 ? -13.805 18.112 -13.374 1.00 31.16 ? 712 TYR A C 1 ATOM 5104 O O . TYR A 1 689 ? -13.609 18.770 -14.401 1.00 30.21 ? 712 TYR A O 1 ATOM 5105 C CB . TYR A 1 689 ? -14.715 15.780 -13.468 1.00 39.51 ? 712 TYR A CB 1 ATOM 5106 C CG . TYR A 1 689 ? -14.539 14.407 -14.103 1.00 56.74 ? 712 TYR A CG 1 ATOM 5107 C CD1 . TYR A 1 689 ? -14.062 14.275 -15.412 1.00 67.96 ? 712 TYR A CD1 1 ATOM 5108 C CD2 . TYR A 1 689 ? -14.879 13.239 -13.406 1.00 56.10 ? 712 TYR A CD2 1 ATOM 5109 C CE1 . TYR A 1 689 ? -13.912 13.017 -16.002 1.00 69.81 ? 712 TYR A CE1 1 ATOM 5110 C CE2 . TYR A 1 689 ? -14.733 11.983 -13.984 1.00 58.99 ? 712 TYR A CE2 1 ATOM 5111 C CZ . TYR A 1 689 ? -14.250 11.877 -15.281 1.00 68.93 ? 712 TYR A CZ 1 ATOM 5112 O OH . TYR A 1 689 ? -14.100 10.634 -15.864 1.00 72.27 ? 712 TYR A OH 1 ATOM 5113 N N . ALA A 1 690 ? -14.342 18.652 -12.277 1.00 33.96 ? 713 ALA A N 1 ATOM 5114 C CA . ALA A 1 690 ? -14.795 20.038 -12.280 1.00 34.23 ? 713 ALA A CA 1 ATOM 5115 C C . ALA A 1 690 ? -13.627 21.007 -12.428 1.00 32.88 ? 713 ALA A C 1 ATOM 5116 O O . ALA A 1 690 ? -13.768 22.067 -13.052 1.00 34.82 ? 713 ALA A O 1 ATOM 5117 C CB . ALA A 1 690 ? -15.582 20.333 -11.004 1.00 33.29 ? 713 ALA A CB 1 ATOM 5118 N N . THR A 1 691 ? -12.475 20.678 -11.840 1.00 33.45 ? 714 THR A N 1 ATOM 5119 C CA . THR A 1 691 ? -11.291 21.525 -12.000 1.00 36.20 ? 714 THR A CA 1 ATOM 5120 C C . THR A 1 691 ? -10.769 21.471 -13.429 1.00 38.94 ? 714 THR A C 1 ATOM 5121 O O . THR A 1 691 ? -10.416 22.502 -14.016 1.00 42.02 ? 714 THR A O 1 ATOM 5122 C CB . THR A 1 691 ? -10.196 21.097 -11.029 1.00 38.00 ? 714 THR A CB 1 ATOM 5123 O OG1 . THR A 1 691 ? -10.669 21.242 -9.681 1.00 40.02 ? 714 THR A OG1 1 ATOM 5124 C CG2 . THR A 1 691 ? -8.959 21.958 -11.223 1.00 42.66 ? 714 THR A CG2 1 ATOM 5125 N N . GLU A 1 692 ? -10.714 20.274 -14.002 1.00 33.48 ? 715 GLU A N 1 ATOM 5126 C CA . GLU A 1 692 ? -10.280 20.129 -15.385 1.00 38.98 ? 715 GLU A CA 1 ATOM 5127 C C . GLU A 1 692 ? -11.199 20.869 -16.360 1.00 33.34 ? 715 GLU A C 1 ATOM 5128 O O . GLU A 1 692 ? -10.724 21.481 -17.318 1.00 38.36 ? 715 GLU A O 1 ATOM 5129 C CB . GLU A 1 692 ? -10.220 18.650 -15.743 1.00 37.22 ? 715 GLU A CB 1 ATOM 5130 C CG . GLU A 1 692 ? -9.267 17.857 -14.895 1.00 43.12 ? 715 GLU A CG 1 ATOM 5131 C CD . GLU A 1 692 ? -9.295 16.380 -15.240 1.00 50.46 ? 715 GLU A CD 1 ATOM 5132 O OE1 . GLU A 1 692 ? -10.154 15.952 -16.051 1.00 42.91 ? 715 GLU A OE1 1 ATOM 5133 O OE2 . GLU A 1 692 ? -8.429 15.652 -14.717 1.00 60.00 ? 715 GLU A OE2 1 ATOM 5134 N N . ARG A 1 693 ? -12.509 20.830 -16.135 1.00 28.66 ? 716 ARG A N 1 ATOM 5135 C CA . ARG A 1 693 ? -13.486 21.309 -17.113 1.00 33.70 ? 716 ARG A CA 1 ATOM 5136 C C . ARG A 1 693 ? -14.040 22.695 -16.787 1.00 31.45 ? 716 ARG A C 1 ATOM 5137 O O . ARG A 1 693 ? -14.940 23.175 -17.491 1.00 31.21 ? 716 ARG A O 1 ATOM 5138 C CB . ARG A 1 693 ? -14.626 20.301 -17.250 1.00 27.85 ? 716 ARG A CB 1 ATOM 5139 C CG . ARG A 1 693 ? -14.151 18.944 -17.805 1.00 37.32 ? 716 ARG A CG 1 ATOM 5140 C CD . ARG A 1 693 ? -15.295 17.973 -18.048 1.00 45.46 ? 716 ARG A CD 1 ATOM 5141 N NE . ARG A 1 693 ? -14.790 16.655 -18.457 1.00 51.20 ? 716 ARG A NE 1 ATOM 5142 C CZ . ARG A 1 693 ? -15.436 15.807 -19.249 1.00 45.34 ? 716 ARG A CZ 1 ATOM 5143 N NH1 . ARG A 1 693 ? -14.878 14.647 -19.580 1.00 52.05 ? 716 ARG A NH1 1 ATOM 5144 N NH2 . ARG A 1 693 ? -16.621 16.121 -19.735 1.00 43.27 ? 716 ARG A NH2 1 ATOM 5145 N N . ASN A 1 694 ? -13.488 23.351 -15.766 1.00 28.57 ? 717 ASN A N 1 ATOM 5146 C CA . ASN A 1 694 ? -13.867 24.709 -15.371 1.00 33.34 ? 717 ASN A CA 1 ATOM 5147 C C . ASN A 1 694 ? -15.328 24.753 -14.923 1.00 35.56 ? 717 ASN A C 1 ATOM 5148 O O . ASN A 1 694 ? -16.130 25.558 -15.398 1.00 39.49 ? 717 ASN A O 1 ATOM 5149 C CB . ASN A 1 694 ? -13.584 25.716 -16.490 1.00 35.51 ? 717 ASN A CB 1 ATOM 5150 C CG . ASN A 1 694 ? -13.678 27.140 -16.021 1.00 36.11 ? 717 ASN A CG 1 ATOM 5151 O OD1 . ASN A 1 694 ? -13.729 27.407 -14.824 1.00 36.35 ? 717 ASN A OD1 1 ATOM 5152 N ND2 . ASN A 1 694 ? -13.675 28.071 -16.964 1.00 42.97 ? 717 ASN A ND2 1 ATOM 5153 N N . GLY A 1 695 ? -15.668 23.857 -14.002 1.00 34.47 ? 718 GLY A N 1 ATOM 5154 C CA . GLY A 1 695 ? -17.014 23.729 -13.499 1.00 29.90 ? 718 GLY A CA 1 ATOM 5155 C C . GLY A 1 695 ? -17.784 22.632 -14.213 1.00 30.03 ? 718 GLY A C 1 ATOM 5156 O O . GLY A 1 695 ? -17.433 22.195 -15.305 1.00 27.19 ? 718 GLY A O 1 ATOM 5157 N N . LEU A 1 696 ? -18.863 22.181 -13.567 1.00 25.97 ? 719 LEU A N 1 ATOM 5158 C CA . LEU A 1 696 ? -19.734 21.160 -14.134 1.00 26.51 ? 719 LEU A CA 1 ATOM 5159 C C . LEU A 1 696 ? -21.177 21.394 -13.714 1.00 23.67 ? 719 LEU A C 1 ATOM 5160 O O . LEU A 1 696 ? -21.449 21.635 -12.541 1.00 26.36 ? 719 LEU A O 1 ATOM 5161 C CB . LEU A 1 696 ? -19.342 19.760 -13.675 1.00 28.96 ? 719 LEU A CB 1 ATOM 5162 C CG . LEU A 1 696 ? -18.057 19.156 -14.231 1.00 35.71 ? 719 LEU A CG 1 ATOM 5163 C CD1 . LEU A 1 696 ? -17.741 17.843 -13.470 1.00 32.49 ? 719 LEU A CD1 1 ATOM 5164 C CD2 . LEU A 1 696 ? -18.202 18.959 -15.754 1.00 27.31 ? 719 LEU A CD2 1 ATOM 5165 N N . ASN A 1 697 ? -22.104 21.289 -14.657 1.00 20.78 ? 720 ASN A N 1 ATOM 5166 C CA . ASN A 1 697 ? -23.493 21.084 -14.281 1.00 26.87 ? 720 ASN A CA 1 ATOM 5167 C C . ASN A 1 697 ? -23.741 19.587 -14.150 1.00 29.71 ? 720 ASN A C 1 ATOM 5168 O O . ASN A 1 697 ? -23.339 18.802 -15.021 1.00 30.18 ? 720 ASN A O 1 ATOM 5169 C CB . ASN A 1 697 ? -24.461 21.701 -15.288 1.00 26.83 ? 720 ASN A CB 1 ATOM 5170 C CG . ASN A 1 697 ? -25.916 21.389 -14.939 1.00 27.41 ? 720 ASN A CG 1 ATOM 5171 O OD1 . ASN A 1 697 ? -26.540 20.503 -15.531 1.00 25.90 ? 720 ASN A OD1 1 ATOM 5172 N ND2 . ASN A 1 697 ? -26.442 22.086 -13.933 1.00 23.05 ? 720 ASN A ND2 1 ATOM 5173 N N . VAL A 1 698 ? -24.385 19.198 -13.055 1.00 24.61 ? 721 VAL A N 1 ATOM 5174 C CA . VAL A 1 698 ? -24.605 17.802 -12.700 1.00 20.97 ? 721 VAL A CA 1 ATOM 5175 C C . VAL A 1 698 ? -26.098 17.557 -12.590 1.00 28.17 ? 721 VAL A C 1 ATOM 5176 O O . VAL A 1 698 ? -26.782 18.206 -11.789 1.00 30.13 ? 721 VAL A O 1 ATOM 5177 C CB . VAL A 1 698 ? -23.934 17.446 -11.366 1.00 22.77 ? 721 VAL A CB 1 ATOM 5178 C CG1 . VAL A 1 698 ? -24.117 15.944 -11.065 1.00 19.18 ? 721 VAL A CG1 1 ATOM 5179 C CG2 . VAL A 1 698 ? -22.474 17.871 -11.364 1.00 21.53 ? 721 VAL A CG2 1 ATOM 5180 N N . ILE A 1 699 ? -26.603 16.596 -13.346 1.00 32.45 ? 722 ILE A N 1 ATOM 5181 C CA . ILE A 1 699 ? -27.947 16.098 -13.101 1.00 24.06 ? 722 ILE A CA 1 ATOM 5182 C C . ILE A 1 699 ? -27.859 14.592 -12.931 1.00 22.94 ? 722 ILE A C 1 ATOM 5183 O O . ILE A 1 699 ? -27.183 13.903 -13.717 1.00 19.67 ? 722 ILE A O 1 ATOM 5184 C CB . ILE A 1 699 ? -28.927 16.492 -14.217 1.00 29.80 ? 722 ILE A CB 1 ATOM 5185 C CG1 . ILE A 1 699 ? -30.358 16.074 -13.865 1.00 30.14 ? 722 ILE A CG1 1 ATOM 5186 C CG2 . ILE A 1 699 ? -28.494 15.956 -15.555 1.00 26.47 ? 722 ILE A CG2 1 ATOM 5187 C CD1 . ILE A 1 699 ? -31.353 17.117 -14.304 1.00 27.60 ? 722 ILE A CD1 1 ATOM 5188 N N . SER A 1 700 ? -28.507 14.091 -11.881 1.00 20.42 ? 723 SER A N 1 ATOM 5189 C CA . SER A 1 700 ? -28.415 12.694 -11.489 1.00 21.20 ? 723 SER A CA 1 ATOM 5190 C C . SER A 1 700 ? -29.780 12.178 -11.016 1.00 22.31 ? 723 SER A C 1 ATOM 5191 O O . SER A 1 700 ? -30.691 12.947 -10.699 1.00 24.21 ? 723 SER A O 1 ATOM 5192 C CB . SER A 1 700 ? -27.379 12.509 -10.381 1.00 27.43 ? 723 SER A CB 1 ATOM 5193 O OG . SER A 1 700 ? -27.865 13.060 -9.173 1.00 32.83 ? 723 SER A OG 1 ATOM 5194 N N . GLY A 1 701 ? -29.909 10.858 -10.963 1.00 24.52 ? 724 GLY A N 1 ATOM 5195 C CA . GLY A 1 701 ? -31.147 10.281 -10.520 1.00 24.73 ? 724 GLY A CA 1 ATOM 5196 C C . GLY A 1 701 ? -31.206 8.789 -10.691 1.00 18.99 ? 724 GLY A C 1 ATOM 5197 O O . GLY A 1 701 ? -30.293 8.140 -11.192 1.00 19.57 ? 724 GLY A O 1 ATOM 5198 N N . PRO A 1 702 ? -32.325 8.218 -10.279 1.00 18.69 ? 725 PRO A N 1 ATOM 5199 C CA . PRO A 1 702 ? -32.512 6.764 -10.370 1.00 22.70 ? 725 PRO A CA 1 ATOM 5200 C C . PRO A 1 702 ? -33.083 6.320 -11.704 1.00 19.14 ? 725 PRO A C 1 ATOM 5201 O O . PRO A 1 702 ? -33.800 7.050 -12.379 1.00 19.17 ? 725 PRO A O 1 ATOM 5202 C CB . PRO A 1 702 ? -33.534 6.450 -9.262 1.00 19.16 ? 725 PRO A CB 1 ATOM 5203 C CG . PRO A 1 702 ? -34.367 7.758 -9.246 1.00 19.38 ? 725 PRO A CG 1 ATOM 5204 C CD . PRO A 1 702 ? -33.442 8.868 -9.607 1.00 18.87 ? 725 PRO A CD 1 ATOM 5205 N N . ILE A 1 703 ? -32.785 5.069 -12.052 1.00 21.82 ? 726 ILE A N 1 ATOM 5206 C CA . ILE A 1 703 ? -33.410 4.380 -13.173 1.00 23.66 ? 726 ILE A CA 1 ATOM 5207 C C . ILE A 1 703 ? -33.975 3.067 -12.671 1.00 20.68 ? 726 ILE A C 1 ATOM 5208 O O . ILE A 1 703 ? -33.310 2.350 -11.914 1.00 19.22 ? 726 ILE A O 1 ATOM 5209 C CB . ILE A 1 703 ? -32.400 4.126 -14.318 1.00 23.24 ? 726 ILE A CB 1 ATOM 5210 C CG1 . ILE A 1 703 ? -32.181 5.410 -15.128 1.00 16.33 ? 726 ILE A CG1 1 ATOM 5211 C CG2 . ILE A 1 703 ? -32.879 2.987 -15.214 1.00 16.85 ? 726 ILE A CG2 1 ATOM 5212 C CD1 . ILE A 1 703 ? -30.871 5.367 -16.032 1.00 15.67 ? 726 ILE A CD1 1 ATOM 5213 N N . PHE A 1 704 ? -35.189 2.741 -13.126 1.00 18.62 ? 727 PHE A N 1 ATOM 5214 C CA . PHE A 1 704 ? -35.817 1.449 -12.878 1.00 20.42 ? 727 PHE A CA 1 ATOM 5215 C C . PHE A 1 704 ? -36.030 0.793 -14.239 1.00 20.44 ? 727 PHE A C 1 ATOM 5216 O O . PHE A 1 704 ? -36.906 1.204 -15.002 1.00 22.86 ? 727 PHE A O 1 ATOM 5217 C CB . PHE A 1 704 ? -37.135 1.611 -12.099 1.00 20.32 ? 727 PHE A CB 1 ATOM 5218 C CG . PHE A 1 704 ? -37.010 2.492 -10.878 1.00 22.66 ? 727 PHE A CG 1 ATOM 5219 C CD1 . PHE A 1 704 ? -37.129 3.881 -10.976 1.00 23.84 ? 727 PHE A CD1 1 ATOM 5220 C CD2 . PHE A 1 704 ? -36.695 1.944 -9.648 1.00 21.17 ? 727 PHE A CD2 1 ATOM 5221 C CE1 . PHE A 1 704 ? -36.973 4.714 -9.835 1.00 22.28 ? 727 PHE A CE1 1 ATOM 5222 C CE2 . PHE A 1 704 ? -36.549 2.774 -8.506 1.00 23.33 ? 727 PHE A CE2 1 ATOM 5223 C CZ . PHE A 1 704 ? -36.675 4.154 -8.611 1.00 21.14 ? 727 PHE A CZ 1 ATOM 5224 N N . ASP A 1 705 ? -35.212 -0.177 -14.585 1.00 20.21 ? 728 ASP A N 1 ATOM 5225 C CA . ASP A 1 705 ? -35.453 -0.917 -15.812 1.00 18.82 ? 728 ASP A CA 1 ATOM 5226 C C . ASP A 1 705 ? -35.504 -2.416 -15.519 1.00 22.52 ? 728 ASP A C 1 ATOM 5227 O O . ASP A 1 705 ? -34.689 -3.208 -16.020 1.00 22.83 ? 728 ASP A O 1 ATOM 5228 C CB . ASP A 1 705 ? -34.421 -0.597 -16.889 1.00 17.86 ? 728 ASP A CB 1 ATOM 5229 C CG . ASP A 1 705 ? -34.856 -1.119 -18.214 1.00 23.42 ? 728 ASP A CG 1 ATOM 5230 O OD1 . ASP A 1 705 ? -36.095 -1.369 -18.336 1.00 26.08 ? 728 ASP A OD1 1 ATOM 5231 O OD2 . ASP A 1 705 ? -34.000 -1.313 -19.102 1.00 17.89 ? 728 ASP A OD2 1 ATOM 5232 N N . TYR A 1 706 ? -36.512 -2.835 -14.748 1.00 22.61 ? 729 TYR A N 1 ATOM 5233 C CA . TYR A 1 706 ? -36.551 -4.231 -14.335 1.00 24.39 ? 729 TYR A CA 1 ATOM 5234 C C . TYR A 1 706 ? -36.948 -5.194 -15.452 1.00 24.86 ? 729 TYR A C 1 ATOM 5235 O O . TYR A 1 706 ? -36.653 -6.379 -15.330 1.00 25.96 ? 729 TYR A O 1 ATOM 5236 C CB . TYR A 1 706 ? -37.482 -4.426 -13.121 1.00 26.02 ? 729 TYR A CB 1 ATOM 5237 C CG . TYR A 1 706 ? -36.775 -4.104 -11.812 1.00 23.26 ? 729 TYR A CG 1 ATOM 5238 C CD1 . TYR A 1 706 ? -36.011 -5.062 -11.154 1.00 26.33 ? 729 TYR A CD1 1 ATOM 5239 C CD2 . TYR A 1 706 ? -36.831 -2.823 -11.271 1.00 22.88 ? 729 TYR A CD2 1 ATOM 5240 C CE1 . TYR A 1 706 ? -35.331 -4.751 -9.962 1.00 26.25 ? 729 TYR A CE1 1 ATOM 5241 C CE2 . TYR A 1 706 ? -36.163 -2.506 -10.125 1.00 27.28 ? 729 TYR A CE2 1 ATOM 5242 C CZ . TYR A 1 706 ? -35.416 -3.465 -9.462 1.00 23.56 ? 729 TYR A CZ 1 ATOM 5243 O OH . TYR A 1 706 ? -34.792 -3.128 -8.278 1.00 26.46 ? 729 TYR A OH 1 ATOM 5244 N N . ASN A 1 707 ? -37.578 -4.743 -16.541 1.00 28.88 ? 730 ASN A N 1 ATOM 5245 C CA . ASN A 1 707 ? -37.795 -5.628 -17.693 1.00 31.12 ? 730 ASN A CA 1 ATOM 5246 C C . ASN A 1 707 ? -36.685 -5.485 -18.750 1.00 26.80 ? 730 ASN A C 1 ATOM 5247 O O . ASN A 1 707 ? -36.827 -5.991 -19.867 1.00 28.94 ? 730 ASN A O 1 ATOM 5248 C CB . ASN A 1 707 ? -39.176 -5.353 -18.302 1.00 28.37 ? 730 ASN A CB 1 ATOM 5249 C CG . ASN A 1 707 ? -39.310 -3.903 -18.732 1.00 23.36 ? 730 ASN A CG 1 ATOM 5250 O OD1 . ASN A 1 707 ? -38.319 -3.216 -18.732 1.00 22.56 ? 730 ASN A OD1 1 ATOM 5251 N ND2 . ASN A 1 707 ? -40.509 -3.444 -19.105 1.00 23.17 ? 730 ASN A ND2 1 ATOM 5252 N N . TYR A 1 708 ? -35.590 -4.815 -18.399 1.00 20.23 ? 731 TYR A N 1 ATOM 5253 C CA . TYR A 1 708 ? -34.383 -4.599 -19.197 1.00 22.40 ? 731 TYR A CA 1 ATOM 5254 C C . TYR A 1 708 ? -34.621 -4.367 -20.690 1.00 22.87 ? 731 TYR A C 1 ATOM 5255 O O . TYR A 1 708 ? -33.885 -4.907 -21.534 1.00 18.45 ? 731 TYR A O 1 ATOM 5256 C CB . TYR A 1 708 ? -33.412 -5.763 -18.991 1.00 34.71 ? 731 TYR A CB 1 ATOM 5257 C CG . TYR A 1 708 ? -34.041 -7.116 -19.136 1.00 40.58 ? 731 TYR A CG 1 ATOM 5258 C CD1 . TYR A 1 708 ? -34.277 -7.654 -20.397 1.00 51.52 ? 731 TYR A CD1 1 ATOM 5259 C CD2 . TYR A 1 708 ? -34.401 -7.861 -18.022 1.00 45.84 ? 731 TYR A CD2 1 ATOM 5260 C CE1 . TYR A 1 708 ? -34.860 -8.891 -20.553 1.00 58.96 ? 731 TYR A CE1 1 ATOM 5261 C CE2 . TYR A 1 708 ? -34.992 -9.110 -18.161 1.00 53.34 ? 731 TYR A CE2 1 ATOM 5262 C CZ . TYR A 1 708 ? -35.215 -9.621 -19.438 1.00 62.56 ? 731 TYR A CZ 1 ATOM 5263 O OH . TYR A 1 708 ? -35.792 -10.856 -19.632 1.00 62.86 ? 731 TYR A OH 1 ATOM 5264 N N . ASP A 1 709 ? -35.629 -3.552 -21.032 1.00 19.53 ? 732 ASP A N 1 ATOM 5265 C CA . ASP A 1 709 ? -35.884 -3.207 -22.428 1.00 21.14 ? 732 ASP A CA 1 ATOM 5266 C C . ASP A 1 709 ? -35.239 -1.882 -22.861 1.00 23.90 ? 732 ASP A C 1 ATOM 5267 O O . ASP A 1 709 ? -35.457 -1.437 -24.000 1.00 24.27 ? 732 ASP A O 1 ATOM 5268 C CB . ASP A 1 709 ? -37.391 -3.176 -22.705 1.00 27.08 ? 732 ASP A CB 1 ATOM 5269 C CG . ASP A 1 709 ? -38.133 -2.165 -21.861 1.00 25.45 ? 732 ASP A CG 1 ATOM 5270 O OD1 . ASP A 1 709 ? -37.498 -1.332 -21.168 1.00 24.62 ? 732 ASP A OD1 1 ATOM 5271 O OD2 . ASP A 1 709 ? -39.375 -2.199 -21.905 1.00 21.92 ? 732 ASP A OD2 1 ATOM 5272 N N . GLY A 1 710 ? -34.449 -1.248 -21.993 1.00 18.53 ? 733 GLY A N 1 ATOM 5273 C CA . GLY A 1 710 ? -33.832 0.024 -22.311 1.00 20.63 ? 733 GLY A CA 1 ATOM 5274 C C . GLY A 1 710 ? -34.730 1.235 -22.149 1.00 22.78 ? 733 GLY A C 1 ATOM 5275 O O . GLY A 1 710 ? -34.308 2.347 -22.495 1.00 22.52 ? 733 GLY A O 1 ATOM 5276 N N . HIS A 1 711 ? -35.959 1.056 -21.656 1.00 21.50 ? 734 HIS A N 1 ATOM 5277 C CA . HIS A 1 711 ? -36.908 2.148 -21.453 1.00 20.58 ? 734 HIS A CA 1 ATOM 5278 C C . HIS A 1 711 ? -37.366 2.192 -20.009 1.00 18.00 ? 734 HIS A C 1 ATOM 5279 O O . HIS A 1 711 ? -37.413 1.171 -19.327 1.00 18.35 ? 734 HIS A O 1 ATOM 5280 C CB . HIS A 1 711 ? -38.204 2.008 -22.267 1.00 22.66 ? 734 HIS A CB 1 ATOM 5281 C CG . HIS A 1 711 ? -38.003 1.790 -23.720 1.00 39.26 ? 734 HIS A CG 1 ATOM 5282 N ND1 . HIS A 1 711 ? -38.044 2.819 -24.636 1.00 38.04 ? 734 HIS A ND1 1 ATOM 5283 C CD2 . HIS A 1 711 ? -37.811 0.656 -24.426 1.00 41.04 ? 734 HIS A CD2 1 ATOM 5284 C CE1 . HIS A 1 711 ? -37.844 2.331 -25.844 1.00 43.73 ? 734 HIS A CE1 1 ATOM 5285 N NE2 . HIS A 1 711 ? -37.709 1.019 -25.745 1.00 46.83 ? 734 HIS A NE2 1 ATOM 5286 N N . PHE A 1 712 ? -37.836 3.365 -19.597 1.00 24.03 ? 735 PHE A N 1 ATOM 5287 C CA . PHE A 1 712 ? -38.599 3.439 -18.363 1.00 25.63 ? 735 PHE A CA 1 ATOM 5288 C C . PHE A 1 712 ? -39.811 2.525 -18.463 1.00 25.95 ? 735 PHE A C 1 ATOM 5289 O O . PHE A 1 712 ? -40.292 2.214 -19.555 1.00 25.17 ? 735 PHE A O 1 ATOM 5290 C CB . PHE A 1 712 ? -39.034 4.882 -18.063 1.00 22.54 ? 735 PHE A CB 1 ATOM 5291 C CG . PHE A 1 712 ? -40.094 5.440 -19.006 1.00 24.09 ? 735 PHE A CG 1 ATOM 5292 C CD1 . PHE A 1 712 ? -39.733 6.140 -20.140 1.00 26.48 ? 735 PHE A CD1 1 ATOM 5293 C CD2 . PHE A 1 712 ? -41.431 5.324 -18.715 1.00 24.02 ? 735 PHE A CD2 1 ATOM 5294 C CE1 . PHE A 1 712 ? -40.693 6.689 -20.974 1.00 28.59 ? 735 PHE A CE1 1 ATOM 5295 C CE2 . PHE A 1 712 ? -42.402 5.860 -19.553 1.00 26.41 ? 735 PHE A CE2 1 ATOM 5296 C CZ . PHE A 1 712 ? -42.025 6.550 -20.686 1.00 25.57 ? 735 PHE A CZ 1 ATOM 5297 N N . ASP A 1 713 ? -40.322 2.120 -17.314 1.00 20.55 ? 736 ASP A N 1 ATOM 5298 C CA . ASP A 1 713 ? -41.427 1.179 -17.233 1.00 21.66 ? 736 ASP A CA 1 ATOM 5299 C C . ASP A 1 713 ? -42.483 1.713 -16.283 1.00 24.78 ? 736 ASP A C 1 ATOM 5300 O O . ASP A 1 713 ? -42.186 2.558 -15.434 1.00 22.40 ? 736 ASP A O 1 ATOM 5301 C CB . ASP A 1 713 ? -40.942 -0.179 -16.721 1.00 22.27 ? 736 ASP A CB 1 ATOM 5302 C CG . ASP A 1 713 ? -39.753 -0.679 -17.484 1.00 28.10 ? 736 ASP A CG 1 ATOM 5303 O OD1 . ASP A 1 713 ? -39.804 -0.624 -18.737 1.00 32.68 ? 736 ASP A OD1 1 ATOM 5304 O OD2 . ASP A 1 713 ? -38.774 -1.111 -16.831 1.00 36.76 ? 736 ASP A OD2 1 ATOM 5305 N N . PRO A 1 714 ? -43.701 1.177 -16.347 1.00 25.48 ? 737 PRO A N 1 ATOM 5306 C CA . PRO A 1 714 ? -44.720 1.571 -15.390 1.00 32.74 ? 737 PRO A CA 1 ATOM 5307 C C . PRO A 1 714 ? -44.210 1.214 -14.011 1.00 29.64 ? 737 PRO A C 1 ATOM 5308 O O . PRO A 1 714 ? -43.456 0.293 -13.881 1.00 25.50 ? 737 PRO A O 1 ATOM 5309 C CB . PRO A 1 714 ? -45.915 0.729 -15.790 1.00 31.56 ? 737 PRO A CB 1 ATOM 5310 C CG . PRO A 1 714 ? -45.752 0.577 -17.222 1.00 30.13 ? 737 PRO A CG 1 ATOM 5311 C CD . PRO A 1 714 ? -44.293 0.345 -17.390 1.00 24.40 ? 737 PRO A CD 1 ATOM 5312 N N . TYR A 1 715 ? -44.610 1.966 -13.015 1.00 28.28 ? 738 TYR A N 1 ATOM 5313 C CA . TYR A 1 715 ? -44.157 1.697 -11.671 1.00 26.14 ? 738 TYR A CA 1 ATOM 5314 C C . TYR A 1 715 ? -44.521 0.296 -11.137 1.00 26.54 ? 738 TYR A C 1 ATOM 5315 O O . TYR A 1 715 ? -43.820 -0.238 -10.274 1.00 27.36 ? 738 TYR A O 1 ATOM 5316 C CB . TYR A 1 715 ? -44.456 2.859 -10.703 1.00 25.99 ? 738 TYR A CB 1 ATOM 5317 C CG . TYR A 1 715 ? -43.807 4.170 -11.109 1.00 28.53 ? 738 TYR A CG 1 ATOM 5318 C CD1 . TYR A 1 715 ? -42.424 4.268 -11.157 1.00 30.15 ? 738 TYR A CD1 1 ATOM 5319 C CD2 . TYR A 1 715 ? -44.555 5.272 -11.495 1.00 29.35 ? 738 TYR A CD2 1 ATOM 5320 C CE1 . TYR A 1 715 ? -41.801 5.433 -11.544 1.00 32.91 ? 738 TYR A CE1 1 ATOM 5321 C CE2 . TYR A 1 715 ? -43.935 6.447 -11.882 1.00 26.61 ? 738 TYR A CE2 1 ATOM 5322 C CZ . TYR A 1 715 ? -42.559 6.517 -11.903 1.00 27.79 ? 738 TYR A CZ 1 ATOM 5323 O OH . TYR A 1 715 ? -41.926 7.676 -12.288 1.00 32.55 ? 738 TYR A OH 1 ATOM 5324 N N . ASP A 1 716 ? -45.587 -0.303 -11.667 1.00 27.93 ? 739 ASP A N 1 ATOM 5325 C CA . ASP A 1 716 ? -45.981 -1.645 -11.238 1.00 28.77 ? 739 ASP A CA 1 ATOM 5326 C C . ASP A 1 716 ? -44.864 -2.655 -11.514 1.00 28.08 ? 739 ASP A C 1 ATOM 5327 O O . ASP A 1 716 ? -44.741 -3.673 -10.832 1.00 28.95 ? 739 ASP A O 1 ATOM 5328 C CB . ASP A 1 716 ? -47.269 -2.077 -11.941 1.00 30.18 ? 739 ASP A CB 1 ATOM 5329 C CG . ASP A 1 716 ? -47.120 -2.129 -13.449 1.00 34.79 ? 739 ASP A CG 1 ATOM 5330 O OD1 . ASP A 1 716 ? -45.973 -2.064 -13.938 1.00 30.53 ? 739 ASP A OD1 1 ATOM 5331 O OD2 . ASP A 1 716 ? -48.151 -2.234 -14.146 1.00 30.75 ? 739 ASP A OD2 1 ATOM 5332 N N . THR A 1 717 ? -44.054 -2.378 -12.530 1.00 29.90 ? 740 THR A N 1 ATOM 5333 C CA . THR A 1 717 ? -42.973 -3.282 -12.946 1.00 28.80 ? 740 THR A CA 1 ATOM 5334 C C . THR A 1 717 ? -41.777 -3.495 -12.005 1.00 26.44 ? 740 THR A C 1 ATOM 5335 O O . THR A 1 717 ? -41.074 -4.498 -12.124 1.00 25.44 ? 740 THR A O 1 ATOM 5336 C CB . THR A 1 717 ? -42.424 -2.880 -14.331 1.00 31.34 ? 740 THR A CB 1 ATOM 5337 O OG1 . THR A 1 717 ? -43.512 -2.708 -15.248 1.00 39.00 ? 740 THR A OG1 1 ATOM 5338 C CG2 . THR A 1 717 ? -41.483 -3.951 -14.862 1.00 29.49 ? 740 THR A CG2 1 ATOM 5339 N N . ILE A 1 718 ? -41.537 -2.568 -11.085 1.00 27.49 ? 741 ILE A N 1 ATOM 5340 C CA . ILE A 1 718 ? -40.403 -2.686 -10.173 1.00 28.49 ? 741 ILE A CA 1 ATOM 5341 C C . ILE A 1 718 ? -40.539 -3.971 -9.354 1.00 31.46 ? 741 ILE A C 1 ATOM 5342 O O . ILE A 1 718 ? -41.576 -4.240 -8.733 1.00 27.55 ? 741 ILE A O 1 ATOM 5343 C CB . ILE A 1 718 ? -40.320 -1.424 -9.295 1.00 33.34 ? 741 ILE A CB 1 ATOM 5344 C CG1 . ILE A 1 718 ? -39.941 -0.204 -10.148 1.00 24.71 ? 741 ILE A CG1 1 ATOM 5345 C CG2 . ILE A 1 718 ? -39.333 -1.584 -8.155 1.00 24.89 ? 741 ILE A CG2 1 ATOM 5346 C CD1 . ILE A 1 718 ? -40.245 1.115 -9.476 1.00 23.64 ? 741 ILE A CD1 1 ATOM 5347 N N . ASP A 1 719 ? -39.486 -4.781 -9.368 1.00 27.39 ? 742 ASP A N 1 ATOM 5348 C CA . ASP A 1 719 ? -39.508 -6.055 -8.659 1.00 33.16 ? 742 ASP A CA 1 ATOM 5349 C C . ASP A 1 719 ? -38.671 -6.120 -7.384 1.00 27.69 ? 742 ASP A C 1 ATOM 5350 O O . ASP A 1 719 ? -38.669 -7.147 -6.705 1.00 33.75 ? 742 ASP A O 1 ATOM 5351 C CB . ASP A 1 719 ? -39.098 -7.191 -9.602 1.00 28.41 ? 742 ASP A CB 1 ATOM 5352 C CG . ASP A 1 719 ? -40.078 -7.383 -10.742 1.00 37.68 ? 742 ASP A CG 1 ATOM 5353 O OD1 . ASP A 1 719 ? -41.291 -7.509 -10.471 1.00 28.72 ? 742 ASP A OD1 1 ATOM 5354 O OD2 . ASP A 1 719 ? -39.636 -7.409 -11.910 1.00 29.71 ? 742 ASP A OD2 1 ATOM 5355 N N . GLN A 1 720 ? -37.936 -5.069 -7.042 1.00 29.96 ? 743 GLN A N 1 ATOM 5356 C CA . GLN A 1 720 ? -37.124 -5.067 -5.832 1.00 28.32 ? 743 GLN A CA 1 ATOM 5357 C C . GLN A 1 720 ? -37.316 -3.809 -4.977 1.00 27.10 ? 743 GLN A C 1 ATOM 5358 O O . GLN A 1 720 ? -37.424 -2.749 -5.503 1.00 26.07 ? 743 GLN A O 1 ATOM 5359 C CB . GLN A 1 720 ? -35.652 -5.299 -6.089 1.00 31.77 ? 743 GLN A CB 1 ATOM 5360 C CG . GLN A 1 720 ? -35.302 -6.502 -6.902 1.00 47.61 ? 743 GLN A CG 1 ATOM 5361 C CD . GLN A 1 720 ? -33.890 -6.955 -6.653 1.00 61.28 ? 743 GLN A CD 1 ATOM 5362 O OE1 . GLN A 1 720 ? -33.379 -6.832 -5.556 1.00 59.08 ? 743 GLN A OE1 1 ATOM 5363 N NE2 . GLN A 1 720 ? -33.256 -7.489 -7.667 1.00 65.04 ? 743 GLN A NE2 1 ATOM 5364 N N . TYR A 1 721 ? -37.347 -3.985 -3.662 1.00 28.26 ? 744 TYR A N 1 ATOM 5365 C CA . TYR A 1 721 ? -37.630 -2.908 -2.719 1.00 28.48 ? 744 TYR A CA 1 ATOM 5366 C C . TYR A 1 721 ? -36.716 -3.045 -1.511 1.00 29.15 ? 744 TYR A C 1 ATOM 5367 O O . TYR A 1 721 ? -36.217 -4.131 -1.223 1.00 35.24 ? 744 TYR A O 1 ATOM 5368 C CB . TYR A 1 721 ? -39.112 -2.922 -2.246 1.00 33.62 ? 744 TYR A CB 1 ATOM 5369 C CG . TYR A 1 721 ? -40.068 -2.663 -3.371 1.00 29.19 ? 744 TYR A CG 1 ATOM 5370 C CD1 . TYR A 1 721 ? -40.422 -3.680 -4.229 1.00 29.39 ? 744 TYR A CD1 1 ATOM 5371 C CD2 . TYR A 1 721 ? -40.552 -1.366 -3.625 1.00 28.58 ? 744 TYR A CD2 1 ATOM 5372 C CE1 . TYR A 1 721 ? -41.259 -3.457 -5.288 1.00 34.95 ? 744 TYR A CE1 1 ATOM 5373 C CE2 . TYR A 1 721 ? -41.405 -1.126 -4.678 1.00 28.28 ? 744 TYR A CE2 1 ATOM 5374 C CZ . TYR A 1 721 ? -41.755 -2.186 -5.510 1.00 28.52 ? 744 TYR A CZ 1 ATOM 5375 O OH . TYR A 1 721 ? -42.582 -2.002 -6.585 1.00 29.97 ? 744 TYR A OH 1 ATOM 5376 N N . VAL A 1 722 ? -36.487 -1.934 -0.812 1.00 28.99 ? 745 VAL A N 1 ATOM 5377 C CA . VAL A 1 722 ? -35.789 -2.001 0.464 1.00 29.90 ? 745 VAL A CA 1 ATOM 5378 C C . VAL A 1 722 ? -36.593 -2.897 1.395 1.00 38.90 ? 745 VAL A C 1 ATOM 5379 O O . VAL A 1 722 ? -37.817 -2.768 1.491 1.00 32.21 ? 745 VAL A O 1 ATOM 5380 C CB . VAL A 1 722 ? -35.603 -0.597 1.061 1.00 30.16 ? 745 VAL A CB 1 ATOM 5381 C CG1 . VAL A 1 722 ? -35.099 -0.697 2.495 1.00 30.86 ? 745 VAL A CG1 1 ATOM 5382 C CG2 . VAL A 1 722 ? -34.656 0.259 0.183 1.00 33.21 ? 745 VAL A CG2 1 ATOM 5383 N N . ASN A 1 723 ? -35.912 -3.826 2.059 1.00 38.97 ? 746 ASN A N 1 ATOM 5384 C CA . ASN A 1 723 ? -36.588 -4.840 2.857 1.00 37.16 ? 746 ASN A CA 1 ATOM 5385 C C . ASN A 1 723 ? -37.621 -4.229 3.789 1.00 40.49 ? 746 ASN A C 1 ATOM 5386 O O . ASN A 1 723 ? -37.367 -3.221 4.459 1.00 35.33 ? 746 ASN A O 1 ATOM 5387 C CB . ASN A 1 723 ? -35.569 -5.632 3.662 1.00 48.83 ? 746 ASN A CB 1 ATOM 5388 C CG . ASN A 1 723 ? -34.973 -6.758 2.874 1.00 60.65 ? 746 ASN A CG 1 ATOM 5389 O OD1 . ASN A 1 723 ? -35.500 -7.165 1.840 1.00 62.71 ? 746 ASN A OD1 1 ATOM 5390 N ND2 . ASN A 1 723 ? -33.857 -7.265 3.352 1.00 76.72 ? 746 ASN A ND2 1 ATOM 5391 N N . ASN A 1 724 ? -38.803 -4.839 3.802 1.00 37.66 ? 747 ASN A N 1 ATOM 5392 C CA . ASN A 1 724 ? -39.901 -4.501 4.700 1.00 41.61 ? 747 ASN A CA 1 ATOM 5393 C C . ASN A 1 724 ? -40.573 -3.187 4.338 1.00 39.95 ? 747 ASN A C 1 ATOM 5394 O O . ASN A 1 724 ? -41.461 -2.755 5.065 1.00 45.76 ? 747 ASN A O 1 ATOM 5395 C CB . ASN A 1 724 ? -39.451 -4.424 6.167 1.00 47.96 ? 747 ASN A CB 1 ATOM 5396 C CG . ASN A 1 724 ? -40.523 -4.893 7.125 1.00 57.40 ? 747 ASN A CG 1 ATOM 5397 O OD1 . ASN A 1 724 ? -41.319 -5.767 6.782 1.00 63.33 ? 747 ASN A OD1 1 ATOM 5398 N ND2 . ASN A 1 724 ? -40.562 -4.308 8.327 1.00 53.67 ? 747 ASN A ND2 1 ATOM 5399 N N . THR A 1 725 ? -40.172 -2.526 3.256 1.00 35.01 ? 748 THR A N 1 ATOM 5400 C CA . THR A 1 725 ? -40.742 -1.248 2.854 1.00 34.15 ? 748 THR A CA 1 ATOM 5401 C C . THR A 1 725 ? -41.217 -1.319 1.413 1.00 34.68 ? 748 THR A C 1 ATOM 5402 O O . THR A 1 725 ? -41.023 -2.309 0.708 1.00 34.45 ? 748 THR A O 1 ATOM 5403 C CB . THR A 1 725 ? -39.727 -0.105 2.988 1.00 36.17 ? 748 THR A CB 1 ATOM 5404 O OG1 . THR A 1 725 ? -38.796 -0.148 1.877 1.00 38.34 ? 748 THR A OG1 1 ATOM 5405 C CG2 . THR A 1 725 ? -38.992 -0.223 4.306 1.00 36.27 ? 748 THR A CG2 1 ATOM 5406 N N . LYS A 1 726 ? -41.814 -0.224 0.958 1.00 35.81 ? 749 LYS A N 1 ATOM 5407 C CA . LYS A 1 726 ? -42.127 -0.062 -0.449 1.00 38.69 ? 749 LYS A CA 1 ATOM 5408 C C . LYS A 1 726 ? -41.249 1.004 -1.100 1.00 35.20 ? 749 LYS A C 1 ATOM 5409 O O . LYS A 1 726 ? -41.672 1.674 -2.048 1.00 31.53 ? 749 LYS A O 1 ATOM 5410 C CB . LYS A 1 726 ? -43.608 0.251 -0.646 1.00 43.85 ? 749 LYS A CB 1 ATOM 5411 C CG . LYS A 1 726 ? -44.153 -0.458 -1.891 1.00 36.84 ? 749 LYS A CG 1 ATOM 5412 C CD . LYS A 1 726 ? -45.332 0.269 -2.503 1.00 33.68 ? 749 LYS A CD 1 ATOM 5413 C CE . LYS A 1 726 ? -45.860 -0.568 -3.647 1.00 42.17 ? 749 LYS A CE 1 ATOM 5414 N NZ . LYS A 1 726 ? -46.958 0.081 -4.396 1.00 44.09 ? 749 LYS A NZ 1 ATOM 5415 N N . ILE A 1 727 ? -40.026 1.169 -0.600 1.00 34.47 ? 750 ILE A N 1 ATOM 5416 C CA . ILE A 1 727 ? -39.039 2.047 -1.225 1.00 28.01 ? 750 ILE A CA 1 ATOM 5417 C C . ILE A 1 727 ? -38.405 1.259 -2.365 1.00 28.84 ? 750 ILE A C 1 ATOM 5418 O O . ILE A 1 727 ? -37.698 0.265 -2.125 1.00 30.76 ? 750 ILE A O 1 ATOM 5419 C CB . ILE A 1 727 ? -37.962 2.517 -0.239 1.00 28.00 ? 750 ILE A CB 1 ATOM 5420 C CG1 . ILE A 1 727 ? -38.585 3.308 0.909 1.00 35.08 ? 750 ILE A CG1 1 ATOM 5421 C CG2 . ILE A 1 727 ? -36.883 3.361 -0.941 1.00 26.62 ? 750 ILE A CG2 1 ATOM 5422 C CD1 . ILE A 1 727 ? -37.618 3.616 2.021 1.00 31.47 ? 750 ILE A CD1 1 ATOM 5423 N N . PRO A 1 728 ? -38.614 1.671 -3.606 1.00 26.04 ? 751 PRO A N 1 ATOM 5424 C CA . PRO A 1 728 ? -38.111 0.882 -4.739 1.00 25.27 ? 751 PRO A CA 1 ATOM 5425 C C . PRO A 1 728 ? -36.595 0.998 -4.879 1.00 27.93 ? 751 PRO A C 1 ATOM 5426 O O . PRO A 1 728 ? -35.995 2.023 -4.570 1.00 23.94 ? 751 PRO A O 1 ATOM 5427 C CB . PRO A 1 728 ? -38.828 1.492 -5.957 1.00 24.62 ? 751 PRO A CB 1 ATOM 5428 C CG . PRO A 1 728 ? -38.931 2.993 -5.549 1.00 24.44 ? 751 PRO A CG 1 ATOM 5429 C CD . PRO A 1 728 ? -39.078 3.003 -4.022 1.00 25.54 ? 751 PRO A CD 1 ATOM 5430 N N . ILE A 1 729 ? -35.965 -0.071 -5.359 1.00 29.20 ? 752 ILE A N 1 ATOM 5431 C CA . ILE A 1 729 ? -34.514 -0.113 -5.539 1.00 24.71 ? 752 ILE A CA 1 ATOM 5432 C C . ILE A 1 729 ? -34.192 0.110 -7.014 1.00 24.09 ? 752 ILE A C 1 ATOM 5433 O O . ILE A 1 729 ? -34.569 -0.725 -7.854 1.00 23.50 ? 752 ILE A O 1 ATOM 5434 C CB . ILE A 1 729 ? -33.907 -1.427 -5.052 1.00 26.98 ? 752 ILE A CB 1 ATOM 5435 C CG1 . ILE A 1 729 ? -33.998 -1.487 -3.525 1.00 25.55 ? 752 ILE A CG1 1 ATOM 5436 C CG2 . ILE A 1 729 ? -32.467 -1.528 -5.568 1.00 25.35 ? 752 ILE A CG2 1 ATOM 5437 C CD1 . ILE A 1 729 ? -33.688 -2.864 -2.974 1.00 26.68 ? 752 ILE A CD1 1 ATOM 5438 N N . PRO A 1 730 ? -33.485 1.177 -7.368 1.00 21.43 ? 753 PRO A N 1 ATOM 5439 C CA . PRO A 1 730 ? -33.154 1.405 -8.780 1.00 20.38 ? 753 PRO A CA 1 ATOM 5440 C C . PRO A 1 730 ? -32.208 0.345 -9.314 1.00 24.03 ? 753 PRO A C 1 ATOM 5441 O O . PRO A 1 730 ? -31.368 -0.193 -8.589 1.00 20.73 ? 753 PRO A O 1 ATOM 5442 C CB . PRO A 1 730 ? -32.513 2.808 -8.792 1.00 22.12 ? 753 PRO A CB 1 ATOM 5443 C CG . PRO A 1 730 ? -33.009 3.464 -7.483 1.00 24.34 ? 753 PRO A CG 1 ATOM 5444 C CD . PRO A 1 730 ? -33.073 2.289 -6.496 1.00 21.49 ? 753 PRO A CD 1 ATOM 5445 N N . THR A 1 731 ? -32.405 -0.007 -10.586 1.00 24.82 ? 754 THR A N 1 ATOM 5446 C CA . THR A 1 731 ? -31.467 -0.883 -11.277 1.00 19.34 ? 754 THR A CA 1 ATOM 5447 C C . THR A 1 731 ? -30.186 -0.146 -11.635 1.00 18.58 ? 754 THR A C 1 ATOM 5448 O O . THR A 1 731 ? -29.119 -0.768 -11.691 1.00 20.91 ? 754 THR A O 1 ATOM 5449 C CB . THR A 1 731 ? -32.090 -1.442 -12.550 1.00 19.08 ? 754 THR A CB 1 ATOM 5450 O OG1 . THR A 1 731 ? -32.553 -0.350 -13.371 1.00 18.46 ? 754 THR A OG1 1 ATOM 5451 C CG2 . THR A 1 731 ? -33.251 -2.410 -12.226 1.00 20.06 ? 754 THR A CG2 1 ATOM 5452 N N . HIS A 1 732 ? -30.277 1.160 -11.879 1.00 18.02 ? 755 HIS A N 1 ATOM 5453 C CA . HIS A 1 732 ? -29.148 2.003 -12.280 1.00 21.15 ? 755 HIS A CA 1 ATOM 5454 C C . HIS A 1 732 ? -29.309 3.384 -11.662 1.00 23.39 ? 755 HIS A C 1 ATOM 5455 O O . HIS A 1 732 ? -30.415 3.779 -11.265 1.00 20.28 ? 755 HIS A O 1 ATOM 5456 C CB . HIS A 1 732 ? -29.034 2.151 -13.824 1.00 16.62 ? 755 HIS A CB 1 ATOM 5457 C CG . HIS A 1 732 ? -28.959 0.842 -14.540 1.00 16.83 ? 755 HIS A CG 1 ATOM 5458 N ND1 . HIS A 1 732 ? -30.056 0.020 -14.694 1.00 17.03 ? 755 HIS A ND1 1 ATOM 5459 C CD2 . HIS A 1 732 ? -27.903 0.176 -15.084 1.00 16.49 ? 755 HIS A CD2 1 ATOM 5460 C CE1 . HIS A 1 732 ? -29.685 -1.087 -15.321 1.00 17.90 ? 755 HIS A CE1 1 ATOM 5461 N NE2 . HIS A 1 732 ? -28.387 -1.017 -15.572 1.00 16.74 ? 755 HIS A NE2 1 ATOM 5462 N N . TYR A 1 733 ? -28.184 4.114 -11.584 1.00 19.47 ? 756 TYR A N 1 ATOM 5463 C CA . TYR A 1 733 ? -28.156 5.535 -11.222 1.00 23.28 ? 756 TYR A CA 1 ATOM 5464 C C . TYR A 1 733 ? -27.491 6.308 -12.354 1.00 21.07 ? 756 TYR A C 1 ATOM 5465 O O . TYR A 1 733 ? -26.388 5.950 -12.774 1.00 19.73 ? 756 TYR A O 1 ATOM 5466 C CB . TYR A 1 733 ? -27.402 5.775 -9.900 1.00 17.79 ? 756 TYR A CB 1 ATOM 5467 C CG . TYR A 1 733 ? -28.259 5.433 -8.702 1.00 18.55 ? 756 TYR A CG 1 ATOM 5468 C CD1 . TYR A 1 733 ? -29.366 6.208 -8.383 1.00 20.50 ? 756 TYR A CD1 1 ATOM 5469 C CD2 . TYR A 1 733 ? -27.987 4.312 -7.909 1.00 19.22 ? 756 TYR A CD2 1 ATOM 5470 C CE1 . TYR A 1 733 ? -30.187 5.896 -7.274 1.00 19.54 ? 756 TYR A CE1 1 ATOM 5471 C CE2 . TYR A 1 733 ? -28.808 3.971 -6.811 1.00 20.05 ? 756 TYR A CE2 1 ATOM 5472 C CZ . TYR A 1 733 ? -29.906 4.765 -6.511 1.00 20.18 ? 756 TYR A CZ 1 ATOM 5473 O OH . TYR A 1 733 ? -30.713 4.472 -5.429 1.00 22.82 ? 756 TYR A OH 1 ATOM 5474 N N . PHE A 1 734 ? -28.165 7.339 -12.871 1.00 18.82 ? 757 PHE A N 1 ATOM 5475 C CA . PHE A 1 734 ? -27.595 8.097 -13.977 1.00 15.83 ? 757 PHE A CA 1 ATOM 5476 C C . PHE A 1 734 ? -26.974 9.378 -13.448 1.00 18.26 ? 757 PHE A C 1 ATOM 5477 O O . PHE A 1 734 ? -27.400 9.914 -12.422 1.00 17.41 ? 757 PHE A O 1 ATOM 5478 C CB . PHE A 1 734 ? -28.622 8.433 -15.070 1.00 15.56 ? 757 PHE A CB 1 ATOM 5479 C CG . PHE A 1 734 ? -29.634 9.508 -14.685 1.00 21.03 ? 757 PHE A CG 1 ATOM 5480 C CD1 . PHE A 1 734 ? -29.363 10.860 -14.892 1.00 27.40 ? 757 PHE A CD1 1 ATOM 5481 C CD2 . PHE A 1 734 ? -30.865 9.162 -14.137 1.00 22.96 ? 757 PHE A CD2 1 ATOM 5482 C CE1 . PHE A 1 734 ? -30.299 11.839 -14.565 1.00 25.65 ? 757 PHE A CE1 1 ATOM 5483 C CE2 . PHE A 1 734 ? -31.815 10.153 -13.796 1.00 21.30 ? 757 PHE A CE2 1 ATOM 5484 C CZ . PHE A 1 734 ? -31.527 11.479 -14.006 1.00 25.08 ? 757 PHE A CZ 1 ATOM 5485 N N . VAL A 1 735 ? -25.965 9.857 -14.174 1.00 15.86 ? 758 VAL A N 1 ATOM 5486 C CA . VAL A 1 735 ? -25.288 11.126 -13.928 1.00 18.78 ? 758 VAL A CA 1 ATOM 5487 C C . VAL A 1 735 ? -24.961 11.751 -15.284 1.00 21.28 ? 758 VAL A C 1 ATOM 5488 O O . VAL A 1 735 ? -24.319 11.111 -16.126 1.00 21.73 ? 758 VAL A O 1 ATOM 5489 C CB . VAL A 1 735 ? -23.987 10.931 -13.116 1.00 23.41 ? 758 VAL A CB 1 ATOM 5490 C CG1 . VAL A 1 735 ? -23.315 12.298 -12.842 1.00 23.20 ? 758 VAL A CG1 1 ATOM 5491 C CG2 . VAL A 1 735 ? -24.266 10.134 -11.809 1.00 23.54 ? 758 VAL A CG2 1 ATOM 5492 N N . VAL A 1 736 ? -25.377 12.997 -15.493 1.00 22.19 ? 759 VAL A N 1 ATOM 5493 C CA . VAL A 1 736 ? -25.109 13.708 -16.743 1.00 20.71 ? 759 VAL A CA 1 ATOM 5494 C C . VAL A 1 736 ? -24.317 14.964 -16.415 1.00 22.54 ? 759 VAL A C 1 ATOM 5495 O O . VAL A 1 736 ? -24.822 15.857 -15.720 1.00 20.34 ? 759 VAL A O 1 ATOM 5496 C CB . VAL A 1 736 ? -26.406 14.060 -17.481 1.00 23.00 ? 759 VAL A CB 1 ATOM 5497 C CG1 . VAL A 1 736 ? -26.096 14.841 -18.780 1.00 23.28 ? 759 VAL A CG1 1 ATOM 5498 C CG2 . VAL A 1 736 ? -27.211 12.820 -17.762 1.00 15.54 ? 759 VAL A CG2 1 ATOM 5499 N N . LEU A 1 737 ? -23.067 15.020 -16.894 1.00 21.21 ? 760 LEU A N 1 ATOM 5500 C CA . LEU A 1 737 ? -22.135 16.110 -16.595 1.00 19.94 ? 760 LEU A CA 1 ATOM 5501 C C . LEU A 1 737 ? -22.028 17.016 -17.814 1.00 19.53 ? 760 LEU A C 1 ATOM 5502 O O . LEU A 1 737 ? -21.621 16.560 -18.892 1.00 21.76 ? 760 LEU A O 1 ATOM 5503 C CB . LEU A 1 737 ? -20.760 15.556 -16.227 1.00 19.20 ? 760 LEU A CB 1 ATOM 5504 C CG . LEU A 1 737 ? -20.802 14.576 -15.046 1.00 20.68 ? 760 LEU A CG 1 ATOM 5505 C CD1 . LEU A 1 737 ? -19.409 13.980 -14.794 1.00 22.30 ? 760 LEU A CD1 1 ATOM 5506 C CD2 . LEU A 1 737 ? -21.344 15.243 -13.769 1.00 19.78 ? 760 LEU A CD2 1 ATOM 5507 N N . THR A 1 738 ? -22.375 18.291 -17.647 1.00 18.22 ? 761 THR A N 1 ATOM 5508 C CA . THR A 1 738 ? -22.330 19.246 -18.747 1.00 20.65 ? 761 THR A CA 1 ATOM 5509 C C . THR A 1 738 ? -21.317 20.342 -18.441 1.00 22.89 ? 761 THR A C 1 ATOM 5510 O O . THR A 1 738 ? -21.323 20.912 -17.345 1.00 26.69 ? 761 THR A O 1 ATOM 5511 C CB . THR A 1 738 ? -23.710 19.855 -19.005 1.00 23.12 ? 761 THR A CB 1 ATOM 5512 O OG1 . THR A 1 738 ? -24.663 18.805 -19.186 1.00 24.43 ? 761 THR A OG1 1 ATOM 5513 C CG2 . THR A 1 738 ? -23.676 20.733 -20.258 1.00 19.30 ? 761 THR A CG2 1 ATOM 5514 N N . SER A 1 739 ? -20.443 20.627 -19.401 1.00 28.07 ? 762 SER A N 1 ATOM 5515 C CA . SER A 1 739 ? -19.492 21.738 -19.301 1.00 25.59 ? 762 SER A CA 1 ATOM 5516 C C . SER A 1 739 ? -19.291 22.294 -20.701 1.00 24.47 ? 762 SER A C 1 ATOM 5517 O O . SER A 1 739 ? -20.001 21.917 -21.643 1.00 25.40 ? 762 SER A O 1 ATOM 5518 C CB . SER A 1 739 ? -18.172 21.288 -18.660 1.00 25.95 ? 762 SER A CB 1 ATOM 5519 O OG . SER A 1 739 ? -17.506 20.340 -19.474 1.00 29.83 ? 762 SER A OG 1 ATOM 5520 N N . CYS A 1 740 ? -18.312 23.185 -20.854 1.00 25.19 ? 763 CYS A N 1 ATOM 5521 C CA . CYS A 1 740 ? -18.079 23.832 -22.140 1.00 27.19 ? 763 CYS A CA 1 ATOM 5522 C C . CYS A 1 740 ? -16.909 23.169 -22.849 1.00 24.96 ? 763 CYS A C 1 ATOM 5523 O O . CYS A 1 740 ? -15.871 22.915 -22.236 1.00 27.26 ? 763 CYS A O 1 ATOM 5524 C CB . CYS A 1 740 ? -17.807 25.330 -21.995 1.00 27.88 ? 763 CYS A CB 1 ATOM 5525 S SG . CYS A 1 740 ? -18.124 26.246 -23.546 1.00 32.06 ? 763 CYS A SG 1 ATOM 5526 N N . GLU A 1 741 ? -17.085 22.896 -24.144 1.00 22.64 ? 764 GLU A N 1 ATOM 5527 C CA . GLU A 1 741 ? -15.979 22.374 -24.943 1.00 31.47 ? 764 GLU A CA 1 ATOM 5528 C C . GLU A 1 741 ? -14.812 23.342 -24.930 1.00 37.57 ? 764 GLU A C 1 ATOM 5529 O O . GLU A 1 741 ? -13.648 22.919 -24.952 1.00 34.54 ? 764 GLU A O 1 ATOM 5530 C CB . GLU A 1 741 ? -16.434 22.097 -26.374 1.00 36.50 ? 764 GLU A CB 1 ATOM 5531 C CG . GLU A 1 741 ? -15.488 21.261 -27.198 1.00 50.68 ? 764 GLU A CG 1 ATOM 5532 C CD . GLU A 1 741 ? -15.134 19.936 -26.534 1.00 58.61 ? 764 GLU A CD 1 ATOM 5533 O OE1 . GLU A 1 741 ? -13.954 19.766 -26.154 1.00 58.92 ? 764 GLU A OE1 1 ATOM 5534 O OE2 . GLU A 1 741 ? -16.032 19.070 -26.391 1.00 56.56 ? 764 GLU A OE2 1 ATOM 5535 N N . ASN A 1 742 ? -15.102 24.642 -24.836 1.00 38.26 ? 765 ASN A N 1 ATOM 5536 C CA . ASN A 1 742 ? -14.042 25.627 -24.618 1.00 36.21 ? 765 ASN A CA 1 ATOM 5537 C C . ASN A 1 742 ? -13.901 25.861 -23.119 1.00 35.43 ? 765 ASN A C 1 ATOM 5538 O O . ASN A 1 742 ? -14.731 26.524 -22.492 1.00 27.90 ? 765 ASN A O 1 ATOM 5539 C CB . ASN A 1 742 ? -14.344 26.895 -25.408 1.00 34.36 ? 765 ASN A CB 1 ATOM 5540 C CG . ASN A 1 742 ? -13.280 27.950 -25.258 1.00 43.89 ? 765 ASN A CG 1 ATOM 5541 O OD1 . ASN A 1 742 ? -12.540 28.064 -24.266 1.00 41.09 ? 765 ASN A OD1 1 ATOM 5542 N ND2 . ASN A 1 742 ? -13.140 28.679 -26.324 1.00 63.24 ? 765 ASN A ND2 1 ATOM 5543 N N . SER A 1 743 ? -12.844 25.295 -22.546 1.00 36.26 ? 766 SER A N 1 ATOM 5544 C CA . SER A 1 743 ? -12.702 25.303 -21.102 1.00 36.92 ? 766 SER A CA 1 ATOM 5545 C C . SER A 1 743 ? -12.387 26.681 -20.548 1.00 35.79 ? 766 SER A C 1 ATOM 5546 O O . SER A 1 743 ? -12.325 26.812 -19.329 1.00 38.84 ? 766 SER A O 1 ATOM 5547 C CB . SER A 1 743 ? -11.635 24.294 -20.678 1.00 36.80 ? 766 SER A CB 1 ATOM 5548 O OG . SER A 1 743 ? -10.347 24.834 -20.902 1.00 46.13 ? 766 SER A OG 1 ATOM 5549 N N . THR A 1 744 ? -12.191 27.706 -21.384 1.00 35.74 ? 767 THR A N 1 ATOM 5550 C CA . THR A 1 744 ? -12.186 29.064 -20.858 1.00 34.98 ? 767 THR A CA 1 ATOM 5551 C C . THR A 1 744 ? -13.573 29.495 -20.401 1.00 36.15 ? 767 THR A C 1 ATOM 5552 O O . THR A 1 744 ? -13.694 30.484 -19.676 1.00 41.98 ? 767 THR A O 1 ATOM 5553 C CB . THR A 1 744 ? -11.671 30.074 -21.888 1.00 44.88 ? 767 THR A CB 1 ATOM 5554 O OG1 . THR A 1 744 ? -12.677 30.288 -22.890 1.00 49.65 ? 767 THR A OG1 1 ATOM 5555 C CG2 . THR A 1 744 ? -10.350 29.599 -22.534 1.00 41.04 ? 767 THR A CG2 1 ATOM 5556 N N . LYS A 1 745 ? -14.618 28.780 -20.792 1.00 35.14 ? 768 LYS A N 1 ATOM 5557 C CA . LYS A 1 745 ? -15.959 29.069 -20.310 1.00 30.78 ? 768 LYS A CA 1 ATOM 5558 C C . LYS A 1 745 ? -16.409 28.016 -19.303 1.00 30.88 ? 768 LYS A C 1 ATOM 5559 O O . LYS A 1 745 ? -15.873 26.906 -19.236 1.00 31.06 ? 768 LYS A O 1 ATOM 5560 C CB . LYS A 1 745 ? -16.957 29.132 -21.471 1.00 32.03 ? 768 LYS A CB 1 ATOM 5561 C CG . LYS A 1 745 ? -16.698 30.238 -22.469 1.00 34.90 ? 768 LYS A CG 1 ATOM 5562 C CD . LYS A 1 745 ? -16.631 31.573 -21.779 1.00 36.26 ? 768 LYS A CD 1 ATOM 5563 C CE . LYS A 1 745 ? -16.720 32.688 -22.787 1.00 43.78 ? 768 LYS A CE 1 ATOM 5564 N NZ . LYS A 1 745 ? -16.480 33.970 -22.096 1.00 44.39 ? 768 LYS A NZ 1 ATOM 5565 N N . THR A 1 746 ? -17.407 28.391 -18.526 1.00 28.71 ? 769 THR A N 1 ATOM 5566 C CA . THR A 1 746 ? -18.050 27.568 -17.513 1.00 27.69 ? 769 THR A CA 1 ATOM 5567 C C . THR A 1 746 ? -19.280 26.902 -18.104 1.00 28.59 ? 769 THR A C 1 ATOM 5568 O O . THR A 1 746 ? -19.735 27.271 -19.190 1.00 26.64 ? 769 THR A O 1 ATOM 5569 C CB . THR A 1 746 ? -18.472 28.447 -16.332 1.00 40.84 ? 769 THR A CB 1 ATOM 5570 O OG1 . THR A 1 746 ? -19.697 29.108 -16.674 1.00 35.46 ? 769 THR A OG1 1 ATOM 5571 C CG2 . THR A 1 746 ? -17.406 29.503 -15.987 1.00 30.20 ? 769 THR A CG2 1 ATOM 5572 N N . PRO A 1 747 ? -19.901 25.950 -17.392 1.00 25.41 ? 770 PRO A N 1 ATOM 5573 C CA . PRO A 1 747 ? -21.170 25.396 -17.890 1.00 29.55 ? 770 PRO A CA 1 ATOM 5574 C C . PRO A 1 747 ? -22.283 26.430 -18.041 1.00 27.12 ? 770 PRO A C 1 ATOM 5575 O O . PRO A 1 747 ? -23.318 26.094 -18.618 1.00 27.78 ? 770 PRO A O 1 ATOM 5576 C CB . PRO A 1 747 ? -21.542 24.334 -16.839 1.00 31.16 ? 770 PRO A CB 1 ATOM 5577 C CG . PRO A 1 747 ? -20.280 24.039 -16.121 1.00 28.77 ? 770 PRO A CG 1 ATOM 5578 C CD . PRO A 1 747 ? -19.484 25.305 -16.134 1.00 26.44 ? 770 PRO A CD 1 ATOM 5579 N N . LEU A 1 748 ? -22.098 27.666 -17.562 1.00 26.92 ? 771 LEU A N 1 ATOM 5580 C CA . LEU A 1 748 ? -23.156 28.673 -17.539 1.00 36.41 ? 771 LEU A CA 1 ATOM 5581 C C . LEU A 1 748 ? -23.010 29.748 -18.599 1.00 37.83 ? 771 LEU A C 1 ATOM 5582 O O . LEU A 1 748 ? -24.004 30.403 -18.920 1.00 41.33 ? 771 LEU A O 1 ATOM 5583 C CB . LEU A 1 748 ? -23.231 29.367 -16.168 1.00 35.01 ? 771 LEU A CB 1 ATOM 5584 C CG . LEU A 1 748 ? -23.314 28.434 -14.956 1.00 38.28 ? 771 LEU A CG 1 ATOM 5585 C CD1 . LEU A 1 748 ? -23.277 29.307 -13.701 1.00 37.81 ? 771 LEU A CD1 1 ATOM 5586 C CD2 . LEU A 1 748 ? -24.551 27.546 -14.988 1.00 35.59 ? 771 LEU A CD2 1 ATOM 5587 N N . ASN A 1 749 ? -21.808 29.963 -19.133 1.00 33.34 ? 772 ASN A N 1 ATOM 5588 C CA . ASN A 1 749 ? -21.594 30.979 -20.160 1.00 35.26 ? 772 ASN A CA 1 ATOM 5589 C C . ASN A 1 749 ? -21.086 30.344 -21.447 1.00 40.92 ? 772 ASN A C 1 ATOM 5590 O O . ASN A 1 749 ? -20.446 31.011 -22.261 1.00 34.32 ? 772 ASN A O 1 ATOM 5591 C CB . ASN A 1 749 ? -20.620 32.049 -19.672 1.00 39.71 ? 772 ASN A CB 1 ATOM 5592 C CG . ASN A 1 749 ? -19.308 31.457 -19.235 1.00 45.24 ? 772 ASN A CG 1 ATOM 5593 O OD1 . ASN A 1 749 ? -19.085 30.257 -19.372 1.00 50.20 ? 772 ASN A OD1 1 ATOM 5594 N ND2 . ASN A 1 749 ? -18.415 32.293 -18.745 1.00 49.70 ? 772 ASN A ND2 1 ATOM 5595 N N . CYS A 1 750 ? -21.340 29.056 -21.613 1.00 36.87 ? 773 CYS A N 1 ATOM 5596 C CA . CYS A 1 750 ? -20.957 28.334 -22.814 1.00 40.18 ? 773 CYS A CA 1 ATOM 5597 C C . CYS A 1 750 ? -21.969 28.618 -23.907 1.00 34.94 ? 773 CYS A C 1 ATOM 5598 O O . CYS A 1 750 ? -23.174 28.546 -23.654 1.00 34.32 ? 773 CYS A O 1 ATOM 5599 C CB . CYS A 1 750 ? -20.923 26.823 -22.551 1.00 37.74 ? 773 CYS A CB 1 ATOM 5600 S SG . CYS A 1 750 ? -20.131 25.851 -23.859 1.00 34.71 ? 773 CYS A SG 1 ATOM 5601 N N . PRO A 1 751 ? -21.538 28.928 -25.119 1.00 34.31 ? 774 PRO A N 1 ATOM 5602 C CA . PRO A 1 751 ? -22.480 28.938 -26.236 1.00 35.77 ? 774 PRO A CA 1 ATOM 5603 C C . PRO A 1 751 ? -23.072 27.552 -26.418 1.00 39.92 ? 774 PRO A C 1 ATOM 5604 O O . PRO A 1 751 ? -22.354 26.544 -26.315 1.00 37.30 ? 774 PRO A O 1 ATOM 5605 C CB . PRO A 1 751 ? -21.625 29.358 -27.437 1.00 36.07 ? 774 PRO A CB 1 ATOM 5606 C CG . PRO A 1 751 ? -20.195 29.283 -26.971 1.00 41.73 ? 774 PRO A CG 1 ATOM 5607 C CD . PRO A 1 751 ? -20.199 29.409 -25.490 1.00 37.91 ? 774 PRO A CD 1 ATOM 5608 N N . PRO A 1 752 ? -24.381 27.460 -26.655 1.00 34.55 ? 775 PRO A N 1 ATOM 5609 C CA . PRO A 1 752 ? -25.046 26.140 -26.640 1.00 35.32 ? 775 PRO A CA 1 ATOM 5610 C C . PRO A 1 752 ? -24.445 25.147 -27.624 1.00 32.75 ? 775 PRO A C 1 ATOM 5611 O O . PRO A 1 752 ? -24.418 23.945 -27.338 1.00 35.33 ? 775 PRO A O 1 ATOM 5612 C CB . PRO A 1 752 ? -26.505 26.484 -26.990 1.00 29.76 ? 775 PRO A CB 1 ATOM 5613 C CG . PRO A 1 752 ? -26.393 27.812 -27.778 1.00 35.51 ? 775 PRO A CG 1 ATOM 5614 C CD . PRO A 1 752 ? -25.286 28.545 -27.062 1.00 39.13 ? 775 PRO A CD 1 ATOM 5615 N N . GLY A 1 753 ? -23.952 25.616 -28.772 1.00 32.33 ? 776 GLY A N 1 ATOM 5616 C CA . GLY A 1 753 ? -23.311 24.760 -29.753 1.00 34.38 ? 776 GLY A CA 1 ATOM 5617 C C . GLY A 1 753 ? -22.014 24.130 -29.282 1.00 37.48 ? 776 GLY A C 1 ATOM 5618 O O . GLY A 1 753 ? -21.547 23.180 -29.919 1.00 29.57 ? 776 GLY A O 1 ATOM 5619 N N . SER A 1 754 ? -21.443 24.620 -28.174 1.00 33.51 ? 777 SER A N 1 ATOM 5620 C CA . SER A 1 754 ? -20.145 24.182 -27.680 1.00 26.76 ? 777 SER A CA 1 ATOM 5621 C C . SER A 1 754 ? -20.218 23.419 -26.361 1.00 30.65 ? 777 SER A C 1 ATOM 5622 O O . SER A 1 754 ? -19.176 23.178 -25.732 1.00 27.34 ? 777 SER A O 1 ATOM 5623 C CB . SER A 1 754 ? -19.225 25.395 -27.548 1.00 26.37 ? 777 SER A CB 1 ATOM 5624 O OG . SER A 1 754 ? -18.952 25.920 -28.836 1.00 34.61 ? 777 SER A OG 1 ATOM 5625 N N . LEU A 1 755 ? -21.409 23.013 -25.935 1.00 27.79 ? 778 LEU A N 1 ATOM 5626 C CA . LEU A 1 755 ? -21.519 22.221 -24.722 1.00 28.26 ? 778 LEU A CA 1 ATOM 5627 C C . LEU A 1 755 ? -20.838 20.870 -24.869 1.00 26.26 ? 778 LEU A C 1 ATOM 5628 O O . LEU A 1 755 ? -20.864 20.234 -25.923 1.00 24.86 ? 778 LEU A O 1 ATOM 5629 C CB . LEU A 1 755 ? -22.975 21.994 -24.349 1.00 21.03 ? 778 LEU A CB 1 ATOM 5630 C CG . LEU A 1 755 ? -23.671 23.257 -23.854 1.00 27.57 ? 778 LEU A CG 1 ATOM 5631 C CD1 . LEU A 1 755 ? -25.189 23.020 -23.828 1.00 25.51 ? 778 LEU A CD1 1 ATOM 5632 C CD2 . LEU A 1 755 ? -23.134 23.680 -22.466 1.00 27.98 ? 778 LEU A CD2 1 ATOM 5633 N N . LYS A 1 756 ? -20.278 20.426 -23.759 1.00 22.07 ? 779 LYS A N 1 ATOM 5634 C CA . LYS A 1 756 ? -19.585 19.159 -23.637 1.00 26.89 ? 779 LYS A CA 1 ATOM 5635 C C . LYS A 1 756 ? -20.369 18.315 -22.641 1.00 26.11 ? 779 LYS A C 1 ATOM 5636 O O . LYS A 1 756 ? -20.645 18.772 -21.530 1.00 26.15 ? 779 LYS A O 1 ATOM 5637 C CB . LYS A 1 756 ? -18.153 19.430 -23.162 1.00 29.16 ? 779 LYS A CB 1 ATOM 5638 C CG . LYS A 1 756 ? -17.207 18.254 -23.120 1.00 28.97 ? 779 LYS A CG 1 ATOM 5639 C CD . LYS A 1 756 ? -15.840 18.763 -22.698 1.00 35.23 ? 779 LYS A CD 1 ATOM 5640 C CE . LYS A 1 756 ? -14.842 17.627 -22.560 1.00 42.44 ? 779 LYS A CE 1 ATOM 5641 N NZ . LYS A 1 756 ? -14.466 17.068 -23.904 1.00 43.64 ? 779 LYS A NZ 1 ATOM 5642 N N . VAL A 1 757 ? -20.759 17.099 -23.030 1.00 19.32 ? 780 VAL A N 1 ATOM 5643 C CA . VAL A 1 757 ? -21.528 16.240 -22.132 1.00 18.07 ? 780 VAL A CA 1 ATOM 5644 C C . VAL A 1 757 ? -20.768 14.934 -21.888 1.00 21.45 ? 780 VAL A C 1 ATOM 5645 O O . VAL A 1 757 ? -20.121 14.382 -22.790 1.00 18.74 ? 780 VAL A O 1 ATOM 5646 C CB . VAL A 1 757 ? -22.967 15.966 -22.648 1.00 19.80 ? 780 VAL A CB 1 ATOM 5647 C CG1 . VAL A 1 757 ? -22.975 15.106 -23.895 1.00 21.38 ? 780 VAL A CG1 1 ATOM 5648 C CG2 . VAL A 1 757 ? -23.847 15.312 -21.537 1.00 24.49 ? 780 VAL A CG2 1 ATOM 5649 N N . LEU A 1 758 ? -20.850 14.455 -20.653 1.00 22.91 ? 781 LEU A N 1 ATOM 5650 C CA . LEU A 1 758 ? -20.364 13.135 -20.250 1.00 20.45 ? 781 LEU A CA 1 ATOM 5651 C C . LEU A 1 758 ? -21.437 12.523 -19.355 1.00 17.36 ? 781 LEU A C 1 ATOM 5652 O O . LEU A 1 758 ? -21.661 13.015 -18.248 1.00 18.61 ? 781 LEU A O 1 ATOM 5653 C CB . LEU A 1 758 ? -19.033 13.251 -19.501 1.00 16.39 ? 781 LEU A CB 1 ATOM 5654 C CG . LEU A 1 758 ? -18.563 12.023 -18.706 1.00 21.46 ? 781 LEU A CG 1 ATOM 5655 C CD1 . LEU A 1 758 ? -18.250 10.846 -19.643 1.00 15.91 ? 781 LEU A CD1 1 ATOM 5656 C CD2 . LEU A 1 758 ? -17.315 12.383 -17.856 1.00 26.75 ? 781 LEU A CD2 1 ATOM 5657 N N . SER A 1 759 ? -22.093 11.464 -19.824 1.00 15.00 ? 782 SER A N 1 ATOM 5658 C CA . SER A 1 759 ? -23.141 10.805 -19.057 1.00 14.83 ? 782 SER A CA 1 ATOM 5659 C C . SER A 1 759 ? -22.707 9.396 -18.693 1.00 16.79 ? 782 SER A C 1 ATOM 5660 O O . SER A 1 759 ? -22.041 8.707 -19.477 1.00 16.23 ? 782 SER A O 1 ATOM 5661 C CB . SER A 1 759 ? -24.455 10.678 -19.839 1.00 15.02 ? 782 SER A CB 1 ATOM 5662 O OG . SER A 1 759 ? -24.920 11.925 -20.307 1.00 20.00 ? 782 SER A OG 1 ATOM 5663 N N . PHE A 1 760 ? -23.158 8.961 -17.519 1.00 14.87 ? 783 PHE A N 1 ATOM 5664 C CA . PHE A 1 760 ? -22.962 7.618 -16.997 1.00 14.93 ? 783 PHE A CA 1 ATOM 5665 C C . PHE A 1 760 ? -24.318 7.009 -16.665 1.00 16.50 ? 783 PHE A C 1 ATOM 5666 O O . PHE A 1 760 ? -25.222 7.691 -16.173 1.00 16.76 ? 783 PHE A O 1 ATOM 5667 C CB . PHE A 1 760 ? -22.116 7.629 -15.721 1.00 15.52 ? 783 PHE A CB 1 ATOM 5668 C CG . PHE A 1 760 ? -20.757 8.192 -15.899 1.00 17.56 ? 783 PHE A CG 1 ATOM 5669 C CD1 . PHE A 1 760 ? -19.719 7.399 -16.421 1.00 15.87 ? 783 PHE A CD1 1 ATOM 5670 C CD2 . PHE A 1 760 ? -20.491 9.489 -15.529 1.00 17.74 ? 783 PHE A CD2 1 ATOM 5671 C CE1 . PHE A 1 760 ? -18.456 7.902 -16.582 1.00 17.99 ? 783 PHE A CE1 1 ATOM 5672 C CE2 . PHE A 1 760 ? -19.204 10.025 -15.695 1.00 16.58 ? 783 PHE A CE2 1 ATOM 5673 C CZ . PHE A 1 760 ? -18.184 9.236 -16.209 1.00 23.67 ? 783 PHE A CZ 1 ATOM 5674 N N . ILE A 1 761 ? -24.437 5.711 -16.898 1.00 21.52 ? 784 ILE A N 1 ATOM 5675 C CA . ILE A 1 761 ? -25.561 4.934 -16.399 1.00 18.34 ? 784 ILE A CA 1 ATOM 5676 C C . ILE A 1 761 ? -24.956 3.815 -15.559 1.00 15.40 ? 784 ILE A C 1 ATOM 5677 O O . ILE A 1 761 ? -24.532 2.787 -16.086 1.00 18.07 ? 784 ILE A O 1 ATOM 5678 C CB . ILE A 1 761 ? -26.438 4.413 -17.539 1.00 17.64 ? 784 ILE A CB 1 ATOM 5679 C CG1 . ILE A 1 761 ? -27.008 5.611 -18.308 1.00 14.37 ? 784 ILE A CG1 1 ATOM 5680 C CG2 . ILE A 1 761 ? -27.549 3.435 -16.983 1.00 14.99 ? 784 ILE A CG2 1 ATOM 5681 C CD1 . ILE A 1 761 ? -28.003 5.223 -19.393 1.00 15.13 ? 784 ILE A CD1 1 ATOM 5682 N N . LEU A 1 762 ? -24.896 4.007 -14.251 1.00 18.13 ? 785 LEU A N 1 ATOM 5683 C CA . LEU A 1 762 ? -24.135 3.093 -13.400 1.00 19.44 ? 785 LEU A CA 1 ATOM 5684 C C . LEU A 1 762 ? -25.027 1.963 -12.917 1.00 19.92 ? 785 LEU A C 1 ATOM 5685 O O . LEU A 1 762 ? -26.028 2.233 -12.254 1.00 23.34 ? 785 LEU A O 1 ATOM 5686 C CB . LEU A 1 762 ? -23.563 3.838 -12.209 1.00 17.07 ? 785 LEU A CB 1 ATOM 5687 C CG . LEU A 1 762 ? -22.783 5.087 -12.632 1.00 25.16 ? 785 LEU A CG 1 ATOM 5688 C CD1 . LEU A 1 762 ? -22.387 5.954 -11.408 1.00 26.58 ? 785 LEU A CD1 1 ATOM 5689 C CD2 . LEU A 1 762 ? -21.562 4.686 -13.439 1.00 17.94 ? 785 LEU A CD2 1 ATOM 5690 N N . PRO A 1 763 ? -24.691 0.706 -13.194 1.00 18.42 ? 786 PRO A N 1 ATOM 5691 C CA . PRO A 1 763 ? -25.449 -0.421 -12.625 1.00 19.36 ? 786 PRO A CA 1 ATOM 5692 C C . PRO A 1 763 ? -25.450 -0.380 -11.104 1.00 23.91 ? 786 PRO A C 1 ATOM 5693 O O . PRO A 1 763 ? -24.404 -0.242 -10.460 1.00 23.62 ? 786 PRO A O 1 ATOM 5694 C CB . PRO A 1 763 ? -24.696 -1.659 -13.126 1.00 18.57 ? 786 PRO A CB 1 ATOM 5695 C CG . PRO A 1 763 ? -23.772 -1.172 -14.203 1.00 23.96 ? 786 PRO A CG 1 ATOM 5696 C CD . PRO A 1 763 ? -23.475 0.266 -13.900 1.00 19.28 ? 786 PRO A CD 1 ATOM 5697 N N . HIS A 1 764 ? -26.635 -0.530 -10.524 1.00 19.38 ? 787 HIS A N 1 ATOM 5698 C CA . HIS A 1 764 ? -26.779 -0.495 -9.070 1.00 22.23 ? 787 HIS A CA 1 ATOM 5699 C C . HIS A 1 764 ? -26.653 -1.922 -8.544 1.00 28.31 ? 787 HIS A C 1 ATOM 5700 O O . HIS A 1 764 ? -27.644 -2.625 -8.359 1.00 24.72 ? 787 HIS A O 1 ATOM 5701 C CB . HIS A 1 764 ? -28.105 0.152 -8.666 1.00 20.32 ? 787 HIS A CB 1 ATOM 5702 C CG . HIS A 1 764 ? -28.251 0.320 -7.190 1.00 21.26 ? 787 HIS A CG 1 ATOM 5703 N ND1 . HIS A 1 764 ? -29.465 0.259 -6.539 1.00 23.71 ? 787 HIS A ND1 1 ATOM 5704 C CD2 . HIS A 1 764 ? -27.321 0.507 -6.229 1.00 21.86 ? 787 HIS A CD2 1 ATOM 5705 C CE1 . HIS A 1 764 ? -29.282 0.411 -5.240 1.00 22.89 ? 787 HIS A CE1 1 ATOM 5706 N NE2 . HIS A 1 764 ? -27.986 0.556 -5.025 1.00 25.09 ? 787 HIS A NE2 1 ATOM 5707 N N . ARG A 1 765 ? -25.393 -2.378 -8.318 1.00 26.80 ? 788 ARG A N 1 ATOM 5708 C CA . ARG A 1 765 ? -25.220 -3.767 -7.962 1.00 25.79 ? 788 ARG A CA 1 ATOM 5709 C C . ARG A 1 765 ? -24.835 -3.931 -6.502 1.00 31.30 ? 788 ARG A C 1 ATOM 5710 O O . ARG A 1 765 ? -24.260 -3.024 -5.883 1.00 31.24 ? 788 ARG A O 1 ATOM 5711 C CB . ARG A 1 765 ? -24.164 -4.419 -8.855 1.00 23.64 ? 788 ARG A CB 1 ATOM 5712 C CG . ARG A 1 765 ? -24.684 -4.510 -10.313 1.00 21.24 ? 788 ARG A CG 1 ATOM 5713 C CD . ARG A 1 765 ? -23.648 -5.034 -11.241 1.00 28.09 ? 788 ARG A CD 1 ATOM 5714 N NE . ARG A 1 765 ? -23.256 -6.389 -10.881 1.00 31.12 ? 788 ARG A NE 1 ATOM 5715 C CZ . ARG A 1 765 ? -22.563 -7.186 -11.677 1.00 28.96 ? 788 ARG A CZ 1 ATOM 5716 N NH1 . ARG A 1 765 ? -22.206 -6.770 -12.889 1.00 25.97 ? 788 ARG A NH1 1 ATOM 5717 N NH2 . ARG A 1 765 ? -22.240 -8.398 -11.267 1.00 29.42 ? 788 ARG A NH2 1 ATOM 5718 N N . PRO A 1 766 ? -25.184 -5.085 -5.915 1.00 28.23 ? 789 PRO A N 1 ATOM 5719 C CA . PRO A 1 766 ? -24.880 -5.314 -4.490 1.00 26.92 ? 789 PRO A CA 1 ATOM 5720 C C . PRO A 1 766 ? -23.416 -5.636 -4.202 1.00 32.13 ? 789 PRO A C 1 ATOM 5721 O O . PRO A 1 766 ? -23.024 -5.669 -3.030 1.00 34.49 ? 789 PRO A O 1 ATOM 5722 C CB . PRO A 1 766 ? -25.772 -6.518 -4.107 1.00 30.36 ? 789 PRO A CB 1 ATOM 5723 C CG . PRO A 1 766 ? -26.050 -7.213 -5.500 1.00 30.18 ? 789 PRO A CG 1 ATOM 5724 C CD . PRO A 1 766 ? -26.188 -6.026 -6.417 1.00 26.31 ? 789 PRO A CD 1 ATOM 5725 N N . ASP A 1 767 ? -22.599 -5.929 -5.208 1.00 33.53 ? 790 ASP A N 1 ATOM 5726 C CA . ASP A 1 767 ? -21.173 -6.109 -4.970 1.00 30.05 ? 790 ASP A CA 1 ATOM 5727 C C . ASP A 1 767 ? -20.412 -5.413 -6.087 1.00 29.73 ? 790 ASP A C 1 ATOM 5728 O O . ASP A 1 767 ? -20.998 -4.881 -7.031 1.00 30.10 ? 790 ASP A O 1 ATOM 5729 C CB . ASP A 1 767 ? -20.772 -7.592 -4.843 1.00 32.42 ? 790 ASP A CB 1 ATOM 5730 C CG . ASP A 1 767 ? -20.954 -8.398 -6.150 1.00 38.15 ? 790 ASP A CG 1 ATOM 5731 O OD1 . ASP A 1 767 ? -20.490 -7.974 -7.233 1.00 34.90 ? 790 ASP A OD1 1 ATOM 5732 O OD2 . ASP A 1 767 ? -21.556 -9.491 -6.083 1.00 49.44 ? 790 ASP A OD2 1 ATOM 5733 N N . ASN A 1 768 ? -19.096 -5.406 -5.967 1.00 27.94 ? 791 ASN A N 1 ATOM 5734 C CA . ASN A 1 768 ? -18.202 -4.857 -6.979 1.00 30.16 ? 791 ASN A CA 1 ATOM 5735 C C . ASN A 1 768 ? -17.393 -5.961 -7.660 1.00 28.48 ? 791 ASN A C 1 ATOM 5736 O O . ASN A 1 768 ? -16.225 -5.775 -8.009 1.00 31.45 ? 791 ASN A O 1 ATOM 5737 C CB . ASN A 1 768 ? -17.309 -3.790 -6.346 1.00 26.87 ? 791 ASN A CB 1 ATOM 5738 C CG . ASN A 1 768 ? -18.072 -2.514 -6.066 1.00 30.95 ? 791 ASN A CG 1 ATOM 5739 O OD1 . ASN A 1 768 ? -18.709 -1.923 -6.956 1.00 41.99 ? 791 ASN A OD1 1 ATOM 5740 N ND2 . ASN A 1 768 ? -17.998 -2.062 -4.827 1.00 25.46 ? 791 ASN A ND2 1 ATOM 5741 N N . SER A 1 769 ? -18.022 -7.130 -7.869 1.00 28.55 ? 792 SER A N 1 ATOM 5742 C CA . SER A 1 769 ? -17.342 -8.220 -8.570 1.00 34.37 ? 792 SER A CA 1 ATOM 5743 C C . SER A 1 769 ? -17.062 -7.881 -10.033 1.00 26.69 ? 792 SER A C 1 ATOM 5744 O O . SER A 1 769 ? -16.102 -8.407 -10.609 1.00 29.57 ? 792 SER A O 1 ATOM 5745 C CB . SER A 1 769 ? -18.155 -9.519 -8.487 1.00 37.38 ? 792 SER A CB 1 ATOM 5746 O OG . SER A 1 769 ? -19.413 -9.395 -9.149 1.00 30.90 ? 792 SER A OG 1 ATOM 5747 N N . GLU A 1 770 ? -17.891 -7.034 -10.658 1.00 27.57 ? 793 GLU A N 1 ATOM 5748 C CA . GLU A 1 770 ? -17.585 -6.555 -12.005 1.00 27.56 ? 793 GLU A CA 1 ATOM 5749 C C . GLU A 1 770 ? -16.228 -5.860 -12.045 1.00 30.03 ? 793 GLU A C 1 ATOM 5750 O O . GLU A 1 770 ? -15.517 -5.911 -13.059 1.00 30.69 ? 793 GLU A O 1 ATOM 5751 C CB . GLU A 1 770 ? -18.674 -5.598 -12.515 1.00 21.92 ? 793 GLU A CB 1 ATOM 5752 C CG . GLU A 1 770 ? -18.504 -5.252 -13.996 1.00 20.84 ? 793 GLU A CG 1 ATOM 5753 C CD . GLU A 1 770 ? -19.359 -4.075 -14.470 1.00 20.49 ? 793 GLU A CD 1 ATOM 5754 O OE1 . GLU A 1 770 ? -20.316 -3.682 -13.764 1.00 24.23 ? 793 GLU A OE1 1 ATOM 5755 O OE2 . GLU A 1 770 ? -19.095 -3.546 -15.575 1.00 18.83 ? 793 GLU A OE2 1 ATOM 5756 N N . SER A 1 771 ? -15.851 -5.199 -10.959 1.00 29.25 ? 794 SER A N 1 ATOM 5757 C CA . SER A 1 771 ? -14.545 -4.565 -10.913 1.00 28.14 ? 794 SER A CA 1 ATOM 5758 C C . SER A 1 771 ? -13.496 -5.426 -10.228 1.00 29.87 ? 794 SER A C 1 ATOM 5759 O O . SER A 1 771 ? -12.379 -4.949 -10.025 1.00 30.07 ? 794 SER A O 1 ATOM 5760 C CB . SER A 1 771 ? -14.639 -3.213 -10.196 1.00 27.27 ? 794 SER A CB 1 ATOM 5761 O OG . SER A 1 771 ? -15.689 -2.444 -10.728 1.00 24.53 ? 794 SER A OG 1 ATOM 5762 N N . CYS A 1 772 ? -13.835 -6.662 -9.846 1.00 28.60 ? 795 CYS A N 1 ATOM 5763 C CA . CYS A 1 772 ? -12.946 -7.514 -9.057 1.00 33.75 ? 795 CYS A CA 1 ATOM 5764 C C . CYS A 1 772 ? -12.363 -6.765 -7.858 1.00 37.31 ? 795 CYS A C 1 ATOM 5765 O O . CYS A 1 772 ? -11.186 -6.925 -7.523 1.00 33.88 ? 795 CYS A O 1 ATOM 5766 C CB . CYS A 1 772 ? -11.822 -8.090 -9.926 1.00 35.76 ? 795 CYS A CB 1 ATOM 5767 S SG . CYS A 1 772 ? -12.446 -9.220 -11.182 1.00 33.12 ? 795 CYS A SG 1 ATOM 5768 N N . ALA A 1 773 ? -13.200 -5.947 -7.199 1.00 31.68 ? 796 ALA A N 1 ATOM 5769 C CA . ALA A 1 773 ? -12.723 -4.999 -6.203 1.00 39.71 ? 796 ALA A CA 1 ATOM 5770 C C . ALA A 1 773 ? -13.231 -5.239 -4.788 1.00 50.11 ? 796 ALA A C 1 ATOM 5771 O O . ALA A 1 773 ? -12.904 -4.448 -3.899 1.00 52.13 ? 796 ALA A O 1 ATOM 5772 C CB . ALA A 1 773 ? -13.090 -3.564 -6.612 1.00 28.60 ? 796 ALA A CB 1 ATOM 5773 N N . ASP A 1 774 ? -14.026 -6.284 -4.547 1.00 45.49 ? 797 ASP A N 1 ATOM 5774 C CA . ASP A 1 774 ? -14.559 -6.481 -3.205 1.00 50.74 ? 797 ASP A CA 1 ATOM 5775 C C . ASP A 1 774 ? -13.445 -6.772 -2.203 1.00 53.65 ? 797 ASP A C 1 ATOM 5776 O O . ASP A 1 774 ? -13.553 -6.387 -1.034 1.00 61.73 ? 797 ASP A O 1 ATOM 5777 C CB . ASP A 1 774 ? -15.616 -7.591 -3.212 1.00 50.85 ? 797 ASP A CB 1 ATOM 5778 C CG . ASP A 1 774 ? -16.901 -7.169 -3.930 1.00 48.65 ? 797 ASP A CG 1 ATOM 5779 O OD1 . ASP A 1 774 ? -17.480 -6.128 -3.573 1.00 44.29 ? 797 ASP A OD1 1 ATOM 5780 O OD2 . ASP A 1 774 ? -17.322 -7.869 -4.876 1.00 53.20 ? 797 ASP A OD2 1 ATOM 5781 N N . LYS A 1 775 ? -12.353 -7.397 -2.640 1.00 53.75 ? 798 LYS A N 1 ATOM 5782 C CA . LYS A 1 775 ? -11.173 -7.569 -1.795 1.00 58.58 ? 798 LYS A CA 1 ATOM 5783 C C . LYS A 1 775 ? -10.105 -6.499 -2.037 1.00 57.07 ? 798 LYS A C 1 ATOM 5784 O O . LYS A 1 775 ? -8.979 -6.643 -1.546 1.00 56.04 ? 798 LYS A O 1 ATOM 5785 C CB . LYS A 1 775 ? -10.562 -8.957 -2.012 1.00 59.45 ? 798 LYS A CB 1 ATOM 5786 C CG . LYS A 1 775 ? -11.553 -10.113 -2.013 1.00 62.25 ? 798 LYS A CG 1 ATOM 5787 C CD . LYS A 1 775 ? -11.991 -10.514 -0.613 1.00 64.68 ? 798 LYS A CD 1 ATOM 5788 C CE . LYS A 1 775 ? -12.549 -11.932 -0.612 1.00 64.27 ? 798 LYS A CE 1 ATOM 5789 N NZ . LYS A 1 775 ? -11.630 -12.885 -1.304 1.00 60.39 ? 798 LYS A NZ 1 ATOM 5790 N N . SER A 1 776 ? -10.434 -5.436 -2.785 1.00 56.01 ? 799 SER A N 1 ATOM 5791 C CA . SER A 1 776 ? -9.482 -4.379 -3.127 1.00 55.07 ? 799 SER A CA 1 ATOM 5792 C C . SER A 1 776 ? -9.406 -3.358 -1.996 1.00 54.11 ? 799 SER A C 1 ATOM 5793 O O . SER A 1 776 ? -10.449 -2.917 -1.499 1.00 48.07 ? 799 SER A O 1 ATOM 5794 C CB . SER A 1 776 ? -9.901 -3.693 -4.436 1.00 55.04 ? 799 SER A CB 1 ATOM 5795 O OG . SER A 1 776 ? -8.955 -2.723 -4.859 1.00 58.53 ? 799 SER A OG 1 ATOM 5796 N N . PRO A 1 777 ? -8.206 -2.950 -1.577 1.00 54.82 ? 800 PRO A N 1 ATOM 5797 C CA . PRO A 1 777 ? -8.071 -2.009 -0.454 1.00 57.53 ? 800 PRO A CA 1 ATOM 5798 C C . PRO A 1 777 ? -8.078 -0.541 -0.852 1.00 59.26 ? 800 PRO A C 1 ATOM 5799 O O . PRO A 1 777 ? -7.884 0.318 0.017 1.00 64.80 ? 800 PRO A O 1 ATOM 5800 C CB . PRO A 1 777 ? -6.703 -2.395 0.115 1.00 56.53 ? 800 PRO A CB 1 ATOM 5801 C CG . PRO A 1 777 ? -5.909 -2.691 -1.121 1.00 57.50 ? 800 PRO A CG 1 ATOM 5802 C CD . PRO A 1 777 ? -6.888 -3.321 -2.123 1.00 55.48 ? 800 PRO A CD 1 ATOM 5803 N N . ASP A 1 778 ? -8.273 -0.236 -2.129 1.00 55.63 ? 801 ASP A N 1 ATOM 5804 C CA . ASP A 1 778 ? -8.238 1.121 -2.640 1.00 47.91 ? 801 ASP A CA 1 ATOM 5805 C C . ASP A 1 778 ? -9.445 1.300 -3.538 1.00 48.38 ? 801 ASP A C 1 ATOM 5806 O O . ASP A 1 778 ? -10.249 0.380 -3.719 1.00 47.37 ? 801 ASP A O 1 ATOM 5807 C CB . ASP A 1 778 ? -6.939 1.400 -3.414 1.00 52.17 ? 801 ASP A CB 1 ATOM 5808 C CG . ASP A 1 778 ? -6.784 0.500 -4.636 1.00 50.65 ? 801 ASP A CG 1 ATOM 5809 O OD1 . ASP A 1 778 ? -7.429 0.771 -5.678 1.00 48.87 ? 801 ASP A OD1 1 ATOM 5810 O OD2 . ASP A 1 778 ? -6.020 -0.485 -4.550 1.00 59.58 ? 801 ASP A OD2 1 ATOM 5811 N N . ASN A 1 779 ? -9.557 2.485 -4.129 1.00 44.70 ? 802 ASN A N 1 ATOM 5812 C CA . ASN A 1 779 ? -10.660 2.776 -5.029 1.00 40.35 ? 802 ASN A CA 1 ATOM 5813 C C . ASN A 1 779 ? -10.174 3.221 -6.409 1.00 34.56 ? 802 ASN A C 1 ATOM 5814 O O . ASN A 1 779 ? -10.924 3.859 -7.145 1.00 34.06 ? 802 ASN A O 1 ATOM 5815 C CB . ASN A 1 779 ? -11.596 3.794 -4.373 1.00 43.98 ? 802 ASN A CB 1 ATOM 5816 C CG . ASN A 1 779 ? -12.418 3.171 -3.233 1.00 45.58 ? 802 ASN A CG 1 ATOM 5817 O OD1 . ASN A 1 779 ? -12.761 1.986 -3.280 1.00 52.35 ? 802 ASN A OD1 1 ATOM 5818 N ND2 . ASN A 1 779 ? -12.718 3.956 -2.209 1.00 42.76 ? 802 ASN A ND2 1 ATOM 5819 N N . LEU A 1 780 ? -8.950 2.831 -6.807 1.00 36.99 ? 803 LEU A N 1 ATOM 5820 C CA . LEU A 1 780 ? -8.429 3.221 -8.111 1.00 38.20 ? 803 LEU A CA 1 ATOM 5821 C C . LEU A 1 780 ? -9.115 2.485 -9.260 1.00 44.67 ? 803 LEU A C 1 ATOM 5822 O O . LEU A 1 780 ? -8.845 2.806 -10.421 1.00 49.09 ? 803 LEU A O 1 ATOM 5823 C CB . LEU A 1 780 ? -6.917 2.990 -8.179 1.00 40.08 ? 803 LEU A CB 1 ATOM 5824 C CG . LEU A 1 780 ? -6.034 3.705 -7.146 1.00 45.95 ? 803 LEU A CG 1 ATOM 5825 C CD1 . LEU A 1 780 ? -4.597 3.810 -7.644 1.00 43.76 ? 803 LEU A CD1 1 ATOM 5826 C CD2 . LEU A 1 780 ? -6.570 5.092 -6.780 1.00 44.21 ? 803 LEU A CD2 1 ATOM 5827 N N . TRP A 1 781 ? -9.998 1.524 -8.959 1.00 42.49 ? 804 TRP A N 1 ATOM 5828 C CA . TRP A 1 781 ? -10.785 0.777 -9.937 1.00 31.23 ? 804 TRP A CA 1 ATOM 5829 C C . TRP A 1 781 ? -12.075 1.484 -10.323 1.00 29.99 ? 804 TRP A C 1 ATOM 5830 O O . TRP A 1 781 ? -12.740 1.068 -11.287 1.00 30.46 ? 804 TRP A O 1 ATOM 5831 C CB . TRP A 1 781 ? -11.133 -0.597 -9.356 1.00 27.27 ? 804 TRP A CB 1 ATOM 5832 C CG . TRP A 1 781 ? -11.803 -0.452 -8.012 1.00 29.90 ? 804 TRP A CG 1 ATOM 5833 C CD1 . TRP A 1 781 ? -11.189 -0.392 -6.788 1.00 29.45 ? 804 TRP A CD1 1 ATOM 5834 C CD2 . TRP A 1 781 ? -13.205 -0.316 -7.763 1.00 26.84 ? 804 TRP A CD2 1 ATOM 5835 N NE1 . TRP A 1 781 ? -12.130 -0.241 -5.794 1.00 31.65 ? 804 TRP A NE1 1 ATOM 5836 C CE2 . TRP A 1 781 ? -13.374 -0.188 -6.367 1.00 32.65 ? 804 TRP A CE2 1 ATOM 5837 C CE3 . TRP A 1 781 ? -14.339 -0.277 -8.586 1.00 25.39 ? 804 TRP A CE3 1 ATOM 5838 C CZ2 . TRP A 1 781 ? -14.631 -0.031 -5.776 1.00 30.43 ? 804 TRP A CZ2 1 ATOM 5839 C CZ3 . TRP A 1 781 ? -15.589 -0.131 -7.988 1.00 27.15 ? 804 TRP A CZ3 1 ATOM 5840 C CH2 . TRP A 1 781 ? -15.719 -0.011 -6.601 1.00 26.01 ? 804 TRP A CH2 1 ATOM 5841 N N . VAL A 1 782 ? -12.465 2.520 -9.579 1.00 28.92 ? 805 VAL A N 1 ATOM 5842 C CA . VAL A 1 782 ? -13.761 3.148 -9.804 1.00 27.21 ? 805 VAL A CA 1 ATOM 5843 C C . VAL A 1 782 ? -13.794 3.849 -11.152 1.00 27.60 ? 805 VAL A C 1 ATOM 5844 O O . VAL A 1 782 ? -14.763 3.729 -11.910 1.00 23.93 ? 805 VAL A O 1 ATOM 5845 C CB . VAL A 1 782 ? -14.098 4.131 -8.674 1.00 25.67 ? 805 VAL A CB 1 ATOM 5846 C CG1 . VAL A 1 782 ? -15.338 4.887 -9.049 1.00 22.62 ? 805 VAL A CG1 1 ATOM 5847 C CG2 . VAL A 1 782 ? -14.276 3.386 -7.332 1.00 26.67 ? 805 VAL A CG2 1 ATOM 5848 N N . GLU A 1 783 ? -12.763 4.635 -11.446 1.00 29.82 ? 806 GLU A N 1 ATOM 5849 C CA . GLU A 1 783 ? -12.730 5.342 -12.727 1.00 32.78 ? 806 GLU A CA 1 ATOM 5850 C C . GLU A 1 783 ? -12.871 4.372 -13.891 1.00 22.24 ? 806 GLU A C 1 ATOM 5851 O O . GLU A 1 783 ? -13.612 4.637 -14.845 1.00 25.45 ? 806 GLU A O 1 ATOM 5852 C CB . GLU A 1 783 ? -11.432 6.140 -12.863 1.00 31.00 ? 806 GLU A CB 1 ATOM 5853 C CG . GLU A 1 783 ? -11.358 6.960 -14.157 1.00 45.00 ? 806 GLU A CG 1 ATOM 5854 C CD . GLU A 1 783 ? -10.521 8.224 -13.985 1.00 54.83 ? 806 GLU A CD 1 ATOM 5855 O OE1 . GLU A 1 783 ? -11.006 9.313 -14.331 1.00 58.34 ? 806 GLU A OE1 1 ATOM 5856 O OE2 . GLU A 1 783 ? -9.389 8.119 -13.485 1.00 61.96 ? 806 GLU A OE2 1 ATOM 5857 N N . GLU A 1 784 ? -12.174 3.241 -13.828 1.00 21.29 ? 807 GLU A N 1 ATOM 5858 C CA . GLU A 1 784 ? -12.240 2.294 -14.939 1.00 29.05 ? 807 GLU A CA 1 ATOM 5859 C C . GLU A 1 784 ? -13.631 1.715 -15.071 1.00 25.88 ? 807 GLU A C 1 ATOM 5860 O O . GLU A 1 784 ? -14.158 1.604 -16.183 1.00 23.84 ? 807 GLU A O 1 ATOM 5861 C CB . GLU A 1 784 ? -11.237 1.158 -14.772 1.00 32.36 ? 807 GLU A CB 1 ATOM 5862 C CG . GLU A 1 784 ? -11.573 -0.082 -15.624 1.00 43.80 ? 807 GLU A CG 1 ATOM 5863 C CD . GLU A 1 784 ? -10.396 -1.049 -15.787 1.00 58.30 ? 807 GLU A CD 1 ATOM 5864 O OE1 . GLU A 1 784 ? -9.362 -0.636 -16.354 1.00 64.54 ? 807 GLU A OE1 1 ATOM 5865 O OE2 . GLU A 1 784 ? -10.504 -2.218 -15.356 1.00 58.97 ? 807 GLU A OE2 1 ATOM 5866 N N . ARG A 1 785 ? -14.238 1.354 -13.942 1.00 25.45 ? 808 ARG A N 1 ATOM 5867 C CA . ARG A 1 785 ? -15.594 0.840 -13.972 1.00 23.68 ? 808 ARG A CA 1 ATOM 5868 C C . ARG A 1 785 ? -16.548 1.856 -14.588 1.00 22.42 ? 808 ARG A C 1 ATOM 5869 O O . ARG A 1 785 ? -17.327 1.514 -15.486 1.00 21.49 ? 808 ARG A O 1 ATOM 5870 C CB . ARG A 1 785 ? -16.028 0.421 -12.555 1.00 23.02 ? 808 ARG A CB 1 ATOM 5871 C CG . ARG A 1 785 ? -17.393 -0.324 -12.494 1.00 19.93 ? 808 ARG A CG 1 ATOM 5872 C CD . ARG A 1 785 ? -17.438 -1.514 -13.435 1.00 19.79 ? 808 ARG A CD 1 ATOM 5873 N NE . ARG A 1 785 ? -16.121 -2.130 -13.477 1.00 22.12 ? 808 ARG A NE 1 ATOM 5874 C CZ . ARG A 1 785 ? -15.588 -2.690 -14.551 1.00 20.89 ? 808 ARG A CZ 1 ATOM 5875 N NH1 . ARG A 1 785 ? -16.291 -2.787 -15.679 1.00 22.37 ? 808 ARG A NH1 1 ATOM 5876 N NH2 . ARG A 1 785 ? -14.352 -3.160 -14.481 1.00 23.88 ? 808 ARG A NH2 1 ATOM 5877 N N . MET A 1 786 ? -16.453 3.125 -14.175 1.00 21.54 ? 809 MET A N 1 ATOM 5878 C CA . MET A 1 786 ? -17.378 4.124 -14.696 1.00 22.16 ? 809 MET A CA 1 ATOM 5879 C C . MET A 1 786 ? -17.181 4.343 -16.191 1.00 17.59 ? 809 MET A C 1 ATOM 5880 O O . MET A 1 786 ? -18.159 4.545 -16.912 1.00 20.27 ? 809 MET A O 1 ATOM 5881 C CB . MET A 1 786 ? -17.221 5.450 -13.935 1.00 22.31 ? 809 MET A CB 1 ATOM 5882 C CG . MET A 1 786 ? -17.574 5.348 -12.445 1.00 23.73 ? 809 MET A CG 1 ATOM 5883 S SD . MET A 1 786 ? -17.497 6.964 -11.640 1.00 24.28 ? 809 MET A SD 1 ATOM 5884 C CE . MET A 1 786 ? -18.764 7.845 -12.550 1.00 24.84 ? 809 MET A CE 1 ATOM 5885 N N . GLN A 1 787 ? -15.930 4.243 -16.663 1.00 20.94 ? 810 GLN A N 1 ATOM 5886 C CA . GLN A 1 787 ? -15.604 4.517 -18.057 1.00 21.43 ? 810 GLN A CA 1 ATOM 5887 C C . GLN A 1 787 ? -16.258 3.528 -19.005 1.00 18.95 ? 810 GLN A C 1 ATOM 5888 O O . GLN A 1 787 ? -16.480 3.855 -20.178 1.00 18.34 ? 810 GLN A O 1 ATOM 5889 C CB . GLN A 1 787 ? -14.080 4.478 -18.253 1.00 21.33 ? 810 GLN A CB 1 ATOM 5890 C CG . GLN A 1 787 ? -13.371 5.731 -17.775 1.00 23.72 ? 810 GLN A CG 1 ATOM 5891 C CD . GLN A 1 787 ? -11.884 5.685 -18.014 1.00 27.62 ? 810 GLN A CD 1 ATOM 5892 O OE1 . GLN A 1 787 ? -11.348 4.693 -18.492 1.00 39.76 ? 810 GLN A OE1 1 ATOM 5893 N NE2 . GLN A 1 787 ? -11.205 6.760 -17.668 1.00 34.59 ? 810 GLN A NE2 1 ATOM 5894 N N . THR A 1 788 ? -16.519 2.303 -18.560 1.00 19.82 ? 811 THR A N 1 ATOM 5895 C CA . THR A 1 788 ? -17.174 1.384 -19.482 1.00 16.17 ? 811 THR A CA 1 ATOM 5896 C C . THR A 1 788 ? -18.684 1.520 -19.428 1.00 15.59 ? 811 THR A C 1 ATOM 5897 O O . THR A 1 788 ? -19.386 0.902 -20.237 1.00 17.44 ? 811 THR A O 1 ATOM 5898 C CB . THR A 1 788 ? -16.720 -0.074 -19.246 1.00 30.11 ? 811 THR A CB 1 ATOM 5899 O OG1 . THR A 1 788 ? -17.069 -0.858 -20.400 1.00 35.28 ? 811 THR A OG1 1 ATOM 5900 C CG2 . THR A 1 788 ? -17.366 -0.709 -18.033 1.00 24.79 ? 811 THR A CG2 1 ATOM 5901 N N . HIS A 1 789 ? -19.196 2.372 -18.543 1.00 15.57 ? 812 HIS A N 1 ATOM 5902 C CA . HIS A 1 789 ? -20.629 2.569 -18.404 1.00 15.18 ? 812 HIS A CA 1 ATOM 5903 C C . HIS A 1 789 ? -21.059 3.991 -18.761 1.00 16.85 ? 812 HIS A C 1 ATOM 5904 O O . HIS A 1 789 ? -22.038 4.488 -18.210 1.00 14.74 ? 812 HIS A O 1 ATOM 5905 C CB . HIS A 1 789 ? -21.072 2.217 -16.984 1.00 21.39 ? 812 HIS A CB 1 ATOM 5906 C CG . HIS A 1 789 ? -21.028 0.749 -16.702 1.00 19.41 ? 812 HIS A CG 1 ATOM 5907 N ND1 . HIS A 1 789 ? -22.024 -0.108 -17.116 1.00 18.33 ? 812 HIS A ND1 1 ATOM 5908 C CD2 . HIS A 1 789 ? -20.079 -0.019 -16.117 1.00 16.86 ? 812 HIS A CD2 1 ATOM 5909 C CE1 . HIS A 1 789 ? -21.722 -1.339 -16.729 1.00 18.22 ? 812 HIS A CE1 1 ATOM 5910 N NE2 . HIS A 1 789 ? -20.541 -1.313 -16.131 1.00 20.86 ? 812 HIS A NE2 1 ATOM 5911 N N . THR A 1 790 ? -20.325 4.670 -19.650 1.00 14.65 ? 813 THR A N 1 ATOM 5912 C CA . THR A 1 790 ? -20.832 5.928 -20.161 1.00 15.08 ? 813 THR A CA 1 ATOM 5913 C C . THR A 1 790 ? -22.037 5.649 -21.054 1.00 17.55 ? 813 THR A C 1 ATOM 5914 O O . THR A 1 790 ? -22.351 4.500 -21.394 1.00 15.62 ? 813 THR A O 1 ATOM 5915 C CB . THR A 1 790 ? -19.789 6.704 -20.975 1.00 18.59 ? 813 THR A CB 1 ATOM 5916 O OG1 . THR A 1 790 ? -19.509 5.982 -22.202 1.00 14.27 ? 813 THR A OG1 1 ATOM 5917 C CG2 . THR A 1 790 ? -18.489 6.929 -20.164 1.00 15.09 ? 813 THR A CG2 1 ATOM 5918 N N . ALA A 1 791 ? -22.719 6.716 -21.436 1.00 14.23 ? 814 ALA A N 1 ATOM 5919 C CA . ALA A 1 791 ? -23.921 6.515 -22.228 1.00 19.19 ? 814 ALA A CA 1 ATOM 5920 C C . ALA A 1 791 ? -24.254 7.810 -22.962 1.00 20.48 ? 814 ALA A C 1 ATOM 5921 O O . ALA A 1 791 ? -23.723 8.869 -22.641 1.00 17.33 ? 814 ALA A O 1 ATOM 5922 C CB . ALA A 1 791 ? -25.080 6.073 -21.341 1.00 15.41 ? 814 ALA A CB 1 ATOM 5923 N N . ARG A 1 792 ? -25.131 7.709 -23.962 1.00 13.51 ? 815 ARG A N 1 ATOM 5924 C CA . ARG A 1 792 ? -25.628 8.920 -24.609 1.00 13.89 ? 815 ARG A CA 1 ATOM 5925 C C . ARG A 1 792 ? -26.663 9.555 -23.686 1.00 15.82 ? 815 ARG A C 1 ATOM 5926 O O . ARG A 1 792 ? -27.335 8.857 -22.931 1.00 17.16 ? 815 ARG A O 1 ATOM 5927 C CB . ARG A 1 792 ? -26.287 8.603 -25.955 1.00 13.72 ? 815 ARG A CB 1 ATOM 5928 C CG . ARG A 1 792 ? -25.412 7.807 -27.010 1.00 13.54 ? 815 ARG A CG 1 ATOM 5929 C CD . ARG A 1 792 ? -26.268 7.219 -28.127 1.00 16.51 ? 815 ARG A CD 1 ATOM 5930 N NE . ARG A 1 792 ? -27.547 6.692 -27.676 1.00 17.09 ? 815 ARG A NE 1 ATOM 5931 C CZ . ARG A 1 792 ? -28.683 6.689 -28.387 1.00 21.37 ? 815 ARG A CZ 1 ATOM 5932 N NH1 . ARG A 1 792 ? -28.706 7.170 -29.623 1.00 14.26 ? 815 ARG A NH1 1 ATOM 5933 N NH2 . ARG A 1 792 ? -29.819 6.183 -27.849 1.00 17.17 ? 815 ARG A NH2 1 ATOM 5934 N N . VAL A 1 793 ? -26.812 10.882 -23.758 1.00 14.30 ? 816 VAL A N 1 ATOM 5935 C CA . VAL A 1 793 ? -27.940 11.470 -23.019 1.00 17.37 ? 816 VAL A CA 1 ATOM 5936 C C . VAL A 1 793 ? -29.243 10.820 -23.459 1.00 17.97 ? 816 VAL A C 1 ATOM 5937 O O . VAL A 1 793 ? -30.169 10.640 -22.660 1.00 18.54 ? 816 VAL A O 1 ATOM 5938 C CB . VAL A 1 793 ? -27.991 12.998 -23.209 1.00 16.93 ? 816 VAL A CB 1 ATOM 5939 C CG1 . VAL A 1 793 ? -29.341 13.588 -22.734 1.00 15.65 ? 816 VAL A CG1 1 ATOM 5940 C CG2 . VAL A 1 793 ? -26.798 13.646 -22.478 1.00 16.63 ? 816 VAL A CG2 1 ATOM 5941 N N . ARG A 1 794 ? -29.335 10.472 -24.737 1.00 17.52 ? 817 ARG A N 1 ATOM 5942 C CA . ARG A 1 794 ? -30.538 9.828 -25.245 1.00 21.85 ? 817 ARG A CA 1 ATOM 5943 C C . ARG A 1 794 ? -30.797 8.486 -24.555 1.00 17.53 ? 817 ARG A C 1 ATOM 5944 O O . ARG A 1 794 ? -31.957 8.121 -24.339 1.00 17.88 ? 817 ARG A O 1 ATOM 5945 C CB . ARG A 1 794 ? -30.438 9.665 -26.765 1.00 19.62 ? 817 ARG A CB 1 ATOM 5946 C CG . ARG A 1 794 ? -31.704 9.135 -27.404 1.00 24.89 ? 817 ARG A CG 1 ATOM 5947 C CD . ARG A 1 794 ? -32.861 10.115 -27.174 1.00 30.54 ? 817 ARG A CD 1 ATOM 5948 N NE . ARG A 1 794 ? -34.092 9.592 -27.726 1.00 26.27 ? 817 ARG A NE 1 ATOM 5949 C CZ . ARG A 1 794 ? -35.282 9.803 -27.202 1.00 34.58 ? 817 ARG A CZ 1 ATOM 5950 N NH1 . ARG A 1 794 ? -35.399 10.530 -26.097 1.00 28.61 ? 817 ARG A NH1 1 ATOM 5951 N NH2 . ARG A 1 794 ? -36.358 9.286 -27.789 1.00 39.17 ? 817 ARG A NH2 1 ATOM 5952 N N . ASP A 1 795 ? -29.745 7.746 -24.179 1.00 15.01 ? 818 ASP A N 1 ATOM 5953 C CA . ASP A 1 795 ? -29.993 6.508 -23.430 1.00 14.75 ? 818 ASP A CA 1 ATOM 5954 C C . ASP A 1 795 ? -30.611 6.820 -22.075 1.00 14.42 ? 818 ASP A C 1 ATOM 5955 O O . ASP A 1 795 ? -31.498 6.098 -21.611 1.00 17.95 ? 818 ASP A O 1 ATOM 5956 C CB . ASP A 1 795 ? -28.714 5.693 -23.213 1.00 13.80 ? 818 ASP A CB 1 ATOM 5957 C CG . ASP A 1 795 ? -28.019 5.318 -24.506 1.00 15.83 ? 818 ASP A CG 1 ATOM 5958 O OD1 . ASP A 1 795 ? -28.730 4.969 -25.468 1.00 19.11 ? 818 ASP A OD1 1 ATOM 5959 O OD2 . ASP A 1 795 ? -26.762 5.357 -24.544 1.00 17.61 ? 818 ASP A OD2 1 ATOM 5960 N N . VAL A 1 796 ? -30.137 7.891 -21.425 1.00 16.09 ? 819 VAL A N 1 ATOM 5961 C CA . VAL A 1 796 ? -30.651 8.275 -20.110 1.00 17.18 ? 819 VAL A CA 1 ATOM 5962 C C . VAL A 1 796 ? -32.112 8.672 -20.227 1.00 17.25 ? 819 VAL A C 1 ATOM 5963 O O . VAL A 1 796 ? -32.957 8.287 -19.405 1.00 17.08 ? 819 VAL A O 1 ATOM 5964 C CB . VAL A 1 796 ? -29.813 9.424 -19.511 1.00 18.55 ? 819 VAL A CB 1 ATOM 5965 C CG1 . VAL A 1 796 ? -30.469 9.948 -18.202 1.00 20.43 ? 819 VAL A CG1 1 ATOM 5966 C CG2 . VAL A 1 796 ? -28.372 8.978 -19.236 1.00 19.13 ? 819 VAL A CG2 1 ATOM 5967 N N . GLU A 1 797 ? -32.423 9.459 -21.253 1.00 20.07 ? 820 GLU A N 1 ATOM 5968 C CA . GLU A 1 797 ? -33.801 9.892 -21.486 1.00 20.34 ? 820 GLU A CA 1 ATOM 5969 C C . GLU A 1 797 ? -34.730 8.702 -21.725 1.00 20.70 ? 820 GLU A C 1 ATOM 5970 O O . GLU A 1 797 ? -35.828 8.633 -21.148 1.00 20.59 ? 820 GLU A O 1 ATOM 5971 C CB . GLU A 1 797 ? -33.845 10.855 -22.663 1.00 17.83 ? 820 GLU A CB 1 ATOM 5972 C CG . GLU A 1 797 ? -33.096 12.151 -22.430 1.00 24.34 ? 820 GLU A CG 1 ATOM 5973 C CD . GLU A 1 797 ? -33.337 13.125 -23.564 1.00 28.78 ? 820 GLU A CD 1 ATOM 5974 O OE1 . GLU A 1 797 ? -33.403 14.357 -23.320 1.00 27.40 ? 820 GLU A OE1 1 ATOM 5975 O OE2 . GLU A 1 797 ? -33.498 12.629 -24.709 1.00 23.77 ? 820 GLU A OE2 1 ATOM 5976 N N . LEU A 1 798 ? -34.287 7.726 -22.528 1.00 20.88 ? 821 LEU A N 1 ATOM 5977 C CA . LEU A 1 798 ? -35.129 6.549 -22.773 1.00 21.54 ? 821 LEU A CA 1 ATOM 5978 C C . LEU A 1 798 ? -35.407 5.788 -21.482 1.00 18.01 ? 821 LEU A C 1 ATOM 5979 O O . LEU A 1 798 ? -36.530 5.317 -21.253 1.00 19.59 ? 821 LEU A O 1 ATOM 5980 C CB . LEU A 1 798 ? -34.481 5.613 -23.815 1.00 16.93 ? 821 LEU A CB 1 ATOM 5981 C CG . LEU A 1 798 ? -34.483 6.126 -25.271 1.00 21.62 ? 821 LEU A CG 1 ATOM 5982 C CD1 . LEU A 1 798 ? -33.440 5.366 -26.109 1.00 17.18 ? 821 LEU A CD1 1 ATOM 5983 C CD2 . LEU A 1 798 ? -35.891 6.086 -25.928 1.00 21.56 ? 821 LEU A CD2 1 ATOM 5984 N N . LEU A 1 799 ? -34.396 5.650 -20.633 1.00 15.97 ? 822 LEU A N 1 ATOM 5985 C CA . LEU A 1 799 ? -34.538 4.869 -19.408 1.00 16.23 ? 822 LEU A CA 1 ATOM 5986 C C . LEU A 1 799 ? -35.286 5.611 -18.312 1.00 18.57 ? 822 LEU A C 1 ATOM 5987 O O . LEU A 1 799 ? -35.817 4.951 -17.409 1.00 23.99 ? 822 LEU A O 1 ATOM 5988 C CB . LEU A 1 799 ? -33.161 4.447 -18.893 1.00 15.75 ? 822 LEU A CB 1 ATOM 5989 C CG . LEU A 1 799 ? -32.573 3.247 -19.633 1.00 18.29 ? 822 LEU A CG 1 ATOM 5990 C CD1 . LEU A 1 799 ? -31.066 3.172 -19.492 1.00 15.03 ? 822 LEU A CD1 1 ATOM 5991 C CD2 . LEU A 1 799 ? -33.233 2.003 -19.051 1.00 16.08 ? 822 LEU A CD2 1 ATOM 5992 N N . THR A 1 800 ? -35.336 6.957 -18.360 1.00 18.02 ? 823 THR A N 1 ATOM 5993 C CA . THR A 1 800 ? -35.975 7.760 -17.321 1.00 17.33 ? 823 THR A CA 1 ATOM 5994 C C . THR A 1 800 ? -37.286 8.401 -17.728 1.00 21.11 ? 823 THR A C 1 ATOM 5995 O O . THR A 1 800 ? -38.043 8.822 -16.842 1.00 22.03 ? 823 THR A O 1 ATOM 5996 C CB . THR A 1 800 ? -35.055 8.900 -16.837 1.00 21.67 ? 823 THR A CB 1 ATOM 5997 O OG1 . THR A 1 800 ? -34.757 9.765 -17.931 1.00 19.89 ? 823 THR A OG1 1 ATOM 5998 C CG2 . THR A 1 800 ? -33.765 8.368 -16.301 1.00 21.60 ? 823 THR A CG2 1 ATOM 5999 N N . GLY A 1 801 ? -37.591 8.487 -19.019 1.00 25.67 ? 824 GLY A N 1 ATOM 6000 C CA . GLY A 1 801 ? -38.737 9.296 -19.413 1.00 25.74 ? 824 GLY A CA 1 ATOM 6001 C C . GLY A 1 801 ? -38.541 10.790 -19.224 1.00 23.85 ? 824 GLY A C 1 ATOM 6002 O O . GLY A 1 801 ? -39.521 11.546 -19.201 1.00 25.70 ? 824 GLY A O 1 ATOM 6003 N N . LEU A 1 802 ? -37.312 11.239 -19.052 1.00 22.50 ? 825 LEU A N 1 ATOM 6004 C CA . LEU A 1 802 ? -37.002 12.659 -18.919 1.00 24.62 ? 825 LEU A CA 1 ATOM 6005 C C . LEU A 1 802 ? -36.501 13.185 -20.247 1.00 24.19 ? 825 LEU A C 1 ATOM 6006 O O . LEU A 1 802 ? -35.924 12.440 -21.042 1.00 22.38 ? 825 LEU A O 1 ATOM 6007 C CB . LEU A 1 802 ? -35.920 12.878 -17.865 1.00 21.00 ? 825 LEU A CB 1 ATOM 6008 C CG . LEU A 1 802 ? -36.324 12.333 -16.503 1.00 22.09 ? 825 LEU A CG 1 ATOM 6009 C CD1 . LEU A 1 802 ? -35.147 12.496 -15.547 1.00 18.54 ? 825 LEU A CD1 1 ATOM 6010 C CD2 . LEU A 1 802 ? -37.590 13.119 -16.026 1.00 21.95 ? 825 LEU A CD2 1 ATOM 6011 N N . ASP A 1 803 ? -36.702 14.481 -20.475 1.00 26.53 ? 826 ASP A N 1 ATOM 6012 C CA . ASP A 1 803 ? -36.171 15.133 -21.666 1.00 26.82 ? 826 ASP A CA 1 ATOM 6013 C C . ASP A 1 803 ? -35.355 16.358 -21.258 1.00 21.24 ? 826 ASP A C 1 ATOM 6014 O O . ASP A 1 803 ? -35.900 17.308 -20.691 1.00 20.45 ? 826 ASP A O 1 ATOM 6015 C CB . ASP A 1 803 ? -37.300 15.517 -22.630 1.00 28.13 ? 826 ASP A CB 1 ATOM 6016 C CG . ASP A 1 803 ? -36.777 15.798 -24.025 1.00 44.38 ? 826 ASP A CG 1 ATOM 6017 O OD1 . ASP A 1 803 ? -36.417 14.831 -24.737 1.00 52.21 ? 826 ASP A OD1 1 ATOM 6018 O OD2 . ASP A 1 803 ? -36.704 16.983 -24.409 1.00 51.02 ? 826 ASP A OD2 1 ATOM 6019 N N . PHE A 1 804 ? -34.064 16.340 -21.555 1.00 21.07 ? 827 PHE A N 1 ATOM 6020 C CA . PHE A 1 804 ? -33.153 17.365 -21.076 1.00 24.58 ? 827 PHE A CA 1 ATOM 6021 C C . PHE A 1 804 ? -32.930 18.449 -22.122 1.00 19.78 ? 827 PHE A C 1 ATOM 6022 O O . PHE A 1 804 ? -33.275 18.299 -23.293 1.00 32.74 ? 827 PHE A O 1 ATOM 6023 C CB . PHE A 1 804 ? -31.796 16.754 -20.688 1.00 20.27 ? 827 PHE A CB 1 ATOM 6024 C CG . PHE A 1 804 ? -31.890 15.603 -19.749 1.00 23.98 ? 827 PHE A CG 1 ATOM 6025 C CD1 . PHE A 1 804 ? -32.055 15.813 -18.395 1.00 30.25 ? 827 PHE A CD1 1 ATOM 6026 C CD2 . PHE A 1 804 ? -31.797 14.300 -20.214 1.00 24.25 ? 827 PHE A CD2 1 ATOM 6027 C CE1 . PHE A 1 804 ? -32.139 14.750 -17.518 1.00 28.36 ? 827 PHE A CE1 1 ATOM 6028 C CE2 . PHE A 1 804 ? -31.869 13.230 -19.345 1.00 20.47 ? 827 PHE A CE2 1 ATOM 6029 C CZ . PHE A 1 804 ? -32.035 13.450 -17.998 1.00 22.76 ? 827 PHE A CZ 1 ATOM 6030 N N . TYR A 1 805 ? -32.356 19.563 -21.660 1.00 25.75 ? 828 TYR A N 1 ATOM 6031 C CA . TYR A 1 805 ? -31.847 20.663 -22.496 1.00 25.63 ? 828 TYR A CA 1 ATOM 6032 C C . TYR A 1 805 ? -32.936 21.403 -23.259 1.00 23.97 ? 828 TYR A C 1 ATOM 6033 O O . TYR A 1 805 ? -32.673 21.972 -24.320 1.00 30.68 ? 828 TYR A O 1 ATOM 6034 C CB . TYR A 1 805 ? -30.781 20.175 -23.493 1.00 25.52 ? 828 TYR A CB 1 ATOM 6035 C CG . TYR A 1 805 ? -29.582 19.523 -22.853 1.00 22.66 ? 828 TYR A CG 1 ATOM 6036 C CD1 . TYR A 1 805 ? -28.635 20.276 -22.184 1.00 26.65 ? 828 TYR A CD1 1 ATOM 6037 C CD2 . TYR A 1 805 ? -29.370 18.161 -22.970 1.00 26.88 ? 828 TYR A CD2 1 ATOM 6038 C CE1 . TYR A 1 805 ? -27.528 19.688 -21.604 1.00 26.04 ? 828 TYR A CE1 1 ATOM 6039 C CE2 . TYR A 1 805 ? -28.275 17.557 -22.400 1.00 23.34 ? 828 TYR A CE2 1 ATOM 6040 C CZ . TYR A 1 805 ? -27.351 18.317 -21.713 1.00 27.74 ? 828 TYR A CZ 1 ATOM 6041 O OH . TYR A 1 805 ? -26.248 17.710 -21.139 1.00 25.22 ? 828 TYR A OH 1 ATOM 6042 N N . SER A 1 806 ? -34.152 21.466 -22.738 1.00 25.98 ? 829 SER A N 1 ATOM 6043 C CA . SER A 1 806 ? -35.225 22.099 -23.510 1.00 31.88 ? 829 SER A CA 1 ATOM 6044 C C . SER A 1 806 ? -35.030 23.606 -23.723 1.00 35.21 ? 829 SER A C 1 ATOM 6045 O O . SER A 1 806 ? -35.645 24.157 -24.651 1.00 33.97 ? 829 SER A O 1 ATOM 6046 C CB . SER A 1 806 ? -36.582 21.860 -22.842 1.00 36.97 ? 829 SER A CB 1 ATOM 6047 O OG . SER A 1 806 ? -36.530 22.165 -21.457 1.00 43.96 ? 829 SER A OG 1 ATOM 6048 N N . ALA A 1 807 ? -34.219 24.291 -22.899 1.00 30.23 ? 830 ALA A N 1 ATOM 6049 C CA . ALA A 1 807 ? -34.092 25.750 -23.018 1.00 36.86 ? 830 ALA A CA 1 ATOM 6050 C C . ALA A 1 807 ? -32.924 26.211 -23.886 1.00 36.06 ? 830 ALA A C 1 ATOM 6051 O O . ALA A 1 807 ? -32.746 27.425 -24.053 1.00 36.06 ? 830 ALA A O 1 ATOM 6052 C CB . ALA A 1 807 ? -33.951 26.407 -21.644 1.00 35.17 ? 830 ALA A CB 1 ATOM 6053 N N . LEU A 1 808 ? -32.119 25.298 -24.433 1.00 27.14 ? 831 LEU A N 1 ATOM 6054 C CA . LEU A 1 808 ? -30.973 25.710 -25.240 1.00 30.22 ? 831 LEU A CA 1 ATOM 6055 C C . LEU A 1 808 ? -31.403 26.529 -26.462 1.00 35.62 ? 831 LEU A C 1 ATOM 6056 O O . LEU A 1 808 ? -32.280 26.119 -27.225 1.00 38.75 ? 831 LEU A O 1 ATOM 6057 C CB . LEU A 1 808 ? -30.163 24.487 -25.677 1.00 29.56 ? 831 LEU A CB 1 ATOM 6058 C CG . LEU A 1 808 ? -29.508 23.624 -24.608 1.00 29.82 ? 831 LEU A CG 1 ATOM 6059 C CD1 . LEU A 1 808 ? -28.649 22.555 -25.300 1.00 23.36 ? 831 LEU A CD1 1 ATOM 6060 C CD2 . LEU A 1 808 ? -28.676 24.498 -23.633 1.00 31.18 ? 831 LEU A CD2 1 ATOM 6061 N N . LYS A 1 809 ? -30.777 27.697 -26.648 1.00 38.13 ? 832 LYS A N 1 ATOM 6062 C CA . LYS A 1 809 ? -31.107 28.589 -27.762 1.00 34.82 ? 832 LYS A CA 1 ATOM 6063 C C . LYS A 1 809 ? -30.302 28.196 -29.001 1.00 34.50 ? 832 LYS A C 1 ATOM 6064 O O . LYS A 1 809 ? -29.359 28.868 -29.427 1.00 33.57 ? 832 LYS A O 1 ATOM 6065 C CB . LYS A 1 809 ? -30.854 30.040 -27.379 1.00 48.45 ? 832 LYS A CB 1 ATOM 6066 C CG . LYS A 1 809 ? -31.386 30.442 -26.031 1.00 51.33 ? 832 LYS A CG 1 ATOM 6067 C CD . LYS A 1 809 ? -32.894 30.337 -25.974 1.00 61.65 ? 832 LYS A CD 1 ATOM 6068 C CE . LYS A 1 809 ? -33.418 30.763 -24.602 1.00 69.21 ? 832 LYS A CE 1 ATOM 6069 N NZ . LYS A 1 809 ? -34.897 30.567 -24.439 1.00 69.93 ? 832 LYS A NZ 1 ATOM 6070 N N . GLN A 1 810 ? -30.697 27.071 -29.582 1.00 34.78 ? 833 GLN A N 1 ATOM 6071 C CA . GLN A 1 810 ? -30.123 26.601 -30.833 1.00 34.10 ? 833 GLN A CA 1 ATOM 6072 C C . GLN A 1 810 ? -31.144 25.693 -31.494 1.00 34.63 ? 833 GLN A C 1 ATOM 6073 O O . GLN A 1 810 ? -32.115 25.273 -30.848 1.00 34.97 ? 833 GLN A O 1 ATOM 6074 C CB . GLN A 1 810 ? -28.794 25.858 -30.595 1.00 37.15 ? 833 GLN A CB 1 ATOM 6075 C CG . GLN A 1 810 ? -28.930 24.572 -29.753 1.00 25.24 ? 833 GLN A CG 1 ATOM 6076 C CD . GLN A 1 810 ? -27.599 23.849 -29.580 1.00 24.18 ? 833 GLN A CD 1 ATOM 6077 O OE1 . GLN A 1 810 ? -26.552 24.384 -29.923 1.00 27.41 ? 833 GLN A OE1 1 ATOM 6078 N NE2 . GLN A 1 810 ? -27.641 22.629 -29.033 1.00 22.87 ? 833 GLN A NE2 1 ATOM 6079 N N . PRO A 1 811 ? -30.975 25.393 -32.775 1.00 33.72 ? 834 PRO A N 1 ATOM 6080 C CA . PRO A 1 811 ? -31.899 24.461 -33.437 1.00 30.21 ? 834 PRO A CA 1 ATOM 6081 C C . PRO A 1 811 ? -31.998 23.120 -32.724 1.00 32.64 ? 834 PRO A C 1 ATOM 6082 O O . PRO A 1 811 ? -30.998 22.566 -32.244 1.00 29.91 ? 834 PRO A O 1 ATOM 6083 C CB . PRO A 1 811 ? -31.296 24.314 -34.836 1.00 34.30 ? 834 PRO A CB 1 ATOM 6084 C CG . PRO A 1 811 ? -30.720 25.726 -35.110 1.00 33.80 ? 834 PRO A CG 1 ATOM 6085 C CD . PRO A 1 811 ? -30.158 26.155 -33.746 1.00 33.02 ? 834 PRO A CD 1 ATOM 6086 N N . LEU A 1 812 ? -33.229 22.593 -32.668 1.00 25.51 ? 835 LEU A N 1 ATOM 6087 C CA . LEU A 1 812 ? -33.438 21.285 -32.048 1.00 29.11 ? 835 LEU A CA 1 ATOM 6088 C C . LEU A 1 812 ? -32.466 20.238 -32.601 1.00 24.85 ? 835 LEU A C 1 ATOM 6089 O O . LEU A 1 812 ? -31.925 19.411 -31.852 1.00 27.35 ? 835 LEU A O 1 ATOM 6090 C CB . LEU A 1 812 ? -34.893 20.836 -32.250 1.00 34.15 ? 835 LEU A CB 1 ATOM 6091 C CG . LEU A 1 812 ? -35.172 19.433 -31.681 1.00 32.20 ? 835 LEU A CG 1 ATOM 6092 C CD1 . LEU A 1 812 ? -34.665 19.294 -30.235 1.00 32.64 ? 835 LEU A CD1 1 ATOM 6093 C CD2 . LEU A 1 812 ? -36.674 19.087 -31.757 1.00 29.44 ? 835 LEU A CD2 1 ATOM 6094 N N . SER A 1 813 ? -32.213 20.276 -33.908 1.00 26.99 ? 836 SER A N 1 ATOM 6095 C CA . SER A 1 813 ? -31.364 19.265 -34.515 1.00 26.47 ? 836 SER A CA 1 ATOM 6096 C C . SER A 1 813 ? -29.944 19.332 -33.970 1.00 27.63 ? 836 SER A C 1 ATOM 6097 O O . SER A 1 813 ? -29.254 18.309 -33.929 1.00 27.52 ? 836 SER A O 1 ATOM 6098 C CB . SER A 1 813 ? -31.385 19.428 -36.035 1.00 23.83 ? 836 SER A CB 1 ATOM 6099 O OG . SER A 1 813 ? -30.778 20.653 -36.406 1.00 29.24 ? 836 SER A OG 1 ATOM 6100 N N . GLU A 1 814 ? -29.470 20.528 -33.588 1.00 25.85 ? 837 GLU A N 1 ATOM 6101 C CA . GLU A 1 814 ? -28.162 20.635 -32.935 1.00 29.38 ? 837 GLU A CA 1 ATOM 6102 C C . GLU A 1 814 ? -28.192 20.005 -31.560 1.00 22.59 ? 837 GLU A C 1 ATOM 6103 O O . GLU A 1 814 ? -27.257 19.306 -31.154 1.00 21.50 ? 837 GLU A O 1 ATOM 6104 C CB . GLU A 1 814 ? -27.729 22.100 -32.795 1.00 35.98 ? 837 GLU A CB 1 ATOM 6105 C CG . GLU A 1 814 ? -27.416 22.819 -34.062 1.00 49.73 ? 837 GLU A CG 1 ATOM 6106 C CD . GLU A 1 814 ? -26.365 22.119 -34.867 1.00 60.60 ? 837 GLU A CD 1 ATOM 6107 O OE1 . GLU A 1 814 ? -25.263 21.895 -34.324 1.00 64.33 ? 837 GLU A OE1 1 ATOM 6108 O OE2 . GLU A 1 814 ? -26.642 21.795 -36.042 1.00 66.41 ? 837 GLU A OE2 1 ATOM 6109 N N . THR A 1 815 ? -29.252 20.258 -30.816 1.00 25.59 ? 838 THR A N 1 ATOM 6110 C CA . THR A 1 815 ? -29.354 19.642 -29.501 1.00 24.23 ? 838 THR A CA 1 ATOM 6111 C C . THR A 1 815 ? -29.431 18.118 -29.610 1.00 22.81 ? 838 THR A C 1 ATOM 6112 O O . THR A 1 815 ? -28.971 17.399 -28.715 1.00 25.57 ? 838 THR A O 1 ATOM 6113 C CB . THR A 1 815 ? -30.563 20.213 -28.786 1.00 25.47 ? 838 THR A CB 1 ATOM 6114 O OG1 . THR A 1 815 ? -30.348 21.618 -28.609 1.00 28.17 ? 838 THR A OG1 1 ATOM 6115 C CG2 . THR A 1 815 ? -30.741 19.521 -27.414 1.00 21.24 ? 838 THR A CG2 1 ATOM 6116 N N . LEU A 1 816 ? -29.970 17.605 -30.712 1.00 21.46 ? 839 LEU A N 1 ATOM 6117 C CA . LEU A 1 816 ? -30.090 16.156 -30.876 1.00 23.07 ? 839 LEU A CA 1 ATOM 6118 C C . LEU A 1 816 ? -28.720 15.518 -31.081 1.00 27.01 ? 839 LEU A C 1 ATOM 6119 O O . LEU A 1 816 ? -28.486 14.386 -30.651 1.00 25.52 ? 839 LEU A O 1 ATOM 6120 C CB . LEU A 1 816 ? -31.006 15.856 -32.057 1.00 23.40 ? 839 LEU A CB 1 ATOM 6121 C CG . LEU A 1 816 ? -32.474 16.172 -31.810 1.00 22.40 ? 839 LEU A CG 1 ATOM 6122 C CD1 . LEU A 1 816 ? -33.208 15.825 -33.072 1.00 20.45 ? 839 LEU A CD1 1 ATOM 6123 C CD2 . LEU A 1 816 ? -33.014 15.372 -30.564 1.00 21.47 ? 839 LEU A CD2 1 ATOM 6124 N N . ARG A 1 817 ? -27.818 16.232 -31.762 1.00 22.27 ? 840 ARG A N 1 ATOM 6125 C CA . ARG A 1 817 ? -26.431 15.807 -31.895 1.00 22.93 ? 840 ARG A CA 1 ATOM 6126 C C . ARG A 1 817 ? -25.791 15.635 -30.533 1.00 20.89 ? 840 ARG A C 1 ATOM 6127 O O . ARG A 1 817 ? -25.102 14.645 -30.271 1.00 21.75 ? 840 ARG A O 1 ATOM 6128 C CB . ARG A 1 817 ? -25.640 16.851 -32.685 1.00 31.33 ? 840 ARG A CB 1 ATOM 6129 C CG . ARG A 1 817 ? -25.588 16.670 -34.182 1.00 42.61 ? 840 ARG A CG 1 ATOM 6130 C CD . ARG A 1 817 ? -24.276 17.259 -34.742 1.00 40.67 ? 840 ARG A CD 1 ATOM 6131 N NE . ARG A 1 817 ? -24.332 18.702 -34.848 1.00 46.55 ? 840 ARG A NE 1 ATOM 6132 C CZ . ARG A 1 817 ? -23.416 19.445 -35.463 1.00 52.37 ? 840 ARG A CZ 1 ATOM 6133 N NH1 . ARG A 1 817 ? -22.350 18.871 -36.014 1.00 55.05 ? 840 ARG A NH1 1 ATOM 6134 N NH2 . ARG A 1 817 ? -23.564 20.760 -35.524 1.00 49.66 ? 840 ARG A NH2 1 ATOM 6135 N N . LEU A 1 818 ? -25.957 16.642 -29.675 1.00 22.56 ? 841 LEU A N 1 ATOM 6136 C CA . LEU A 1 818 ? -25.437 16.584 -28.316 1.00 22.55 ? 841 LEU A CA 1 ATOM 6137 C C . LEU A 1 818 ? -25.963 15.370 -27.575 1.00 21.96 ? 841 LEU A C 1 ATOM 6138 O O . LEU A 1 818 ? -25.211 14.689 -26.856 1.00 17.58 ? 841 LEU A O 1 ATOM 6139 C CB . LEU A 1 818 ? -25.830 17.855 -27.567 1.00 24.21 ? 841 LEU A CB 1 ATOM 6140 C CG . LEU A 1 818 ? -25.300 17.981 -26.144 1.00 25.23 ? 841 LEU A CG 1 ATOM 6141 C CD1 . LEU A 1 818 ? -23.820 18.152 -26.188 1.00 27.43 ? 841 LEU A CD1 1 ATOM 6142 C CD2 . LEU A 1 818 ? -25.934 19.182 -25.463 1.00 27.95 ? 841 LEU A CD2 1 ATOM 6143 N N . LYS A 1 819 ? -27.255 15.079 -27.738 1.00 19.12 ? 842 LYS A N 1 ATOM 6144 C CA . LYS A 1 819 ? -27.887 14.006 -26.990 1.00 21.79 ? 842 LYS A CA 1 ATOM 6145 C C . LYS A 1 819 ? -27.519 12.623 -27.516 1.00 18.93 ? 842 LYS A C 1 ATOM 6146 O O . LYS A 1 819 ? -27.638 11.653 -26.770 1.00 19.10 ? 842 LYS A O 1 ATOM 6147 C CB . LYS A 1 819 ? -29.410 14.157 -27.021 1.00 21.54 ? 842 LYS A CB 1 ATOM 6148 C CG . LYS A 1 819 ? -29.965 15.445 -26.403 1.00 24.62 ? 842 LYS A CG 1 ATOM 6149 C CD . LYS A 1 819 ? -31.489 15.394 -26.418 1.00 20.80 ? 842 LYS A CD 1 ATOM 6150 C CE . LYS A 1 819 ? -32.090 16.467 -25.566 1.00 25.37 ? 842 LYS A CE 1 ATOM 6151 N NZ . LYS A 1 819 ? -33.564 16.284 -25.435 1.00 25.45 ? 842 LYS A NZ 1 ATOM 6152 N N . THR A 1 820 ? -27.108 12.500 -28.783 1.00 18.81 ? 843 THR A N 1 ATOM 6153 C CA . THR A 1 820 ? -26.719 11.191 -29.308 1.00 17.01 ? 843 THR A CA 1 ATOM 6154 C C . THR A 1 820 ? -25.224 10.930 -29.153 1.00 17.55 ? 843 THR A C 1 ATOM 6155 O O . THR A 1 820 ? -24.745 9.839 -29.492 1.00 16.77 ? 843 THR A O 1 ATOM 6156 C CB . THR A 1 820 ? -27.118 11.067 -30.783 1.00 19.94 ? 843 THR A CB 1 ATOM 6157 O OG1 . THR A 1 820 ? -26.601 12.190 -31.526 1.00 21.29 ? 843 THR A OG1 1 ATOM 6158 C CG2 . THR A 1 820 ? -28.683 10.983 -30.940 1.00 15.57 ? 843 THR A CG2 1 ATOM 6159 N N . PHE A 1 821 ? -24.472 11.926 -28.699 1.00 16.54 ? 844 PHE A N 1 ATOM 6160 C CA . PHE A 1 821 ? -23.041 11.757 -28.510 1.00 15.02 ? 844 PHE A CA 1 ATOM 6161 C C . PHE A 1 821 ? -22.760 10.658 -27.471 1.00 17.30 ? 844 PHE A C 1 ATOM 6162 O O . PHE A 1 821 ? -23.391 10.608 -26.415 1.00 17.23 ? 844 PHE A O 1 ATOM 6163 C CB . PHE A 1 821 ? -22.432 13.087 -28.069 1.00 19.76 ? 844 PHE A CB 1 ATOM 6164 C CG . PHE A 1 821 ? -21.003 12.970 -27.601 1.00 19.91 ? 844 PHE A CG 1 ATOM 6165 C CD1 . PHE A 1 821 ? -19.973 12.975 -28.513 1.00 15.91 ? 844 PHE A CD1 1 ATOM 6166 C CD2 . PHE A 1 821 ? -20.708 12.856 -26.250 1.00 16.27 ? 844 PHE A CD2 1 ATOM 6167 C CE1 . PHE A 1 821 ? -18.648 12.856 -28.077 1.00 24.03 ? 844 PHE A CE1 1 ATOM 6168 C CE2 . PHE A 1 821 ? -19.422 12.742 -25.806 1.00 15.75 ? 844 PHE A CE2 1 ATOM 6169 C CZ . PHE A 1 821 ? -18.374 12.736 -26.720 1.00 18.46 ? 844 PHE A CZ 1 ATOM 6170 N N . LEU A 1 822 ? -21.815 9.766 -27.781 1.00 16.54 ? 845 LEU A N 1 ATOM 6171 C CA . LEU A 1 822 ? -21.369 8.767 -26.821 1.00 16.92 ? 845 LEU A CA 1 ATOM 6172 C C . LEU A 1 822 ? -19.969 9.114 -26.343 1.00 18.01 ? 845 LEU A C 1 ATOM 6173 O O . LEU A 1 822 ? -19.037 9.171 -27.161 1.00 18.86 ? 845 LEU A O 1 ATOM 6174 C CB . LEU A 1 822 ? -21.400 7.359 -27.427 1.00 14.77 ? 845 LEU A CB 1 ATOM 6175 C CG . LEU A 1 822 ? -20.942 6.254 -26.452 1.00 13.54 ? 845 LEU A CG 1 ATOM 6176 C CD1 . LEU A 1 822 ? -21.979 6.032 -25.300 1.00 13.41 ? 845 LEU A CD1 1 ATOM 6177 C CD2 . LEU A 1 822 ? -20.640 4.950 -27.189 1.00 13.48 ? 845 LEU A CD2 1 ATOM 6178 N N . PRO A 1 823 ? -19.770 9.362 -25.041 1.00 16.99 ? 846 PRO A N 1 ATOM 6179 C CA . PRO A 1 823 ? -18.411 9.609 -24.533 1.00 16.69 ? 846 PRO A CA 1 ATOM 6180 C C . PRO A 1 823 ? -17.622 8.304 -24.489 1.00 19.35 ? 846 PRO A C 1 ATOM 6181 O O . PRO A 1 823 ? -18.111 7.284 -23.984 1.00 18.70 ? 846 PRO A O 1 ATOM 6182 C CB . PRO A 1 823 ? -18.650 10.166 -23.114 1.00 15.01 ? 846 PRO A CB 1 ATOM 6183 C CG . PRO A 1 823 ? -20.186 10.336 -22.965 1.00 14.64 ? 846 PRO A CG 1 ATOM 6184 C CD . PRO A 1 823 ? -20.763 9.318 -23.948 1.00 16.70 ? 846 PRO A CD 1 ATOM 6185 N N . ILE A 1 824 ? -16.390 8.334 -24.998 1.00 16.08 ? 847 ILE A N 1 ATOM 6186 C CA . ILE A 1 824 ? -15.561 7.144 -25.016 1.00 17.82 ? 847 ILE A CA 1 ATOM 6187 C C . ILE A 1 824 ? -14.190 7.502 -24.469 1.00 25.47 ? 847 ILE A C 1 ATOM 6188 O O . ILE A 1 824 ? -13.570 8.465 -24.928 1.00 25.26 ? 847 ILE A O 1 ATOM 6189 C CB . ILE A 1 824 ? -15.439 6.528 -26.424 1.00 22.36 ? 847 ILE A CB 1 ATOM 6190 C CG1 . ILE A 1 824 ? -16.812 6.045 -26.935 1.00 18.23 ? 847 ILE A CG1 1 ATOM 6191 C CG2 . ILE A 1 824 ? -14.395 5.360 -26.383 1.00 19.26 ? 847 ILE A CG2 1 ATOM 6192 C CD1 . ILE A 1 824 ? -16.780 5.599 -28.382 1.00 20.48 ? 847 ILE A CD1 1 ATOM 6193 N N . PHE A 1 825 ? -13.725 6.727 -23.486 1.00 28.73 ? 848 PHE A N 1 ATOM 6194 C CA . PHE A 1 825 ? -12.345 6.807 -23.002 1.00 32.36 ? 848 PHE A CA 1 ATOM 6195 C C . PHE A 1 825 ? -11.435 5.674 -23.496 1.00 38.96 ? 848 PHE A C 1 ATOM 6196 O O . PHE A 1 825 ? -10.220 5.870 -23.531 1.00 48.44 ? 848 PHE A O 1 ATOM 6197 C CB . PHE A 1 825 ? -12.293 6.772 -21.462 1.00 28.15 ? 848 PHE A CB 1 ATOM 6198 C CG . PHE A 1 825 ? -13.151 7.792 -20.770 1.00 24.47 ? 848 PHE A CG 1 ATOM 6199 C CD1 . PHE A 1 825 ? -14.492 7.549 -20.552 1.00 20.38 ? 848 PHE A CD1 1 ATOM 6200 C CD2 . PHE A 1 825 ? -12.600 8.965 -20.281 1.00 33.00 ? 848 PHE A CD2 1 ATOM 6201 C CE1 . PHE A 1 825 ? -15.287 8.457 -19.881 1.00 28.81 ? 848 PHE A CE1 1 ATOM 6202 C CE2 . PHE A 1 825 ? -13.384 9.889 -19.605 1.00 34.76 ? 848 PHE A CE2 1 ATOM 6203 C CZ . PHE A 1 825 ? -14.741 9.629 -19.399 1.00 34.74 ? 848 PHE A CZ 1 ATOM 6204 N N . ILE A 1 826 ? -11.974 4.490 -23.838 1.00 36.73 ? 849 ILE A N 1 ATOM 6205 C CA . ILE A 1 826 ? -11.177 3.253 -23.971 1.00 44.25 ? 849 ILE A CA 1 ATOM 6206 C C . ILE A 1 826 ? -10.057 3.373 -25.003 1.00 43.27 ? 849 ILE A C 1 ATOM 6207 O O . ILE A 1 826 ? -9.026 2.704 -24.886 1.00 43.47 ? 849 ILE A O 1 ATOM 6208 C CB . ILE A 1 826 ? -12.079 2.037 -24.307 1.00 41.54 ? 849 ILE A CB 1 ATOM 6209 C CG1 . ILE A 1 826 ? -11.315 0.716 -24.137 1.00 46.78 ? 849 ILE A CG1 1 ATOM 6210 C CG2 . ILE A 1 826 ? -12.587 2.100 -25.749 1.00 35.24 ? 849 ILE A CG2 1 ATOM 6211 C CD1 . ILE A 1 826 ? -10.910 0.374 -22.691 1.00 45.55 ? 849 ILE A CD1 1 ATOM 6212 N N . ASN A 1 827 ? -10.242 4.179 -26.039 1.00 45.93 ? 850 ASN A N 1 ATOM 6213 C CA . ASN A 1 827 ? -9.189 4.333 -27.033 1.00 45.67 ? 850 ASN A CA 1 ATOM 6214 C C . ASN A 1 827 ? -8.200 5.407 -26.641 1.00 53.34 ? 850 ASN A C 1 ATOM 6215 O O . ASN A 1 827 ? -7.087 5.436 -27.174 1.00 55.80 ? 850 ASN A O 1 ATOM 6216 C CB . ASN A 1 827 ? -9.824 4.618 -28.379 1.00 34.21 ? 850 ASN A CB 1 ATOM 6217 C CG . ASN A 1 827 ? -10.864 3.577 -28.714 1.00 36.23 ? 850 ASN A CG 1 ATOM 6218 O OD1 . ASN A 1 827 ? -10.553 2.366 -28.726 1.00 28.62 ? 850 ASN A OD1 1 ATOM 6219 N ND2 . ASN A 1 827 ? -12.111 4.018 -28.944 1.00 21.64 ? 850 ASN A ND2 1 ATOM 6220 N N . SER A 1 828 ? -8.595 6.280 -25.718 1.00 48.42 ? 851 SER A N 1 ATOM 6221 C CA . SER A 1 828 ? -7.654 7.154 -25.039 1.00 58.00 ? 851 SER A CA 1 ATOM 6222 C C . SER A 1 828 ? -6.938 6.415 -23.918 1.00 58.46 ? 851 SER A C 1 ATOM 6223 O O . SER A 1 828 ? -5.798 6.751 -23.589 1.00 57.77 ? 851 SER A O 1 ATOM 6224 C CB . SER A 1 828 ? -8.391 8.383 -24.495 1.00 60.75 ? 851 SER A CB 1 ATOM 6225 O OG . SER A 1 828 ? -8.994 8.109 -23.237 1.00 62.37 ? 851 SER A OG 1 ATOM 6226 N N . VAL A 1 829 ? -7.588 5.409 -23.338 1.00 59.07 ? 852 VAL A N 1 ATOM 6227 C CA . VAL A 1 829 ? -7.016 4.601 -22.264 1.00 62.84 ? 852 VAL A CA 1 ATOM 6228 C C . VAL A 1 829 ? -7.000 3.128 -22.682 1.00 67.21 ? 852 VAL A C 1 ATOM 6229 O O . VAL A 1 829 ? -6.013 2.628 -23.224 1.00 70.59 ? 852 VAL A O 1 ATOM 6230 C CB . VAL A 1 829 ? -7.798 4.768 -20.929 1.00 55.06 ? 852 VAL A CB 1 ATOM 6231 C CG1 . VAL A 1 829 ? -8.058 6.239 -20.606 1.00 50.74 ? 852 VAL A CG1 1 ATOM 6232 C CG2 . VAL A 1 829 ? -9.089 3.997 -20.991 1.00 52.71 ? 852 VAL A CG2 1 HETATM 6233 C C1 . NAG B 2 . ? -29.791 -26.592 -32.545 1.00 34.31 ? 1001 NAG A C1 1 HETATM 6234 C C2 . NAG B 2 . ? -30.558 -27.931 -32.503 1.00 44.94 ? 1001 NAG A C2 1 HETATM 6235 C C3 . NAG B 2 . ? -30.187 -28.713 -31.241 1.00 52.67 ? 1001 NAG A C3 1 HETATM 6236 C C4 . NAG B 2 . ? -28.680 -28.873 -31.153 1.00 51.15 ? 1001 NAG A C4 1 HETATM 6237 C C5 . NAG B 2 . ? -28.019 -27.504 -31.230 1.00 44.46 ? 1001 NAG A C5 1 HETATM 6238 C C6 . NAG B 2 . ? -26.516 -27.582 -31.257 1.00 43.42 ? 1001 NAG A C6 1 HETATM 6239 C C7 . NAG B 2 . ? -32.666 -27.816 -33.745 1.00 55.21 ? 1001 NAG A C7 1 HETATM 6240 C C8 . NAG B 2 . ? -34.154 -27.692 -33.653 1.00 56.70 ? 1001 NAG A C8 1 HETATM 6241 N N2 . NAG B 2 . ? -31.999 -27.765 -32.587 1.00 47.83 ? 1001 NAG A N2 1 HETATM 6242 O O3 . NAG B 2 . ? -30.797 -30.001 -31.218 1.00 56.40 ? 1001 NAG A O3 1 HETATM 6243 O O4 . NAG B 2 . ? -28.339 -29.515 -29.929 1.00 54.46 ? 1001 NAG A O4 1 HETATM 6244 O O5 . NAG B 2 . ? -28.408 -26.842 -32.441 1.00 41.38 ? 1001 NAG A O5 1 HETATM 6245 O O6 . NAG B 2 . ? -25.946 -26.325 -30.926 1.00 45.86 ? 1001 NAG A O6 1 HETATM 6246 O O7 . NAG B 2 . ? -32.089 -27.941 -34.822 1.00 54.60 ? 1001 NAG A O7 1 HETATM 6247 C C1 . NAG C 2 . ? -45.950 -5.742 -43.176 1.00 40.24 ? 1002 NAG A C1 1 HETATM 6248 C C2 . NAG C 2 . ? -45.665 -4.452 -42.417 1.00 37.53 ? 1002 NAG A C2 1 HETATM 6249 C C3 . NAG C 2 . ? -46.938 -3.633 -42.236 1.00 43.48 ? 1002 NAG A C3 1 HETATM 6250 C C4 . NAG C 2 . ? -47.684 -3.483 -43.556 1.00 48.43 ? 1002 NAG A C4 1 HETATM 6251 C C5 . NAG C 2 . ? -47.847 -4.831 -44.248 1.00 48.75 ? 1002 NAG A C5 1 HETATM 6252 C C6 . NAG C 2 . ? -48.524 -4.670 -45.604 1.00 53.07 ? 1002 NAG A C6 1 HETATM 6253 C C7 . NAG C 2 . ? -43.794 -4.536 -40.874 1.00 36.33 ? 1002 NAG A C7 1 HETATM 6254 C C8 . NAG C 2 . ? -43.313 -4.966 -39.520 1.00 36.73 ? 1002 NAG A C8 1 HETATM 6255 N N2 . NAG C 2 . ? -45.082 -4.755 -41.124 1.00 35.69 ? 1002 NAG A N2 1 HETATM 6256 O O3 . NAG C 2 . ? -46.603 -2.337 -41.727 1.00 43.83 ? 1002 NAG A O3 1 HETATM 6257 O O4 . NAG C 2 . ? -48.974 -2.911 -43.313 1.00 52.56 ? 1002 NAG A O4 1 HETATM 6258 O O5 . NAG C 2 . ? -46.567 -5.433 -44.424 1.00 46.00 ? 1002 NAG A O5 1 HETATM 6259 O O6 . NAG C 2 . ? -47.892 -3.610 -46.330 1.00 58.52 ? 1002 NAG A O6 1 HETATM 6260 O O7 . NAG C 2 . ? -43.052 -4.020 -41.694 1.00 37.47 ? 1002 NAG A O7 1 HETATM 6261 C C1 . NAG D 2 . ? -21.408 -17.801 -58.669 1.00 50.67 ? 1003 NAG A C1 1 HETATM 6262 C C2 . NAG D 2 . ? -22.021 -18.895 -59.557 1.00 59.77 ? 1003 NAG A C2 1 HETATM 6263 C C3 . NAG D 2 . ? -20.975 -19.503 -60.512 1.00 60.43 ? 1003 NAG A C3 1 HETATM 6264 C C4 . NAG D 2 . ? -20.057 -18.453 -61.129 1.00 64.27 ? 1003 NAG A C4 1 HETATM 6265 C C5 . NAG D 2 . ? -19.552 -17.505 -60.058 1.00 61.91 ? 1003 NAG A C5 1 HETATM 6266 C C6 . NAG D 2 . ? -18.682 -16.394 -60.594 1.00 61.32 ? 1003 NAG A C6 1 HETATM 6267 C C7 . NAG D 2 . ? -23.897 -20.216 -58.640 1.00 66.14 ? 1003 NAG A C7 1 HETATM 6268 C C8 . NAG D 2 . ? -24.276 -21.319 -57.695 1.00 65.49 ? 1003 NAG A C8 1 HETATM 6269 N N2 . NAG D 2 . ? -22.590 -19.936 -58.713 1.00 63.01 ? 1003 NAG A N2 1 HETATM 6270 O O3 . NAG D 2 . ? -21.667 -20.172 -61.559 1.00 60.20 ? 1003 NAG A O3 1 HETATM 6271 O O4 . NAG D 2 . ? -18.935 -19.076 -61.746 1.00 64.24 ? 1003 NAG A O4 1 HETATM 6272 O O5 . NAG D 2 . ? -20.690 -16.892 -59.457 1.00 55.69 ? 1003 NAG A O5 1 HETATM 6273 O O6 . NAG D 2 . ? -19.364 -15.643 -61.588 1.00 63.35 ? 1003 NAG A O6 1 HETATM 6274 O O7 . NAG D 2 . ? -24.735 -19.613 -59.309 1.00 63.21 ? 1003 NAG A O7 1 HETATM 6275 C C1 . NAG E 2 . ? -35.848 0.784 -30.457 1.00 16.98 ? 1004 NAG A C1 1 HETATM 6276 C C2 . NAG E 2 . ? -36.422 0.773 -29.076 1.00 20.88 ? 1004 NAG A C2 1 HETATM 6277 C C3 . NAG E 2 . ? -37.536 -0.257 -28.986 1.00 22.07 ? 1004 NAG A C3 1 HETATM 6278 C C4 . NAG E 2 . ? -38.558 -0.064 -30.104 1.00 22.05 ? 1004 NAG A C4 1 HETATM 6279 C C5 . NAG E 2 . ? -37.893 0.194 -31.440 1.00 22.37 ? 1004 NAG A C5 1 HETATM 6280 C C6 . NAG E 2 . ? -38.924 0.628 -32.477 1.00 31.79 ? 1004 NAG A C6 1 HETATM 6281 C C7 . NAG E 2 . ? -34.978 1.358 -27.216 1.00 19.70 ? 1004 NAG A C7 1 HETATM 6282 C C8 . NAG E 2 . ? -33.946 0.878 -26.240 1.00 19.52 ? 1004 NAG A C8 1 HETATM 6283 N N2 . NAG E 2 . ? -35.384 0.463 -28.112 1.00 18.21 ? 1004 NAG A N2 1 HETATM 6284 O O3 . NAG E 2 . ? -38.190 -0.141 -27.717 1.00 24.85 ? 1004 NAG A O3 1 HETATM 6285 O O4 . NAG E 2 . ? -39.272 -1.292 -30.252 1.00 28.24 ? 1004 NAG A O4 1 HETATM 6286 O O5 . NAG E 2 . ? -36.885 1.197 -31.338 1.00 24.86 ? 1004 NAG A O5 1 HETATM 6287 O O6 . NAG E 2 . ? -39.749 1.661 -31.926 1.00 26.39 ? 1004 NAG A O6 1 HETATM 6288 O O7 . NAG E 2 . ? -35.417 2.496 -27.190 1.00 26.28 ? 1004 NAG A O7 1 HETATM 6289 C C1 . NAG F 2 . ? -40.605 -1.097 -29.769 1.00 28.43 ? 1005 NAG A C1 1 HETATM 6290 C C2 . NAG F 2 . ? -41.539 -2.094 -30.407 1.00 36.77 ? 1005 NAG A C2 1 HETATM 6291 C C3 . NAG F 2 . ? -42.923 -1.934 -29.813 1.00 41.65 ? 1005 NAG A C3 1 HETATM 6292 C C4 . NAG F 2 . ? -42.915 -1.972 -28.300 1.00 47.78 ? 1005 NAG A C4 1 HETATM 6293 C C5 . NAG F 2 . ? -41.931 -0.949 -27.815 1.00 46.18 ? 1005 NAG A C5 1 HETATM 6294 C C6 . NAG F 2 . ? -41.961 -0.921 -26.301 1.00 49.02 ? 1005 NAG A C6 1 HETATM 6295 C C7 . NAG F 2 . ? -40.952 -2.881 -32.614 1.00 31.70 ? 1005 NAG A C7 1 HETATM 6296 C C8 . NAG F 2 . ? -41.172 -2.697 -34.054 1.00 37.56 ? 1005 NAG A C8 1 HETATM 6297 N N2 . NAG F 2 . ? -41.549 -2.007 -31.840 1.00 35.75 ? 1005 NAG A N2 1 HETATM 6298 O O3 . NAG F 2 . ? -43.701 -2.975 -30.313 1.00 44.83 ? 1005 NAG A O3 1 HETATM 6299 O O4 . NAG F 2 . ? -44.158 -1.577 -27.755 1.00 59.84 ? 1005 NAG A O4 1 HETATM 6300 O O5 . NAG F 2 . ? -40.689 -1.283 -28.378 1.00 37.64 ? 1005 NAG A O5 1 HETATM 6301 O O6 . NAG F 2 . ? -40.838 -1.578 -25.723 1.00 55.41 ? 1005 NAG A O6 1 HETATM 6302 O O7 . NAG F 2 . ? -40.279 -3.770 -32.223 1.00 40.92 ? 1005 NAG A O7 1 HETATM 6303 C C1 . BMA G 3 . ? -45.096 -2.639 -27.925 1.00 67.89 ? 1006 BMA A C1 1 HETATM 6304 C C2 . BMA G 3 . ? -45.904 -2.928 -26.686 1.00 72.92 ? 1006 BMA A C2 1 HETATM 6305 C C3 . BMA G 3 . ? -46.993 -3.987 -26.904 1.00 75.06 ? 1006 BMA A C3 1 HETATM 6306 C C4 . BMA G 3 . ? -47.487 -4.135 -28.361 1.00 71.66 ? 1006 BMA A C4 1 HETATM 6307 C C5 . BMA G 3 . ? -46.518 -3.583 -29.392 1.00 71.86 ? 1006 BMA A C5 1 HETATM 6308 C C6 . BMA G 3 . ? -47.096 -3.513 -30.798 1.00 67.57 ? 1006 BMA A C6 1 HETATM 6309 O O2 . BMA G 3 . ? -46.536 -1.714 -26.294 1.00 74.93 ? 1006 BMA A O2 1 HETATM 6310 O O3 . BMA G 3 . ? -48.075 -3.674 -25.997 1.00 77.82 ? 1006 BMA A O3 1 HETATM 6311 O O4 . BMA G 3 . ? -47.593 -5.494 -28.748 1.00 69.01 ? 1006 BMA A O4 1 HETATM 6312 O O5 . BMA G 3 . ? -46.036 -2.337 -28.924 1.00 73.76 ? 1006 BMA A O5 1 HETATM 6313 O O6 . BMA G 3 . ? -47.336 -4.841 -31.240 1.00 65.95 ? 1006 BMA A O6 1 HETATM 6314 C C1 . MAN H 4 . ? -47.710 -4.109 -24.655 1.00 78.66 ? 1007 MAN A C1 1 HETATM 6315 C C2 . MAN H 4 . ? -48.640 -5.185 -24.078 1.00 80.11 ? 1007 MAN A C2 1 HETATM 6316 C C3 . MAN H 4 . ? -49.740 -4.636 -23.134 1.00 77.47 ? 1007 MAN A C3 1 HETATM 6317 C C4 . MAN H 4 . ? -49.297 -3.431 -22.316 1.00 75.66 ? 1007 MAN A C4 1 HETATM 6318 C C5 . MAN H 4 . ? -48.505 -2.429 -23.152 1.00 78.45 ? 1007 MAN A C5 1 HETATM 6319 C C6 . MAN H 4 . ? -47.928 -1.341 -22.275 1.00 79.80 ? 1007 MAN A C6 1 HETATM 6320 O O2 . MAN H 4 . ? -47.879 -6.244 -23.456 1.00 82.69 ? 1007 MAN A O2 1 HETATM 6321 O O3 . MAN H 4 . ? -50.261 -5.610 -22.221 1.00 76.84 ? 1007 MAN A O3 1 HETATM 6322 O O4 . MAN H 4 . ? -50.471 -2.882 -21.712 1.00 72.51 ? 1007 MAN A O4 1 HETATM 6323 O O5 . MAN H 4 . ? -47.388 -3.116 -23.684 1.00 78.34 ? 1007 MAN A O5 1 HETATM 6324 O O6 . MAN H 4 . ? -48.866 -0.296 -22.127 1.00 79.03 ? 1007 MAN A O6 1 HETATM 6325 C C1 . FUC I 5 . ? -32.198 -12.407 6.074 1.00 72.21 ? 1008 FUC A C1 1 HETATM 6326 C C2 . FUC I 5 . ? -31.493 -12.118 7.365 1.00 73.15 ? 1008 FUC A C2 1 HETATM 6327 C C3 . FUC I 5 . ? -32.268 -11.016 8.074 1.00 75.12 ? 1008 FUC A C3 1 HETATM 6328 C C4 . FUC I 5 . ? -33.721 -11.392 8.278 1.00 74.67 ? 1008 FUC A C4 1 HETATM 6329 C C5 . FUC I 5 . ? -34.313 -11.942 7.008 1.00 70.58 ? 1008 FUC A C5 1 HETATM 6330 C C6 . FUC I 5 . ? -35.617 -12.643 7.283 1.00 68.28 ? 1008 FUC A C6 1 HETATM 6331 O O2 . FUC I 5 . ? -30.175 -11.719 6.991 1.00 75.01 ? 1008 FUC A O2 1 HETATM 6332 O O3 . FUC I 5 . ? -31.682 -10.736 9.337 1.00 76.67 ? 1008 FUC A O3 1 HETATM 6333 O O4 . FUC I 5 . ? -33.770 -12.420 9.235 1.00 77.12 ? 1008 FUC A O4 1 HETATM 6334 O O5 . FUC I 5 . ? -33.447 -12.917 6.437 1.00 74.78 ? 1008 FUC A O5 1 HETATM 6335 C C1 . NAG J 2 . ? -33.216 -8.357 2.687 1.00 53.81 ? 1009 NAG A C1 1 HETATM 6336 C C2 . NAG J 2 . ? -31.765 -8.051 2.305 1.00 57.55 ? 1009 NAG A C2 1 HETATM 6337 C C3 . NAG J 2 . ? -31.139 -9.302 1.734 1.00 61.25 ? 1009 NAG A C3 1 HETATM 6338 C C4 . NAG J 2 . ? -31.281 -10.449 2.708 1.00 69.94 ? 1009 NAG A C4 1 HETATM 6339 C C5 . NAG J 2 . ? -32.738 -10.630 3.032 1.00 68.82 ? 1009 NAG A C5 1 HETATM 6340 C C6 . NAG J 2 . ? -32.920 -11.690 4.087 1.00 70.73 ? 1009 NAG A C6 1 HETATM 6341 C C7 . NAG J 2 . ? -31.430 -5.760 1.741 1.00 58.27 ? 1009 NAG A C7 1 HETATM 6342 C C8 . NAG J 2 . ? -32.266 -4.692 1.149 1.00 62.61 ? 1009 NAG A C8 1 HETATM 6343 N N2 . NAG J 2 . ? -31.640 -6.988 1.345 1.00 55.56 ? 1009 NAG A N2 1 HETATM 6344 O O3 . NAG J 2 . ? -29.766 -9.061 1.521 1.00 60.73 ? 1009 NAG A O3 1 HETATM 6345 O O4 . NAG J 2 . ? -30.748 -11.633 2.167 1.00 80.23 ? 1009 NAG A O4 1 HETATM 6346 O O5 . NAG J 2 . ? -33.180 -9.427 3.594 1.00 63.44 ? 1009 NAG A O5 1 HETATM 6347 O O6 . NAG J 2 . ? -32.356 -11.224 5.297 1.00 71.20 ? 1009 NAG A O6 1 HETATM 6348 O O7 . NAG J 2 . ? -30.635 -5.504 2.574 1.00 58.59 ? 1009 NAG A O7 1 HETATM 6349 C C1 . NAG K 2 . ? -29.528 -11.913 2.909 1.00 78.76 ? 1010 NAG A C1 1 HETATM 6350 C C2 . NAG K 2 . ? -29.403 -13.407 3.132 1.00 79.66 ? 1010 NAG A C2 1 HETATM 6351 C C3 . NAG K 2 . ? -28.140 -13.781 3.853 1.00 78.61 ? 1010 NAG A C3 1 HETATM 6352 C C4 . NAG K 2 . ? -26.902 -13.099 3.273 1.00 78.08 ? 1010 NAG A C4 1 HETATM 6353 C C5 . NAG K 2 . ? -27.160 -11.678 2.823 1.00 79.92 ? 1010 NAG A C5 1 HETATM 6354 C C6 . NAG K 2 . ? -26.100 -11.228 1.828 1.00 80.11 ? 1010 NAG A C6 1 HETATM 6355 C C7 . NAG K 2 . ? -31.323 -14.823 3.238 1.00 77.94 ? 1010 NAG A C7 1 HETATM 6356 C C8 . NAG K 2 . ? -32.217 -15.618 4.125 1.00 75.06 ? 1010 NAG A C8 1 HETATM 6357 N N2 . NAG K 2 . ? -30.545 -13.942 3.833 1.00 80.76 ? 1010 NAG A N2 1 HETATM 6358 O O3 . NAG K 2 . ? -28.022 -15.188 3.688 1.00 76.25 ? 1010 NAG A O3 1 HETATM 6359 O O4 . NAG K 2 . ? -25.831 -13.103 4.223 1.00 73.14 ? 1010 NAG A O4 1 HETATM 6360 O O5 . NAG K 2 . ? -28.385 -11.599 2.136 1.00 80.17 ? 1010 NAG A O5 1 HETATM 6361 O O6 . NAG K 2 . ? -26.133 -9.806 1.786 1.00 80.02 ? 1010 NAG A O6 1 HETATM 6362 O O7 . NAG K 2 . ? -31.313 -14.962 2.040 1.00 78.76 ? 1010 NAG A O7 1 HETATM 6363 C C1 . NAG L 2 . ? -12.152 29.726 -26.364 1.00 45.52 ? 1011 NAG A C1 1 HETATM 6364 C C2 . NAG L 2 . ? -11.404 29.640 -27.691 1.00 54.26 ? 1011 NAG A C2 1 HETATM 6365 C C3 . NAG L 2 . ? -10.493 30.844 -27.860 1.00 60.14 ? 1011 NAG A C3 1 HETATM 6366 C C4 . NAG L 2 . ? -11.291 32.115 -27.667 1.00 61.22 ? 1011 NAG A C4 1 HETATM 6367 C C5 . NAG L 2 . ? -12.007 32.066 -26.328 1.00 53.03 ? 1011 NAG A C5 1 HETATM 6368 C C6 . NAG L 2 . ? -12.925 33.224 -26.122 1.00 52.80 ? 1011 NAG A C6 1 HETATM 6369 C C7 . NAG L 2 . ? -10.688 27.745 -28.951 1.00 50.05 ? 1011 NAG A C7 1 HETATM 6370 C C8 . NAG L 2 . ? -9.889 26.501 -29.013 1.00 49.23 ? 1011 NAG A C8 1 HETATM 6371 N N2 . NAG L 2 . ? -10.618 28.445 -27.837 1.00 52.32 ? 1011 NAG A N2 1 HETATM 6372 O O3 . NAG L 2 . ? -9.944 30.832 -29.161 1.00 60.16 ? 1011 NAG A O3 1 HETATM 6373 O O4 . NAG L 2 . ? -10.464 33.271 -27.744 1.00 64.96 ? 1011 NAG A O4 1 HETATM 6374 O O5 . NAG L 2 . ? -12.832 30.938 -26.351 1.00 51.86 ? 1011 NAG A O5 1 HETATM 6375 O O6 . NAG L 2 . ? -13.557 33.529 -27.332 1.00 53.96 ? 1011 NAG A O6 1 HETATM 6376 O O7 . NAG L 2 . ? -11.355 28.072 -29.890 1.00 51.97 ? 1011 NAG A O7 1 HETATM 6377 C C1 . FUC M 5 . ? -14.808 34.107 -27.050 1.00 55.23 ? 1012 FUC A C1 1 HETATM 6378 C C2 . FUC M 5 . ? -15.500 34.503 -28.353 1.00 57.23 ? 1012 FUC A C2 1 HETATM 6379 C C3 . FUC M 5 . ? -15.769 33.281 -29.218 1.00 58.05 ? 1012 FUC A C3 1 HETATM 6380 C C4 . FUC M 5 . ? -16.379 32.157 -28.424 1.00 56.47 ? 1012 FUC A C4 1 HETATM 6381 C C5 . FUC M 5 . ? -15.725 31.944 -27.080 1.00 52.78 ? 1012 FUC A C5 1 HETATM 6382 C C6 . FUC M 5 . ? -16.530 30.935 -26.283 1.00 53.44 ? 1012 FUC A C6 1 HETATM 6383 O O2 . FUC M 5 . ? -14.724 35.449 -29.084 1.00 58.81 ? 1012 FUC A O2 1 HETATM 6384 O O3 . FUC M 5 . ? -16.761 33.572 -30.177 1.00 59.21 ? 1012 FUC A O3 1 HETATM 6385 O O4 . FUC M 5 . ? -17.735 32.515 -28.268 1.00 58.61 ? 1012 FUC A O4 1 HETATM 6386 O O5 . FUC M 5 . ? -15.613 33.164 -26.379 1.00 54.05 ? 1012 FUC A O5 1 HETATM 6387 ZN ZN . ZN N 6 . ? -15.814 -10.673 -41.048 1.00 22.43 ? 1013 ZN A ZN 1 HETATM 6388 ZN ZN . ZN O 6 . ? -18.939 -7.725 -41.985 1.00 20.17 ? 1014 ZN A ZN 1 HETATM 6389 CA CA . CA P 7 . ? -37.813 -1.032 -19.111 1.00 11.30 ? 1015 CA A CA 1 HETATM 6390 P P . AMP Q 8 . ? -18.122 -12.154 -41.147 1.00 47.36 ? 1016 AMP A P 1 HETATM 6391 O O1P . AMP Q 8 . ? -16.771 -12.135 -41.821 1.00 46.82 ? 1016 AMP A O1P 1 HETATM 6392 O O2P . AMP Q 8 . ? -18.308 -13.257 -40.136 1.00 46.62 ? 1016 AMP A O2P 1 HETATM 6393 O O3P . AMP Q 8 . ? -18.578 -10.810 -40.666 1.00 50.87 ? 1016 AMP A O3P 1 HETATM 6394 O "O5'" . AMP Q 8 . ? -19.212 -12.549 -42.246 1.00 43.11 ? 1016 AMP A "O5'" 1 HETATM 6395 C "C5'" . AMP Q 8 . ? -19.109 -12.071 -43.582 1.00 41.17 ? 1016 AMP A "C5'" 1 HETATM 6396 C "C4'" . AMP Q 8 . ? -19.481 -13.158 -44.562 1.00 42.12 ? 1016 AMP A "C4'" 1 HETATM 6397 O "O4'" . AMP Q 8 . ? -20.922 -13.306 -44.622 1.00 40.46 ? 1016 AMP A "O4'" 1 HETATM 6398 C "C3'" . AMP Q 8 . ? -19.089 -12.921 -46.009 1.00 43.91 ? 1016 AMP A "C3'" 1 HETATM 6399 O "O3'" . AMP Q 8 . ? -17.719 -13.187 -46.255 1.00 45.47 ? 1016 AMP A "O3'" 1 HETATM 6400 C "C2'" . AMP Q 8 . ? -20.031 -13.859 -46.765 1.00 46.36 ? 1016 AMP A "C2'" 1 HETATM 6401 O "O2'" . AMP Q 8 . ? -19.515 -15.184 -46.752 1.00 47.37 ? 1016 AMP A "O2'" 1 HETATM 6402 C "C1'" . AMP Q 8 . ? -21.289 -13.823 -45.883 1.00 38.21 ? 1016 AMP A "C1'" 1 HETATM 6403 N N9 . AMP Q 8 . ? -22.345 -12.976 -46.468 1.00 35.88 ? 1016 AMP A N9 1 HETATM 6404 C C8 . AMP Q 8 . ? -22.254 -11.648 -46.729 1.00 37.34 ? 1016 AMP A C8 1 HETATM 6405 N N7 . AMP Q 8 . ? -23.402 -11.168 -47.285 1.00 33.10 ? 1016 AMP A N7 1 HETATM 6406 C C5 . AMP Q 8 . ? -24.227 -12.231 -47.396 1.00 32.12 ? 1016 AMP A C5 1 HETATM 6407 C C6 . AMP Q 8 . ? -25.586 -12.434 -47.906 1.00 30.15 ? 1016 AMP A C6 1 HETATM 6408 N N6 . AMP Q 8 . ? -26.252 -11.363 -48.392 1.00 28.94 ? 1016 AMP A N6 1 HETATM 6409 N N1 . AMP Q 8 . ? -26.113 -13.681 -47.857 1.00 27.62 ? 1016 AMP A N1 1 HETATM 6410 C C2 . AMP Q 8 . ? -25.438 -14.728 -47.358 1.00 28.29 ? 1016 AMP A C2 1 HETATM 6411 N N3 . AMP Q 8 . ? -24.188 -14.625 -46.870 1.00 33.72 ? 1016 AMP A N3 1 HETATM 6412 C C4 . AMP Q 8 . ? -23.546 -13.417 -46.865 1.00 32.70 ? 1016 AMP A C4 1 HETATM 6413 O O . HOH R 9 . ? -37.241 -22.482 -40.989 1.00 58.43 ? 1101 HOH A O 1 HETATM 6414 O O . HOH R 9 . ? -16.688 -13.795 -38.800 1.00 28.43 ? 1102 HOH A O 1 HETATM 6415 O O . HOH R 9 . ? -19.375 -11.541 -38.747 1.00 31.30 ? 1103 HOH A O 1 HETATM 6416 O O . HOH R 9 . ? -32.094 15.438 -4.752 1.00 29.84 ? 1104 HOH A O 1 HETATM 6417 O O . HOH R 9 . ? -34.461 14.325 -26.091 1.00 22.33 ? 1105 HOH A O 1 HETATM 6418 O O . HOH R 9 . ? -36.781 17.959 -26.443 1.00 32.90 ? 1106 HOH A O 1 HETATM 6419 O O . HOH R 9 . ? -43.177 23.608 12.251 1.00 40.47 ? 1107 HOH A O 1 HETATM 6420 O O . HOH R 9 . ? -41.221 31.555 -3.848 1.00 35.08 ? 1108 HOH A O 1 HETATM 6421 O O . HOH R 9 . ? -11.436 -8.739 -60.845 1.00 58.55 ? 1109 HOH A O 1 HETATM 6422 O O . HOH R 9 . ? -6.705 -25.417 -20.231 1.00 44.03 ? 1110 HOH A O 1 HETATM 6423 O O . HOH R 9 . ? -28.401 -12.889 -48.716 1.00 28.81 ? 1111 HOH A O 1 HETATM 6424 O O . HOH R 9 . ? -8.122 0.686 -35.655 1.00 34.83 ? 1112 HOH A O 1 HETATM 6425 O O . HOH R 9 . ? -41.425 -3.578 -60.716 1.00 52.75 ? 1113 HOH A O 1 HETATM 6426 O O . HOH R 9 . ? -33.156 -27.831 -30.287 1.00 41.26 ? 1114 HOH A O 1 HETATM 6427 O O . HOH R 9 . ? -34.353 40.439 -8.733 1.00 56.67 ? 1115 HOH A O 1 HETATM 6428 O O . HOH R 9 . ? -26.776 9.761 13.839 1.00 67.50 ? 1116 HOH A O 1 HETATM 6429 O O . HOH R 9 . ? -39.881 18.519 -23.801 1.00 46.49 ? 1117 HOH A O 1 HETATM 6430 O O . HOH R 9 . ? -20.156 22.183 -44.509 1.00 42.77 ? 1118 HOH A O 1 HETATM 6431 O O . HOH R 9 . ? -15.898 -11.695 -46.091 1.00 37.98 ? 1119 HOH A O 1 HETATM 6432 O O . HOH R 9 . ? -25.267 32.828 -9.326 1.00 51.15 ? 1120 HOH A O 1 HETATM 6433 O O . HOH R 9 . ? -9.539 3.044 -12.669 1.00 40.31 ? 1121 HOH A O 1 HETATM 6434 O O . HOH R 9 . ? -40.980 28.954 -1.174 1.00 34.20 ? 1122 HOH A O 1 HETATM 6435 O O . HOH R 9 . ? -44.633 -16.557 -46.482 1.00 47.64 ? 1123 HOH A O 1 HETATM 6436 O O . HOH R 9 . ? -9.602 13.348 -15.832 1.00 59.78 ? 1124 HOH A O 1 HETATM 6437 O O . HOH R 9 . ? -27.101 22.622 0.269 1.00 37.04 ? 1125 HOH A O 1 HETATM 6438 O O . HOH R 9 . ? -17.267 5.252 -82.606 1.00 74.63 ? 1126 HOH A O 1 HETATM 6439 O O . HOH R 9 . ? -15.301 21.650 -20.290 1.00 32.43 ? 1127 HOH A O 1 HETATM 6440 O O . HOH R 9 . ? -38.601 30.364 -13.025 1.00 46.02 ? 1128 HOH A O 1 HETATM 6441 O O . HOH R 9 . ? -7.618 2.892 -56.892 1.00 45.87 ? 1129 HOH A O 1 HETATM 6442 O O . HOH R 9 . ? -25.461 26.491 -7.668 1.00 39.11 ? 1130 HOH A O 1 HETATM 6443 O O . HOH R 9 . ? -13.445 29.608 -13.875 1.00 43.31 ? 1131 HOH A O 1 HETATM 6444 O O . HOH R 9 . ? -35.702 20.039 -20.658 1.00 30.71 ? 1132 HOH A O 1 HETATM 6445 O O . HOH R 9 . ? -11.136 -24.119 -33.849 1.00 44.75 ? 1133 HOH A O 1 HETATM 6446 O O . HOH R 9 . ? -12.193 -3.752 -16.218 1.00 42.71 ? 1134 HOH A O 1 HETATM 6447 O O . HOH R 9 . ? -45.250 19.146 7.192 1.00 33.68 ? 1135 HOH A O 1 HETATM 6448 O O . HOH R 9 . ? -12.844 20.554 -24.114 1.00 44.32 ? 1136 HOH A O 1 HETATM 6449 O O . HOH R 9 . ? -17.836 -2.735 -9.564 1.00 20.77 ? 1137 HOH A O 1 HETATM 6450 O O . HOH R 9 . ? -18.790 -1.797 -85.857 1.00 64.73 ? 1138 HOH A O 1 HETATM 6451 O O . HOH R 9 . ? -22.071 16.197 -51.435 1.00 38.44 ? 1139 HOH A O 1 HETATM 6452 O O . HOH R 9 . ? -6.065 -15.814 -18.595 1.00 47.68 ? 1140 HOH A O 1 HETATM 6453 O O . HOH R 9 . ? -22.536 -18.969 -39.108 1.00 43.48 ? 1141 HOH A O 1 HETATM 6454 O O . HOH R 9 . ? -34.714 -7.019 10.997 1.00 67.09 ? 1142 HOH A O 1 HETATM 6455 O O . HOH R 9 . ? -26.537 -14.074 -57.923 1.00 38.12 ? 1143 HOH A O 1 HETATM 6456 O O . HOH R 9 . ? -18.419 3.471 -22.104 1.00 17.06 ? 1144 HOH A O 1 HETATM 6457 O O . HOH R 9 . ? -12.782 -6.367 -22.240 1.00 38.26 ? 1145 HOH A O 1 HETATM 6458 O O . HOH R 9 . ? -31.958 10.074 -53.074 1.00 36.26 ? 1146 HOH A O 1 HETATM 6459 O O . HOH R 9 . ? -40.757 -3.955 -22.983 1.00 31.36 ? 1147 HOH A O 1 HETATM 6460 O O . HOH R 9 . ? -11.725 2.735 -19.978 1.00 42.42 ? 1148 HOH A O 1 HETATM 6461 O O . HOH R 9 . ? -3.950 1.342 -34.714 1.00 46.80 ? 1149 HOH A O 1 HETATM 6462 O O . HOH R 9 . ? -23.423 -10.219 -14.209 1.00 21.18 ? 1150 HOH A O 1 HETATM 6463 O O . HOH R 9 . ? -38.673 9.591 15.341 1.00 37.63 ? 1151 HOH A O 1 HETATM 6464 O O . HOH R 9 . ? -51.289 15.971 -27.822 1.00 60.13 ? 1152 HOH A O 1 HETATM 6465 O O . HOH R 9 . ? -6.068 -7.700 -22.343 1.00 29.68 ? 1153 HOH A O 1 HETATM 6466 O O . HOH R 9 . ? -40.446 9.807 -15.054 1.00 40.54 ? 1154 HOH A O 1 HETATM 6467 O O . HOH R 9 . ? -43.762 19.616 -29.783 1.00 49.14 ? 1155 HOH A O 1 HETATM 6468 O O . HOH R 9 . ? -32.883 5.371 -66.611 1.00 53.62 ? 1156 HOH A O 1 HETATM 6469 O O . HOH R 9 . ? -26.002 15.030 -62.263 1.00 56.17 ? 1157 HOH A O 1 HETATM 6470 O O . HOH R 9 . ? -18.580 17.658 -19.302 1.00 25.38 ? 1158 HOH A O 1 HETATM 6471 O O . HOH R 9 . ? -28.987 -5.024 -29.356 1.00 15.60 ? 1159 HOH A O 1 HETATM 6472 O O . HOH R 9 . ? -39.614 10.804 -37.236 1.00 29.44 ? 1160 HOH A O 1 HETATM 6473 O O . HOH R 9 . ? -2.217 -12.544 -19.804 1.00 39.81 ? 1161 HOH A O 1 HETATM 6474 O O . HOH R 9 . ? -17.750 -10.962 -13.914 1.00 29.21 ? 1162 HOH A O 1 HETATM 6475 O O . HOH R 9 . ? -34.332 16.207 -3.636 1.00 27.25 ? 1163 HOH A O 1 HETATM 6476 O O . HOH R 9 . ? -30.971 10.539 11.473 1.00 44.33 ? 1164 HOH A O 1 HETATM 6477 O O . HOH R 9 . ? -43.268 -5.738 -9.884 1.00 28.93 ? 1165 HOH A O 1 HETATM 6478 O O . HOH R 9 . ? -26.975 -0.271 -80.385 1.00 71.13 ? 1166 HOH A O 1 HETATM 6479 O O . HOH R 9 . ? -46.844 12.393 14.271 1.00 43.98 ? 1167 HOH A O 1 HETATM 6480 O O . HOH R 9 . ? -39.317 5.602 -14.484 1.00 32.12 ? 1168 HOH A O 1 HETATM 6481 O O . HOH R 9 . ? -27.323 3.774 -29.083 1.00 16.33 ? 1169 HOH A O 1 HETATM 6482 O O . HOH R 9 . ? -10.088 6.930 -37.567 1.00 47.85 ? 1170 HOH A O 1 HETATM 6483 O O . HOH R 9 . ? -12.117 15.980 -17.666 1.00 45.55 ? 1171 HOH A O 1 HETATM 6484 O O . HOH R 9 . ? -35.269 -14.101 5.108 1.00 54.41 ? 1172 HOH A O 1 HETATM 6485 O O . HOH R 9 . ? -44.335 -7.219 -47.093 1.00 33.15 ? 1173 HOH A O 1 HETATM 6486 O O . HOH R 9 . ? -38.704 -15.961 -31.170 1.00 31.03 ? 1174 HOH A O 1 HETATM 6487 O O . HOH R 9 . ? -15.072 -18.703 -33.246 1.00 39.85 ? 1175 HOH A O 1 HETATM 6488 O O . HOH R 9 . ? -44.337 0.292 -54.376 1.00 41.87 ? 1176 HOH A O 1 HETATM 6489 O O . HOH R 9 . ? -44.079 28.216 0.498 1.00 31.69 ? 1177 HOH A O 1 HETATM 6490 O O . HOH R 9 . ? -12.538 6.379 -31.348 1.00 35.54 ? 1178 HOH A O 1 HETATM 6491 O O . HOH R 9 . ? -40.331 -14.801 -35.024 1.00 38.90 ? 1179 HOH A O 1 HETATM 6492 O O . HOH R 9 . ? -29.403 -8.438 -65.088 1.00 53.68 ? 1180 HOH A O 1 HETATM 6493 O O . HOH R 9 . ? -2.307 7.944 -47.123 1.00 33.68 ? 1181 HOH A O 1 HETATM 6494 O O . HOH R 9 . ? -22.680 22.840 -4.375 1.00 38.64 ? 1182 HOH A O 1 HETATM 6495 O O . HOH R 9 . ? -38.513 10.946 1.089 1.00 26.62 ? 1183 HOH A O 1 HETATM 6496 O O . HOH R 9 . ? -19.030 -19.286 -54.689 1.00 57.89 ? 1184 HOH A O 1 HETATM 6497 O O . HOH R 9 . ? -7.747 -0.873 -7.637 1.00 50.33 ? 1185 HOH A O 1 HETATM 6498 O O . HOH R 9 . ? -38.578 11.075 -43.334 1.00 28.83 ? 1186 HOH A O 1 HETATM 6499 O O . HOH R 9 . ? -32.043 -1.481 -24.668 1.00 16.35 ? 1187 HOH A O 1 HETATM 6500 O O . HOH R 9 . ? -31.999 23.475 5.659 1.00 28.91 ? 1188 HOH A O 1 HETATM 6501 O O . HOH R 9 . ? -41.451 -3.537 -54.695 1.00 42.73 ? 1189 HOH A O 1 HETATM 6502 O O . HOH R 9 . ? -39.075 11.461 6.258 1.00 39.17 ? 1190 HOH A O 1 HETATM 6503 O O . HOH R 9 . ? -36.389 7.483 -34.964 1.00 21.84 ? 1191 HOH A O 1 HETATM 6504 O O . HOH R 9 . ? -30.600 3.447 -56.759 1.00 36.03 ? 1192 HOH A O 1 HETATM 6505 O O . HOH R 9 . ? -22.092 13.716 -36.785 1.00 21.78 ? 1193 HOH A O 1 HETATM 6506 O O . HOH R 9 . ? -28.092 -11.286 -50.228 1.00 33.62 ? 1194 HOH A O 1 HETATM 6507 O O . HOH R 9 . ? -2.269 -3.586 -32.322 1.00 43.86 ? 1195 HOH A O 1 HETATM 6508 O O . HOH R 9 . ? -39.907 -6.797 2.489 1.00 42.07 ? 1196 HOH A O 1 HETATM 6509 O O . HOH R 9 . ? -12.505 -24.531 -28.862 1.00 32.22 ? 1197 HOH A O 1 HETATM 6510 O O . HOH R 9 . ? -10.750 -5.458 -42.761 1.00 19.99 ? 1198 HOH A O 1 HETATM 6511 O O . HOH R 9 . ? -30.449 -4.054 -17.114 1.00 22.66 ? 1199 HOH A O 1 HETATM 6512 O O . HOH R 9 . ? -27.092 -18.438 -21.002 1.00 18.59 ? 1200 HOH A O 1 HETATM 6513 O O . HOH R 9 . ? -45.008 13.063 -25.074 1.00 50.75 ? 1201 HOH A O 1 HETATM 6514 O O . HOH R 9 . ? -2.888 -10.540 -37.082 1.00 30.17 ? 1202 HOH A O 1 HETATM 6515 O O . HOH R 9 . ? -42.604 16.042 -36.463 1.00 45.95 ? 1203 HOH A O 1 HETATM 6516 O O . HOH R 9 . ? -42.297 23.834 9.591 1.00 32.30 ? 1204 HOH A O 1 HETATM 6517 O O . HOH R 9 . ? -24.522 23.747 -6.208 1.00 30.96 ? 1205 HOH A O 1 HETATM 6518 O O . HOH R 9 . ? -31.345 9.289 -37.506 1.00 17.12 ? 1206 HOH A O 1 HETATM 6519 O O . HOH R 9 . ? -32.786 15.647 -72.792 1.00 50.77 ? 1207 HOH A O 1 HETATM 6520 O O . HOH R 9 . ? -28.360 30.207 -16.379 1.00 35.49 ? 1208 HOH A O 1 HETATM 6521 O O . HOH R 9 . ? -38.670 4.137 -31.685 1.00 31.60 ? 1209 HOH A O 1 HETATM 6522 O O . HOH R 9 . ? -33.751 30.621 7.936 1.00 33.45 ? 1210 HOH A O 1 HETATM 6523 O O . HOH R 9 . ? -41.401 14.080 18.258 1.00 48.99 ? 1211 HOH A O 1 HETATM 6524 O O . HOH R 9 . ? -18.514 -24.133 -29.393 1.00 43.34 ? 1212 HOH A O 1 HETATM 6525 O O . HOH R 9 . ? -30.680 7.565 -31.534 1.00 18.47 ? 1213 HOH A O 1 HETATM 6526 O O . HOH R 9 . ? -43.312 2.862 -3.727 1.00 39.72 ? 1214 HOH A O 1 HETATM 6527 O O . HOH R 9 . ? -31.859 -3.827 -23.261 1.00 21.31 ? 1215 HOH A O 1 HETATM 6528 O O . HOH R 9 . ? -8.115 1.376 -28.821 1.00 37.17 ? 1216 HOH A O 1 HETATM 6529 O O . HOH R 9 . ? -32.516 23.069 -28.972 1.00 30.05 ? 1217 HOH A O 1 HETATM 6530 O O . HOH R 9 . ? -12.092 35.348 -29.045 1.00 51.95 ? 1218 HOH A O 1 HETATM 6531 O O . HOH R 9 . ? -28.888 29.638 -5.957 1.00 27.34 ? 1219 HOH A O 1 HETATM 6532 O O . HOH R 9 . ? -32.603 5.717 -38.282 1.00 17.10 ? 1220 HOH A O 1 HETATM 6533 O O . HOH R 9 . ? -11.094 7.043 -26.062 1.00 38.53 ? 1221 HOH A O 1 HETATM 6534 O O . HOH R 9 . ? -37.523 19.909 6.559 1.00 25.93 ? 1222 HOH A O 1 HETATM 6535 O O . HOH R 9 . ? -23.704 27.329 5.187 1.00 59.01 ? 1223 HOH A O 1 HETATM 6536 O O . HOH R 9 . ? -25.682 -27.717 -20.373 1.00 42.09 ? 1224 HOH A O 1 HETATM 6537 O O . HOH R 9 . ? -35.861 -1.788 6.358 1.00 45.56 ? 1225 HOH A O 1 HETATM 6538 O O . HOH R 9 . ? -15.617 7.728 -42.293 1.00 19.18 ? 1226 HOH A O 1 HETATM 6539 O O . HOH R 9 . ? -45.325 21.032 14.628 1.00 44.26 ? 1227 HOH A O 1 HETATM 6540 O O . HOH R 9 . ? -31.745 4.898 -29.294 1.00 19.58 ? 1228 HOH A O 1 HETATM 6541 O O . HOH R 9 . ? -34.285 -2.128 -28.365 1.00 18.55 ? 1229 HOH A O 1 HETATM 6542 O O . HOH R 9 . ? -47.419 22.934 -12.183 1.00 47.50 ? 1230 HOH A O 1 HETATM 6543 O O . HOH R 9 . ? -14.290 28.592 -28.707 1.00 58.98 ? 1231 HOH A O 1 HETATM 6544 O O . HOH R 9 . ? -24.613 -9.132 -48.469 1.00 34.38 ? 1232 HOH A O 1 HETATM 6545 O O . HOH R 9 . ? -37.937 -16.172 -46.751 1.00 35.87 ? 1233 HOH A O 1 HETATM 6546 O O . HOH R 9 . ? -39.972 -5.225 10.742 1.00 56.52 ? 1234 HOH A O 1 HETATM 6547 O O . HOH R 9 . ? -23.612 3.134 -28.059 1.00 19.99 ? 1235 HOH A O 1 HETATM 6548 O O . HOH R 9 . ? -38.599 -7.250 -21.388 1.00 36.61 ? 1236 HOH A O 1 HETATM 6549 O O . HOH R 9 . ? -15.747 15.764 -46.578 1.00 37.97 ? 1237 HOH A O 1 HETATM 6550 O O . HOH R 9 . ? -25.951 6.547 4.606 1.00 45.17 ? 1238 HOH A O 1 HETATM 6551 O O . HOH R 9 . ? -12.920 21.447 -8.291 1.00 51.69 ? 1239 HOH A O 1 HETATM 6552 O O . HOH R 9 . ? -17.016 24.554 -18.778 1.00 28.24 ? 1240 HOH A O 1 HETATM 6553 O O . HOH R 9 . ? -28.377 20.314 -37.488 1.00 30.49 ? 1241 HOH A O 1 HETATM 6554 O O . HOH R 9 . ? -23.145 11.151 -56.560 1.00 39.44 ? 1242 HOH A O 1 HETATM 6555 O O . HOH R 9 . ? -26.681 -31.329 -30.943 1.00 51.95 ? 1243 HOH A O 1 HETATM 6556 O O . HOH R 9 . ? -34.645 14.106 -54.821 1.00 52.14 ? 1244 HOH A O 1 HETATM 6557 O O . HOH R 9 . ? -39.322 17.949 -14.219 1.00 25.34 ? 1245 HOH A O 1 HETATM 6558 O O . HOH R 9 . ? -26.726 29.188 1.438 1.00 49.31 ? 1246 HOH A O 1 HETATM 6559 O O . HOH R 9 . ? -35.542 11.111 -1.084 1.00 25.53 ? 1247 HOH A O 1 HETATM 6560 O O . HOH R 9 . ? -29.601 -29.743 -27.455 1.00 44.08 ? 1248 HOH A O 1 HETATM 6561 O O . HOH R 9 . ? -39.998 -11.223 -41.176 1.00 30.27 ? 1249 HOH A O 1 HETATM 6562 O O . HOH R 9 . ? -37.647 -4.625 -28.945 1.00 24.92 ? 1250 HOH A O 1 HETATM 6563 O O . HOH R 9 . ? -14.073 -24.898 -30.880 1.00 38.91 ? 1251 HOH A O 1 HETATM 6564 O O . HOH R 9 . ? -24.879 21.549 -28.418 1.00 33.10 ? 1252 HOH A O 1 HETATM 6565 O O . HOH R 9 . ? -41.817 2.539 -68.767 1.00 49.67 ? 1253 HOH A O 1 HETATM 6566 O O . HOH R 9 . ? -37.262 18.696 9.432 1.00 32.33 ? 1254 HOH A O 1 HETATM 6567 O O . HOH R 9 . ? -43.336 0.385 -7.516 1.00 28.33 ? 1255 HOH A O 1 HETATM 6568 O O . HOH R 9 . ? -34.482 17.831 -1.356 1.00 29.96 ? 1256 HOH A O 1 HETATM 6569 O O . HOH R 9 . ? -22.830 -4.361 -14.366 1.00 21.39 ? 1257 HOH A O 1 HETATM 6570 O O . HOH R 9 . ? -30.800 17.378 8.651 1.00 35.73 ? 1258 HOH A O 1 HETATM 6571 O O . HOH R 9 . ? -35.473 28.089 -25.261 1.00 53.66 ? 1259 HOH A O 1 HETATM 6572 O O . HOH R 9 . ? -24.390 1.061 -18.123 1.00 17.22 ? 1260 HOH A O 1 HETATM 6573 O O . HOH R 9 . ? -24.932 12.459 -25.252 1.00 16.18 ? 1261 HOH A O 1 HETATM 6574 O O . HOH R 9 . ? -27.648 -4.713 -20.304 1.00 15.97 ? 1262 HOH A O 1 HETATM 6575 O O . HOH R 9 . ? -33.619 -30.698 -25.726 1.00 48.00 ? 1263 HOH A O 1 HETATM 6576 O O . HOH R 9 . ? -10.566 1.630 -37.041 1.00 25.54 ? 1264 HOH A O 1 HETATM 6577 O O . HOH R 9 . ? -29.297 -27.217 -35.889 1.00 51.93 ? 1265 HOH A O 1 HETATM 6578 O O . HOH R 9 . ? -34.614 4.067 -29.381 1.00 21.87 ? 1266 HOH A O 1 HETATM 6579 O O . HOH R 9 . ? -29.474 1.197 -59.003 1.00 43.30 ? 1267 HOH A O 1 HETATM 6580 O O . HOH R 9 . ? -5.960 -2.830 -34.599 1.00 30.26 ? 1268 HOH A O 1 HETATM 6581 O O . HOH R 9 . ? -24.085 31.040 -23.281 1.00 48.47 ? 1269 HOH A O 1 HETATM 6582 O O . HOH R 9 . ? -19.329 11.571 -31.731 1.00 30.81 ? 1270 HOH A O 1 HETATM 6583 O O . HOH R 9 . ? -39.015 14.633 -34.168 1.00 34.53 ? 1271 HOH A O 1 HETATM 6584 O O . HOH R 9 . ? -16.228 15.434 -25.098 1.00 33.56 ? 1272 HOH A O 1 HETATM 6585 O O . HOH R 9 . ? -25.827 18.161 -16.854 1.00 21.15 ? 1273 HOH A O 1 HETATM 6586 O O . HOH R 9 . ? -36.043 -3.235 -25.909 1.00 23.61 ? 1274 HOH A O 1 HETATM 6587 O O . HOH R 9 . ? -17.433 14.414 -22.776 1.00 26.16 ? 1275 HOH A O 1 HETATM 6588 O O . HOH R 9 . ? -27.861 17.754 -36.817 1.00 27.80 ? 1276 HOH A O 1 HETATM 6589 O O . HOH R 9 . ? -19.607 -9.922 -11.780 1.00 32.44 ? 1277 HOH A O 1 HETATM 6590 O O . HOH R 9 . ? -22.771 8.801 -31.001 1.00 24.82 ? 1278 HOH A O 1 HETATM 6591 O O . HOH R 9 . ? -43.414 22.048 -7.658 1.00 35.93 ? 1279 HOH A O 1 HETATM 6592 O O . HOH R 9 . ? -34.898 26.205 -26.585 1.00 44.51 ? 1280 HOH A O 1 HETATM 6593 O O . HOH R 9 . ? -10.701 12.273 -13.668 1.00 62.75 ? 1281 HOH A O 1 HETATM 6594 O O . HOH R 9 . ? -46.828 15.238 -11.735 1.00 33.68 ? 1282 HOH A O 1 HETATM 6595 O O . HOH R 9 . ? -35.385 -25.071 -19.068 1.00 33.20 ? 1283 HOH A O 1 HETATM 6596 O O . HOH R 9 . ? -28.843 -19.201 -22.769 1.00 22.60 ? 1284 HOH A O 1 HETATM 6597 O O . HOH R 9 . ? -15.455 -6.705 -26.400 1.00 21.16 ? 1285 HOH A O 1 HETATM 6598 O O . HOH R 9 . ? -10.763 5.275 -9.741 1.00 33.70 ? 1286 HOH A O 1 HETATM 6599 O O . HOH R 9 . ? -32.314 -4.114 -15.092 1.00 33.00 ? 1287 HOH A O 1 HETATM 6600 O O . HOH R 9 . ? -39.239 -0.767 -37.462 1.00 22.79 ? 1288 HOH A O 1 HETATM 6601 O O . HOH R 9 . ? -26.630 -2.820 -16.566 1.00 20.33 ? 1289 HOH A O 1 HETATM 6602 O O . HOH R 9 . ? -23.442 13.217 -31.863 1.00 27.09 ? 1290 HOH A O 1 HETATM 6603 O O . HOH R 9 . ? -20.733 -20.913 -9.929 1.00 44.36 ? 1291 HOH A O 1 HETATM 6604 O O . HOH R 9 . ? -0.133 -13.055 -49.625 1.00 42.24 ? 1292 HOH A O 1 HETATM 6605 O O . HOH R 9 . ? -29.140 -20.665 -40.921 1.00 44.14 ? 1293 HOH A O 1 HETATM 6606 O O . HOH R 9 . ? -6.676 24.526 -13.783 1.00 56.47 ? 1294 HOH A O 1 HETATM 6607 O O . HOH R 9 . ? -42.869 27.357 -2.302 1.00 38.98 ? 1295 HOH A O 1 HETATM 6608 O O . HOH R 9 . ? -27.053 -4.005 -30.954 1.00 18.10 ? 1296 HOH A O 1 HETATM 6609 O O . HOH R 9 . ? -3.494 -22.745 -19.749 1.00 57.54 ? 1297 HOH A O 1 HETATM 6610 O O . HOH R 9 . ? -43.121 -4.989 -50.915 1.00 46.61 ? 1298 HOH A O 1 HETATM 6611 O O . HOH R 9 . ? -24.479 -12.335 -58.803 1.00 37.05 ? 1299 HOH A O 1 HETATM 6612 O O . HOH R 9 . ? -20.133 17.574 -36.899 1.00 31.65 ? 1300 HOH A O 1 HETATM 6613 O O . HOH R 9 . ? -23.796 -3.980 -1.044 1.00 31.71 ? 1301 HOH A O 1 HETATM 6614 O O . HOH R 9 . ? -39.073 2.864 -15.016 1.00 22.85 ? 1302 HOH A O 1 HETATM 6615 O O . HOH R 9 . ? -47.735 0.981 -12.731 1.00 31.11 ? 1303 HOH A O 1 HETATM 6616 O O . HOH R 9 . ? -29.888 -0.843 -22.636 1.00 24.84 ? 1304 HOH A O 1 HETATM 6617 O O . HOH R 9 . ? -8.103 4.596 -3.220 1.00 48.77 ? 1305 HOH A O 1 HETATM 6618 O O . HOH R 9 . ? -40.840 0.016 -21.170 1.00 28.92 ? 1306 HOH A O 1 HETATM 6619 O O . HOH R 9 . ? -31.081 -11.790 -22.356 1.00 21.91 ? 1307 HOH A O 1 HETATM 6620 O O . HOH R 9 . ? -23.865 27.653 -20.781 1.00 36.88 ? 1308 HOH A O 1 HETATM 6621 O O . HOH R 9 . ? -33.962 15.523 -42.632 1.00 22.09 ? 1309 HOH A O 1 HETATM 6622 O O . HOH R 9 . ? -8.221 11.531 -54.771 1.00 39.59 ? 1310 HOH A O 1 HETATM 6623 O O . HOH R 9 . ? -22.078 -32.643 -16.264 1.00 43.80 ? 1311 HOH A O 1 HETATM 6624 O O . HOH R 9 . ? -39.816 23.530 10.660 1.00 40.78 ? 1312 HOH A O 1 HETATM 6625 O O . HOH R 9 . ? -29.784 -9.396 -53.072 1.00 29.48 ? 1313 HOH A O 1 HETATM 6626 O O . HOH R 9 . ? -15.346 -3.194 -23.313 1.00 31.54 ? 1314 HOH A O 1 HETATM 6627 O O . HOH R 9 . ? -36.604 10.152 -33.728 1.00 23.86 ? 1315 HOH A O 1 HETATM 6628 O O . HOH R 9 . ? -21.734 -0.294 -39.009 1.00 17.93 ? 1316 HOH A O 1 HETATM 6629 O O . HOH R 9 . ? -39.817 26.030 9.413 1.00 28.23 ? 1317 HOH A O 1 HETATM 6630 O O . HOH R 9 . ? -15.709 -9.292 -13.177 1.00 25.66 ? 1318 HOH A O 1 HETATM 6631 O O . HOH R 9 . ? -16.982 -8.968 -26.517 1.00 18.23 ? 1319 HOH A O 1 HETATM 6632 O O . HOH R 9 . ? -26.257 -9.713 -11.164 1.00 42.31 ? 1320 HOH A O 1 HETATM 6633 O O . HOH R 9 . ? -21.823 -11.412 -26.057 1.00 23.09 ? 1321 HOH A O 1 HETATM 6634 O O . HOH R 9 . ? -46.550 7.983 -2.540 1.00 38.07 ? 1322 HOH A O 1 HETATM 6635 O O . HOH R 9 . ? -36.993 -8.740 -47.969 1.00 25.50 ? 1323 HOH A O 1 HETATM 6636 O O . HOH R 9 . ? -9.621 -4.319 -24.730 1.00 28.24 ? 1324 HOH A O 1 HETATM 6637 O O . HOH R 9 . ? -31.094 -8.305 -62.196 1.00 54.78 ? 1325 HOH A O 1 HETATM 6638 O O . HOH R 9 . ? -10.762 -7.642 -4.896 1.00 52.21 ? 1326 HOH A O 1 HETATM 6639 O O . HOH R 9 . ? -23.392 11.599 -22.827 1.00 14.75 ? 1327 HOH A O 1 HETATM 6640 O O . HOH R 9 . ? 0.712 -9.960 -32.184 1.00 48.49 ? 1328 HOH A O 1 HETATM 6641 O O . HOH R 9 . ? -17.041 3.643 -31.231 1.00 14.20 ? 1329 HOH A O 1 HETATM 6642 O O . HOH R 9 . ? -28.820 24.660 -0.878 1.00 30.51 ? 1330 HOH A O 1 HETATM 6643 O O . HOH R 9 . ? -5.469 -4.959 -55.535 1.00 42.40 ? 1331 HOH A O 1 HETATM 6644 O O . HOH R 9 . ? -45.761 25.949 0.323 1.00 30.17 ? 1332 HOH A O 1 HETATM 6645 O O . HOH R 9 . ? -23.657 27.953 -30.215 1.00 38.22 ? 1333 HOH A O 1 HETATM 6646 O O . HOH R 9 . ? -30.876 30.953 -4.771 1.00 32.40 ? 1334 HOH A O 1 HETATM 6647 O O . HOH R 9 . ? -33.341 -18.532 -27.173 1.00 22.30 ? 1335 HOH A O 1 HETATM 6648 O O . HOH R 9 . ? -30.369 -19.428 -17.936 1.00 31.19 ? 1336 HOH A O 1 HETATM 6649 O O . HOH R 9 . ? -41.896 17.478 16.339 1.00 46.44 ? 1337 HOH A O 1 HETATM 6650 O O . HOH R 9 . ? -34.147 26.737 -15.707 1.00 39.12 ? 1338 HOH A O 1 HETATM 6651 O O . HOH R 9 . ? -6.129 -2.211 -6.707 1.00 58.11 ? 1339 HOH A O 1 HETATM 6652 O O . HOH R 9 . ? -6.653 -13.488 -30.511 1.00 26.90 ? 1340 HOH A O 1 HETATM 6653 O O . HOH R 9 . ? -43.235 2.212 -44.183 1.00 35.54 ? 1341 HOH A O 1 HETATM 6654 O O . HOH R 9 . ? -25.985 3.786 -26.689 1.00 14.98 ? 1342 HOH A O 1 HETATM 6655 O O . HOH R 9 . ? -26.762 -27.470 -27.990 1.00 39.96 ? 1343 HOH A O 1 HETATM 6656 O O . HOH R 9 . ? -22.546 26.903 -7.971 1.00 49.86 ? 1344 HOH A O 1 HETATM 6657 O O . HOH R 9 . ? -18.032 0.469 -33.827 1.00 15.13 ? 1345 HOH A O 1 HETATM 6658 O O . HOH R 9 . ? -31.734 26.560 0.381 1.00 34.61 ? 1346 HOH A O 1 HETATM 6659 O O . HOH R 9 . ? -28.174 21.255 -42.683 1.00 35.55 ? 1347 HOH A O 1 HETATM 6660 O O . HOH R 9 . ? -39.429 5.454 14.299 1.00 46.40 ? 1348 HOH A O 1 HETATM 6661 O O . HOH R 9 . ? -26.989 7.471 -31.786 1.00 16.65 ? 1349 HOH A O 1 HETATM 6662 O O . HOH R 9 . ? -37.303 -0.634 -39.390 1.00 20.63 ? 1350 HOH A O 1 HETATM 6663 O O . HOH R 9 . ? -7.843 -27.183 -23.241 1.00 39.35 ? 1351 HOH A O 1 HETATM 6664 O O . HOH R 9 . ? -29.896 2.501 -39.374 1.00 17.70 ? 1352 HOH A O 1 HETATM 6665 O O . HOH R 9 . ? -21.881 20.489 -28.498 1.00 37.61 ? 1353 HOH A O 1 HETATM 6666 O O . HOH R 9 . ? -45.973 4.721 -56.801 1.00 50.73 ? 1354 HOH A O 1 HETATM 6667 O O . HOH R 9 . ? -28.388 -17.600 -29.267 1.00 26.94 ? 1355 HOH A O 1 HETATM 6668 O O . HOH R 9 . ? -15.045 4.406 -22.701 1.00 27.64 ? 1356 HOH A O 1 HETATM 6669 O O . HOH R 9 . ? -8.867 -0.567 -31.122 1.00 24.46 ? 1357 HOH A O 1 HETATM 6670 O O . HOH R 9 . ? -47.760 25.928 2.677 1.00 32.69 ? 1358 HOH A O 1 HETATM 6671 O O . HOH R 9 . ? -31.780 3.348 -23.103 1.00 14.12 ? 1359 HOH A O 1 HETATM 6672 O O . HOH R 9 . ? -30.124 -3.253 -21.370 1.00 25.18 ? 1360 HOH A O 1 HETATM 6673 O O . HOH R 9 . ? -38.533 5.226 -23.316 1.00 31.99 ? 1361 HOH A O 1 HETATM 6674 O O . HOH R 9 . ? -38.805 -1.282 -14.045 1.00 24.78 ? 1362 HOH A O 1 HETATM 6675 O O . HOH R 9 . ? -5.003 -18.082 -21.682 1.00 37.38 ? 1363 HOH A O 1 HETATM 6676 O O . HOH R 9 . ? -31.435 13.571 -40.168 1.00 27.58 ? 1364 HOH A O 1 HETATM 6677 O O . HOH R 9 . ? -3.718 -1.452 -35.889 1.00 37.68 ? 1365 HOH A O 1 HETATM 6678 O O . HOH R 9 . ? -12.796 -1.495 -12.400 1.00 25.36 ? 1366 HOH A O 1 HETATM 6679 O O . HOH R 9 . ? -35.045 -8.478 -9.574 1.00 40.86 ? 1367 HOH A O 1 HETATM 6680 O O . HOH R 9 . ? -43.551 22.263 -5.231 1.00 43.23 ? 1368 HOH A O 1 HETATM 6681 O O . HOH R 9 . ? -42.144 -0.585 6.691 1.00 39.34 ? 1369 HOH A O 1 HETATM 6682 O O . HOH R 9 . ? -19.648 33.530 -23.176 1.00 47.63 ? 1370 HOH A O 1 HETATM 6683 O O . HOH R 9 . ? -29.296 -21.976 -21.806 1.00 22.62 ? 1371 HOH A O 1 HETATM 6684 O O . HOH R 9 . ? -15.382 10.514 -26.435 1.00 26.29 ? 1372 HOH A O 1 HETATM 6685 O O . HOH R 9 . ? -30.711 17.392 -48.195 1.00 38.50 ? 1373 HOH A O 1 HETATM 6686 O O . HOH R 9 . ? -20.310 -3.074 -11.031 1.00 24.98 ? 1374 HOH A O 1 HETATM 6687 O O . HOH R 9 . ? -30.462 -18.810 -27.390 1.00 27.33 ? 1375 HOH A O 1 HETATM 6688 O O . HOH R 9 . ? -21.671 1.218 -26.921 1.00 18.26 ? 1376 HOH A O 1 HETATM 6689 O O . HOH R 9 . ? -25.900 22.517 -40.194 1.00 48.44 ? 1377 HOH A O 1 HETATM 6690 O O . HOH R 9 . ? -3.495 10.925 -44.995 1.00 44.53 ? 1378 HOH A O 1 HETATM 6691 O O . HOH R 9 . ? -21.764 -1.041 -9.944 1.00 27.37 ? 1379 HOH A O 1 HETATM 6692 O O . HOH R 9 . ? -35.566 9.111 -13.111 1.00 21.45 ? 1380 HOH A O 1 HETATM 6693 O O . HOH R 9 . ? -2.179 -14.275 -35.963 1.00 43.87 ? 1381 HOH A O 1 HETATM 6694 O O . HOH R 9 . ? -42.023 -9.670 -52.730 1.00 44.26 ? 1382 HOH A O 1 HETATM 6695 O O . HOH R 9 . ? -20.345 -14.603 -31.069 1.00 33.44 ? 1383 HOH A O 1 HETATM 6696 O O . HOH R 9 . ? -30.559 22.481 -16.939 1.00 25.32 ? 1384 HOH A O 1 HETATM 6697 O O . HOH R 9 . ? -35.495 32.722 0.460 1.00 37.73 ? 1385 HOH A O 1 HETATM 6698 O O . HOH R 9 . ? -21.219 -16.372 -33.443 1.00 38.69 ? 1386 HOH A O 1 HETATM 6699 O O . HOH R 9 . ? -6.999 -19.005 -20.664 1.00 33.26 ? 1387 HOH A O 1 HETATM 6700 O O . HOH R 9 . ? -10.383 10.550 -23.015 1.00 48.46 ? 1388 HOH A O 1 HETATM 6701 O O . HOH R 9 . ? -13.597 3.207 -64.433 1.00 47.61 ? 1389 HOH A O 1 HETATM 6702 O O . HOH R 9 . ? -32.543 19.863 -18.864 1.00 25.07 ? 1390 HOH A O 1 HETATM 6703 O O . HOH R 9 . ? -13.633 -15.608 -7.924 1.00 49.13 ? 1391 HOH A O 1 HETATM 6704 O O . HOH R 9 . ? -43.509 4.192 -42.425 1.00 36.07 ? 1392 HOH A O 1 HETATM 6705 O O . HOH R 9 . ? -45.805 3.888 -7.316 1.00 36.48 ? 1393 HOH A O 1 HETATM 6706 O O . HOH R 9 . ? -43.151 2.258 -58.186 1.00 43.47 ? 1394 HOH A O 1 HETATM 6707 O O . HOH R 9 . ? -27.032 -22.173 -32.110 1.00 27.23 ? 1395 HOH A O 1 HETATM 6708 O O . HOH R 9 . ? -26.947 -3.698 -22.795 1.00 19.85 ? 1396 HOH A O 1 HETATM 6709 O O . HOH R 9 . ? -13.684 -21.381 -8.835 1.00 54.40 ? 1397 HOH A O 1 HETATM 6710 O O . HOH R 9 . ? -28.486 -11.579 -10.907 1.00 48.68 ? 1398 HOH A O 1 HETATM 6711 O O . HOH R 9 . ? -22.763 -12.170 -28.685 1.00 20.32 ? 1399 HOH A O 1 HETATM 6712 O O . HOH R 9 . ? -8.826 10.745 -44.035 1.00 42.39 ? 1400 HOH A O 1 HETATM 6713 O O . HOH R 9 . ? -25.267 -2.281 -29.704 1.00 17.73 ? 1401 HOH A O 1 HETATM 6714 O O . HOH R 9 . ? -24.906 -6.352 -65.573 1.00 51.60 ? 1402 HOH A O 1 HETATM 6715 O O . HOH R 9 . ? -24.818 13.816 -8.114 1.00 39.49 ? 1403 HOH A O 1 HETATM 6716 O O . HOH R 9 . ? -38.764 13.372 2.154 1.00 29.97 ? 1404 HOH A O 1 HETATM 6717 O O . HOH R 9 . ? -37.765 -27.094 -34.174 1.00 44.85 ? 1405 HOH A O 1 HETATM 6718 O O . HOH R 9 . ? -37.868 9.736 -14.167 1.00 35.33 ? 1406 HOH A O 1 HETATM 6719 O O . HOH R 9 . ? -12.467 -9.774 -15.928 1.00 23.94 ? 1407 HOH A O 1 HETATM 6720 O O . HOH R 9 . ? -34.867 -15.618 -51.941 1.00 44.70 ? 1408 HOH A O 1 HETATM 6721 O O . HOH R 9 . ? -20.213 -5.667 -9.775 1.00 24.77 ? 1409 HOH A O 1 HETATM 6722 O O . HOH R 9 . ? -1.535 -16.626 -34.493 1.00 40.16 ? 1410 HOH A O 1 HETATM 6723 O O . HOH R 9 . ? -29.052 -18.033 -13.735 1.00 35.53 ? 1411 HOH A O 1 HETATM 6724 O O . HOH R 9 . ? -42.392 5.646 4.955 1.00 42.11 ? 1412 HOH A O 1 HETATM 6725 O O . HOH R 9 . ? -46.890 18.967 0.368 1.00 44.51 ? 1413 HOH A O 1 HETATM 6726 O O . HOH R 9 . ? -9.951 26.821 -16.389 1.00 47.13 ? 1414 HOH A O 1 HETATM 6727 O O . HOH R 9 . ? -40.640 14.103 4.465 1.00 34.10 ? 1415 HOH A O 1 HETATM 6728 O O . HOH R 9 . ? -32.596 -25.525 -36.280 1.00 37.17 ? 1416 HOH A O 1 HETATM 6729 O O . HOH R 9 . ? -23.928 2.276 -20.571 1.00 20.87 ? 1417 HOH A O 1 HETATM 6730 O O . HOH R 9 . ? -11.517 -11.842 -51.808 1.00 44.62 ? 1418 HOH A O 1 HETATM 6731 O O . HOH R 9 . ? -13.604 -11.161 -13.965 1.00 25.53 ? 1419 HOH A O 1 HETATM 6732 O O . HOH R 9 . ? -41.826 20.803 -25.453 1.00 54.76 ? 1420 HOH A O 1 HETATM 6733 O O . HOH R 9 . ? -35.608 23.887 -33.563 1.00 31.53 ? 1421 HOH A O 1 HETATM 6734 O O . HOH R 9 . ? -5.509 0.397 -40.143 1.00 33.13 ? 1422 HOH A O 1 HETATM 6735 O O . HOH R 9 . ? -15.226 -12.390 -15.763 1.00 21.13 ? 1423 HOH A O 1 HETATM 6736 O O . HOH R 9 . ? -29.393 20.546 -15.457 1.00 24.46 ? 1424 HOH A O 1 HETATM 6737 O O . HOH R 9 . ? -2.769 -8.249 -25.242 1.00 45.26 ? 1425 HOH A O 1 HETATM 6738 O O . HOH R 9 . ? -41.066 4.505 9.282 1.00 42.65 ? 1426 HOH A O 1 HETATM 6739 O O . HOH R 9 . ? -46.859 3.624 -13.622 1.00 26.89 ? 1427 HOH A O 1 HETATM 6740 O O . HOH R 9 . ? -40.638 -6.382 -31.115 1.00 54.17 ? 1428 HOH A O 1 HETATM 6741 O O . HOH R 9 . ? -39.910 29.607 -11.470 1.00 52.75 ? 1429 HOH A O 1 HETATM 6742 O O . HOH R 9 . ? -25.177 8.961 -33.358 1.00 16.89 ? 1430 HOH A O 1 HETATM 6743 O O . HOH R 9 . ? -3.901 9.459 -54.124 1.00 44.94 ? 1431 HOH A O 1 HETATM 6744 O O . HOH R 9 . ? -47.650 13.146 9.506 1.00 43.07 ? 1432 HOH A O 1 HETATM 6745 O O . HOH R 9 . ? -10.811 -14.973 -44.960 1.00 31.71 ? 1433 HOH A O 1 HETATM 6746 O O . HOH R 9 . ? -36.568 21.741 -35.606 1.00 38.39 ? 1434 HOH A O 1 HETATM 6747 O O . HOH R 9 . ? -34.787 14.677 -49.534 1.00 43.09 ? 1435 HOH A O 1 HETATM 6748 O O . HOH R 9 . ? -34.052 14.905 12.552 1.00 37.37 ? 1436 HOH A O 1 HETATM 6749 O O . HOH R 9 . ? -35.856 -8.274 -5.393 1.00 30.00 ? 1437 HOH A O 1 HETATM 6750 O O . HOH R 9 . ? -5.707 -16.505 -41.023 1.00 40.51 ? 1438 HOH A O 1 HETATM 6751 O O . HOH R 9 . ? -36.659 -11.239 -32.125 1.00 27.61 ? 1439 HOH A O 1 HETATM 6752 O O . HOH R 9 . ? -27.304 30.861 -29.185 1.00 49.17 ? 1440 HOH A O 1 HETATM 6753 O O . HOH R 9 . ? -20.474 9.704 -30.324 1.00 19.71 ? 1441 HOH A O 1 HETATM 6754 O O . HOH R 9 . ? -19.829 -25.244 -27.882 1.00 39.08 ? 1442 HOH A O 1 HETATM 6755 O O . HOH R 9 . ? -14.618 -3.526 -17.901 1.00 28.74 ? 1443 HOH A O 1 HETATM 6756 O O . HOH R 9 . ? -38.133 -25.044 -23.007 1.00 45.77 ? 1444 HOH A O 1 HETATM 6757 O O . HOH R 9 . ? -15.896 5.261 -0.891 1.00 37.52 ? 1445 HOH A O 1 HETATM 6758 O O . HOH R 9 . ? -2.695 -6.916 -38.420 1.00 36.04 ? 1446 HOH A O 1 HETATM 6759 O O . HOH R 9 . ? -18.533 19.205 -27.814 1.00 42.37 ? 1447 HOH A O 1 HETATM 6760 O O . HOH R 9 . ? -40.692 0.981 -13.444 1.00 26.29 ? 1448 HOH A O 1 HETATM 6761 O O . HOH R 9 . ? -25.197 -9.567 -62.499 1.00 52.75 ? 1449 HOH A O 1 HETATM 6762 O O . HOH R 9 . ? -37.407 -8.439 -30.850 1.00 26.14 ? 1450 HOH A O 1 HETATM 6763 O O . HOH R 9 . ? -36.552 14.560 11.511 1.00 36.49 ? 1451 HOH A O 1 HETATM 6764 O O . HOH R 9 . ? -20.780 -8.936 -14.164 1.00 27.51 ? 1452 HOH A O 1 HETATM 6765 O O . HOH R 9 . ? -36.637 4.780 -14.588 1.00 19.58 ? 1453 HOH A O 1 HETATM 6766 O O . HOH R 9 . ? -38.037 26.634 -1.880 1.00 28.25 ? 1454 HOH A O 1 HETATM 6767 O O . HOH R 9 . ? -1.667 -10.142 -34.321 1.00 36.68 ? 1455 HOH A O 1 HETATM 6768 O O . HOH R 9 . ? -35.188 8.101 -58.459 1.00 43.83 ? 1456 HOH A O 1 HETATM 6769 O O . HOH R 9 . ? -37.258 -7.597 -28.436 1.00 29.12 ? 1457 HOH A O 1 HETATM 6770 O O . HOH R 9 . ? -39.754 24.349 -4.036 1.00 31.71 ? 1458 HOH A O 1 HETATM 6771 O O . HOH R 9 . ? -21.656 -17.588 -52.211 1.00 40.17 ? 1459 HOH A O 1 HETATM 6772 O O . HOH R 9 . ? -32.086 -15.705 -23.304 1.00 22.61 ? 1460 HOH A O 1 HETATM 6773 O O . HOH R 9 . ? -34.928 23.582 17.232 1.00 42.33 ? 1461 HOH A O 1 HETATM 6774 O O . HOH R 9 . ? -16.028 20.323 -42.652 1.00 33.85 ? 1462 HOH A O 1 HETATM 6775 O O . HOH R 9 . ? -12.982 0.850 -18.738 1.00 34.40 ? 1463 HOH A O 1 HETATM 6776 O O . HOH R 9 . ? -0.224 1.711 -54.460 1.00 43.84 ? 1464 HOH A O 1 HETATM 6777 O O . HOH R 9 . ? -14.991 8.714 -29.844 1.00 30.74 ? 1465 HOH A O 1 HETATM 6778 O O . HOH R 9 . ? -19.295 -17.521 -32.668 1.00 32.48 ? 1466 HOH A O 1 HETATM 6779 O O . HOH R 9 . ? -31.846 -19.007 -19.658 1.00 28.72 ? 1467 HOH A O 1 HETATM 6780 O O . HOH R 9 . ? -0.014 -15.114 -34.238 1.00 48.67 ? 1468 HOH A O 1 HETATM 6781 O O . HOH R 9 . ? -6.951 -0.282 -33.320 1.00 28.06 ? 1469 HOH A O 1 HETATM 6782 O O . HOH R 9 . ? -20.170 1.534 1.973 1.00 43.12 ? 1470 HOH A O 1 HETATM 6783 O O . HOH R 9 . ? -4.830 -8.854 -51.419 1.00 43.43 ? 1471 HOH A O 1 HETATM 6784 O O . HOH R 9 . ? -46.488 20.503 -18.973 1.00 44.77 ? 1472 HOH A O 1 HETATM 6785 O O . HOH R 9 . ? -17.837 -14.178 -31.451 1.00 24.31 ? 1473 HOH A O 1 HETATM 6786 O O . HOH R 9 . ? -36.065 31.620 3.542 1.00 43.55 ? 1474 HOH A O 1 HETATM 6787 O O . HOH R 9 . ? -37.054 25.390 -17.068 1.00 35.22 ? 1475 HOH A O 1 HETATM 6788 O O . HOH R 9 . ? -40.810 25.005 -15.887 1.00 40.39 ? 1476 HOH A O 1 HETATM 6789 O O . HOH R 9 . ? -24.518 2.148 -33.535 1.00 21.94 ? 1477 HOH A O 1 HETATM 6790 O O . HOH R 9 . ? -11.828 -15.930 -35.098 1.00 39.00 ? 1478 HOH A O 1 HETATM 6791 O O . HOH R 9 . ? -11.406 5.849 -61.407 1.00 45.69 ? 1479 HOH A O 1 HETATM 6792 O O . HOH R 9 . ? -26.593 11.161 -34.327 1.00 20.31 ? 1480 HOH A O 1 HETATM 6793 O O . HOH R 9 . ? -16.859 9.624 -29.066 1.00 25.27 ? 1481 HOH A O 1 HETATM 6794 O O . HOH R 9 . ? -43.201 11.706 11.622 1.00 41.32 ? 1482 HOH A O 1 HETATM 6795 O O . HOH R 9 . ? -42.594 -1.437 -55.480 1.00 49.59 ? 1483 HOH A O 1 HETATM 6796 O O . HOH R 9 . ? -20.181 -12.369 -11.274 1.00 44.23 ? 1484 HOH A O 1 HETATM 6797 O O . HOH R 9 . ? -37.534 -12.144 -27.560 1.00 24.74 ? 1485 HOH A O 1 HETATM 6798 O O . HOH R 9 . ? -42.388 2.523 -6.470 1.00 28.12 ? 1486 HOH A O 1 HETATM 6799 O O . HOH R 9 . ? -50.167 20.427 -12.277 1.00 51.31 ? 1487 HOH A O 1 HETATM 6800 O O . HOH R 9 . ? -31.344 -1.199 -68.255 1.00 50.61 ? 1488 HOH A O 1 HETATM 6801 O O . HOH R 9 . ? -25.269 -12.113 -9.750 1.00 56.93 ? 1489 HOH A O 1 HETATM 6802 O O . HOH R 9 . ? -50.338 9.136 -22.488 1.00 67.76 ? 1490 HOH A O 1 HETATM 6803 O O . HOH R 9 . ? -9.149 -18.948 -9.408 1.00 47.72 ? 1491 HOH A O 1 HETATM 6804 O O . HOH R 9 . ? -3.183 -17.693 -25.428 1.00 35.76 ? 1492 HOH A O 1 HETATM 6805 O O . HOH R 9 . ? -18.580 -20.540 -32.079 1.00 30.40 ? 1493 HOH A O 1 HETATM 6806 O O . HOH R 9 . ? -24.039 9.464 -0.752 1.00 36.37 ? 1494 HOH A O 1 HETATM 6807 O O . HOH R 9 . ? -10.536 24.418 -24.165 1.00 39.98 ? 1495 HOH A O 1 HETATM 6808 O O . HOH R 9 . ? -20.591 -7.299 -73.469 1.00 63.14 ? 1496 HOH A O 1 HETATM 6809 O O . HOH R 9 . ? -38.758 6.252 -34.763 1.00 22.90 ? 1497 HOH A O 1 HETATM 6810 O O . HOH R 9 . ? -38.498 -2.968 -26.889 1.00 33.12 ? 1498 HOH A O 1 HETATM 6811 O O . HOH R 9 . ? -12.193 13.471 -20.026 1.00 51.12 ? 1499 HOH A O 1 HETATM 6812 O O . HOH R 9 . ? -32.359 -10.619 -60.196 1.00 49.69 ? 1500 HOH A O 1 HETATM 6813 O O . HOH R 9 . ? -11.789 20.687 -56.009 1.00 66.57 ? 1501 HOH A O 1 HETATM 6814 O O . HOH R 9 . ? -5.502 -5.607 -25.674 1.00 44.13 ? 1502 HOH A O 1 HETATM 6815 O O . HOH R 9 . ? -40.444 -8.162 -39.886 1.00 31.51 ? 1503 HOH A O 1 HETATM 6816 O O . HOH R 9 . ? -40.790 -5.494 -42.935 1.00 31.13 ? 1504 HOH A O 1 HETATM 6817 O O . HOH R 9 . ? -16.999 27.291 -13.143 1.00 38.95 ? 1505 HOH A O 1 HETATM 6818 O O . HOH R 9 . ? -47.044 6.176 -0.543 1.00 42.72 ? 1506 HOH A O 1 HETATM 6819 O O . HOH R 9 . ? -33.500 22.591 -27.111 1.00 40.10 ? 1507 HOH A O 1 HETATM 6820 O O . HOH R 9 . ? -22.692 30.633 0.600 1.00 67.16 ? 1508 HOH A O 1 HETATM 6821 O O . HOH R 9 . ? -42.472 12.246 -36.504 1.00 41.68 ? 1509 HOH A O 1 HETATM 6822 O O . HOH R 9 . ? -19.970 31.080 -14.457 1.00 42.72 ? 1510 HOH A O 1 HETATM 6823 O O . HOH R 9 . ? -12.959 7.048 -41.175 1.00 33.10 ? 1511 HOH A O 1 HETATM 6824 O O . HOH R 9 . ? -34.385 -7.785 -13.996 1.00 43.38 ? 1512 HOH A O 1 HETATM 6825 O O . HOH R 9 . ? -23.112 22.084 -32.263 1.00 48.02 ? 1513 HOH A O 1 HETATM 6826 O O . HOH R 9 . ? -38.383 37.715 -4.614 1.00 47.53 ? 1514 HOH A O 1 HETATM 6827 O O . HOH R 9 . ? -44.356 7.157 6.617 1.00 51.29 ? 1515 HOH A O 1 HETATM 6828 O O . HOH R 9 . ? -34.515 8.148 -30.310 1.00 34.90 ? 1516 HOH A O 1 HETATM 6829 O O . HOH R 9 . ? -40.279 1.948 -27.245 1.00 39.91 ? 1517 HOH A O 1 HETATM 6830 O O . HOH R 9 . ? -17.272 -6.096 -0.169 1.00 62.06 ? 1518 HOH A O 1 HETATM 6831 O O . HOH R 9 . ? -28.731 25.412 13.669 1.00 49.56 ? 1519 HOH A O 1 HETATM 6832 O O . HOH R 9 . ? -22.177 -7.445 -0.773 1.00 49.47 ? 1520 HOH A O 1 HETATM 6833 O O . HOH R 9 . ? -42.699 6.225 10.546 1.00 41.08 ? 1521 HOH A O 1 HETATM 6834 O O . HOH R 9 . ? -30.320 -12.696 -47.224 1.00 28.70 ? 1522 HOH A O 1 HETATM 6835 O O . HOH R 9 . ? -42.298 -4.096 10.762 1.00 51.81 ? 1523 HOH A O 1 HETATM 6836 O O . HOH R 9 . ? -15.068 0.335 -22.287 1.00 33.35 ? 1524 HOH A O 1 HETATM 6837 O O . HOH R 9 . ? -43.310 35.308 -2.729 1.00 40.14 ? 1525 HOH A O 1 HETATM 6838 O O . HOH R 9 . ? -5.924 11.678 -43.698 1.00 51.12 ? 1526 HOH A O 1 HETATM 6839 O O . HOH R 9 . ? -30.353 19.804 20.079 1.00 59.00 ? 1527 HOH A O 1 HETATM 6840 O O . HOH R 9 . ? -43.779 20.630 -22.877 1.00 45.26 ? 1528 HOH A O 1 HETATM 6841 O O . HOH R 9 . ? -14.366 31.187 -16.832 1.00 45.68 ? 1529 HOH A O 1 HETATM 6842 O O . HOH R 9 . ? -50.444 9.828 -0.719 1.00 55.57 ? 1530 HOH A O 1 HETATM 6843 O O . HOH R 9 . ? -9.120 12.119 -67.392 1.00 66.20 ? 1531 HOH A O 1 HETATM 6844 O O . HOH R 9 . ? -26.886 29.817 -18.275 1.00 38.92 ? 1532 HOH A O 1 HETATM 6845 O O . HOH R 9 . ? -29.751 1.127 6.683 1.00 57.18 ? 1533 HOH A O 1 HETATM 6846 O O . HOH R 9 . ? -45.403 0.323 -42.832 1.00 40.34 ? 1534 HOH A O 1 HETATM 6847 O O . HOH R 9 . ? -39.981 0.307 7.788 1.00 37.69 ? 1535 HOH A O 1 HETATM 6848 O O . HOH R 9 . ? -25.841 2.010 -31.146 1.00 21.60 ? 1536 HOH A O 1 HETATM 6849 O O . HOH R 9 . ? -51.416 12.439 -3.872 1.00 57.18 ? 1537 HOH A O 1 HETATM 6850 O O . HOH R 9 . ? -39.834 -22.840 -35.657 1.00 45.47 ? 1538 HOH A O 1 HETATM 6851 O O . HOH R 9 . ? -48.464 -0.296 -48.725 1.00 53.68 ? 1539 HOH A O 1 HETATM 6852 O O . HOH R 9 . ? -32.929 15.845 -47.420 1.00 42.17 ? 1540 HOH A O 1 HETATM 6853 O O . HOH R 9 . ? -7.431 -12.918 -49.203 1.00 42.31 ? 1541 HOH A O 1 HETATM 6854 O O . HOH R 9 . ? -28.838 21.082 -40.225 1.00 43.60 ? 1542 HOH A O 1 HETATM 6855 O O . HOH R 9 . ? -24.101 22.278 -38.082 1.00 50.61 ? 1543 HOH A O 1 HETATM 6856 O O . HOH R 9 . ? -48.646 8.306 -3.695 1.00 40.34 ? 1544 HOH A O 1 HETATM 6857 O O . HOH R 9 . ? -7.690 29.262 -30.425 1.00 59.10 ? 1545 HOH A O 1 HETATM 6858 O O . HOH R 9 . ? -44.897 13.939 -5.452 1.00 38.09 ? 1546 HOH A O 1 HETATM 6859 O O . HOH R 9 . ? -1.562 -17.066 -24.084 1.00 39.08 ? 1547 HOH A O 1 HETATM 6860 O O . HOH R 9 . ? -28.030 -5.217 -9.879 1.00 42.75 ? 1548 HOH A O 1 HETATM 6861 O O . HOH R 9 . ? -11.442 -3.575 1.288 1.00 58.35 ? 1549 HOH A O 1 HETATM 6862 O O . HOH R 9 . ? -28.229 -3.659 -11.890 1.00 36.92 ? 1550 HOH A O 1 HETATM 6863 O O . HOH R 9 . ? -15.358 11.654 -33.603 1.00 33.64 ? 1551 HOH A O 1 HETATM 6864 O O . HOH R 9 . ? 0.009 -12.987 -25.697 1.00 42.64 ? 1552 HOH A O 1 HETATM 6865 O O . HOH R 9 . ? -14.452 -5.791 -23.698 1.00 28.66 ? 1553 HOH A O 1 HETATM 6866 O O . HOH R 9 . ? -15.769 17.620 -37.750 1.00 45.49 ? 1554 HOH A O 1 HETATM 6867 O O . HOH R 9 . ? -15.101 -13.499 -33.472 1.00 28.52 ? 1555 HOH A O 1 HETATM 6868 O O . HOH R 9 . ? -35.442 -10.058 -58.322 1.00 39.22 ? 1556 HOH A O 1 HETATM 6869 O O . HOH R 9 . ? -24.843 0.305 -29.230 1.00 20.10 ? 1557 HOH A O 1 HETATM 6870 O O . HOH R 9 . ? -39.561 19.024 -46.028 1.00 45.14 ? 1558 HOH A O 1 HETATM 6871 O O . HOH R 9 . ? -33.946 21.624 -36.029 1.00 25.24 ? 1559 HOH A O 1 HETATM 6872 O O . HOH R 9 . ? -42.659 -14.850 -44.736 1.00 40.31 ? 1560 HOH A O 1 HETATM 6873 O O . HOH R 9 . ? -10.720 16.670 -36.521 1.00 58.27 ? 1561 HOH A O 1 HETATM 6874 O O . HOH R 9 . ? -35.937 0.409 12.010 1.00 51.94 ? 1562 HOH A O 1 HETATM 6875 O O . HOH R 9 . ? -32.008 11.577 -38.969 1.00 25.90 ? 1563 HOH A O 1 HETATM 6876 O O . HOH R 9 . ? -28.490 28.277 -24.691 1.00 41.89 ? 1564 HOH A O 1 HETATM 6877 O O . HOH R 9 . ? -14.286 -9.858 -57.563 1.00 46.57 ? 1565 HOH A O 1 HETATM 6878 O O . HOH R 9 . ? -23.580 -7.805 -8.177 1.00 37.86 ? 1566 HOH A O 1 HETATM 6879 O O . HOH R 9 . ? -37.205 24.320 -11.807 1.00 21.70 ? 1567 HOH A O 1 HETATM 6880 O O . HOH R 9 . ? -22.063 20.239 -40.625 1.00 38.79 ? 1568 HOH A O 1 HETATM 6881 O O . HOH R 9 . ? -29.654 -11.312 -17.934 1.00 23.03 ? 1569 HOH A O 1 HETATM 6882 O O . HOH R 9 . ? -14.316 -8.966 -6.028 1.00 37.19 ? 1570 HOH A O 1 HETATM 6883 O O . HOH R 9 . ? -30.674 -17.371 -21.699 1.00 21.28 ? 1571 HOH A O 1 HETATM 6884 O O . HOH R 9 . ? -11.107 -7.493 -18.899 1.00 34.84 ? 1572 HOH A O 1 HETATM 6885 O O . HOH R 9 . ? -26.033 -25.109 -15.295 1.00 39.91 ? 1573 HOH A O 1 HETATM 6886 O O . HOH R 9 . ? -36.564 10.273 15.815 1.00 45.04 ? 1574 HOH A O 1 HETATM 6887 O O . HOH R 9 . ? -42.803 -5.485 -19.376 1.00 47.20 ? 1575 HOH A O 1 HETATM 6888 O O . HOH R 9 . ? -19.896 16.155 -25.836 1.00 26.00 ? 1576 HOH A O 1 HETATM 6889 O O . HOH R 9 . ? -29.772 -13.753 -58.860 1.00 39.57 ? 1577 HOH A O 1 HETATM 6890 O O . HOH R 9 . ? -21.734 -1.559 -7.480 1.00 28.89 ? 1578 HOH A O 1 HETATM 6891 O O . HOH R 9 . ? -37.228 -11.154 -34.954 1.00 34.63 ? 1579 HOH A O 1 HETATM 6892 O O . HOH R 9 . ? -46.197 6.342 -18.316 1.00 33.99 ? 1580 HOH A O 1 HETATM 6893 O O . HOH R 9 . ? -35.688 -15.262 -16.628 1.00 59.22 ? 1581 HOH A O 1 HETATM 6894 O O . HOH R 9 . ? -38.074 9.989 -22.796 1.00 38.86 ? 1582 HOH A O 1 HETATM 6895 O O . HOH R 9 . ? -3.562 -1.089 -31.857 1.00 46.85 ? 1583 HOH A O 1 HETATM 6896 O O . HOH R 9 . ? -10.548 16.870 -38.792 1.00 51.48 ? 1584 HOH A O 1 HETATM 6897 O O . HOH R 9 . ? -19.818 25.474 -6.491 1.00 47.66 ? 1585 HOH A O 1 HETATM 6898 O O . HOH R 9 . ? -16.906 -3.961 -20.232 1.00 34.95 ? 1586 HOH A O 1 HETATM 6899 O O . HOH R 9 . ? -36.907 13.723 -33.098 1.00 30.19 ? 1587 HOH A O 1 HETATM 6900 O O . HOH R 9 . ? -32.754 -11.641 -13.748 1.00 47.35 ? 1588 HOH A O 1 HETATM 6901 O O . HOH R 9 . ? -36.528 7.145 -30.044 1.00 43.55 ? 1589 HOH A O 1 HETATM 6902 O O . HOH R 9 . ? -11.551 -4.239 -22.640 1.00 41.49 ? 1590 HOH A O 1 HETATM 6903 O O . HOH R 9 . ? -19.665 19.704 -39.961 1.00 41.39 ? 1591 HOH A O 1 HETATM 6904 O O . HOH R 9 . ? -34.362 31.499 -13.929 1.00 44.92 ? 1592 HOH A O 1 HETATM 6905 O O . HOH R 9 . ? -48.365 7.144 -5.726 1.00 40.86 ? 1593 HOH A O 1 HETATM 6906 O O . HOH R 9 . ? -5.559 10.941 -53.317 1.00 45.58 ? 1595 HOH A O 1 HETATM 6907 O O . HOH R 9 . ? -34.842 26.608 -30.061 1.00 43.32 ? 1596 HOH A O 1 HETATM 6908 O O . HOH R 9 . ? -28.370 -27.363 -18.425 1.00 47.64 ? 1597 HOH A O 1 HETATM 6909 O O . HOH R 9 . ? -22.525 22.428 -48.922 1.00 43.13 ? 1598 HOH A O 1 HETATM 6910 O O . HOH R 9 . ? -9.635 -15.559 -39.385 1.00 43.78 ? 1599 HOH A O 1 HETATM 6911 O O . HOH R 9 . ? -24.336 20.455 -30.857 1.00 40.23 ? 1600 HOH A O 1 HETATM 6912 O O . HOH R 9 . ? -25.870 -21.659 -34.412 1.00 43.84 ? 1601 HOH A O 1 HETATM 6913 O O . HOH R 9 . ? -23.177 -10.781 -8.463 1.00 46.78 ? 1602 HOH A O 1 HETATM 6914 O O . HOH R 9 . ? -35.877 18.081 -48.757 1.00 46.89 ? 1603 HOH A O 1 HETATM 6915 O O . HOH R 9 . ? -28.053 17.685 -18.542 1.00 23.48 ? 1604 HOH A O 1 HETATM 6916 O O . HOH R 9 . ? -40.194 -5.974 -24.496 1.00 34.29 ? 1605 HOH A O 1 HETATM 6917 O O . HOH R 9 . ? -23.732 -10.010 -3.833 1.00 46.98 ? 1606 HOH A O 1 HETATM 6918 O O . HOH R 9 . ? -25.245 -16.149 -59.072 1.00 50.50 ? 1607 HOH A O 1 HETATM 6919 O O . HOH R 9 . ? -25.698 27.246 -22.232 1.00 41.00 ? 1608 HOH A O 1 HETATM 6920 O O . HOH R 9 . ? -32.820 21.238 -39.097 1.00 45.06 ? 1609 HOH A O 1 HETATM 6921 O O . HOH R 9 . ? -44.164 16.066 6.829 1.00 43.86 ? 1610 HOH A O 1 HETATM 6922 O O . HOH R 9 . ? -36.664 -8.212 -12.697 1.00 41.33 ? 1611 HOH A O 1 HETATM 6923 O O . HOH R 9 . ? -45.896 5.388 -15.536 1.00 34.47 ? 1612 HOH A O 1 HETATM 6924 O O . HOH R 9 . ? -16.359 -21.185 -33.380 1.00 41.47 ? 1613 HOH A O 1 HETATM 6925 O O . HOH R 9 . ? -20.133 -26.529 -16.991 1.00 44.56 ? 1614 HOH A O 1 HETATM 6926 O O . HOH R 9 . ? -12.596 -9.559 -4.976 1.00 54.87 ? 1615 HOH A O 1 HETATM 6927 O O . HOH R 9 . ? -9.468 -4.068 -9.051 1.00 44.21 ? 1616 HOH A O 1 HETATM 6928 O O . HOH R 9 . ? -47.648 17.587 20.695 1.00 49.05 ? 1617 HOH A O 1 HETATM 6929 O O . HOH R 9 . ? -48.521 8.241 -11.665 1.00 43.04 ? 1618 HOH A O 1 HETATM 6930 O O . HOH R 9 . ? -28.649 -23.619 -39.003 1.00 47.91 ? 1619 HOH A O 1 HETATM 6931 O O . HOH R 9 . ? -31.514 15.139 -52.326 1.00 36.54 ? 1620 HOH A O 1 HETATM 6932 O O . HOH R 9 . ? -41.550 9.443 -51.761 1.00 41.12 ? 1621 HOH A O 1 HETATM 6933 O O . HOH R 9 . ? -30.400 27.221 13.466 1.00 48.65 ? 1622 HOH A O 1 HETATM 6934 O O . HOH R 9 . ? -2.887 -13.409 -14.414 1.00 58.32 ? 1623 HOH A O 1 HETATM 6935 O O . HOH R 9 . ? -26.275 16.268 13.969 1.00 51.18 ? 1624 HOH A O 1 HETATM 6936 O O . HOH R 9 . ? -29.972 27.466 -22.220 1.00 36.30 ? 1625 HOH A O 1 HETATM 6937 O O . HOH R 9 . ? -40.118 -17.115 -21.934 1.00 50.31 ? 1626 HOH A O 1 HETATM 6938 O O . HOH R 9 . ? -5.100 3.909 -33.580 1.00 47.45 ? 1627 HOH A O 1 HETATM 6939 O O . HOH R 9 . ? -46.694 19.256 5.734 1.00 45.33 ? 1628 HOH A O 1 HETATM 6940 O O . HOH R 9 . ? -23.457 16.652 -55.475 1.00 51.27 ? 1629 HOH A O 1 HETATM 6941 O O . HOH R 9 . ? -41.210 14.313 -31.416 1.00 48.88 ? 1630 HOH A O 1 HETATM 6942 O O . HOH R 9 . ? -10.918 -24.768 -13.162 1.00 46.90 ? 1631 HOH A O 1 HETATM 6943 O O . HOH R 9 . ? -33.717 -6.205 -1.271 1.00 57.42 ? 1632 HOH A O 1 HETATM 6944 O O . HOH R 9 . ? -7.361 -20.029 -14.050 1.00 52.30 ? 1633 HOH A O 1 HETATM 6945 O O . HOH R 9 . ? -45.396 14.795 -3.422 1.00 45.09 ? 1634 HOH A O 1 HETATM 6946 O O . HOH R 9 . ? -44.589 10.906 -65.591 1.00 59.49 ? 1635 HOH A O 1 HETATM 6947 O O . HOH R 9 . ? -11.578 -5.960 -13.402 1.00 36.50 ? 1636 HOH A O 1 HETATM 6948 O O . HOH R 9 . ? -11.380 13.079 -1.105 1.00 50.32 ? 1637 HOH A O 1 HETATM 6949 O O . HOH R 9 . ? -42.316 15.047 -53.214 1.00 58.02 ? 1638 HOH A O 1 HETATM 6950 O O . HOH R 9 . ? -34.590 -12.699 -58.316 1.00 50.30 ? 1639 HOH A O 1 HETATM 6951 O O . HOH R 9 . ? -14.398 -28.575 -24.508 1.00 43.29 ? 1640 HOH A O 1 HETATM 6952 O O . HOH R 9 . ? -35.974 17.345 -53.498 1.00 63.50 ? 1641 HOH A O 1 HETATM 6953 O O . HOH R 9 . ? -33.545 -18.383 -17.614 1.00 45.04 ? 1642 HOH A O 1 HETATM 6954 O O . HOH R 9 . ? -7.958 28.836 -11.946 1.00 57.93 ? 1643 HOH A O 1 HETATM 6955 O O . HOH R 9 . ? -10.346 19.296 -7.039 1.00 50.87 ? 1644 HOH A O 1 HETATM 6956 O O . HOH R 9 . ? -42.026 10.214 9.749 1.00 43.59 ? 1645 HOH A O 1 HETATM 6957 O O . HOH R 9 . ? -42.070 -5.841 -53.601 1.00 46.99 ? 1646 HOH A O 1 HETATM 6958 O O . HOH R 9 . ? 0.409 -11.516 -28.414 1.00 35.12 ? 1647 HOH A O 1 HETATM 6959 O O . HOH R 9 . ? -42.103 -8.148 8.913 1.00 42.90 ? 1648 HOH A O 1 HETATM 6960 O O . HOH R 9 . ? -31.269 37.242 -8.279 1.00 51.11 ? 1649 HOH A O 1 HETATM 6961 O O . HOH R 9 . ? -49.141 12.010 5.093 1.00 46.86 ? 1650 HOH A O 1 HETATM 6962 O O . HOH R 9 . ? -36.748 -11.134 -22.781 1.00 44.20 ? 1651 HOH A O 1 HETATM 6963 O O . HOH R 9 . ? -6.491 4.913 -11.400 1.00 52.89 ? 1652 HOH A O 1 HETATM 6964 O O . HOH R 9 . ? -15.631 15.934 -0.665 1.00 54.69 ? 1653 HOH A O 1 HETATM 6965 O O . HOH R 9 . ? -24.488 17.706 11.398 1.00 58.06 ? 1654 HOH A O 1 HETATM 6966 O O . HOH R 9 . ? -1.368 -10.361 -19.657 1.00 52.69 ? 1655 HOH A O 1 HETATM 6967 O O . HOH R 9 . ? -36.510 33.420 -24.938 1.00 30.00 ? 1656 HOH A O 1 HETATM 6968 O O . HOH R 9 . ? -50.639 13.991 15.617 1.00 42.55 ? 1657 HOH A O 1 HETATM 6969 O O . HOH R 9 . ? -19.059 -30.882 -12.899 1.00 55.46 ? 1658 HOH A O 1 HETATM 6970 O O . HOH R 9 . ? -47.562 -7.383 -46.917 1.00 56.43 ? 1659 HOH A O 1 HETATM 6971 O O . HOH R 9 . ? -46.942 0.171 -7.717 1.00 35.20 ? 1660 HOH A O 1 HETATM 6972 O O . HOH R 9 . ? -5.525 -24.260 -15.905 1.00 54.61 ? 1661 HOH A O 1 HETATM 6973 O O . HOH R 9 . ? -22.289 21.366 -54.064 1.00 79.82 ? 1662 HOH A O 1 HETATM 6974 O O . HOH R 9 . ? -43.255 22.817 -20.664 1.00 53.70 ? 1663 HOH A O 1 HETATM 6975 O O . HOH R 9 . ? -45.114 9.100 -47.912 1.00 52.55 ? 1664 HOH A O 1 HETATM 6976 O O . HOH R 9 . ? -13.308 20.663 -44.844 1.00 52.60 ? 1665 HOH A O 1 HETATM 6977 O O . HOH R 9 . ? -7.806 8.707 -64.199 1.00 74.15 ? 1666 HOH A O 1 HETATM 6978 O O . HOH R 9 . ? -26.902 -21.922 -48.463 1.00 66.59 ? 1667 HOH A O 1 HETATM 6979 O O . HOH R 9 . ? -17.486 5.071 1.152 1.00 46.19 ? 1668 HOH A O 1 HETATM 6980 O O . HOH R 9 . ? -34.831 19.423 -26.039 1.00 34.78 ? 1669 HOH A O 1 HETATM 6981 O O . HOH R 9 . ? -35.306 17.365 -51.210 1.00 59.23 ? 1670 HOH A O 1 HETATM 6982 O O . HOH R 9 . ? -36.501 10.583 -30.878 1.00 42.96 ? 1671 HOH A O 1 HETATM 6983 O O . HOH R 9 . ? -0.157 -11.749 -42.254 1.00 43.42 ? 1672 HOH A O 1 HETATM 6984 O O . HOH R 9 . ? -8.822 24.804 -16.880 1.00 51.95 ? 1673 HOH A O 1 HETATM 6985 O O . HOH R 9 . ? -7.944 -34.033 -32.042 1.00 62.54 ? 1674 HOH A O 1 HETATM 6986 O O . HOH R 9 . ? -28.147 28.963 -32.560 1.00 52.22 ? 1675 HOH A O 1 HETATM 6987 O O . HOH R 9 . ? -16.288 23.966 -29.551 1.00 42.58 ? 1676 HOH A O 1 HETATM 6988 O O . HOH R 9 . ? -40.809 26.168 -2.149 1.00 35.71 ? 1677 HOH A O 1 HETATM 6989 O O . HOH R 9 . ? -5.217 -26.006 -33.539 1.00 57.74 ? 1678 HOH A O 1 HETATM 6990 O O . HOH R 9 . ? -13.895 1.752 -20.783 1.00 38.92 ? 1679 HOH A O 1 HETATM 6991 O O . HOH R 9 . ? -39.728 11.217 -34.932 1.00 45.81 ? 1680 HOH A O 1 HETATM 6992 O O . HOH R 9 . ? -38.329 3.877 -28.282 1.00 40.74 ? 1681 HOH A O 1 HETATM 6993 O O . HOH R 9 . ? -30.268 29.311 17.236 1.00 55.52 ? 1682 HOH A O 1 HETATM 6994 O O . HOH R 9 . ? -26.407 -7.671 -10.361 1.00 44.69 ? 1683 HOH A O 1 HETATM 6995 O O . HOH R 9 . ? -40.492 -9.370 -14.587 1.00 37.68 ? 1684 HOH A O 1 HETATM 6996 O O . HOH R 9 . ? -30.845 -3.794 -8.785 1.00 37.64 ? 1685 HOH A O 1 HETATM 6997 O O . HOH R 9 . ? -8.329 -9.219 -52.394 1.00 48.38 ? 1686 HOH A O 1 HETATM 6998 O O . HOH R 9 . ? -14.074 17.882 -45.464 1.00 42.50 ? 1687 HOH A O 1 HETATM 6999 O O . HOH R 9 . ? -43.592 2.458 -20.498 1.00 42.03 ? 1688 HOH A O 1 HETATM 7000 O O . HOH R 9 . ? -48.162 -8.475 -44.126 1.00 58.06 ? 1689 HOH A O 1 HETATM 7001 O O . HOH R 9 . ? -16.561 -12.729 -36.996 1.00 33.52 ? 1690 HOH A O 1 HETATM 7002 O O . HOH R 9 . ? -41.314 36.255 -2.497 1.00 48.02 ? 1691 HOH A O 1 HETATM 7003 O O . HOH R 9 . ? -30.981 -12.502 -61.092 1.00 55.97 ? 1692 HOH A O 1 HETATM 7004 O O . HOH R 9 . ? -46.812 18.675 3.335 1.00 44.83 ? 1693 HOH A O 1 HETATM 7005 O O . HOH R 9 . ? -48.002 -0.224 -45.560 1.00 48.19 ? 1694 HOH A O 1 HETATM 7006 O O . HOH R 9 . ? -47.506 4.526 -8.922 1.00 43.84 ? 1695 HOH A O 1 HETATM 7007 O O . HOH R 9 . ? -36.113 16.161 -27.950 1.00 42.50 ? 1696 HOH A O 1 HETATM 7008 O O . HOH R 9 . ? -19.116 -7.593 -0.854 1.00 59.66 ? 1697 HOH A O 1 HETATM 7009 O O . HOH R 9 . ? -42.942 -17.869 -47.971 1.00 42.47 ? 1698 HOH A O 1 HETATM 7010 O O . HOH R 9 . ? -48.171 14.964 6.071 1.00 51.81 ? 1699 HOH A O 1 HETATM 7011 O O . HOH R 9 . ? -24.602 5.621 -71.305 1.00 58.30 ? 1700 HOH A O 1 HETATM 7012 O O . HOH R 9 . ? -40.753 3.885 -22.644 1.00 41.55 ? 1701 HOH A O 1 HETATM 7013 O O . HOH R 9 . ? -34.838 13.535 -27.865 1.00 34.17 ? 1702 HOH A O 1 HETATM 7014 O O . HOH R 9 . ? -22.111 16.524 -30.277 1.00 44.39 ? 1703 HOH A O 1 HETATM 7015 O O . HOH R 9 . ? -33.603 -14.600 -21.363 1.00 38.53 ? 1704 HOH A O 1 HETATM 7016 O O . HOH R 9 . ? -35.072 -12.442 -22.711 1.00 43.47 ? 1705 HOH A O 1 HETATM 7017 O O . HOH R 9 . ? -1.668 9.543 -43.454 1.00 44.51 ? 1706 HOH A O 1 HETATM 7018 O O . HOH R 9 . ? -37.699 -12.375 -30.554 1.00 35.88 ? 1707 HOH A O 1 HETATM 7019 O O . HOH R 9 . ? -18.294 16.542 -27.424 1.00 41.84 ? 1708 HOH A O 1 HETATM 7020 O O . HOH R 9 . ? -21.487 27.325 -30.884 1.00 42.58 ? 1709 HOH A O 1 HETATM 7021 O O . HOH R 9 . ? -2.347 7.195 -24.304 1.00 64.86 ? 1710 HOH A O 1 HETATM 7022 O O . HOH R 9 . ? -8.661 -5.323 -19.010 1.00 56.05 ? 1711 HOH A O 1 HETATM 7023 O O . HOH R 9 . ? -44.287 9.102 -67.458 1.00 62.43 ? 1712 HOH A O 1 HETATM 7024 O O . HOH R 9 . ? -9.114 0.937 -19.544 1.00 51.24 ? 1713 HOH A O 1 HETATM 7025 O O . HOH R 9 . ? -44.235 24.231 -14.605 1.00 42.89 ? 1714 HOH A O 1 HETATM 7026 O O . HOH R 9 . ? -47.975 4.854 -51.368 1.00 50.39 ? 1715 HOH A O 1 HETATM 7027 O O . HOH R 9 . ? -3.320 1.498 -39.661 1.00 35.99 ? 1716 HOH A O 1 HETATM 7028 O O . HOH R 9 . ? -14.980 -11.562 -56.159 1.00 48.19 ? 1717 HOH A O 1 HETATM 7029 O O . HOH R 9 . ? -19.504 -1.582 -83.738 1.00 64.66 ? 1718 HOH A O 1 HETATM 7030 O O . HOH R 9 . ? 1.445 -12.349 -31.993 1.00 50.31 ? 1719 HOH A O 1 HETATM 7031 O O . HOH R 9 . ? -39.812 7.003 15.919 1.00 48.34 ? 1720 HOH A O 1 HETATM 7032 O O . HOH R 9 . ? -4.839 12.388 -12.884 1.00 65.72 ? 1721 HOH A O 1 HETATM 7033 O O . HOH R 9 . ? -42.177 4.997 -61.018 1.00 52.68 ? 1722 HOH A O 1 HETATM 7034 O O . HOH R 9 . ? -12.875 7.528 -28.991 1.00 36.12 ? 1723 HOH A O 1 HETATM 7035 O O . HOH R 9 . ? -32.454 23.702 21.146 1.00 62.73 ? 1724 HOH A O 1 HETATM 7036 O O . HOH R 9 . ? -41.567 21.183 -35.884 1.00 52.29 ? 1725 HOH A O 1 HETATM 7037 O O . HOH R 9 . ? -33.548 24.102 -52.293 1.00 57.94 ? 1726 HOH A O 1 HETATM 7038 O O . HOH R 9 . ? -32.251 4.420 -74.841 1.00 59.10 ? 1727 HOH A O 1 HETATM 7039 O O . HOH R 9 . ? -36.872 16.893 15.121 1.00 42.89 ? 1728 HOH A O 1 HETATM 7040 O O . HOH R 9 . ? -33.546 29.847 -15.369 1.00 42.85 ? 1729 HOH A O 1 HETATM 7041 O O . HOH R 9 . ? -49.387 14.495 -12.985 1.00 46.15 ? 1730 HOH A O 1 HETATM 7042 O O . HOH R 9 . ? -24.371 -28.920 -28.915 1.00 50.82 ? 1731 HOH A O 1 HETATM 7043 O O . HOH R 9 . ? -41.828 -24.824 -32.500 1.00 50.56 ? 1732 HOH A O 1 HETATM 7044 O O . HOH R 9 . ? -9.851 -9.266 -14.950 1.00 40.64 ? 1733 HOH A O 1 HETATM 7045 O O . HOH R 9 . ? -23.324 -11.848 -11.874 1.00 32.94 ? 1734 HOH A O 1 HETATM 7046 O O . HOH R 9 . ? -38.528 -9.280 -27.086 1.00 39.35 ? 1735 HOH A O 1 HETATM 7047 O O . HOH R 9 . ? -18.059 -20.294 -8.247 1.00 58.95 ? 1736 HOH A O 1 HETATM 7048 O O . HOH R 9 . ? -38.840 11.835 -26.846 1.00 45.50 ? 1737 HOH A O 1 HETATM 7049 O O . HOH R 9 . ? -8.943 6.791 -10.061 1.00 43.90 ? 1738 HOH A O 1 HETATM 7050 O O . HOH R 9 . ? -51.554 8.031 -16.289 1.00 55.42 ? 1739 HOH A O 1 HETATM 7051 O O . HOH R 9 . ? -29.352 -27.241 -15.927 1.00 48.01 ? 1740 HOH A O 1 HETATM 7052 O O . HOH R 9 . ? -45.396 4.607 -2.932 1.00 47.94 ? 1741 HOH A O 1 HETATM 7053 O O . HOH R 9 . ? -11.093 9.050 -41.959 1.00 41.94 ? 1742 HOH A O 1 HETATM 7054 O O . HOH R 9 . ? -51.301 9.047 -2.813 1.00 54.97 ? 1743 HOH A O 1 HETATM 7055 O O . HOH R 9 . ? -3.518 -26.271 -31.824 1.00 56.69 ? 1744 HOH A O 1 HETATM 7056 O O . HOH R 9 . ? -34.159 23.456 -45.662 1.00 54.91 ? 1745 HOH A O 1 HETATM 7057 O O . HOH R 9 . ? -31.505 35.664 -4.135 1.00 58.50 ? 1746 HOH A O 1 HETATM 7058 O O . HOH R 9 . ? -42.496 -11.983 -40.642 1.00 44.74 ? 1747 HOH A O 1 HETATM 7059 O O . HOH R 9 . ? -25.561 26.347 -33.004 1.00 35.03 ? 1748 HOH A O 1 HETATM 7060 O O . HOH R 9 . ? -3.083 -20.688 -21.701 1.00 48.61 ? 1749 HOH A O 1 HETATM 7061 O O . HOH R 9 . ? -30.567 -12.875 -15.632 1.00 33.46 ? 1750 HOH A O 1 HETATM 7062 O O . HOH R 9 . ? -10.707 11.525 -17.404 1.00 57.25 ? 1751 HOH A O 1 HETATM 7063 O O . HOH R 9 . ? -48.302 3.126 -53.322 1.00 52.14 ? 1752 HOH A O 1 HETATM 7064 O O . HOH R 9 . ? -45.133 4.475 -17.580 1.00 36.24 ? 1753 HOH A O 1 HETATM 7065 O O . HOH R 9 . ? -30.569 6.002 9.420 1.00 59.25 ? 1754 HOH A O 1 HETATM 7066 O O . HOH R 9 . ? -7.699 -20.347 -10.782 1.00 55.10 ? 1755 HOH A O 1 HETATM 7067 O O . HOH R 9 . ? -41.979 25.195 -0.737 1.00 41.26 ? 1756 HOH A O 1 HETATM 7068 O O . HOH R 9 . ? -33.406 28.286 -18.848 1.00 40.08 ? 1757 HOH A O 1 HETATM 7069 O O . HOH R 9 . ? -41.463 11.555 6.985 1.00 37.67 ? 1758 HOH A O 1 HETATM 7070 O O . HOH R 9 . ? -14.429 -14.550 -44.848 1.00 47.83 ? 1759 HOH A O 1 HETATM 7071 O O . HOH R 9 . ? -1.469 -21.616 -23.566 1.00 60.20 ? 1760 HOH A O 1 HETATM 7072 O O . HOH R 9 . ? -14.517 -16.141 -54.216 1.00 52.38 ? 1761 HOH A O 1 HETATM 7073 O O . HOH R 9 . ? -24.415 13.181 -34.512 1.00 35.80 ? 1762 HOH A O 1 HETATM 7074 O O . HOH R 9 . ? -19.339 -13.062 -8.038 1.00 47.30 ? 1763 HOH A O 1 HETATM 7075 O O . HOH R 9 . ? -46.627 4.905 -44.716 1.00 51.09 ? 1764 HOH A O 1 HETATM 7076 O O . HOH R 9 . ? -23.390 -19.553 -54.738 1.00 55.15 ? 1765 HOH A O 1 HETATM 7077 O O . HOH R 9 . ? -15.072 17.701 -2.181 1.00 48.59 ? 1766 HOH A O 1 HETATM 7078 O O . HOH R 9 . ? -2.487 4.660 -55.480 1.00 48.80 ? 1767 HOH A O 1 HETATM 7079 O O . HOH R 9 . ? -27.076 24.436 -42.999 1.00 59.79 ? 1768 HOH A O 1 HETATM 7080 O O . HOH R 9 . ? -18.740 -4.112 -21.688 1.00 38.43 ? 1769 HOH A O 1 HETATM 7081 O O . HOH R 9 . ? -39.963 -10.865 -35.976 1.00 42.71 ? 1770 HOH A O 1 HETATM 7082 O O . HOH R 9 . ? -0.570 -10.358 -21.741 1.00 47.19 ? 1771 HOH A O 1 HETATM 7083 O O . HOH R 9 . ? -10.933 18.658 -40.772 1.00 52.75 ? 1772 HOH A O 1 HETATM 7084 O O . HOH R 9 . ? -2.020 -24.279 -26.920 1.00 54.56 ? 1773 HOH A O 1 HETATM 7085 O O . HOH R 9 . ? -38.884 11.507 -69.328 1.00 60.32 ? 1774 HOH A O 1 HETATM 7086 O O . HOH R 9 . ? -41.411 -12.032 -37.776 1.00 45.91 ? 1775 HOH A O 1 HETATM 7087 O O . HOH R 9 . ? -15.210 -11.551 -2.202 1.00 60.88 ? 1776 HOH A O 1 HETATM 7088 O O . HOH R 9 . ? -35.938 -16.271 -19.941 1.00 49.66 ? 1777 HOH A O 1 HETATM 7089 O O . HOH R 9 . ? -40.768 1.987 9.959 1.00 42.53 ? 1778 HOH A O 1 HETATM 7090 O O . HOH R 9 . ? -32.629 -6.942 -11.891 1.00 48.84 ? 1779 HOH A O 1 HETATM 7091 O O . HOH R 9 . ? -8.217 4.770 -15.230 1.00 51.30 ? 1780 HOH A O 1 HETATM 7092 O O . HOH R 9 . ? -6.804 -0.608 -9.911 1.00 49.60 ? 1781 HOH A O 1 HETATM 7093 O O . HOH R 9 . ? -14.456 20.358 -39.847 1.00 44.11 ? 1782 HOH A O 1 HETATM 7094 O O . HOH R 9 . ? -42.054 1.343 -23.332 1.00 45.34 ? 1783 HOH A O 1 HETATM 7095 O O . HOH R 9 . ? -46.213 11.761 11.293 1.00 38.43 ? 1784 HOH A O 1 HETATM 7096 O O . HOH R 9 . ? -12.780 22.711 -56.110 1.00 62.26 ? 1785 HOH A O 1 HETATM 7097 O O . HOH R 9 . ? -30.630 29.032 9.803 1.00 44.04 ? 1786 HOH A O 1 HETATM 7098 O O . HOH R 9 . ? -3.764 -28.762 -30.304 1.00 55.31 ? 1787 HOH A O 1 HETATM 7099 O O . HOH R 9 . ? -19.497 19.734 -30.057 1.00 47.61 ? 1788 HOH A O 1 HETATM 7100 O O . HOH R 9 . ? -37.112 17.371 12.010 1.00 36.39 ? 1789 HOH A O 1 HETATM 7101 O O . HOH R 9 . ? -10.088 14.343 -2.094 1.00 50.56 ? 1790 HOH A O 1 HETATM 7102 O O . HOH R 9 . ? -31.544 -11.405 -19.557 1.00 34.43 ? 1791 HOH A O 1 HETATM 7103 O O . HOH R 9 . ? -41.536 8.534 -57.110 1.00 46.07 ? 1792 HOH A O 1 HETATM 7104 O O . HOH R 9 . ? 1.466 -8.305 -38.459 1.00 57.45 ? 1793 HOH A O 1 HETATM 7105 O O . HOH R 9 . ? -26.354 -25.426 -38.212 1.00 58.14 ? 1794 HOH A O 1 HETATM 7106 O O . HOH R 9 . ? -19.394 27.380 -12.711 1.00 37.23 ? 1795 HOH A O 1 HETATM 7107 O O . HOH R 9 . ? -40.633 5.872 -25.303 1.00 38.47 ? 1796 HOH A O 1 HETATM 7108 O O . HOH R 9 . ? -40.218 6.070 -32.711 1.00 35.28 ? 1797 HOH A O 1 HETATM 7109 O O . HOH R 9 . ? -3.752 -16.694 -49.875 1.00 52.52 ? 1798 HOH A O 1 HETATM 7110 O O . HOH R 9 . ? -32.270 30.734 1.847 1.00 44.41 ? 1799 HOH A O 1 HETATM 7111 O O . HOH R 9 . ? -23.351 -4.983 1.355 1.00 50.98 ? 1800 HOH A O 1 HETATM 7112 O O . HOH R 9 . ? -47.914 3.968 -3.671 1.00 60.19 ? 1801 HOH A O 1 HETATM 7113 O O . HOH R 9 . ? -39.756 7.442 -36.345 1.00 43.74 ? 1802 HOH A O 1 HETATM 7114 O O . HOH R 9 . ? -6.177 -27.414 -17.871 1.00 57.97 ? 1803 HOH A O 1 HETATM 7115 O O . HOH R 9 . ? -41.548 -2.116 -37.641 1.00 36.86 ? 1804 HOH A O 1 HETATM 7116 O O . HOH R 9 . ? -15.297 11.820 -23.102 1.00 38.91 ? 1805 HOH A O 1 HETATM 7117 O O . HOH R 9 . ? -46.930 7.970 -46.290 1.00 58.44 ? 1806 HOH A O 1 HETATM 7118 O O . HOH R 9 . ? -46.178 23.390 -16.771 1.00 51.39 ? 1807 HOH A O 1 HETATM 7119 O O . HOH R 9 . ? -3.920 1.489 0.220 1.00 61.28 ? 1808 HOH A O 1 HETATM 7120 O O . HOH R 9 . ? -9.969 -16.667 -43.173 1.00 45.79 ? 1809 HOH A O 1 HETATM 7121 O O . HOH R 9 . ? -19.800 27.675 10.074 1.00 59.80 ? 1810 HOH A O 1 HETATM 7122 O O . HOH R 9 . ? -13.017 20.169 -20.950 1.00 41.87 ? 1811 HOH A O 1 HETATM 7123 O O . HOH R 9 . ? -19.896 29.519 -12.498 1.00 38.94 ? 1812 HOH A O 1 HETATM 7124 O O . HOH R 9 . ? -36.722 -31.383 -28.330 1.00 55.31 ? 1813 HOH A O 1 HETATM 7125 O O . HOH R 9 . ? -47.886 23.046 -14.601 1.00 52.37 ? 1814 HOH A O 1 HETATM 7126 O O . HOH R 9 . ? -20.361 -23.862 -12.659 1.00 49.11 ? 1815 HOH A O 1 HETATM 7127 O O . HOH R 9 . ? -6.853 3.557 -59.255 1.00 45.76 ? 1816 HOH A O 1 HETATM 7128 O O . HOH R 9 . ? 0.650 -18.311 -33.343 1.00 48.30 ? 1817 HOH A O 1 HETATM 7129 O O . HOH R 9 . ? -39.275 37.384 -8.973 1.00 49.36 ? 1818 HOH A O 1 HETATM 7130 O O . HOH R 9 . ? -44.583 2.108 -40.386 1.00 44.51 ? 1819 HOH A O 1 HETATM 7131 O O . HOH R 9 . ? -49.432 11.519 8.585 1.00 45.60 ? 1820 HOH A O 1 HETATM 7132 O O . HOH R 9 . ? -33.533 24.562 -37.551 1.00 53.16 ? 1821 HOH A O 1 HETATM 7133 O O . HOH R 9 . ? -43.214 12.950 -51.369 1.00 57.52 ? 1822 HOH A O 1 HETATM 7134 O O . HOH R 9 . ? -12.843 19.088 -43.356 1.00 48.82 ? 1823 HOH A O 1 HETATM 7135 O O . HOH R 9 . ? -22.329 -20.195 -8.234 1.00 46.50 ? 1824 HOH A O 1 HETATM 7136 O O . HOH R 9 . ? -49.851 7.044 -0.198 1.00 47.70 ? 1825 HOH A O 1 HETATM 7137 O O . HOH R 9 . ? -35.671 21.546 -50.206 1.00 53.80 ? 1826 HOH A O 1 HETATM 7138 O O . HOH R 9 . ? -37.707 -24.561 -17.639 1.00 42.00 ? 1827 HOH A O 1 HETATM 7139 O O . HOH R 9 . ? -44.303 4.788 12.474 1.00 52.59 ? 1828 HOH A O 1 HETATM 7140 O O . HOH R 9 . ? -47.865 10.121 15.265 1.00 40.54 ? 1829 HOH A O 1 HETATM 7141 O O . HOH R 9 . ? -43.910 8.022 9.354 1.00 48.07 ? 1830 HOH A O 1 HETATM 7142 O O . HOH R 9 . ? -11.724 -16.504 -41.796 1.00 42.48 ? 1831 HOH A O 1 HETATM 7143 O O . HOH R 9 . ? -30.291 19.017 -17.523 1.00 30.74 ? 1832 HOH A O 1 HETATM 7144 O O . HOH R 9 . ? -30.384 -14.880 -14.283 1.00 43.78 ? 1833 HOH A O 1 HETATM 7145 O O . HOH R 9 . ? -38.789 9.120 -68.298 1.00 63.94 ? 1834 HOH A O 1 HETATM 7146 O O . HOH R 9 . ? -15.846 -24.636 -5.998 1.00 74.60 ? 1835 HOH A O 1 HETATM 7147 O O . HOH R 9 . ? -34.386 17.623 13.209 1.00 44.40 ? 1836 HOH A O 1 HETATM 7148 O O . HOH R 9 . ? -39.205 7.819 -24.640 1.00 48.26 ? 1837 HOH A O 1 HETATM 7149 O O . HOH R 9 . ? -27.382 30.216 14.807 1.00 52.26 ? 1838 HOH A O 1 HETATM 7150 O O . HOH R 9 . ? -53.748 18.015 -26.495 1.00 57.85 ? 1839 HOH A O 1 HETATM 7151 O O . HOH R 9 . ? -17.353 -22.344 -6.870 1.00 61.08 ? 1840 HOH A O 1 HETATM 7152 O O . HOH R 9 . ? 2.745 -14.116 -25.874 1.00 48.68 ? 1841 HOH A O 1 HETATM 7153 O O . HOH R 9 . ? -24.368 -15.067 -61.616 1.00 53.21 ? 1842 HOH A O 1 HETATM 7154 O O . HOH R 9 . ? -41.013 12.623 -42.177 1.00 42.18 ? 1843 HOH A O 1 HETATM 7155 O O . HOH R 9 . ? -28.959 32.949 -2.798 1.00 57.17 ? 1844 HOH A O 1 HETATM 7156 O O . HOH R 9 . ? -1.515 0.656 -37.310 1.00 45.81 ? 1845 HOH A O 1 HETATM 7157 O O . HOH R 9 . ? -3.575 8.776 -56.806 1.00 53.42 ? 1846 HOH A O 1 HETATM 7158 O O . HOH R 9 . ? -24.720 30.473 -30.212 1.00 45.64 ? 1847 HOH A O 1 HETATM 7159 O O . HOH R 9 . ? -26.042 -10.647 -5.372 1.00 54.24 ? 1848 HOH A O 1 HETATM 7160 O O . HOH R 9 . ? -46.202 1.702 -44.406 1.00 39.79 ? 1849 HOH A O 1 HETATM 7161 O O . HOH R 9 . ? -43.940 -7.868 -32.538 1.00 64.52 ? 1850 HOH A O 1 HETATM 7162 O O . HOH R 9 . ? -43.892 -0.876 -37.927 1.00 39.08 ? 1851 HOH A O 1 HETATM 7163 O O . HOH R 9 . ? -1.817 -5.085 -35.939 1.00 44.69 ? 1852 HOH A O 1 HETATM 7164 O O . HOH R 9 . ? -46.886 9.011 9.885 1.00 49.35 ? 1853 HOH A O 1 HETATM 7165 O O . HOH R 9 . ? -40.189 -1.651 12.957 1.00 60.45 ? 1854 HOH A O 1 HETATM 7166 O O . HOH R 9 . ? -41.384 -8.110 -33.912 1.00 58.95 ? 1855 HOH A O 1 HETATM 7167 O O . HOH R 9 . ? -37.301 -18.724 -55.111 1.00 54.73 ? 1856 HOH A O 1 HETATM 7168 O O . HOH R 9 . ? -20.056 23.933 -51.943 1.00 65.58 ? 1857 HOH A O 1 HETATM 7169 O O . HOH R 9 . ? -43.194 5.138 16.193 1.00 45.16 ? 1858 HOH A O 1 HETATM 7170 O O . HOH R 9 . ? -0.083 -16.256 -48.111 1.00 54.66 ? 1859 HOH A O 1 HETATM 7171 O O . HOH R 9 . ? -30.165 5.765 11.908 1.00 54.04 ? 1860 HOH A O 1 HETATM 7172 O O . HOH R 9 . ? -22.204 26.026 -33.894 1.00 48.46 ? 1861 HOH A O 1 HETATM 7173 O O . HOH R 9 . ? -1.184 -22.923 -31.242 1.00 60.04 ? 1862 HOH A O 1 HETATM 7174 O O . HOH R 9 . ? -4.310 0.998 -60.260 1.00 65.68 ? 1863 HOH A O 1 HETATM 7175 O O . HOH R 9 . ? -8.559 27.307 -58.980 1.00 61.85 ? 1864 HOH A O 1 HETATM 7176 O O . HOH R 9 . ? -26.955 -9.052 -8.380 1.00 52.82 ? 1865 HOH A O 1 HETATM 7177 O O . HOH R 9 . ? -16.795 26.375 -33.320 1.00 55.86 ? 1866 HOH A O 1 HETATM 7178 O O . HOH R 9 . ? -44.393 -4.005 -35.472 1.00 47.26 ? 1867 HOH A O 1 HETATM 7179 O O . HOH R 9 . ? -12.875 10.612 -33.583 1.00 42.97 ? 1868 HOH A O 1 HETATM 7180 O O . HOH R 9 . ? -15.451 14.396 -28.468 1.00 49.45 ? 1869 HOH A O 1 HETATM 7181 O O . HOH R 9 . ? -39.679 2.320 16.475 1.00 49.89 ? 1870 HOH A O 1 HETATM 7182 O O . HOH R 9 . ? -15.123 19.701 -4.099 1.00 57.69 ? 1871 HOH A O 1 HETATM 7183 O O . HOH R 9 . ? -36.013 -5.284 -63.674 1.00 49.59 ? 1872 HOH A O 1 HETATM 7184 O O . HOH R 9 . ? -8.436 15.094 -33.183 1.00 71.18 ? 1873 HOH A O 1 HETATM 7185 O O . HOH R 9 . ? -20.167 -13.007 -84.595 1.00 53.88 ? 1874 HOH A O 1 HETATM 7186 O O . HOH R 9 . ? -14.524 -12.432 -64.638 1.00 60.05 ? 1875 HOH A O 1 HETATM 7187 O O . HOH R 9 . ? -47.254 -9.941 -32.972 1.00 70.19 ? 1876 HOH A O 1 HETATM 7188 O O . HOH R 9 . ? -51.264 20.889 -15.068 1.00 52.45 ? 1877 HOH A O 1 HETATM 7189 O O . HOH R 9 . ? -45.905 0.981 -35.865 1.00 51.15 ? 1878 HOH A O 1 HETATM 7190 O O . HOH R 9 . ? -4.724 4.478 -1.516 1.00 68.33 ? 1879 HOH A O 1 HETATM 7191 O O . HOH R 9 . ? -31.864 35.415 -0.523 1.00 45.56 ? 1880 HOH A O 1 HETATM 7192 O O . HOH R 9 . ? -23.546 25.277 -59.483 1.00 66.28 ? 1881 HOH A O 1 HETATM 7193 O O . HOH R 9 . ? -51.899 8.820 -12.894 1.00 59.76 ? 1882 HOH A O 1 HETATM 7194 O O . HOH R 9 . ? -7.699 15.934 -35.764 1.00 57.25 ? 1883 HOH A O 1 HETATM 7195 O O . HOH R 9 . ? -5.148 8.788 -58.923 1.00 51.74 ? 1884 HOH A O 1 HETATM 7196 O O . HOH R 9 . ? -33.352 27.949 -37.420 1.00 52.90 ? 1885 HOH A O 1 HETATM 7197 O O . HOH R 9 . ? -12.019 16.914 1.530 1.00 60.38 ? 1886 HOH A O 1 HETATM 7198 O O . HOH R 9 . ? -0.654 -22.129 -46.375 1.00 61.34 ? 1887 HOH A O 1 HETATM 7199 O O . HOH R 9 . ? -47.249 7.204 14.021 1.00 52.17 ? 1888 HOH A O 1 HETATM 7200 O O . HOH R 9 . ? -12.747 -16.908 -65.228 1.00 61.61 ? 1889 HOH A O 1 HETATM 7201 O O . HOH R 9 . ? -11.021 19.993 0.916 1.00 71.77 ? 1890 HOH A O 1 HETATM 7202 O O . HOH R 9 . ? -0.939 -15.396 -53.247 1.00 49.09 ? 1891 HOH A O 1 HETATM 7203 O O . HOH R 9 . ? -12.490 16.999 5.115 1.00 64.79 ? 1892 HOH A O 1 HETATM 7204 O O . HOH R 9 . ? -52.230 13.811 5.464 1.00 54.68 ? 1893 HOH A O 1 HETATM 7205 O O . HOH R 9 . ? -9.209 21.813 2.555 1.00 64.58 ? 1894 HOH A O 1 HETATM 7206 O O . HOH R 9 . ? -43.827 -10.144 -34.156 1.00 59.63 ? 1895 HOH A O 1 HETATM 7207 O O . HOH R 9 . ? -39.332 -20.379 -56.638 1.00 60.43 ? 1896 HOH A O 1 HETATM 7208 O O . HOH R 9 . ? -54.428 14.772 -14.632 1.00 72.31 ? 1897 HOH A O 1 HETATM 7209 O O . HOH R 9 . ? -3.836 17.515 -45.330 1.00 50.28 ? 1898 HOH A O 1 HETATM 7210 O O . HOH R 9 . ? -22.499 -27.914 -9.850 1.00 53.91 ? 1899 HOH A O 1 HETATM 7211 O O . HOH R 9 . ? -52.930 13.327 8.430 1.00 60.75 ? 1900 HOH A O 1 HETATM 7212 O O . HOH R 9 . ? -24.473 32.783 17.074 1.00 73.34 ? 1901 HOH A O 1 HETATM 7213 O O . HOH R 9 . ? -0.635 -22.501 -51.272 1.00 61.26 ? 1902 HOH A O 1 HETATM 7214 O O . HOH R 9 . ? -55.645 18.397 -16.933 1.00 64.39 ? 1903 HOH A O 1 HETATM 7215 O O . HOH R 9 . ? -5.553 -34.619 -8.647 1.00 59.46 ? 1904 HOH A O 1 HETATM 7216 O O . HOH R 9 . ? -1.218 8.068 -4.138 1.00 68.11 ? 1905 HOH A O 1 # loop_ _atom_site_anisotrop.id _atom_site_anisotrop.type_symbol _atom_site_anisotrop.pdbx_label_atom_id _atom_site_anisotrop.pdbx_label_alt_id _atom_site_anisotrop.pdbx_label_comp_id _atom_site_anisotrop.pdbx_label_asym_id _atom_site_anisotrop.pdbx_label_seq_id _atom_site_anisotrop.pdbx_PDB_ins_code _atom_site_anisotrop.U[1][1] _atom_site_anisotrop.U[2][2] _atom_site_anisotrop.U[3][3] _atom_site_anisotrop.U[1][2] _atom_site_anisotrop.U[1][3] _atom_site_anisotrop.U[2][3] _atom_site_anisotrop.pdbx_auth_seq_id _atom_site_anisotrop.pdbx_auth_comp_id _atom_site_anisotrop.pdbx_auth_asym_id _atom_site_anisotrop.pdbx_auth_atom_id 1 N N . TYR A 42 ? 1.4143 2.3751 0.9210 -0.3525 0.2518 -0.2316 65 TYR A N 2 C CA . TYR A 42 ? 1.3598 2.2908 0.8912 -0.3403 0.2360 -0.2125 65 TYR A CA 3 C C . TYR A 42 ? 1.3119 2.2094 0.8423 -0.3263 0.2198 -0.2127 65 TYR A C 4 O O . TYR A 42 ? 1.2635 2.1358 0.7837 -0.3302 0.2024 -0.1865 65 TYR A O 5 C CB . TYR A 42 ? 1.3441 2.2682 0.8619 -0.3586 0.2267 -0.1760 65 TYR A CB 6 C CG . TYR A 42 ? 1.3654 2.2838 0.8380 -0.3800 0.2177 -0.1536 65 TYR A CG 7 C CD1 . TYR A 42 ? 1.4131 2.3587 0.8533 -0.4004 0.2297 -0.1568 65 TYR A CD1 8 C CD2 . TYR A 42 ? 1.3468 2.2326 0.8097 -0.3797 0.1968 -0.1281 65 TYR A CD2 9 C CE1 . TYR A 42 ? 1.4510 2.3899 0.8492 -0.4195 0.2201 -0.1346 65 TYR A CE1 10 C CE2 . TYR A 42 ? 1.3850 2.2642 0.8085 -0.3976 0.1868 -0.1063 65 TYR A CE2 11 C CZ . TYR A 42 ? 1.4317 2.3369 0.8222 -0.4174 0.1980 -0.1091 65 TYR A CZ 12 O OH . TYR A 42 ? 1.4867 2.3845 0.8368 -0.4347 0.1870 -0.0863 65 TYR A OH 13 N N . GLN A 43 ? 1.2869 2.1834 0.8287 -0.3097 0.2256 -0.2427 66 GLN A N 14 C CA . GLN A 43 ? 1.2951 2.1590 0.8389 -0.2958 0.2110 -0.2443 66 GLN A CA 15 C C . GLN A 43 ? 1.2773 2.1153 0.8517 -0.2809 0.1989 -0.2297 66 GLN A C 16 O O . GLN A 43 ? 1.2595 2.0689 0.8295 -0.2768 0.1825 -0.2161 66 GLN A O 17 C CB . GLN A 43 ? 1.3189 2.1837 0.8704 -0.2804 0.2199 -0.2799 66 GLN A CB 18 C CG . GLN A 43 ? 1.3368 2.1762 0.8681 -0.2786 0.2066 -0.2813 66 GLN A CG 19 C CD . GLN A 43 ? 1.3485 2.1777 0.8937 -0.2596 0.2118 -0.3140 66 GLN A CD 20 O OE1 . GLN A 43 ? 1.3547 2.1880 0.9310 -0.2429 0.2221 -0.3329 66 GLN A OE1 21 N NE2 . GLN A 43 ? 1.3584 2.1733 0.8806 -0.2621 0.2041 -0.3205 66 GLN A NE2 22 N N . ASP A 44 ? 1.2725 2.1209 0.8777 -0.2730 0.2064 -0.2319 67 ASP A N 23 C CA . ASP A 44 ? 1.2255 2.0488 0.8608 -0.2561 0.1956 -0.2228 67 ASP A CA 24 C C . ASP A 44 ? 1.1663 1.9685 0.7904 -0.2661 0.1785 -0.1883 67 ASP A C 25 O O . ASP A 44 ? 1.2129 1.9859 0.8453 -0.2549 0.1647 -0.1805 67 ASP A O 26 C CB . ASP A 44 ? 1.2436 2.0824 0.9140 -0.2456 0.2057 -0.2313 67 ASP A CB 27 C CG . ASP A 44 ? 1.2433 2.0561 0.9462 -0.2224 0.1968 -0.2328 67 ASP A CG 28 O OD1 . ASP A 44 ? 1.2046 1.9876 0.9025 -0.2188 0.1815 -0.2186 67 ASP A OD1 29 O OD2 . ASP A 44 ? 1.2609 2.0832 0.9944 -0.2073 0.2049 -0.2483 67 ASP A OD2 30 N N . ILE A 45 ? 1.2324 2.0474 0.8374 -0.2870 0.1790 -0.1672 68 ILE A N 31 C CA . ILE A 45 ? 1.1463 1.9378 0.7439 -0.2941 0.1621 -0.1346 68 ILE A CA 32 C C . ILE A 45 ? 1.1580 1.9315 0.7258 -0.3000 0.1486 -0.1248 68 ILE A C 33 O O . ILE A 45 ? 1.1408 1.8896 0.7054 -0.3009 0.1322 -0.1006 68 ILE A O 34 C CB . ILE A 45 ? 1.1694 1.9761 0.7614 -0.3124 0.1663 -0.1143 68 ILE A CB 35 C CG1 . ILE A 45 ? 1.1457 1.9267 0.7281 -0.3209 0.1489 -0.0795 68 ILE A CG1 36 C CG2 . ILE A 45 ? 1.2390 2.0765 0.8043 -0.3311 0.1803 -0.1214 68 ILE A CG2 37 C CD1 . ILE A 45 ? 1.1016 1.8874 0.6947 -0.3302 0.1511 -0.0616 68 ILE A CD1 38 N N . CYS A 46 ? 1.1602 1.9443 0.7085 -0.3020 0.1545 -0.1448 69 CYS A N 39 C CA . CYS A 46 ? 1.2040 1.9685 0.7321 -0.3014 0.1412 -0.1425 69 CYS A CA 40 C C . CYS A 46 ? 1.2681 2.0257 0.8083 -0.2836 0.1448 -0.1729 69 CYS A C 41 O O . CYS A 46 ? 1.2263 1.9770 0.7454 -0.2858 0.1392 -0.1799 69 CYS A O 42 C CB . CYS A 46 ? 1.2436 2.0208 0.7297 -0.3226 0.1401 -0.1338 69 CYS A CB 43 S SG . CYS A 46 ? 1.2508 1.9983 0.7148 -0.3249 0.1156 -0.1122 69 CYS A SG 44 N N . VAL A 47 ? 1.2190 1.9780 0.7924 -0.2663 0.1541 -0.1914 70 VAL A N 45 C CA . VAL A 47 ? 1.2500 1.9866 0.8434 -0.2452 0.1503 -0.2092 70 VAL A CA 46 C C . VAL A 47 ? 1.1936 1.9045 0.8111 -0.2336 0.1378 -0.1916 70 VAL A C 47 O O . VAL A 47 ? 1.1586 1.8468 0.7925 -0.2167 0.1324 -0.2015 70 VAL A O 48 C CB . VAL A 47 ? 1.2602 2.0104 0.8749 -0.2307 0.1671 -0.2421 70 VAL A CB 49 C CG1 . VAL A 47 ? 1.2188 1.9750 0.8673 -0.2197 0.1731 -0.2416 70 VAL A CG1 50 C CG2 . VAL A 47 ? 1.2632 1.9906 0.8854 -0.2136 0.1644 -0.2642 70 VAL A CG2 51 N N . LEU A 48 ? 1.1873 1.9008 0.8069 -0.2426 0.1335 -0.1662 71 LEU A N 52 C CA . LEU A 48 ? 1.1307 1.8204 0.7713 -0.2333 0.1214 -0.1479 71 LEU A CA 53 C C . LEU A 48 ? 1.1211 1.7819 0.7534 -0.2305 0.1040 -0.1353 71 LEU A C 54 O O . LEU A 48 ? 1.1613 1.8020 0.8132 -0.2136 0.0996 -0.1438 71 LEU A O 55 C CB . LEU A 48 ? 1.1051 1.8032 0.7486 -0.2449 0.1208 -0.1237 71 LEU A CB 56 C CG . LEU A 48 ? 1.0762 1.7848 0.7484 -0.2384 0.1290 -0.1258 71 LEU A CG 57 C CD1 . LEU A 48 ? 1.0579 1.7867 0.7479 -0.2267 0.1453 -0.1567 71 LEU A CD1 58 C CD2 . LEU A 48 ? 1.0908 1.8125 0.7553 -0.2565 0.1304 -0.1040 71 LEU A CD2 59 N N . PRO A 49 ? 1.0998 1.7583 0.7034 -0.2459 0.0942 -0.1176 72 PRO A N 60 C CA . PRO A 49 ? 1.0658 1.7009 0.6581 -0.2438 0.0782 -0.1108 72 PRO A CA 61 C C . PRO A 49 ? 1.0454 1.6636 0.6537 -0.2260 0.0774 -0.1325 72 PRO A C 62 O O . PRO A 49 ? 1.0821 1.6758 0.7003 -0.2181 0.0642 -0.1221 72 PRO A O 63 C CB . PRO A 49 ? 1.1522 1.8022 0.7096 -0.2611 0.0780 -0.1087 72 PRO A CB 64 C CG . PRO A 49 ? 1.1813 1.8549 0.7298 -0.2759 0.0879 -0.0985 72 PRO A CG 65 C CD . PRO A 49 ? 1.1474 1.8235 0.7259 -0.2673 0.0955 -0.0991 72 PRO A CD 66 N N . THR A 50 ? 1.0508 1.6790 0.6585 -0.2210 0.0892 -0.1606 73 THR A N 67 C CA . THR A 50 ? 1.0763 1.6851 0.6965 -0.2053 0.0877 -0.1807 73 THR A CA 68 C C . THR A 50 ? 1.1188 1.7121 0.7730 -0.1870 0.0885 -0.1827 73 THR A C 69 O O . THR A 50 ? 1.1095 1.6802 0.7751 -0.1736 0.0841 -0.1939 73 THR A O 70 C CB . THR A 50 ? 1.1324 1.7523 0.7455 -0.2025 0.1007 -0.2130 73 THR A CB 71 O OG1 . THR A 50 ? 1.1204 1.7166 0.7367 -0.1922 0.0946 -0.2275 73 THR A OG1 72 C CG2 . THR A 50 ? 1.1366 1.7703 0.7725 -0.1916 0.1172 -0.2315 73 THR A CG2 73 N N . GLN A 51 ? 1.0660 1.6696 0.7359 -0.1864 0.0931 -0.1716 74 GLN A N 74 C CA . GLN A 51 ? 1.0465 1.6366 0.7472 -0.1697 0.0929 -0.1719 74 GLN A CA 75 C C . GLN A 51 ? 1.0111 1.5984 0.7212 -0.1737 0.0857 -0.1443 74 GLN A C 76 O O . GLN A 51 ? 0.9365 1.5130 0.6713 -0.1603 0.0848 -0.1434 74 GLN A O 77 C CB . GLN A 51 ? 1.0914 1.6965 0.8116 -0.1579 0.1088 -0.1961 74 GLN A CB 78 C CG . GLN A 51 ? 1.1787 1.8177 0.8922 -0.1700 0.1218 -0.1990 74 GLN A CG 79 C CD . GLN A 51 ? 1.2372 1.8907 0.9723 -0.1563 0.1369 -0.2251 74 GLN A CD 80 O OE1 . GLN A 51 ? 1.2683 1.9065 1.0163 -0.1394 0.1387 -0.2449 74 GLN A OE1 81 N NE2 . GLN A 51 ? 1.2348 1.9170 0.9744 -0.1635 0.1476 -0.2249 74 GLN A NE2 82 N N . SER A 52 ? 1.0046 1.5993 0.6956 -0.1912 0.0800 -0.1217 75 SER A N 83 C CA . SER A 52 ? 0.9245 1.5148 0.6238 -0.1959 0.0734 -0.0955 75 SER A CA 84 C C . SER A 52 ? 0.8443 1.4173 0.5272 -0.2052 0.0568 -0.0701 75 SER A C 85 O O . SER A 52 ? 0.9521 1.5262 0.6110 -0.2142 0.0521 -0.0692 75 SER A O 86 C CB . SER A 52 ? 0.9509 1.5671 0.6466 -0.2090 0.0833 -0.0896 75 SER A CB 87 O OG . SER A 52 ? 0.9195 1.5276 0.6156 -0.2176 0.0743 -0.0612 75 SER A OG 88 N N . TRP A 53 ? 0.8335 1.3912 0.5297 -0.2029 0.0478 -0.0490 76 TRP A N 89 C CA . TRP A 53 ? 0.6512 1.1890 0.3383 -0.2082 0.0311 -0.0242 76 TRP A CA 90 C C . TRP A 53 ? 0.7421 1.2838 0.4193 -0.2235 0.0272 0.0019 76 TRP A C 91 O O . TRP A 53 ? 0.6863 1.2085 0.3649 -0.2247 0.0137 0.0246 76 TRP A O 92 C CB . TRP A 53 ? 0.6368 1.1494 0.3464 -0.1932 0.0221 -0.0196 76 TRP A CB 93 C CG . TRP A 53 ? 0.6628 1.1602 0.3702 -0.1845 0.0153 -0.0310 76 TRP A CG 94 C CD1 . TRP A 53 ? 0.6935 1.1779 0.3876 -0.1887 0.0011 -0.0194 76 TRP A CD1 95 C CD2 . TRP A 53 ? 0.6688 1.1619 0.3878 -0.1705 0.0217 -0.0565 76 TRP A CD2 96 N NE1 . TRP A 53 ? 0.6985 1.1721 0.3953 -0.1792 -0.0013 -0.0367 76 TRP A NE1 97 C CE2 . TRP A 53 ? 0.7509 1.2281 0.4621 -0.1682 0.0113 -0.0594 76 TRP A CE2 98 C CE3 . TRP A 53 ? 0.6368 1.1370 0.3726 -0.1591 0.0347 -0.0772 76 TRP A CE3 99 C CZ2 . TRP A 53 ? 0.7336 1.2005 0.4521 -0.1565 0.0140 -0.0822 76 TRP A CZ2 100 C CZ3 . TRP A 53 ? 0.6065 1.0953 0.3497 -0.1461 0.0371 -0.0993 76 TRP A CZ3 101 C CH2 . TRP A 53 ? 0.6979 1.1695 0.4318 -0.1455 0.0271 -0.1016 76 TRP A CH2 102 N N . SER A 54 ? 0.8012 1.3666 0.4685 -0.2354 0.0388 -0.0010 77 SER A N 103 C CA . SER A 54 ? 0.9103 1.4791 0.5693 -0.2505 0.0369 0.0226 77 SER A CA 104 C C . SER A 54 ? 0.8931 1.4816 0.5213 -0.2683 0.0419 0.0239 77 SER A C 105 O O . SER A 54 ? 0.9347 1.5430 0.5543 -0.2689 0.0532 0.0015 77 SER A O 106 C CB . SER A 54 ? 0.9269 1.5052 0.6084 -0.2482 0.0468 0.0201 77 SER A CB 107 O OG . SER A 54 ? 0.9710 1.5388 0.6529 -0.2578 0.0398 0.0463 77 SER A OG 108 N N . CYS A 55 ? 0.8952 1.4778 0.5069 -0.2828 0.0338 0.0502 78 CYS A N 109 C CA . CYS A 55 ? 0.9441 1.5372 0.5214 -0.2998 0.0324 0.0583 78 CYS A CA 110 C C . CYS A 55 ? 1.0248 1.6451 0.5898 -0.3153 0.0480 0.0546 78 CYS A C 111 O O . CYS A 55 ? 1.0783 1.6991 0.6214 -0.3317 0.0446 0.0753 78 CYS A O 112 C CB . CYS A 55 ? 0.9717 1.5419 0.5364 -0.3068 0.0145 0.0901 78 CYS A CB 113 S SG . CYS A 55 ? 0.9624 1.5191 0.5080 -0.3044 -0.0022 0.0956 78 CYS A SG 114 N N . ASN A 56 ? 0.9982 1.6410 0.5758 -0.3100 0.0648 0.0281 79 ASN A N 115 C CA . ASN A 56 ? 1.0365 1.7044 0.6139 -0.3215 0.0804 0.0241 79 ASN A CA 116 C C . ASN A 56 ? 1.0726 1.7516 0.6154 -0.3444 0.0816 0.0400 79 ASN A C 117 O O . ASN A 56 ? 1.0433 1.7195 0.5582 -0.3513 0.0744 0.0457 79 ASN A O 118 C CB . ASN A 56 ? 1.0595 1.7527 0.6503 -0.3124 0.0978 -0.0099 79 ASN A CB 119 C CG . ASN A 56 ? 1.1904 1.9020 0.7549 -0.3188 0.1051 -0.0272 79 ASN A CG 120 O OD1 . ASN A 56 ? 1.2513 1.9723 0.7847 -0.3369 0.1054 -0.0163 79 ASN A OD1 121 N ND2 . ASN A 56 ? 1.1962 1.9117 0.7728 -0.3036 0.1110 -0.0549 79 ASN A ND2 122 N N . LYS A 57 ? 1.0922 1.7853 0.6370 -0.3563 0.0915 0.0462 80 LYS A N 123 C CA . LYS A 57 ? 1.1785 1.8779 0.6929 -0.3791 0.0924 0.0664 80 LYS A CA 124 C C . LYS A 57 ? 1.1625 1.8804 0.6427 -0.3900 0.0974 0.0576 80 LYS A C 125 O O . LYS A 57 ? 1.1981 1.9094 0.6468 -0.4048 0.0891 0.0788 80 LYS A O 126 C CB . LYS A 57 ? 1.2472 1.9658 0.7729 -0.3887 0.1072 0.0651 80 LYS A CB 127 C CG . LYS A 57 ? 1.2204 1.9336 0.7854 -0.3737 0.1090 0.0577 80 LYS A CG 128 C CD . LYS A 57 ? 1.2487 1.9925 0.8308 -0.3770 0.1282 0.0403 80 LYS A CD 129 C CE . LYS A 57 ? 1.2411 2.0117 0.8289 -0.3681 0.1420 0.0081 80 LYS A CE 130 N NZ . LYS A 57 ? 1.2216 2.0172 0.8377 -0.3627 0.1576 -0.0116 80 LYS A NZ 131 N N . LEU A 58 ? 1.1814 1.9221 0.6666 -0.3827 0.1106 0.0266 81 LEU A N 132 C CA . LEU A 58 ? 1.1443 1.9055 0.5965 -0.3945 0.1176 0.0162 81 LEU A CA 133 C C . LEU A 58 ? 1.1568 1.9006 0.5895 -0.3905 0.1020 0.0203 81 LEU A C 134 O O . LEU A 58 ? 1.1483 1.9003 0.5454 -0.4046 0.1005 0.0254 81 LEU A O 135 C CB . LEU A 58 ? 1.1582 1.9490 0.6230 -0.3878 0.1374 -0.0195 81 LEU A CB 136 C CG . LEU A 58 ? 1.2138 2.0360 0.6746 -0.4030 0.1563 -0.0246 81 LEU A CG 137 C CD1 . LEU A 58 ? 1.2191 2.0331 0.6865 -0.4134 0.1534 0.0018 81 LEU A CD1 138 C CD2 . LEU A 58 ? 1.1800 2.0235 0.6709 -0.3885 0.1725 -0.0574 81 LEU A CD2 139 N N . ARG A 59 ? 1.1151 1.8353 0.5695 -0.3720 0.0900 0.0185 82 ARG A N 140 C CA . ARG A 59 ? 1.1145 1.8202 0.5542 -0.3666 0.0762 0.0179 82 ARG A CA 141 C C . ARG A 59 ? 1.0889 1.7695 0.5130 -0.3726 0.0554 0.0513 82 ARG A C 142 O O . ARG A 59 ? 1.0998 1.7651 0.5178 -0.3657 0.0412 0.0535 82 ARG A O 143 C CB . ARG A 59 ? 1.0893 1.7825 0.5590 -0.3440 0.0741 -0.0021 82 ARG A CB 144 C CG . ARG A 59 ? 1.0342 1.7060 0.5379 -0.3309 0.0675 0.0087 82 ARG A CG 145 C CD . ARG A 59 ? 1.0299 1.6892 0.5590 -0.3096 0.0656 -0.0112 82 ARG A CD 146 N NE . ARG A 59 ? 1.0671 1.6978 0.5978 -0.3029 0.0460 0.0057 82 ARG A NE 147 C CZ . ARG A 59 ? 1.0555 1.6730 0.5958 -0.2888 0.0401 -0.0078 82 ARG A CZ 148 N NH1 . ARG A 59 ? 1.0725 1.6661 0.6155 -0.2836 0.0228 0.0083 82 ARG A NH1 149 N NH2 . ARG A 59 ? 1.0093 1.6361 0.5574 -0.2795 0.0509 -0.0372 82 ARG A NH2 150 N N . CYS A 60 ? 1.0821 1.7574 0.5000 -0.3848 0.0527 0.0771 83 CYS A N 151 C CA . CYS A 60 ? 1.1006 1.7510 0.5027 -0.3897 0.0325 0.1087 83 CYS A CA 152 C C . CYS A 60 ? 1.1617 1.8216 0.5217 -0.4034 0.0277 0.1135 83 CYS A C 153 O O . CYS A 60 ? 1.2108 1.8874 0.5441 -0.4218 0.0360 0.1203 83 CYS A O 154 C CB . CYS A 60 ? 1.1054 1.7455 0.5118 -0.3993 0.0314 0.1343 83 CYS A CB 155 S SG . CYS A 60 ? 1.1191 1.7486 0.5735 -0.3830 0.0359 0.1275 83 CYS A SG 156 N N . GLY A 61 ? 1.1615 1.8123 0.5144 -0.3952 0.0148 0.1092 84 GLY A N 157 C CA . GLY A 61 ? 1.2174 1.8781 0.5314 -0.4063 0.0092 0.1106 84 GLY A CA 158 C C . GLY A 61 ? 1.2188 1.8970 0.5285 -0.4009 0.0175 0.0775 84 GLY A C 159 O O . GLY A 61 ? 1.2637 1.9497 0.5416 -0.4088 0.0118 0.0758 84 GLY A O 160 N N . GLU A 62 ? 1.1718 1.8543 0.5129 -0.3868 0.0295 0.0517 85 GLU A N 161 C CA . GLU A 62 ? 1.1754 1.8769 0.5155 -0.3823 0.0428 0.0168 85 GLU A CA 162 C C . GLU A 62 ? 1.1938 1.8892 0.5159 -0.3793 0.0299 0.0097 85 GLU A C 163 O O . GLU A 62 ? 1.1973 1.8737 0.5121 -0.3783 0.0098 0.0308 85 GLU A O 164 C CB . GLU A 62 ? 1.1160 1.8141 0.4975 -0.3638 0.0528 -0.0046 85 GLU A CB 165 C CG . GLU A 62 ? 1.0773 1.7451 0.4863 -0.3484 0.0371 0.0089 85 GLU A CG 166 C CD . GLU A 62 ? 1.0479 1.7101 0.4931 -0.3289 0.0445 -0.0145 85 GLU A CD 167 O OE1 . GLU A 62 ? 1.0968 1.7781 0.5486 -0.3262 0.0620 -0.0409 85 GLU A OE1 168 O OE2 . GLU A 62 ? 1.0027 1.6411 0.4700 -0.3160 0.0328 -0.0061 85 GLU A OE2 169 N N . LYS A 63 ? 1.2064 1.9184 0.5230 -0.3773 0.0416 -0.0218 86 LYS A N 170 C CA . LYS A 63 ? 1.2278 1.9370 0.5267 -0.3757 0.0316 -0.0335 86 LYS A CA 171 C C . LYS A 63 ? 1.1770 1.8690 0.5078 -0.3555 0.0286 -0.0524 86 LYS A C 172 O O . LYS A 63 ? 1.1486 1.8454 0.5035 -0.3452 0.0439 -0.0762 86 LYS A O 173 C CB . LYS A 63 ? 1.2820 2.0189 0.5507 -0.3878 0.0455 -0.0563 86 LYS A CB 174 C CG . LYS A 63 ? 1.3450 2.0893 0.5691 -0.4056 0.0346 -0.0391 86 LYS A CG 175 C CD . LYS A 63 ? 1.3392 2.0607 0.5601 -0.4000 0.0092 -0.0224 86 LYS A CD 176 C CE . LYS A 63 ? 1.3993 2.1254 0.5788 -0.4169 -0.0039 0.0027 86 LYS A CE 177 N NZ . LYS A 63 ? 1.4021 2.1099 0.5759 -0.4118 -0.0293 0.0171 86 LYS A NZ 178 N N . ARG A 64 ? 1.1719 1.8442 0.5025 -0.3499 0.0086 -0.0418 87 ARG A N 179 C CA . ARG A 64 ? 1.1233 1.7769 0.4822 -0.3321 0.0034 -0.0564 87 ARG A CA 180 C C . ARG A 64 ? 1.1339 1.7974 0.4913 -0.3280 0.0158 -0.0934 87 ARG A C 181 O O . ARG A 64 ? 1.1824 1.8592 0.5098 -0.3382 0.0154 -0.1043 87 ARG A O 182 C CB . ARG A 64 ? 1.1251 1.7606 0.4782 -0.3302 -0.0205 -0.0391 87 ARG A CB 183 C CG . ARG A 64 ? 1.1098 1.7297 0.4705 -0.3301 -0.0346 -0.0040 87 ARG A CG 184 C CD . ARG A 64 ? 1.0992 1.7000 0.4657 -0.3224 -0.0566 0.0060 87 ARG A CD 185 N NE . ARG A 64 ? 1.0801 1.6626 0.4595 -0.3188 -0.0707 0.0375 87 ARG A NE 186 C CZ . ARG A 64 ? 1.0262 1.5902 0.4405 -0.3051 -0.0718 0.0420 87 ARG A CZ 187 N NH1 . ARG A 64 ? 0.9870 1.5487 0.4254 -0.2939 -0.0598 0.0181 87 ARG A NH1 188 N NH2 . ARG A 64 ? 1.0144 1.5617 0.4389 -0.3024 -0.0849 0.0703 87 ARG A NH2 189 N N . MET A 65 ? 1.1391 1.7947 0.5287 -0.3126 0.0260 -0.1128 88 MET A N 190 C CA . MET A 65 ? 1.2243 1.8843 0.6173 -0.3059 0.0376 -0.1484 88 MET A CA 191 C C . MET A 65 ? 1.2095 1.8442 0.6345 -0.2874 0.0327 -0.1585 88 MET A C 192 O O . MET A 65 ? 1.1311 1.7478 0.5768 -0.2797 0.0226 -0.1390 88 MET A O 193 C CB . MET A 65 ? 1.2718 1.9530 0.6693 -0.3066 0.0608 -0.1676 88 MET A CB 194 C CG . MET A 65 ? 1.3371 2.0246 0.7334 -0.3012 0.0734 -0.2052 88 MET A CG 195 S SD . MET A 65 ? 1.4101 2.1226 0.8165 -0.2991 0.1004 -0.2297 88 MET A SD 196 C CE . MET A 65 ? 1.3543 2.0466 0.7938 -0.2758 0.1067 -0.2622 88 MET A CE 197 N N . ALA A 66 ? 1.2302 1.8628 0.6584 -0.2806 0.0404 -0.1899 89 ALA A N 198 C CA . ALA A 66 ? 1.2113 1.8200 0.6674 -0.2638 0.0384 -0.2045 89 ALA A CA 199 C C . ALA A 66 ? 1.2087 1.8149 0.6932 -0.2490 0.0557 -0.2250 89 ALA A C 200 O O . ALA A 66 ? 1.2703 1.8872 0.7511 -0.2476 0.0703 -0.2518 89 ALA A O 201 C CB . ALA A 66 ? 1.2416 1.8437 0.6833 -0.2656 0.0320 -0.2246 89 ALA A CB 202 N N . ASN A 67 ? 1.1337 1.7251 0.6466 -0.2376 0.0531 -0.2118 90 ASN A N 203 C CA . ASN A 67 ? 1.1236 1.7059 0.6382 -0.2412 0.0370 -0.1785 90 ASN A CA 204 C C . ASN A 67 ? 1.0401 1.6180 0.5806 -0.2333 0.0400 -0.1626 90 ASN A C 205 O O . ASN A 67 ? 1.0605 1.6292 0.6275 -0.2189 0.0478 -0.1744 90 ASN A O 206 C CB . ASN A 67 ? 1.1640 1.7226 0.6830 -0.2365 0.0192 -0.1737 90 ASN A CB 207 C CG . ASN A 67 ? 1.2591 1.8203 0.7552 -0.2495 0.0011 -0.1483 90 ASN A CG 208 O OD1 . ASN A 67 ? 1.3406 1.9188 0.8072 -0.2630 0.0005 -0.1491 90 ASN A OD1 209 N ND2 . ASN A 67 ? 1.2318 1.7762 0.7421 -0.2448 -0.0136 -0.1259 90 ASN A ND2 210 N N . VAL A 68 ? 1.1207 1.7036 0.6514 -0.2436 0.0320 -0.1341 91 VAL A N 211 C CA . VAL A 68 ? 0.9673 1.5482 0.5163 -0.2410 0.0330 -0.1141 91 VAL A CA 212 C C . VAL A 68 ? 0.9664 1.5205 0.5374 -0.2295 0.0194 -0.1007 91 VAL A C 213 O O . VAL A 68 ? 0.9323 1.4737 0.4955 -0.2312 0.0038 -0.0906 91 VAL A O 214 C CB . VAL A 68 ? 0.9509 1.5461 0.4777 -0.2582 0.0297 -0.0893 91 VAL A CB 215 C CG1 . VAL A 68 ? 0.9517 1.5334 0.4642 -0.2642 0.0092 -0.0651 91 VAL A CG1 216 C CG2 . VAL A 68 ? 0.9328 1.5314 0.4765 -0.2576 0.0358 -0.0757 91 VAL A CG2 217 N N . LEU A 69 ? 0.8937 1.4397 0.4929 -0.2171 0.0250 -0.1019 92 LEU A N 218 C CA . LEU A 69 ? 0.9097 1.4308 0.5286 -0.2068 0.0125 -0.0891 92 LEU A CA 219 C C . LEU A 69 ? 0.8449 1.3608 0.4580 -0.2150 -0.0013 -0.0566 92 LEU A C 220 O O . LEU A 69 ? 0.8914 1.3897 0.5076 -0.2121 -0.0165 -0.0444 92 LEU A O 221 C CB . LEU A 69 ? 0.8309 1.3445 0.4797 -0.1920 0.0209 -0.0964 92 LEU A CB 222 C CG . LEU A 69 ? 0.8508 1.3788 0.5109 -0.1924 0.0322 -0.0917 92 LEU A CG 223 C CD1 . LEU A 69 ? 0.8807 1.3959 0.5534 -0.1916 0.0224 -0.0655 92 LEU A CD1 224 C CD2 . LEU A 69 ? 0.8639 1.3928 0.5457 -0.1776 0.0452 -0.1156 92 LEU A CD2 225 N N . CYS A 70 ? 0.8406 1.3713 0.4449 -0.2257 0.0037 -0.0430 93 CYS A N 226 C CA . CYS A 70 ? 0.7972 1.3214 0.3982 -0.2331 -0.0074 -0.0121 93 CYS A CA 227 C C . CYS A 70 ? 0.9159 1.4601 0.4875 -0.2510 -0.0042 -0.0042 93 CYS A C 228 O O . CYS A 70 ? 0.9688 1.5341 0.5326 -0.2560 0.0110 -0.0209 93 CYS A O 229 C CB . CYS A 70 ? 0.8067 1.3245 0.4337 -0.2261 -0.0028 -0.0037 93 CYS A CB 230 S SG . CYS A 70 ? 0.8438 1.3542 0.4684 -0.2358 -0.0127 0.0311 93 CYS A SG 231 N N . SER A 71 ? 0.8464 1.3848 0.4012 -0.2605 -0.0182 0.0206 94 SER A N 232 C CA . SER A 71 ? 0.8692 1.4263 0.3909 -0.2776 -0.0161 0.0251 94 SER A CA 233 C C . SER A 71 ? 0.9415 1.4981 0.4543 -0.2895 -0.0199 0.0537 94 SER A C 234 O O . SER A 71 ? 0.9530 1.4900 0.4706 -0.2878 -0.0352 0.0777 94 SER A O 235 C CB . SER A 71 ? 0.9177 1.4734 0.4164 -0.2814 -0.0291 0.0244 94 SER A CB 236 O OG . SER A 71 ? 0.9907 1.5604 0.4560 -0.2986 -0.0312 0.0372 94 SER A OG 237 N N . CYS A 72 ? 0.9070 1.4849 0.4064 -0.3017 -0.0058 0.0502 95 CYS A N 238 C CA . CYS A 72 ? 0.9636 1.5468 0.4406 -0.3185 -0.0080 0.0735 95 CYS A CA 239 C C . CYS A 72 ? 1.0877 1.6873 0.5300 -0.3295 -0.0080 0.0653 95 CYS A C 240 O O . CYS A 72 ? 1.1869 1.7931 0.6284 -0.3231 -0.0044 0.0410 95 CYS A O 241 C CB . CYS A 72 ? 1.0192 1.6179 0.5037 -0.3253 0.0088 0.0711 95 CYS A CB 242 S SG . CYS A 72 ? 1.0861 1.6752 0.6145 -0.3064 0.0151 0.0584 95 CYS A SG 243 N N . SER A 73 ? 1.0706 1.6737 0.4838 -0.3452 -0.0141 0.0865 96 SER A N 244 C CA . SER A 73 ? 1.0643 1.6468 0.4789 -0.3482 -0.0281 0.1194 96 SER A CA 245 C C . SER A 73 ? 1.1312 1.7050 0.5226 -0.3499 -0.0474 0.1316 96 SER A C 246 O O . SER A 73 ? 1.0748 1.6512 0.4667 -0.3421 -0.0504 0.1130 96 SER A O 247 C CB . SER A 73 ? 1.1049 1.6977 0.5056 -0.3648 -0.0186 0.1336 96 SER A CB 248 O OG . SER A 73 ? 1.1689 1.7415 0.5616 -0.3708 -0.0334 0.1668 96 SER A OG 249 N N . GLU A 74 ? 1.1343 1.6977 0.5063 -0.3593 -0.0609 0.1611 97 GLU A N 250 C CA . GLU A 74 ? 1.1567 1.7149 0.5048 -0.3609 -0.0799 0.1719 97 GLU A CA 251 C C . GLU A 74 ? 1.1889 1.7719 0.5108 -0.3680 -0.0724 0.1482 97 GLU A C 252 O O . GLU A 74 ? 1.2198 1.8246 0.5213 -0.3816 -0.0567 0.1398 97 GLU A O 253 C CB . GLU A 74 ? 1.2068 1.7555 0.5299 -0.3731 -0.0924 0.2052 97 GLU A CB 254 C CG . GLU A 74 ? 1.1830 1.7073 0.5293 -0.3684 -0.0981 0.2283 97 GLU A CG 255 C CD . GLU A 74 ? 1.2375 1.7513 0.5580 -0.3813 -0.1086 0.2607 97 GLU A CD 256 O OE1 . GLU A 74 ? 1.2584 1.7470 0.5963 -0.3758 -0.1184 0.2825 97 GLU A OE1 257 O OE2 . GLU A 74 ? 1.2951 1.8249 0.5773 -0.3966 -0.1074 0.2643 97 GLU A OE2 258 N N . ASP A 75 ? 1.1844 1.7647 0.5065 -0.3594 -0.0833 0.1367 98 ASP A N 259 C CA . ASP A 75 ? 1.1620 1.7191 0.5017 -0.3459 -0.1046 0.1497 98 ASP A CA 260 C C . ASP A 75 ? 1.0934 1.6335 0.4768 -0.3271 -0.1038 0.1404 98 ASP A C 261 O O . ASP A 75 ? 1.0758 1.6057 0.4715 -0.3159 -0.1166 0.1359 98 ASP A O 262 C CB . ASP A 75 ? 1.1915 1.7563 0.5109 -0.3463 -0.1164 0.1392 98 ASP A CB 263 C CG . ASP A 75 ? 1.1754 1.7552 0.4993 -0.3429 -0.1019 0.1028 98 ASP A CG 264 O OD1 . ASP A 75 ? 1.1409 1.7248 0.4846 -0.3390 -0.0834 0.0867 98 ASP A OD1 265 O OD2 . ASP A 75 ? 1.1979 1.7847 0.5067 -0.3436 -0.1095 0.0899 98 ASP A OD2 266 N N . CYS A 76 ? 1.0565 1.5939 0.4629 -0.3239 -0.0895 0.1374 99 CYS A N 267 C CA . CYS A 76 ? 0.9947 1.5167 0.4400 -0.3065 -0.0886 0.1282 99 CYS A CA 268 C C . CYS A 76 ? 0.9784 1.4746 0.4409 -0.2967 -0.1085 0.1514 99 CYS A C 269 O O . CYS A 76 ? 0.9412 1.4252 0.4278 -0.2823 -0.1149 0.1433 99 CYS A O 270 C CB . CYS A 76 ? 0.9621 1.4880 0.4274 -0.3054 -0.0702 0.1211 99 CYS A CB 271 S SG . CYS A 76 ? 0.9519 1.4604 0.4309 -0.3080 -0.0733 0.1515 99 CYS A SG 272 N N . LEU A 77 ? 1.0079 1.4950 0.4588 -0.3040 -0.1183 0.1799 100 LEU A N 273 C CA . LEU A 77 ? 0.9912 1.4524 0.4626 -0.2936 -0.1354 0.2020 100 LEU A CA 274 C C . LEU A 77 ? 1.0010 1.4566 0.4708 -0.2856 -0.1548 0.2035 100 LEU A C 275 O O . LEU A 77 ? 0.9630 1.4041 0.4612 -0.2707 -0.1627 0.2008 100 LEU A O 276 C CB . LEU A 77 ? 1.0259 1.4772 0.4842 -0.3037 -0.1408 0.2317 100 LEU A CB 277 C CG . LEU A 77 ? 1.0061 1.4521 0.4786 -0.3075 -0.1274 0.2376 100 LEU A CG 278 C CD1 . LEU A 77 ? 1.0472 1.4790 0.5052 -0.3170 -0.1368 0.2689 100 LEU A CD1 279 C CD2 . LEU A 77 ? 0.9434 1.3735 0.4569 -0.2915 -0.1249 0.2311 100 LEU A CD2 280 N N . THR A 78 ? 1.0541 1.5220 0.4904 -0.2958 -0.1632 0.2076 101 THR A N 281 C CA . THR A 78 ? 1.0674 1.5326 0.5013 -0.2889 -0.1829 0.2088 101 THR A CA 282 C C . THR A 78 ? 1.0309 1.5016 0.4821 -0.2792 -0.1786 0.1798 101 THR A C 283 O O . THR A 78 ? 1.0175 1.4798 0.4847 -0.2682 -0.1935 0.1793 101 THR A O 284 C CB . THR A 78 ? 1.1346 1.6146 0.5264 -0.3027 -0.1919 0.2169 101 THR A CB 285 O OG1 . THR A 78 ? 1.1503 1.6539 0.5199 -0.3138 -0.1751 0.1935 101 THR A OG1 286 C CG2 . THR A 78 ? 1.1750 1.6476 0.5479 -0.3127 -0.1965 0.2466 101 THR A CG2 287 N N . LYS A 79 ? 1.0154 1.5000 0.4652 -0.2828 -0.1584 0.1550 102 LYS A N 288 C CA . LYS A 79 ? 0.9819 1.4678 0.4494 -0.2730 -0.1549 0.1281 102 LYS A CA 289 C C . LYS A 79 ? 0.9219 1.3917 0.4273 -0.2592 -0.1481 0.1237 102 LYS A C 290 O O . LYS A 79 ? 0.8918 1.3598 0.4140 -0.2504 -0.1446 0.1025 102 LYS A O 291 C CB . LYS A 79 ? 1.0003 1.5066 0.4512 -0.2804 -0.1375 0.0993 102 LYS A CB 292 C CG . LYS A 79 ? 1.0528 1.5784 0.4637 -0.2969 -0.1363 0.1018 102 LYS A CG 293 C CD . LYS A 79 ? 1.1054 1.6273 0.4996 -0.2996 -0.1595 0.1229 102 LYS A CD 294 C CE . LYS A 79 ? 1.1527 1.6919 0.5057 -0.3164 -0.1593 0.1298 102 LYS A CE 295 N NZ . LYS A 79 ? 1.1891 1.7192 0.5274 -0.3207 -0.1774 0.1642 102 LYS A NZ 296 N N . LYS A 80 ? 0.9751 1.4334 0.4929 -0.2581 -0.1455 0.1424 103 LYS A N 297 C CA . LYS A 80 ? 0.9055 1.3475 0.4588 -0.2452 -0.1406 0.1411 103 LYS A CA 298 C C . LYS A 80 ? 0.8226 1.2737 0.3849 -0.2424 -0.1211 0.1135 103 LYS A C 299 O O . LYS A 80 ? 0.7914 1.2327 0.3791 -0.2300 -0.1189 0.1010 103 LYS A O 300 C CB . LYS A 80 ? 0.9160 1.3412 0.4924 -0.2315 -0.1574 0.1457 103 LYS A CB 301 C CG . LYS A 80 ? 0.9158 1.3386 0.4780 -0.2339 -0.1785 0.1657 103 LYS A CG 302 C CD . LYS A 80 ? 0.9462 1.3475 0.5295 -0.2253 -0.1904 0.1900 103 LYS A CD 303 C CE . LYS A 80 ? 1.0502 1.4488 0.6242 -0.2242 -0.2129 0.2074 103 LYS A CE 304 N NZ . LYS A 80 ? 1.0692 1.4720 0.6543 -0.2156 -0.2237 0.1929 103 LYS A NZ 305 N N . ASP A 81 ? 0.8883 1.3586 0.4293 -0.2540 -0.1069 0.1041 104 ASP A N 306 C CA . ASP A 81 ? 0.8473 1.3304 0.3922 -0.2529 -0.0876 0.0769 104 ASP A CA 307 C C . ASP A 81 ? 0.8140 1.3011 0.3686 -0.2552 -0.0728 0.0802 104 ASP A C 308 O O . ASP A 81 ? 0.8029 1.3027 0.3615 -0.2541 -0.0560 0.0586 104 ASP A O 309 C CB . ASP A 81 ? 0.8811 1.3861 0.3942 -0.2646 -0.0823 0.0615 104 ASP A CB 310 C CG . ASP A 81 ? 0.8876 1.3982 0.4059 -0.2584 -0.0729 0.0296 104 ASP A CG 311 O OD1 . ASP A 81 ? 0.8535 1.3506 0.3992 -0.2449 -0.0713 0.0198 104 ASP A OD1 312 O OD2 . ASP A 81 ? 0.9007 1.4285 0.3947 -0.2673 -0.0675 0.0146 104 ASP A OD2 313 N N . CYS A 82 ? 0.8149 1.2916 0.3735 -0.2583 -0.0789 0.1060 105 CYS A N 314 C CA . CYS A 82 ? 0.8429 1.3278 0.4015 -0.2662 -0.0660 0.1117 105 CYS A CA 315 C C . CYS A 82 ? 0.7673 1.2497 0.3556 -0.2554 -0.0537 0.0983 105 CYS A C 316 O O . CYS A 82 ? 0.7290 1.1936 0.3416 -0.2417 -0.0596 0.0978 105 CYS A O 317 C CB . CYS A 82 ? 0.8327 1.3036 0.3883 -0.2725 -0.0769 0.1432 105 CYS A CB 318 S SG . CYS A 82 ? 0.8966 1.3700 0.4156 -0.2861 -0.0916 0.1635 105 CYS A SG 319 N N . CYS A 83 ? 0.7914 1.2924 0.3773 -0.2618 -0.0367 0.0876 106 CYS A N 320 C CA . CYS A 83 ? 0.7362 1.2355 0.3490 -0.2543 -0.0267 0.0827 106 CYS A CA 321 C C . CYS A 83 ? 0.7262 1.2066 0.3503 -0.2554 -0.0360 0.1095 106 CYS A C 322 O O . CYS A 83 ? 0.7602 1.2387 0.3672 -0.2678 -0.0421 0.1304 106 CYS A O 323 C CB . CYS A 83 ? 0.7733 1.2989 0.3809 -0.2620 -0.0076 0.0671 106 CYS A CB 324 S SG . CYS A 83 ? 0.8060 1.3476 0.4074 -0.2561 0.0026 0.0331 106 CYS A SG 325 N N . THR A 84 ? 0.6765 1.1415 0.3291 -0.2421 -0.0374 0.1088 107 THR A N 326 C CA . THR A 84 ? 0.6651 1.1087 0.3312 -0.2410 -0.0473 0.1326 107 THR A CA 327 C C . THR A 84 ? 0.6894 1.1396 0.3466 -0.2558 -0.0423 0.1476 107 THR A C 328 O O . THR A 84 ? 0.7020 1.1341 0.3588 -0.2600 -0.0531 0.1715 107 THR A O 329 C CB . THR A 84 ? 0.6148 1.0462 0.3118 -0.2257 -0.0453 0.1251 107 THR A CB 330 O OG1 . THR A 84 ? 0.5998 1.0500 0.3048 -0.2255 -0.0286 0.1078 107 THR A OG1 331 C CG2 . THR A 84 ? 0.5948 1.0177 0.2993 -0.2122 -0.0507 0.1118 107 THR A CG2 332 N N . ASP A 85 ? 0.7129 1.1876 0.3638 -0.2637 -0.0263 0.1340 108 ASP A N 333 C CA . ASP A 85 ? 0.7495 1.2298 0.3920 -0.2788 -0.0218 0.1488 108 ASP A CA 334 C C . ASP A 85 ? 0.8340 1.3194 0.4431 -0.2951 -0.0264 0.1631 108 ASP A C 335 O O . ASP A 85 ? 0.8361 1.3231 0.4343 -0.3092 -0.0241 0.1785 108 ASP A O 336 C CB . ASP A 85 ? 0.7998 1.3053 0.4506 -0.2815 -0.0029 0.1300 108 ASP A CB 337 C CG . ASP A 85 ? 0.8250 1.3548 0.4681 -0.2786 0.0088 0.1025 108 ASP A CG 338 O OD1 . ASP A 85 ? 0.8501 1.3779 0.4786 -0.2766 0.0028 0.0979 108 ASP A OD1 339 O OD2 . ASP A 85 ? 0.8568 1.4076 0.5093 -0.2782 0.0240 0.0849 108 ASP A OD2 340 N N . TYR A 86 ? 0.8146 1.3003 0.4073 -0.2933 -0.0341 0.1598 109 TYR A N 341 C CA . TYR A 86 ? 0.8520 1.3503 0.4099 -0.3085 -0.0353 0.1662 109 TYR A CA 342 C C . TYR A 86 ? 0.8911 1.3809 0.4331 -0.3236 -0.0405 0.1941 109 TYR A C 343 O O . TYR A 86 ? 0.9305 1.4387 0.4495 -0.3398 -0.0310 0.1952 109 TYR A O 344 C CB . TYR A 86 ? 0.8634 1.3538 0.4097 -0.3026 -0.0495 0.1666 109 TYR A CB 345 C CG . TYR A 86 ? 0.9233 1.4196 0.4334 -0.3179 -0.0561 0.1812 109 TYR A CG 346 C CD1 . TYR A 86 ? 0.9586 1.4819 0.4432 -0.3308 -0.0434 0.1683 109 TYR A CD1 347 C CD2 . TYR A 86 ? 0.9474 1.4224 0.4489 -0.3195 -0.0746 0.2084 109 TYR A CD2 348 C CE1 . TYR A 86 ? 1.0159 1.5450 0.4657 -0.3454 -0.0491 0.1823 109 TYR A CE1 349 C CE2 . TYR A 86 ? 1.0054 1.4856 0.4725 -0.3333 -0.0812 0.2229 109 TYR A CE2 350 C CZ . TYR A 86 ? 1.0397 1.5471 0.4799 -0.3467 -0.0684 0.2099 109 TYR A CZ 351 O OH . TYR A 86 ? 1.1010 1.6141 0.5044 -0.3613 -0.0747 0.2247 109 TYR A OH 352 N N . LYS A 87 ? 0.8841 1.3453 0.4374 -0.3187 -0.0553 0.2166 110 LYS A N 353 C CA . LYS A 87 ? 0.9280 1.3769 0.4639 -0.3324 -0.0623 0.2444 110 LYS A CA 354 C C . LYS A 87 ? 0.9416 1.3961 0.4837 -0.3429 -0.0491 0.2471 110 LYS A C 355 O O . LYS A 87 ? 0.9744 1.4361 0.4928 -0.3604 -0.0448 0.2591 110 LYS A O 356 C CB . LYS A 87 ? 0.9243 1.3397 0.4714 -0.3229 -0.0825 0.2667 110 LYS A CB 357 C CG . LYS A 87 ? 0.9721 1.3835 0.5150 -0.3124 -0.0960 0.2635 110 LYS A CG 358 C CD . LYS A 87 ? 0.9585 1.3396 0.5075 -0.3049 -0.1169 0.2878 110 LYS A CD 359 C CE . LYS A 87 ? 0.9630 1.3461 0.4933 -0.3023 -0.1310 0.2905 110 LYS A CE 360 N NZ . LYS A 87 ? 0.9579 1.3138 0.5046 -0.2888 -0.1509 0.3068 110 LYS A NZ 361 N N . SER A 88 ? 0.8976 1.3494 0.4708 -0.3329 -0.0426 0.2364 111 SER A N 362 C CA . SER A 88 ? 0.9192 1.3781 0.4998 -0.3426 -0.0302 0.2374 111 SER A CA 363 C C . SER A 88 ? 0.9868 1.4811 0.5512 -0.3552 -0.0116 0.2203 111 SER A C 364 O O . SER A 88 ? 0.9584 1.4615 0.5151 -0.3702 -0.0024 0.2268 111 SER A O 365 C CB . SER A 88 ? 0.8631 1.3144 0.4800 -0.3281 -0.0272 0.2269 111 SER A CB 366 O OG . SER A 88 ? 0.8249 1.3023 0.4536 -0.3214 -0.0126 0.1985 111 SER A OG 367 N N . ILE A 89 ? 0.9151 1.4295 0.4734 -0.3499 -0.0061 0.1986 112 ILE A N 368 C CA . ILE A 89 ? 0.9550 1.5039 0.5068 -0.3565 0.0131 0.1754 112 ILE A CA 369 C C . ILE A 89 ? 1.0158 1.5809 0.5304 -0.3710 0.0152 0.1767 112 ILE A C 370 O O . ILE A 89 ? 1.0386 1.6321 0.5420 -0.3820 0.0314 0.1634 112 ILE A O 371 C CB . ILE A 89 ? 1.0035 1.5623 0.5787 -0.3380 0.0194 0.1465 112 ILE A CB 372 C CG1 . ILE A 89 ? 0.9718 1.5650 0.5469 -0.3401 0.0392 0.1188 112 ILE A CG1 373 C CG2 . ILE A 89 ? 1.0443 1.5941 0.6098 -0.3296 0.0082 0.1435 112 ILE A CG2 374 C CD1 . ILE A 89 ? 0.8361 1.4318 0.4391 -0.3195 0.0435 0.0935 112 ILE A CD1 375 N N . CYS A 90 ? 1.0732 1.6218 0.5683 -0.3717 -0.0008 0.1927 113 CYS A N 376 C CA . CYS A 90 ? 1.0536 1.6153 0.5115 -0.3845 -0.0018 0.1954 113 CYS A CA 377 C C . CYS A 90 ? 1.1367 1.6778 0.5703 -0.3959 -0.0169 0.2284 113 CYS A C 378 O O . CYS A 90 ? 1.1422 1.6959 0.5418 -0.4125 -0.0144 0.2359 113 CYS A O 379 C CB . CYS A 90 ? 1.0320 1.5964 0.4865 -0.3727 -0.0080 0.1790 113 CYS A CB 380 S SG . CYS A 90 ? 1.0567 1.6479 0.5296 -0.3619 0.0110 0.1383 113 CYS A SG 381 N N . LYS A 91 ? 1.0725 1.5819 0.5225 -0.3871 -0.0327 0.2484 114 LYS A N 382 C CA . LYS A 91 ? 1.1194 1.6049 0.5510 -0.3957 -0.0477 0.2809 114 LYS A CA 383 C C . LYS A 91 ? 1.1786 1.6525 0.6173 -0.4056 -0.0429 0.2972 114 LYS A C 384 O O . LYS A 91 ? 1.1602 1.6124 0.5836 -0.4137 -0.0540 0.3249 114 LYS A O 385 C CB . LYS A 91 ? 1.0916 1.5476 0.5377 -0.3791 -0.0689 0.2930 114 LYS A CB 386 C CG . LYS A 91 ? 1.1190 1.5769 0.5427 -0.3768 -0.0818 0.2947 114 LYS A CG 387 C CD . LYS A 91 ? 1.0876 1.5194 0.5346 -0.3577 -0.1003 0.3015 114 LYS A CD 388 C CE . LYS A 91 ? 1.1561 1.5706 0.5814 -0.3596 -0.1209 0.3270 114 LYS A CE 389 N NZ . LYS A 91 ? 1.1386 1.5418 0.5804 -0.3412 -0.1365 0.3231 114 LYS A NZ 390 N N . ARG A 92 ? 1.1330 1.6197 0.5952 -0.4042 -0.0274 0.2808 115 ARG A N 391 C CA . ARG A 92 ? 1.1751 1.6519 0.6471 -0.4132 -0.0219 0.2936 115 ARG A CA 392 C C . ARG A 92 ? 1.1166 1.5530 0.6034 -0.4052 -0.0397 0.3177 115 ARG A C 393 O O . ARG A 92 ? 1.1613 1.5793 0.6381 -0.4168 -0.0434 0.3410 115 ARG A O 394 C CB . ARG A 92 ? 1.2975 1.7880 0.7369 -0.4373 -0.0124 0.3049 115 ARG A CB 395 C CG . ARG A 92 ? 1.3126 1.8419 0.7520 -0.4461 0.0108 0.2800 115 ARG A CG 396 C CD . ARG A 92 ? 1.2807 1.8119 0.7568 -0.4387 0.0202 0.2678 115 ARG A CD 397 N NE . ARG A 92 ? 1.2895 1.7888 0.7752 -0.4418 0.0114 0.2923 115 ARG A NE 398 C CZ . ARG A 92 ? 1.2246 1.7092 0.7438 -0.4299 0.0096 0.2893 115 ARG A CZ 399 N NH1 . ARG A 92 ? 1.1599 1.6590 0.7058 -0.4139 0.0155 0.2639 115 ARG A NH1 400 N NH2 . ARG A 92 ? 1.2279 1.6824 0.7531 -0.4339 0.0017 0.3117 115 ARG A NH2 401 N N . GLU A 93 ? 1.0738 1.4957 0.5846 -0.3851 -0.0503 0.3117 116 GLU A N 402 C CA . GLU A 93 ? 1.0403 1.4269 0.5738 -0.3743 -0.0642 0.3279 116 GLU A CA 403 C C . GLU A 93 ? 0.9924 1.3807 0.5592 -0.3671 -0.0539 0.3135 116 GLU A C 404 O O . GLU A 93 ? 1.0021 1.4183 0.5768 -0.3659 -0.0389 0.2894 116 GLU A O 405 C CB . GLU A 93 ? 1.0786 1.4497 0.6200 -0.3566 -0.0812 0.3290 116 GLU A CB 406 C CG . GLU A 93 ? 1.1339 1.4674 0.6821 -0.3502 -0.1001 0.3546 116 GLU A CG 407 C CD . GLU A 93 ? 1.2276 1.5533 0.7616 -0.3434 -0.1172 0.3637 116 GLU A CD 408 O OE1 . GLU A 93 ? 1.2617 1.5664 0.7823 -0.3468 -0.1304 0.3877 116 GLU A OE1 409 O OE2 . GLU A 93 ? 1.2499 1.5905 0.7856 -0.3347 -0.1174 0.3467 116 GLU A OE2 410 N N . THR A 94 ? 0.9516 1.3102 0.5375 -0.3623 -0.0620 0.3280 117 THR A N 411 C CA . THR A 94 ? 0.9751 1.3343 0.5924 -0.3547 -0.0537 0.3146 117 THR A CA 412 C C . THR A 94 ? 0.8477 1.2061 0.4889 -0.3332 -0.0584 0.2977 117 THR A C 413 O O . THR A 94 ? 0.8419 1.1772 0.4894 -0.3214 -0.0738 0.3071 117 THR A O 414 C CB . THR A 94 ? 0.9687 1.2961 0.5982 -0.3576 -0.0597 0.3343 117 THR A CB 415 O OG1 . THR A 94 ? 1.0164 1.3134 0.6651 -0.3405 -0.0757 0.3421 117 THR A OG1 416 C CG2 . THR A 94 ? 0.9772 1.2932 0.5788 -0.3764 -0.0621 0.3586 117 THR A CG2 417 N N . SER A 95 ? 0.8643 1.2486 0.5182 -0.3282 -0.0447 0.2724 118 SER A N 418 C CA . SER A 95 ? 0.8019 1.1865 0.4792 -0.3086 -0.0464 0.2548 118 SER A CA 419 C C . SER A 95 ? 0.7421 1.0986 0.4471 -0.2971 -0.0545 0.2622 118 SER A C 420 O O . SER A 95 ? 0.7951 1.1431 0.5084 -0.3038 -0.0512 0.2698 118 SER A O 421 C CB . SER A 95 ? 0.7537 1.1694 0.4404 -0.3062 -0.0291 0.2279 118 SER A CB 422 O OG . SER A 95 ? 0.7586 1.1722 0.4649 -0.3073 -0.0226 0.2271 118 SER A OG 423 N N . TRP A 96 ? 0.6941 1.0381 0.4146 -0.2798 -0.0637 0.2572 119 TRP A N 424 C CA . TRP A 96 ? 0.6632 0.9809 0.4108 -0.2674 -0.0713 0.2623 119 TRP A CA 425 C C . TRP A 96 ? 0.6414 0.9639 0.4057 -0.2698 -0.0606 0.2555 119 TRP A C 426 O O . TRP A 96 ? 0.6448 0.9442 0.4203 -0.2711 -0.0654 0.2685 119 TRP A O 427 C CB . TRP A 96 ? 0.6241 0.9382 0.3876 -0.2486 -0.0764 0.2495 119 TRP A CB 428 C CG . TRP A 96 ? 0.5892 0.8802 0.3814 -0.2353 -0.0818 0.2508 119 TRP A CG 429 C CD1 . TRP A 96 ? 0.5949 0.8548 0.3982 -0.2289 -0.0956 0.2670 119 TRP A CD1 430 C CD2 . TRP A 96 ? 0.5724 0.8700 0.3857 -0.2264 -0.0733 0.2347 119 TRP A CD2 431 N NE1 . TRP A 96 ? 0.5887 0.8355 0.4183 -0.2171 -0.0957 0.2613 119 TRP A NE1 432 C CE2 . TRP A 96 ? 0.5275 0.7970 0.3626 -0.2157 -0.0825 0.2423 119 TRP A CE2 433 C CE3 . TRP A 96 ? 0.5227 0.8474 0.3386 -0.2255 -0.0589 0.2141 119 TRP A CE3 434 C CZ2 . TRP A 96 ? 0.5385 0.8062 0.3956 -0.2056 -0.0778 0.2311 119 TRP A CZ2 435 C CZ3 . TRP A 96 ? 0.5472 0.8701 0.3853 -0.2147 -0.0550 0.2035 119 TRP A CZ3 436 C CH2 . TRP A 96 ? 0.5331 0.8278 0.3906 -0.2055 -0.0644 0.2125 119 TRP A CH2 437 N N . LEU A 97 ? 0.6222 0.9746 0.3883 -0.2704 -0.0459 0.2346 120 LEU A N 438 C CA . LEU A 97 ? 0.6360 0.9957 0.4204 -0.2704 -0.0360 0.2256 120 LEU A CA 439 C C . LEU A 97 ? 0.7164 1.0713 0.4941 -0.2875 -0.0326 0.2398 120 LEU A C 440 O O . LEU A 97 ? 0.6451 0.9855 0.4397 -0.2871 -0.0329 0.2441 120 LEU A O 441 C CB . LEU A 97 ? 0.5771 0.9718 0.3641 -0.2672 -0.0209 0.1999 120 LEU A CB 442 C CG . LEU A 97 ? 0.5515 0.9570 0.3589 -0.2652 -0.0109 0.1887 120 LEU A CG 443 C CD1 . LEU A 97 ? 0.5155 0.8971 0.3467 -0.2512 -0.0188 0.1910 120 LEU A CD1 444 C CD2 . LEU A 97 ? 0.5355 0.9754 0.3452 -0.2601 0.0030 0.1629 120 LEU A CD2 445 N N . LYS A 98 ? 0.7313 1.0977 0.4839 -0.3034 -0.0290 0.2471 121 LYS A N 446 C CA . LYS A 98 ? 0.7604 1.1204 0.5045 -0.3210 -0.0255 0.2621 121 LYS A CA 447 C C . LYS A 98 ? 0.7767 1.0964 0.5219 -0.3219 -0.0402 0.2868 121 LYS A C 448 O O . LYS A 98 ? 0.8459 1.1545 0.5891 -0.3348 -0.0377 0.2990 121 LYS A O 449 C CB . LYS A 98 ? 0.8256 1.2065 0.5404 -0.3386 -0.0181 0.2653 121 LYS A CB 450 C CG . LYS A 98 ? 0.8750 1.2936 0.5912 -0.3451 0.0005 0.2447 121 LYS A CG 451 C CD . LYS A 98 ? 0.9284 1.3711 0.6380 -0.3373 0.0046 0.2262 121 LYS A CD 452 C CE . LYS A 98 ? 0.9320 1.4027 0.6590 -0.3291 0.0177 0.2000 121 LYS A CE 453 N NZ . LYS A 98 ? 0.8851 1.3640 0.6075 -0.3171 0.0155 0.1867 121 LYS A NZ 454 N N . ASP A 99 ? 0.7255 1.0232 0.4742 -0.3088 -0.0549 0.2941 122 ASP A N 455 C CA . ASP A 99 ? 0.7947 1.0541 0.5452 -0.3085 -0.0690 0.3171 122 ASP A CA 456 C C . ASP A 99 ? 0.8327 1.0704 0.6103 -0.3017 -0.0702 0.3169 122 ASP A C 457 O O . ASP A 99 ? 0.7521 1.0028 0.5487 -0.2941 -0.0627 0.2993 122 ASP A O 458 C CB . ASP A 99 ? 0.8804 1.1228 0.6299 -0.2951 -0.0849 0.3243 122 ASP A CB 459 C CG . ASP A 99 ? 1.0292 1.2884 0.7509 -0.3017 -0.0862 0.3269 122 ASP A CG 460 O OD1 . ASP A 99 ? 1.0557 1.3459 0.7716 -0.3024 -0.0756 0.3083 122 ASP A OD1 461 O OD2 . ASP A 99 ? 1.0991 1.3411 0.8044 -0.3059 -0.0975 0.3464 122 ASP A OD2 462 N N . GLN A 100 ? 0.9166 1.1199 0.6955 -0.3040 -0.0803 0.3369 123 GLN A N 463 C CA . GLN A 100 ? 0.9091 1.0843 0.7128 -0.2965 -0.0843 0.3391 123 GLN A CA 464 C C . GLN A 100 ? 0.8684 1.0228 0.6895 -0.2758 -0.0981 0.3390 123 GLN A C 465 O O . GLN A 100 ? 0.9108 1.0688 0.7237 -0.2686 -0.1059 0.3407 123 GLN A O 466 C CB . GLN A 100 ? 0.9535 1.1007 0.7499 -0.3099 -0.0870 0.3597 123 GLN A CB 467 C CG . GLN A 100 ? 1.0159 1.1833 0.7962 -0.3315 -0.0726 0.3601 123 GLN A CG 468 C CD . GLN A 100 ? 1.0656 1.2116 0.8575 -0.3406 -0.0684 0.3661 123 GLN A CD 469 O OE1 . GLN A 100 ? 1.0549 1.2204 0.8554 -0.3481 -0.0550 0.3531 123 GLN A OE1 470 N NE2 . GLN A 100 ? 1.0908 1.1962 0.8841 -0.3397 -0.0797 0.3851 123 GLN A NE2 471 N N . CYS A 101 ? 0.8482 0.9806 0.6941 -0.2666 -0.1006 0.3366 124 CYS A N 472 C CA . CYS A 101 ? 0.8733 0.9900 0.7399 -0.2462 -0.1108 0.3319 124 CYS A CA 473 C C . CYS A 101 ? 1.0137 1.1051 0.8763 -0.2397 -0.1262 0.3487 124 CYS A C 474 O O . CYS A 101 ? 0.9876 1.0824 0.8542 -0.2267 -0.1335 0.3447 124 CYS A O 475 C CB . CYS A 101 ? 0.8373 0.9345 0.7299 -0.2394 -0.1096 0.3262 124 CYS A CB 476 S SG . CYS A 101 ? 0.8364 0.9632 0.7405 -0.2395 -0.0943 0.3034 124 CYS A SG 477 N N . ALA A 102 ? 1.0061 1.0716 0.8616 -0.2483 -0.1313 0.3674 125 ALA A N 478 C CA . ALA A 102 ? 1.1043 1.1419 0.9584 -0.2409 -0.1468 0.3846 125 ALA A CA 479 C C . ALA A 102 ? 1.0664 1.0905 0.9467 -0.2186 -0.1562 0.3771 125 ALA A C 480 O O . ALA A 102 ? 1.0738 1.0761 0.9773 -0.2103 -0.1571 0.3734 125 ALA A O 481 C CB . ALA A 102 ? 1.1296 1.1824 0.9556 -0.2480 -0.1510 0.3944 125 ALA A CB 482 N N . SER A 107 ? 0.9219 0.9496 0.8477 -0.1299 -0.2217 0.3703 130 SER A N 483 C CA . SER A 107 ? 0.9307 0.9505 0.8765 -0.1121 -0.2336 0.3698 130 SER A CA 484 C C . SER A 107 ? 1.1092 1.1425 1.0347 -0.1132 -0.2450 0.3790 130 SER A C 485 O O . SER A 107 ? 1.1375 1.1643 1.0742 -0.1003 -0.2583 0.3843 130 SER A O 486 C CB . SER A 107 ? 0.9216 0.9083 0.8858 -0.1037 -0.2418 0.3817 130 SER A CB 487 O OG . SER A 107 ? 1.0395 1.0140 0.9864 -0.1074 -0.2548 0.4042 130 SER A OG 488 N N . GLN A 108 ? 1.0711 1.1243 0.9664 -0.1288 -0.2398 0.3806 131 GLN A N 489 C CA . GLN A 108 ? 1.0431 1.1073 0.9117 -0.1344 -0.2503 0.3929 131 GLN A CA 490 C C . GLN A 108 ? 0.9333 1.0280 0.7926 -0.1350 -0.2459 0.3759 131 GLN A C 491 O O . GLN A 108 ? 0.9499 1.0640 0.7847 -0.1492 -0.2367 0.3716 131 GLN A O 492 C CB . GLN A 108 ? 1.0672 1.1281 0.9056 -0.1531 -0.2480 0.4095 131 GLN A CB 493 C CG . GLN A 108 ? 1.1222 1.1507 0.9679 -0.1539 -0.2517 0.4264 131 GLN A CG 494 C CD . GLN A 108 ? 1.1859 1.1907 1.0543 -0.1357 -0.2674 0.4354 131 GLN A CD 495 O OE1 . GLN A 108 ? 1.2269 1.2369 1.0911 -0.1279 -0.2809 0.4415 131 GLN A OE1 496 N NE2 . GLN A 108 ? 1.1702 1.1494 1.0630 -0.1286 -0.2658 0.4355 131 GLN A NE2 497 N N . CYS A 109 ? 0.9681 1.0671 0.8477 -0.1196 -0.2520 0.3654 132 CYS A N 498 C CA . CYS A 109 ? 0.9250 1.0503 0.7941 -0.1198 -0.2514 0.3519 132 CYS A CA 499 C C . CYS A 109 ? 1.0032 1.1365 0.8454 -0.1253 -0.2652 0.3667 132 CYS A C 500 O O . CYS A 109 ? 1.0471 1.1643 0.8906 -0.1204 -0.2797 0.3852 132 CYS A O 501 C CB . CYS A 109 ? 0.9024 1.0304 0.8010 -0.1025 -0.2542 0.3365 132 CYS A CB 502 S SG . CYS A 109 ? 0.7569 0.8890 0.6753 -0.0991 -0.2358 0.3127 132 CYS A SG 503 N N . PRO A 110 ? 0.9422 1.0996 0.7594 -0.1352 -0.2614 0.3590 133 PRO A N 504 C CA . PRO A 110 ? 0.9609 1.1262 0.7488 -0.1423 -0.2741 0.3736 133 PRO A CA 505 C C . PRO A 110 ? 0.9349 1.1111 0.7296 -0.1305 -0.2890 0.3695 133 PRO A C 506 O O . PRO A 110 ? 0.8568 1.0269 0.6829 -0.1144 -0.2940 0.3625 133 PRO A O 507 C CB . PRO A 110 ? 1.0034 1.1906 0.7596 -0.1604 -0.2609 0.3659 133 PRO A CB 508 C CG . PRO A 110 ? 0.9505 1.1430 0.7228 -0.1602 -0.2421 0.3451 133 PRO A CG 509 C CD . PRO A 110 ? 0.9145 1.0922 0.7249 -0.1424 -0.2446 0.3381 133 PRO A CD 510 N N . GLU A 111 ? 0.8877 1.0817 0.6518 -0.1395 -0.2957 0.3730 134 GLU A N 511 C CA . GLU A 111 ? 0.9126 1.1162 0.6757 -0.1310 -0.3144 0.3761 134 GLU A CA 512 C C . GLU A 111 ? 0.8700 1.0887 0.6558 -0.1200 -0.3132 0.3526 134 GLU A C 513 O O . GLU A 111 ? 0.8449 1.0809 0.6220 -0.1269 -0.3010 0.3335 134 GLU A O 514 C CB . GLU A 111 ? 0.9851 1.2053 0.7061 -0.1458 -0.3195 0.3839 134 GLU A CB 515 C CG . GLU A 111 ? 1.1164 1.3206 0.8144 -0.1552 -0.3250 0.4105 134 GLU A CG 516 C CD . GLU A 111 ? 1.1927 1.3950 0.8729 -0.1724 -0.3060 0.4109 134 GLU A CD 517 O OE1 . GLU A 111 ? 1.1656 1.3547 0.8677 -0.1701 -0.2938 0.4058 134 GLU A OE1 518 O OE2 . GLU A 111 ? 1.2672 1.4824 0.9109 -0.1884 -0.3036 0.4164 134 GLU A OE2 519 N N . GLY A 112 ? 0.8650 1.0778 0.6799 -0.1031 -0.3262 0.3539 135 GLY A N 520 C CA . GLY A 112 ? 0.8269 1.0534 0.6661 -0.0925 -0.3258 0.3325 135 GLY A CA 521 C C . GLY A 112 ? 0.7702 0.9892 0.6365 -0.0872 -0.3088 0.3156 135 GLY A C 522 O O . GLY A 112 ? 0.7882 1.0192 0.6715 -0.0809 -0.3058 0.2963 135 GLY A O 523 N N . PHE A 113 ? 0.7587 0.9583 0.6293 -0.0900 -0.2980 0.3221 136 PHE A N 524 C CA . PHE A 113 ? 0.7986 0.9891 0.6955 -0.0839 -0.2832 0.3077 136 PHE A CA 525 C C . PHE A 113 ? 0.8262 0.9954 0.7544 -0.0694 -0.2901 0.3165 136 PHE A C 526 O O . PHE A 113 ? 0.8499 0.9985 0.7789 -0.0712 -0.2887 0.3302 136 PHE A O 527 C CB . PHE A 113 ? 0.6940 0.8803 0.5758 -0.0970 -0.2658 0.3059 136 PHE A CB 528 C CG . PHE A 113 ? 0.6832 0.8913 0.5422 -0.1082 -0.2551 0.2907 136 PHE A CG 529 C CD1 . PHE A 113 ? 0.7213 0.9432 0.5463 -0.1212 -0.2588 0.2974 136 PHE A CD1 530 C CD2 . PHE A 113 ? 0.6373 0.8516 0.5085 -0.1056 -0.2412 0.2694 136 PHE A CD2 531 C CE1 . PHE A 113 ? 0.7139 0.9559 0.5183 -0.1313 -0.2483 0.2819 136 PHE A CE1 532 C CE2 . PHE A 113 ? 0.6301 0.8632 0.4810 -0.1151 -0.2314 0.2547 136 PHE A CE2 533 C CZ . PHE A 113 ? 0.7086 0.9559 0.5267 -0.1279 -0.2347 0.2603 136 PHE A CZ 534 N N . ASP A 114 ? 0.7551 0.9301 0.7097 -0.0551 -0.2973 0.3074 137 ASP A N 535 C CA . ASP A 114 ? 0.8482 1.0064 0.8349 -0.0396 -0.3039 0.3130 137 ASP A CA 536 C C . ASP A 114 ? 0.8031 0.9448 0.8101 -0.0367 -0.2881 0.3040 137 ASP A C 537 O O . ASP A 114 ? 0.8337 0.9531 0.8526 -0.0324 -0.2889 0.3146 137 ASP A O 542 N N . GLN A 115 ? 0.8070 0.9588 0.8176 -0.0390 -0.2741 0.2845 138 GLN A N 543 C CA . GLN A 115 ? 0.7094 0.8479 0.7381 -0.0360 -0.2593 0.2745 138 GLN A CA 544 C C . GLN A 115 ? 0.6085 0.7519 0.6152 -0.0498 -0.2443 0.2677 138 GLN A C 545 O O . GLN A 115 ? 0.5940 0.7553 0.5782 -0.0586 -0.2430 0.2627 138 GLN A O 546 C CB . GLN A 115 ? 0.7104 0.8557 0.7691 -0.0232 -0.2563 0.2566 138 GLN A CB 547 C CG . GLN A 115 ? 0.8121 0.9594 0.8942 -0.0090 -0.2715 0.2611 138 GLN A CG 548 C CD . GLN A 115 ? 0.9079 1.0320 1.0138 0.0014 -0.2733 0.2692 138 GLN A CD 549 O OE1 . GLN A 115 ? 0.9754 1.0797 1.0745 -0.0038 -0.2682 0.2780 138 GLN A OE1 550 N NE2 . GLN A 115 ? 0.9027 1.0304 1.0377 0.0161 -0.2808 0.2654 138 GLN A NE2 551 N N . SER A 116 ? 0.5375 0.6657 0.5507 -0.0515 -0.2335 0.2671 139 SER A N 552 C CA . SER A 116 ? 0.5826 0.7162 0.5777 -0.0636 -0.2193 0.2607 139 SER A CA 553 C C . SER A 116 ? 0.4865 0.6373 0.4814 -0.0626 -0.2102 0.2401 139 SER A C 554 O O . SER A 116 ? 0.4589 0.6075 0.4770 -0.0519 -0.2071 0.2277 139 SER A O 555 C CB . SER A 116 ? 0.5051 0.6199 0.5125 -0.0634 -0.2105 0.2623 139 SER A CB 556 O OG . SER A 116 ? 0.6281 0.7283 0.6279 -0.0689 -0.2176 0.2819 139 SER A OG 557 N N . PRO A 117 ? 0.4909 0.6587 0.4601 -0.0734 -0.2059 0.2355 140 PRO A N 558 C CA . PRO A 117 ? 0.4594 0.6400 0.4279 -0.0731 -0.1953 0.2153 140 PRO A CA 559 C C . PRO A 117 ? 0.4284 0.6003 0.4051 -0.0728 -0.1810 0.2081 140 PRO A C 560 O O . PRO A 117 ? 0.4996 0.6622 0.4725 -0.0784 -0.1774 0.2180 140 PRO A O 561 C CB . PRO A 117 ? 0.4792 0.6783 0.4161 -0.0860 -0.1941 0.2140 140 PRO A CB 562 C CG . PRO A 117 ? 0.5229 0.7204 0.4445 -0.0921 -0.2061 0.2341 140 PRO A CG 563 C CD . PRO A 117 ? 0.5271 0.7029 0.4663 -0.0867 -0.2098 0.2480 140 PRO A CD 564 N N . LEU A 118 ? 0.3976 0.5729 0.3854 -0.0665 -0.1734 0.1908 141 LEU A N 565 C CA . LEU A 118 ? 0.3671 0.5350 0.3632 -0.0646 -0.1606 0.1826 141 LEU A CA 566 C C . LEU A 118 ? 0.3531 0.5361 0.3335 -0.0696 -0.1506 0.1680 141 LEU A C 567 O O . LEU A 118 ? 0.3497 0.5429 0.3279 -0.0678 -0.1522 0.1568 141 LEU A O 568 C CB . LEU A 118 ? 0.3433 0.4992 0.3681 -0.0515 -0.1597 0.1751 141 LEU A CB 569 C CG . LEU A 118 ? 0.3586 0.5086 0.3909 -0.0485 -0.1469 0.1641 141 LEU A CG 570 C CD1 . LEU A 118 ? 0.3160 0.4584 0.3424 -0.0551 -0.1421 0.1734 141 LEU A CD1 571 C CD2 . LEU A 118 ? 0.3457 0.4843 0.4050 -0.0364 -0.1462 0.1571 141 LEU A CD2 572 N N . ILE A 119 ? 0.3471 0.5324 0.3172 -0.0762 -0.1408 0.1677 142 ILE A N 573 C CA . ILE A 119 ? 0.3342 0.5337 0.2911 -0.0796 -0.1304 0.1530 142 ILE A CA 574 C C . ILE A 119 ? 0.3042 0.4959 0.2747 -0.0733 -0.1207 0.1447 142 ILE A C 575 O O . ILE A 119 ? 0.3012 0.4839 0.2784 -0.0743 -0.1184 0.1531 142 ILE A O 576 C CB . ILE A 119 ? 0.3562 0.5710 0.2873 -0.0932 -0.1265 0.1576 142 ILE A CB 577 C CG1 . ILE A 119 ? 0.3882 0.6118 0.3031 -0.0994 -0.1363 0.1641 142 ILE A CG1 578 C CG2 . ILE A 119 ? 0.3421 0.5716 0.2626 -0.0952 -0.1143 0.1409 142 ILE A CG2 579 C CD1 . ILE A 119 ? 0.4117 0.6520 0.3000 -0.1132 -0.1314 0.1665 142 ILE A CD1 580 N N . LEU A 120 ? 0.2891 0.4842 0.2632 -0.0674 -0.1155 0.1285 143 LEU A N 581 C CA . LEU A 120 ? 0.2953 0.4842 0.2802 -0.0608 -0.1067 0.1195 143 LEU A CA 582 C C . LEU A 120 ? 0.3072 0.5125 0.2753 -0.0651 -0.0976 0.1077 143 LEU A C 583 O O . LEU A 120 ? 0.2613 0.4760 0.2206 -0.0656 -0.0971 0.0959 143 LEU A O 584 C CB . LEU A 120 ? 0.2393 0.4177 0.2439 -0.0498 -0.1079 0.1103 143 LEU A CB 585 C CG . LEU A 120 ? 0.3028 0.4751 0.3162 -0.0431 -0.0990 0.1004 143 LEU A CG 586 C CD1 . LEU A 120 ? 0.2077 0.3672 0.2323 -0.0407 -0.0964 0.1084 143 LEU A CD1 587 C CD2 . LEU A 120 ? 0.2039 0.3703 0.2324 -0.0353 -0.1004 0.0907 143 LEU A CD2 588 N N . PHE A 121 ? 0.2577 0.4680 0.2218 -0.0687 -0.0906 0.1103 144 PHE A N 589 C CA . PHE A 121 ? 0.2525 0.4821 0.2010 -0.0732 -0.0813 0.0996 144 PHE A CA 590 C C . PHE A 121 ? 0.2655 0.4929 0.2250 -0.0648 -0.0741 0.0903 144 PHE A C 591 O O . PHE A 121 ? 0.2914 0.5120 0.2610 -0.0639 -0.0732 0.0980 144 PHE A O 592 C CB . PHE A 121 ? 0.2728 0.5163 0.2065 -0.0860 -0.0789 0.1099 144 PHE A CB 593 C CG . PHE A 121 ? 0.2889 0.5562 0.2061 -0.0913 -0.0685 0.0973 144 PHE A CG 594 C CD1 . PHE A 121 ? 0.3027 0.5762 0.2195 -0.0836 -0.0623 0.0779 144 PHE A CD1 595 C CD2 . PHE A 121 ? 0.4314 0.7154 0.3340 -0.1043 -0.0645 0.1039 144 PHE A CD2 596 C CE1 . PHE A 121 ? 0.3368 0.6324 0.2402 -0.0870 -0.0520 0.0640 144 PHE A CE1 597 C CE2 . PHE A 121 ? 0.4289 0.7368 0.3183 -0.1086 -0.0534 0.0899 144 PHE A CE2 598 C CZ . PHE A 121 ? 0.3945 0.7079 0.2853 -0.0991 -0.0471 0.0694 144 PHE A CZ 599 N N . SER A 122 ? 0.3390 0.5717 0.2963 -0.0588 -0.0697 0.0736 145 SER A N 600 C CA . SER A 122 ? 0.2437 0.4751 0.2106 -0.0495 -0.0637 0.0638 145 SER A CA 601 C C . SER A 122 ? 0.2029 0.4573 0.1568 -0.0512 -0.0544 0.0514 145 SER A C 602 O O . SER A 122 ? 0.2514 0.5177 0.1906 -0.0547 -0.0517 0.0410 145 SER A O 603 C CB . SER A 122 ? 0.1868 0.4056 0.1638 -0.0400 -0.0658 0.0537 145 SER A CB 604 O OG . SER A 122 ? 0.2054 0.4231 0.1880 -0.0308 -0.0584 0.0421 145 SER A OG 605 N N . MET A 123 ? 0.1924 0.4531 0.1528 -0.0484 -0.0491 0.0507 146 MET A N 606 C CA . MET A 123 ? 0.1948 0.4732 0.1499 -0.0461 -0.0376 0.0355 146 MET A CA 607 C C . MET A 123 ? 0.1779 0.4419 0.1487 -0.0305 -0.0331 0.0234 146 MET A C 608 O O . MET A 123 ? 0.1944 0.4505 0.1789 -0.0263 -0.0335 0.0287 146 MET A O 609 C CB . MET A 123 ? 0.2011 0.4988 0.1529 -0.0561 -0.0331 0.0437 146 MET A CB 610 C CG . MET A 123 ? 0.2237 0.5372 0.1558 -0.0715 -0.0341 0.0523 146 MET A CG 611 S SD . MET A 123 ? 0.2990 0.6309 0.2310 -0.0843 -0.0287 0.0644 146 MET A SD 612 C CE . MET A 123 ? 0.4794 0.8026 0.4022 -0.1002 -0.0360 0.0861 146 MET A CE 613 N N . ASP A 124 ? 0.1995 0.4589 0.1673 -0.0225 -0.0294 0.0073 147 ASP A N 614 C CA . ASP A 124 ? 0.2389 0.4793 0.2189 -0.0079 -0.0271 -0.0017 147 ASP A CA 615 C C . ASP A 124 ? 0.1725 0.4224 0.1620 -0.0007 -0.0210 -0.0060 147 ASP A C 616 O O . ASP A 124 ? 0.1688 0.4422 0.1546 -0.0024 -0.0142 -0.0137 147 ASP A O 617 C CB . ASP A 124 ? 0.2361 0.4692 0.2092 -0.0020 -0.0237 -0.0184 147 ASP A CB 618 C CG . ASP A 124 ? 0.2599 0.4659 0.2428 0.0101 -0.0241 -0.0227 147 ASP A CG 619 O OD1 . ASP A 124 ? 0.1937 0.3947 0.1866 0.0189 -0.0223 -0.0217 147 ASP A OD1 620 O OD2 . ASP A 124 ? 0.2419 0.4324 0.2220 0.0096 -0.0265 -0.0265 147 ASP A OD2 621 N N . GLY A 125 ? 0.1484 0.3823 0.1506 0.0066 -0.0236 -0.0013 148 GLY A N 622 C CA . GLY A 125 ? 0.1597 0.4019 0.1718 0.0147 -0.0196 -0.0063 148 GLY A CA 623 C C . GLY A 125 ? 0.2216 0.4858 0.2381 0.0052 -0.0185 0.0015 148 GLY A C 624 O O . GLY A 125 ? 0.1725 0.4524 0.1974 0.0104 -0.0142 -0.0054 148 GLY A O 625 N N . PHE A 126 ? 0.1577 0.4228 0.1698 -0.0087 -0.0228 0.0160 149 PHE A N 626 C CA . PHE A 126 ? 0.1556 0.4387 0.1702 -0.0208 -0.0217 0.0255 149 PHE A CA 627 C C . PHE A 126 ? 0.2030 0.4715 0.2317 -0.0185 -0.0261 0.0325 149 PHE A C 628 O O . PHE A 126 ? 0.1335 0.3834 0.1638 -0.0230 -0.0327 0.0447 149 PHE A O 629 C CB . PHE A 126 ? 0.1747 0.4618 0.1760 -0.0364 -0.0251 0.0389 149 PHE A CB 630 C CG . PHE A 126 ? 0.1691 0.4774 0.1676 -0.0515 -0.0219 0.0479 149 PHE A CG 631 C CD1 . PHE A 126 ? 0.1965 0.5055 0.2088 -0.0542 -0.0218 0.0528 149 PHE A CD1 632 C CD2 . PHE A 126 ? 0.1874 0.5145 0.1685 -0.0647 -0.0191 0.0520 149 PHE A CD2 633 C CE1 . PHE A 126 ? 0.1741 0.5011 0.1844 -0.0700 -0.0184 0.0616 149 PHE A CE1 634 C CE2 . PHE A 126 ? 0.2482 0.5940 0.2254 -0.0808 -0.0152 0.0620 149 PHE A CE2 635 C CZ . PHE A 126 ? 0.1927 0.5375 0.1856 -0.0834 -0.0148 0.0668 149 PHE A CZ 636 N N . ARG A 127 ? 0.2301 0.5080 0.2695 -0.0112 -0.0229 0.0241 150 ARG A N 637 C CA . ARG A 127 ? 0.1648 0.4291 0.2160 -0.0086 -0.0273 0.0284 150 ARG A CA 638 C C . ARG A 127 ? 0.2108 0.4815 0.2660 -0.0243 -0.0288 0.0405 150 ARG A C 639 O O . ARG A 127 ? 0.1716 0.4652 0.2233 -0.0360 -0.0245 0.0431 150 ARG A O 640 C CB . ARG A 127 ? 0.1121 0.3849 0.1729 0.0042 -0.0252 0.0160 150 ARG A CB 641 C CG . ARG A 127 ? 0.1136 0.4199 0.1836 -0.0004 -0.0205 0.0108 150 ARG A CG 642 C CD . ARG A 127 ? 0.1110 0.4212 0.1883 0.0164 -0.0196 -0.0027 150 ARG A CD 643 N NE . ARG A 127 ? 0.1332 0.4630 0.2199 0.0130 -0.0168 -0.0070 150 ARG A NE 644 C CZ . ARG A 127 ? 0.1898 0.5156 0.2827 0.0243 -0.0189 -0.0146 150 ARG A CZ 645 N NH1 . ARG A 127 ? 0.1367 0.4377 0.2256 0.0389 -0.0232 -0.0173 150 ARG A NH1 646 N NH2 . ARG A 127 ? 0.1210 0.4671 0.2235 0.0200 -0.0170 -0.0184 150 ARG A NH2 647 N N . ALA A 128 ? 0.2503 0.4990 0.3121 -0.0251 -0.0347 0.0480 151 ALA A N 648 C CA . ALA A 128 ? 0.2455 0.4925 0.3119 -0.0395 -0.0371 0.0599 151 ALA A CA 649 C C . ALA A 128 ? 0.1472 0.4219 0.2203 -0.0478 -0.0322 0.0562 151 ALA A C 650 O O . ALA A 128 ? 0.2003 0.4831 0.2722 -0.0639 -0.0311 0.0662 151 ALA A O 651 C CB . ALA A 128 ? 0.1230 0.3431 0.1982 -0.0360 -0.0429 0.0630 151 ALA A CB 652 N N . GLU A 129 ? 0.1541 0.4438 0.2349 -0.0373 -0.0294 0.0425 152 GLU A N 653 C CA . GLU A 129 ? 0.1957 0.5144 0.2856 -0.0442 -0.0246 0.0371 152 GLU A CA 654 C C . GLU A 129 ? 0.1367 0.4840 0.2202 -0.0548 -0.0168 0.0377 152 GLU A C 655 O O . GLU A 129 ? 0.1438 0.5080 0.2302 -0.0675 -0.0122 0.0391 152 GLU A O 656 C CB . GLU A 129 ? 0.2047 0.5267 0.3005 -0.0276 -0.0236 0.0217 152 GLU A CB 657 C CG . GLU A 129 ? 0.5054 0.8129 0.6096 -0.0263 -0.0291 0.0210 152 GLU A CG 658 C CD . GLU A 129 ? 0.5951 0.9020 0.7031 -0.0103 -0.0305 0.0086 152 GLU A CD 659 O OE1 . GLU A 129 ? 0.5688 0.8535 0.6718 0.0024 -0.0345 0.0066 152 GLU A OE1 660 O OE2 . GLU A 129 ? 0.5433 0.8722 0.6589 -0.0114 -0.0276 0.0017 152 GLU A OE2 661 N N . TYR A 130 ? 0.1572 0.5064 0.2289 -0.0494 -0.0143 0.0350 153 TYR A N 662 C CA . TYR A 130 ? 0.1677 0.5456 0.2309 -0.0600 -0.0058 0.0339 153 TYR A CA 663 C C . TYR A 130 ? 0.2084 0.5859 0.2643 -0.0820 -0.0060 0.0513 153 TYR A C 664 O O . TYR A 130 ? 0.2380 0.6405 0.2915 -0.0953 0.0014 0.0519 153 TYR A O 665 C CB . TYR A 130 ? 0.1628 0.5360 0.2106 -0.0526 -0.0042 0.0290 153 TYR A CB 666 C CG . TYR A 130 ? 0.1612 0.5346 0.2139 -0.0321 -0.0025 0.0117 153 TYR A CG 667 C CD1 . TYR A 130 ? 0.1361 0.5299 0.2053 -0.0218 0.0009 -0.0016 153 TYR A CD1 668 C CD2 . TYR A 130 ? 0.1423 0.4960 0.1836 -0.0232 -0.0048 0.0086 153 TYR A CD2 669 C CE1 . TYR A 130 ? 0.1468 0.5374 0.2197 -0.0021 0.0014 -0.0160 153 TYR A CE1 670 C CE2 . TYR A 130 ? 0.1700 0.5194 0.2144 -0.0056 -0.0033 -0.0061 153 TYR A CE2 671 C CZ . TYR A 130 ? 0.1599 0.5260 0.2194 0.0055 -0.0004 -0.0177 153 TYR A CZ 672 O OH . TYR A 130 ? 0.1533 0.5110 0.2147 0.0237 0.0001 -0.0308 153 TYR A OH 673 N N . LEU A 131 ? 0.2616 0.6068 0.3128 -0.0850 -0.0147 0.0654 154 LEU A N 674 C CA . LEU A 131 ? 0.2441 0.5818 0.2875 -0.1042 -0.0171 0.0842 154 LEU A CA 675 C C . LEU A 131 ? 0.2384 0.5814 0.2956 -0.1163 -0.0159 0.0878 154 LEU A C 676 O O . LEU A 131 ? 0.2631 0.6127 0.3133 -0.1346 -0.0129 0.0986 154 LEU A O 677 C CB . LEU A 131 ? 0.1873 0.4880 0.2257 -0.1006 -0.0277 0.0967 154 LEU A CB 678 C CG . LEU A 131 ? 0.2460 0.5336 0.2747 -0.1176 -0.0325 0.1181 154 LEU A CG 679 C CD1 . LEU A 131 ? 0.3481 0.6573 0.3558 -0.1280 -0.0277 0.1226 154 LEU A CD1 680 C CD2 . LEU A 131 ? 0.2616 0.5129 0.2921 -0.1111 -0.0439 0.1288 154 LEU A CD2 681 N N . GLU A 132 ? 0.2241 0.5610 0.2981 -0.1061 -0.0187 0.0782 155 GLU A N 682 C CA . GLU A 132 ? 0.2083 0.5411 0.2929 -0.1163 -0.0193 0.0804 155 GLU A CA 683 C C . GLU A 132 ? 0.2486 0.6106 0.3343 -0.1228 -0.0101 0.0713 155 GLU A C 684 O O . GLU A 132 ? 0.3199 0.6824 0.4054 -0.1393 -0.0081 0.0783 155 GLU A O 685 C CB . GLU A 132 ? 0.3088 0.6257 0.4076 -0.1030 -0.0255 0.0715 155 GLU A CB 686 C CG . GLU A 132 ? 0.3838 0.7046 0.4948 -0.1078 -0.0249 0.0648 155 GLU A CG 687 C CD . GLU A 132 ? 0.5403 0.8547 0.6606 -0.0904 -0.0293 0.0513 155 GLU A CD 688 O OE1 . GLU A 132 ? 0.5096 0.8070 0.6265 -0.0773 -0.0339 0.0511 155 GLU A OE1 689 O OE2 . GLU A 132 ? 0.5809 0.9072 0.7108 -0.0900 -0.0285 0.0413 155 GLU A OE2 690 N N . THR A 133 ? 0.1815 0.5667 0.2680 -0.1102 -0.0044 0.0557 156 THR A N 691 C CA . THR A 133 ? 0.1905 0.6049 0.2817 -0.1133 0.0038 0.0445 156 THR A CA 692 C C . THR A 133 ? 0.2194 0.6562 0.2959 -0.1215 0.0124 0.0447 156 THR A C 693 O O . THR A 133 ? 0.2875 0.7447 0.3656 -0.1321 0.0190 0.0416 156 THR A O 694 C CB . THR A 133 ? 0.2767 0.7009 0.3808 -0.0926 0.0037 0.0261 156 THR A CB 695 O OG1 . THR A 133 ? 0.2943 0.7216 0.3910 -0.0783 0.0053 0.0193 156 THR A OG1 696 C CG2 . THR A 133 ? 0.2907 0.6904 0.4049 -0.0838 -0.0056 0.0259 156 THR A CG2 697 N N . TRP A 134 ? 0.2039 0.6387 0.2663 -0.1174 0.0126 0.0472 157 TRP A N 698 C CA . TRP A 134 ? 0.2375 0.6941 0.2844 -0.1244 0.0205 0.0446 157 TRP A CA 699 C C . TRP A 134 ? 0.2414 0.6867 0.2674 -0.1421 0.0183 0.0638 157 TRP A C 700 O O . TRP A 134 ? 0.2688 0.7281 0.2786 -0.1464 0.0230 0.0617 157 TRP A O 701 C CB . TRP A 134 ? 0.2837 0.7492 0.3267 -0.1077 0.0231 0.0308 157 TRP A CB 702 C CG . TRP A 134 ? 0.2407 0.7117 0.3006 -0.0874 0.0235 0.0130 157 TRP A CG 703 C CD1 . TRP A 134 ? 0.2696 0.7296 0.3322 -0.0685 0.0201 0.0050 157 TRP A CD1 704 C CD2 . TRP A 134 ? 0.1946 0.6814 0.2708 -0.0828 0.0265 0.0013 157 TRP A CD2 705 N NE1 . TRP A 134 ? 0.3046 0.7692 0.3825 -0.0521 0.0200 -0.0097 157 TRP A NE1 706 C CE2 . TRP A 134 ? 0.2435 0.7260 0.3304 -0.0603 0.0237 -0.0124 157 TRP A CE2 707 C CE3 . TRP A 134 ? 0.2903 0.7940 0.3733 -0.0957 0.0307 0.0014 157 TRP A CE3 708 C CZ2 . TRP A 134 ? 0.2183 0.7124 0.3218 -0.0502 0.0240 -0.0247 157 TRP A CZ2 709 C CZ3 . TRP A 134 ? 0.3119 0.8302 0.4131 -0.0862 0.0319 -0.0120 157 TRP A CZ3 710 C CH2 . TRP A 134 ? 0.3189 0.8326 0.4301 -0.0634 0.0281 -0.0246 157 TRP A CH2 711 N N . ASP A 135 ? 0.2457 0.6638 0.2714 -0.1513 0.0103 0.0818 158 ASP A N 712 C CA . ASP A 135 ? 0.3191 0.7204 0.3245 -0.1638 0.0051 0.1011 158 ASP A CA 713 C C . ASP A 135 ? 0.3057 0.7250 0.2946 -0.1793 0.0116 0.1033 158 ASP A C 714 O O . ASP A 135 ? 0.3123 0.7307 0.2816 -0.1840 0.0099 0.1099 158 ASP A O 715 C CB . ASP A 135 ? 0.2713 0.6383 0.2816 -0.1706 -0.0048 0.1193 158 ASP A CB 716 C CG . ASP A 135 ? 0.3874 0.7532 0.4091 -0.1811 -0.0024 0.1198 158 ASP A CG 717 O OD1 . ASP A 135 ? 0.3757 0.7684 0.4051 -0.1812 0.0062 0.1053 158 ASP A OD1 718 O OD2 . ASP A 135 ? 0.4869 0.8242 0.5113 -0.1888 -0.0095 0.1339 158 ASP A OD2 719 N N . THR A 136 ? 0.3065 0.7441 0.3038 -0.1870 0.0193 0.0962 159 THR A N 720 C CA . THR A 136 ? 0.3375 0.7940 0.3203 -0.2027 0.0266 0.0978 159 THR A CA 721 C C . THR A 136 ? 0.3380 0.8231 0.3130 -0.1961 0.0347 0.0812 159 THR A C 722 O O . THR A 136 ? 0.3655 0.8652 0.3254 -0.2088 0.0403 0.0827 159 THR A O 723 C CB . THR A 136 ? 0.3660 0.8365 0.3610 -0.2138 0.0336 0.0941 159 THR A CB 724 O OG1 . THR A 136 ? 0.3721 0.8684 0.3868 -0.2008 0.0403 0.0724 159 THR A OG1 725 C CG2 . THR A 136 ? 0.3538 0.7958 0.3577 -0.2215 0.0266 0.1081 159 THR A CG2 726 N N . LEU A 137 ? 0.3114 0.8042 0.2966 -0.1768 0.0357 0.0650 160 LEU A N 727 C CA . LEU A 137 ? 0.3133 0.8272 0.2910 -0.1689 0.0422 0.0489 160 LEU A CA 728 C C . LEU A 137 ? 0.3165 0.8155 0.2747 -0.1678 0.0361 0.0564 160 LEU A C 729 O O . LEU A 137 ? 0.3210 0.8338 0.2711 -0.1622 0.0408 0.0433 160 LEU A O 730 C CB . LEU A 137 ? 0.2877 0.8135 0.2856 -0.1475 0.0455 0.0275 160 LEU A CB 731 C CG . LEU A 137 ? 0.3554 0.9102 0.3697 -0.1440 0.0548 0.0098 160 LEU A CG 732 C CD1 . LEU A 137 ? 0.3255 0.8919 0.3391 -0.1646 0.0595 0.0179 160 LEU A CD1 733 C CD2 . LEU A 137 ? 0.2656 0.8175 0.3039 -0.1250 0.0518 -0.0013 160 LEU A CD2 734 N N . MET A 138 ? 0.3167 0.7870 0.2683 -0.1728 0.0255 0.0765 161 MET A N 735 C CA . MET A 138 ? 0.3188 0.7724 0.2549 -0.1704 0.0177 0.0845 161 MET A CA 736 C C . MET A 138 ? 0.3454 0.7787 0.2672 -0.1867 0.0093 0.1083 161 MET A C 737 O O . MET A 138 ? 0.3402 0.7451 0.2654 -0.1857 -0.0014 0.1239 161 MET A O 738 C CB . MET A 138 ? 0.2884 0.7238 0.2356 -0.1539 0.0114 0.0832 161 MET A CB 739 C CG . MET A 138 ? 0.2639 0.7156 0.2265 -0.1357 0.0187 0.0602 161 MET A CG 740 S SD . MET A 138 ? 0.2319 0.6623 0.2060 -0.1172 0.0123 0.0594 161 MET A SD 741 C CE . MET A 138 ? 0.2658 0.6827 0.2632 -0.1199 0.0076 0.0698 161 MET A CE 742 N N . PRO A 139 ? 0.3771 0.8238 0.2839 -0.2018 0.0140 0.1114 162 PRO A N 743 C CA . PRO A 139 ? 0.4072 0.8340 0.3016 -0.2177 0.0065 0.1346 162 PRO A CA 744 C C . PRO A 139 ? 0.4105 0.8078 0.2967 -0.2143 -0.0077 0.1504 162 PRO A C 745 O O . PRO A 139 ? 0.4208 0.7912 0.3091 -0.2193 -0.0170 0.1689 162 PRO A O 746 C CB . PRO A 139 ? 0.4420 0.8919 0.3178 -0.2324 0.0149 0.1324 162 PRO A CB 747 C CG . PRO A 139 ? 0.4290 0.9089 0.3074 -0.2226 0.0258 0.1072 162 PRO A CG 748 C CD . PRO A 139 ? 0.3901 0.8701 0.2922 -0.2054 0.0269 0.0943 162 PRO A CD 749 N N . ASN A 140 ? 0.4025 0.8028 0.2819 -0.2049 -0.0097 0.1425 163 ASN A N 750 C CA . ASN A 140 ? 0.4093 0.7838 0.2817 -0.2019 -0.0231 0.1564 163 ASN A CA 751 C C . ASN A 140 ? 0.3829 0.7306 0.2738 -0.1898 -0.0322 0.1626 163 ASN A C 752 O O . ASN A 140 ? 0.3942 0.7146 0.2867 -0.1914 -0.0436 0.1802 163 ASN A O 753 C CB . ASN A 140 ? 0.4107 0.7963 0.2709 -0.1960 -0.0219 0.1445 163 ASN A CB 754 C CG . ASN A 140 ? 0.4452 0.8522 0.2840 -0.2098 -0.0153 0.1423 163 ASN A CG 755 O OD1 . ASN A 140 ? 0.4772 0.8749 0.3007 -0.2214 -0.0217 0.1590 163 ASN A OD1 756 N ND2 . ASN A 140 ? 0.4412 0.8765 0.2791 -0.2082 -0.0023 0.1215 163 ASN A ND2 757 N N . ILE A 141 ? 0.3499 0.7048 0.2553 -0.1769 -0.0270 0.1477 164 ILE A N 758 C CA . ILE A 141 ? 0.3256 0.6571 0.2483 -0.1658 -0.0342 0.1523 164 ILE A CA 759 C C . ILE A 141 ? 0.3326 0.6486 0.2655 -0.1741 -0.0369 0.1657 164 ILE A C 760 O O . ILE A 141 ? 0.3302 0.6172 0.2728 -0.1701 -0.0471 0.1777 164 ILE A O 761 C CB . ILE A 141 ? 0.3720 0.7174 0.3054 -0.1513 -0.0266 0.1331 164 ILE A CB 762 C CG1 . ILE A 141 ? 0.3671 0.7198 0.2904 -0.1420 -0.0256 0.1197 164 ILE A CG1 763 C CG2 . ILE A 141 ? 0.2701 0.5933 0.2207 -0.1410 -0.0326 0.1377 164 ILE A CG2 764 C CD1 . ILE A 141 ? 0.3103 0.6783 0.2412 -0.1274 -0.0170 0.0981 164 ILE A CD1 765 N N . ASN A 142 ? 0.3435 0.6778 0.2757 -0.1853 -0.0277 0.1623 165 ASN A N 766 C CA . ASN A 142 ? 0.3531 0.6724 0.2950 -0.1941 -0.0292 0.1727 165 ASN A CA 767 C C . ASN A 142 ? 0.3858 0.6777 0.3181 -0.2036 -0.0398 0.1940 165 ASN A C 768 O O . ASN A 142 ? 0.3897 0.6538 0.3330 -0.2039 -0.0469 0.2048 165 ASN A O 769 C CB . ASN A 142 ? 0.3605 0.7075 0.3036 -0.2039 -0.0163 0.1623 165 ASN A CB 770 C CG . ASN A 142 ? 0.3585 0.6949 0.3188 -0.2086 -0.0153 0.1645 165 ASN A CG 771 O OD1 . ASN A 142 ? 0.5184 0.8669 0.4780 -0.2212 -0.0082 0.1636 165 ASN A OD1 772 N ND2 . ASN A 142 ? 0.3383 0.6522 0.3144 -0.1990 -0.0219 0.1666 165 ASN A ND2 773 N N . LYS A 143 ? 0.4120 0.7109 0.3244 -0.2111 -0.0410 0.1995 166 LYS A N 774 C CA . LYS A 143 ? 0.4453 0.7183 0.3485 -0.2184 -0.0518 0.2199 166 LYS A CA 775 C C . LYS A 143 ? 0.4333 0.6771 0.3473 -0.2044 -0.0652 0.2268 166 LYS A C 776 O O . LYS A 143 ? 0.4472 0.6613 0.3688 -0.2044 -0.0742 0.2405 166 LYS A O 777 C CB . LYS A 143 ? 0.4758 0.7642 0.3546 -0.2283 -0.0504 0.2233 166 LYS A CB 778 C CG . LYS A 143 ? 0.5119 0.7732 0.3805 -0.2338 -0.0629 0.2449 166 LYS A CG 779 C CD . LYS A 143 ? 0.5833 0.8587 0.4260 -0.2442 -0.0624 0.2498 166 LYS A CD 780 C CE . LYS A 143 ? 0.5938 0.8400 0.4279 -0.2478 -0.0762 0.2724 166 LYS A CE 781 N NZ . LYS A 143 ? 0.6749 0.9306 0.4864 -0.2511 -0.0803 0.2764 166 LYS A NZ 782 N N . LEU A 144 ? 0.4668 0.7188 0.3826 -0.1918 -0.0659 0.2160 167 LEU A N 783 C CA . LEU A 144 ? 0.4364 0.6645 0.3666 -0.1766 -0.0761 0.2179 167 LEU A CA 784 C C . LEU A 144 ? 0.4455 0.6539 0.3970 -0.1711 -0.0778 0.2191 167 LEU A C 785 O O . LEU A 144 ? 0.4076 0.5867 0.3704 -0.1657 -0.0878 0.2288 167 LEU A O 786 C CB . LEU A 144 ? 0.4115 0.6553 0.3411 -0.1647 -0.0726 0.2018 167 LEU A CB 787 C CG . LEU A 144 ? 0.4491 0.6746 0.3840 -0.1523 -0.0828 0.2035 167 LEU A CG 788 C CD1 . LEU A 144 ? 0.4311 0.6484 0.3527 -0.1598 -0.0916 0.2180 167 LEU A CD1 789 C CD2 . LEU A 144 ? 0.4497 0.6916 0.3814 -0.1426 -0.0774 0.1856 167 LEU A CD2 790 N N . LYS A 145 ? 0.4352 0.6598 0.3931 -0.1720 -0.0676 0.2080 168 LYS A N 791 C CA . LYS A 145 ? 0.4318 0.6388 0.4092 -0.1684 -0.0684 0.2081 168 LYS A CA 792 C C . LYS A 145 ? 0.5464 0.7308 0.5259 -0.1794 -0.0726 0.2218 168 LYS A C 793 O O . LYS A 145 ? 0.5903 0.7458 0.5852 -0.1740 -0.0793 0.2266 168 LYS A O 794 C CB . LYS A 145 ? 0.4003 0.6331 0.3844 -0.1687 -0.0558 0.1927 168 LYS A CB 795 C CG . LYS A 145 ? 0.4069 0.6233 0.4127 -0.1655 -0.0560 0.1903 168 LYS A CG 796 C CD . LYS A 145 ? 0.4414 0.6859 0.4585 -0.1619 -0.0447 0.1717 168 LYS A CD 797 C CE . LYS A 145 ? 0.4061 0.6791 0.4167 -0.1732 -0.0345 0.1644 168 LYS A CE 798 N NZ . LYS A 145 ? 0.4534 0.7166 0.4702 -0.1859 -0.0335 0.1689 168 LYS A NZ 799 N N . THR A 146 ? 0.4324 0.6287 0.3962 -0.1947 -0.0682 0.2274 169 THR A N 800 C CA . THR A 146 ? 0.4812 0.6557 0.4447 -0.2064 -0.0710 0.2406 169 THR A CA 801 C C . THR A 146 ? 0.4556 0.5977 0.4186 -0.2019 -0.0848 0.2563 169 THR A C 802 O O . THR A 146 ? 0.4776 0.5901 0.4513 -0.2022 -0.0901 0.2642 169 THR A O 803 C CB . THR A 146 ? 0.4973 0.6941 0.4428 -0.2243 -0.0620 0.2427 169 THR A CB 804 O OG1 . THR A 146 ? 0.4871 0.7193 0.4339 -0.2249 -0.0492 0.2251 169 THR A OG1 805 C CG2 . THR A 146 ? 0.4908 0.6683 0.4382 -0.2382 -0.0611 0.2531 169 THR A CG2 806 N N . CYS A 147 ? 0.5080 0.6554 0.4598 -0.1972 -0.0905 0.2598 170 CYS A N 807 C CA . CYS A 147 ? 0.5052 0.6276 0.4529 -0.1960 -0.1027 0.2757 170 CYS A CA 808 C C . CYS A 147 ? 0.4998 0.6024 0.4655 -0.1774 -0.1127 0.2739 170 CYS A C 809 O O . CYS A 147 ? 0.4961 0.5707 0.4689 -0.1731 -0.1225 0.2848 170 CYS A O 810 C CB . CYS A 147 ? 0.5371 0.6771 0.4603 -0.2039 -0.1034 0.2817 170 CYS A CB 811 S SG . CYS A 147 ? 0.6274 0.7895 0.5264 -0.2272 -0.0921 0.2861 170 CYS A SG 812 N N . GLY A 148 ? 0.4466 0.5631 0.4205 -0.1660 -0.1096 0.2594 171 GLY A N 813 C CA . GLY A 148 ? 0.4193 0.5214 0.4095 -0.1488 -0.1170 0.2552 171 GLY A CA 814 C C . GLY A 148 ? 0.3972 0.4817 0.4108 -0.1393 -0.1163 0.2481 171 GLY A C 815 O O . GLY A 148 ? 0.4074 0.4786 0.4267 -0.1458 -0.1146 0.2517 171 GLY A O 816 N N . THR A 149 ? 0.3698 0.4532 0.3966 -0.1242 -0.1175 0.2374 172 THR A N 817 C CA . THR A 149 ? 0.3464 0.4157 0.3947 -0.1133 -0.1163 0.2280 172 THR A CA 818 C C . THR A 149 ? 0.3616 0.4533 0.4077 -0.1099 -0.1074 0.2143 172 THR A C 819 O O . THR A 149 ? 0.3885 0.4974 0.4256 -0.1059 -0.1056 0.2079 172 THR A O 820 C CB . THR A 149 ? 0.3819 0.4323 0.4474 -0.0976 -0.1237 0.2254 172 THR A CB 821 O OG1 . THR A 149 ? 0.3799 0.4085 0.4489 -0.0990 -0.1323 0.2381 172 THR A OG1 822 C CG2 . THR A 149 ? 0.3437 0.3830 0.4296 -0.0861 -0.1206 0.2129 172 THR A CG2 823 N N . HIS A 150 ? 0.2999 0.3914 0.3533 -0.1119 -0.1017 0.2094 173 HIS A N 824 C CA . HIS A 150 ? 0.2708 0.3824 0.3226 -0.1073 -0.0940 0.1973 173 HIS A CA 825 C C . HIS A 150 ? 0.2542 0.3501 0.3257 -0.0983 -0.0923 0.1868 173 HIS A C 826 O O . HIS A 150 ? 0.3338 0.4083 0.4162 -0.1028 -0.0947 0.1923 173 HIS A O 827 C CB . HIS A 150 ? 0.3197 0.4609 0.3561 -0.1215 -0.0840 0.1959 173 HIS A CB 828 C CG . HIS A 150 ? 0.3602 0.5005 0.4054 -0.1319 -0.0778 0.1935 173 HIS A CG 829 N ND1 . HIS A 150 ? 0.4080 0.5372 0.4500 -0.1459 -0.0797 0.2055 173 HIS A ND1 830 C CD2 . HIS A 150 ? 0.2755 0.4265 0.3323 -0.1284 -0.0700 0.1758 173 HIS A CD2 831 C CE1 . HIS A 150 ? 0.4558 0.5890 0.5069 -0.1539 -0.0731 0.1991 173 HIS A CE1 832 N NE2 . HIS A 150 ? 0.5067 0.6553 0.5677 -0.1442 -0.0674 0.1815 173 HIS A NE2 833 N N . ALA A 151 ? 0.2541 0.3598 0.3301 -0.0850 -0.0875 0.1687 174 ALA A N 834 C CA . ALA A 151 ? 0.2527 0.3479 0.3443 -0.0756 -0.0840 0.1539 174 ALA A CA 835 C C . ALA A 151 ? 0.2113 0.3278 0.3001 -0.0801 -0.0747 0.1414 174 ALA A C 836 O O . ALA A 151 ? 0.2192 0.3614 0.2960 -0.0844 -0.0696 0.1389 174 ALA A O 837 C CB . ALA A 151 ? 0.2216 0.3132 0.3191 -0.0589 -0.0843 0.1426 174 ALA A CB 838 N N . LYS A 152 ? 0.1985 0.3054 0.2993 -0.0785 -0.0729 0.1325 175 LYS A N 839 C CA . LYS A 152 ? 0.2245 0.3527 0.3258 -0.0801 -0.0657 0.1190 175 LYS A CA 840 C C . LYS A 152 ? 0.2137 0.3598 0.3090 -0.0673 -0.0615 0.1061 175 LYS A C 841 O O . LYS A 152 ? 0.2209 0.3930 0.3116 -0.0693 -0.0559 0.0991 175 LYS A O 842 C CB . LYS A 152 ? 0.3220 0.4349 0.4363 -0.0789 -0.0662 0.1106 175 LYS A CB 843 C CG . LYS A 152 ? 0.4448 0.5429 0.5650 -0.0946 -0.0689 0.1212 175 LYS A CG 844 C CD . LYS A 152 ? 0.5599 0.6409 0.6927 -0.0937 -0.0697 0.1111 175 LYS A CD 845 C CE . LYS A 152 ? 0.7120 0.7786 0.8507 -0.1113 -0.0718 0.1207 175 LYS A CE 846 N NZ . LYS A 152 ? 0.7456 0.7917 0.8964 -0.1110 -0.0731 0.1098 175 LYS A NZ 847 N N . TYR A 153 ? 0.1610 0.2934 0.2571 -0.0542 -0.0639 0.1030 176 TYR A N 848 C CA . TYR A 153 ? 0.1467 0.2906 0.2356 -0.0432 -0.0606 0.0934 176 TYR A CA 849 C C . TYR A 153 ? 0.1710 0.2955 0.2632 -0.0335 -0.0645 0.0945 176 TYR A C 850 O O . TYR A 153 ? 0.1974 0.3015 0.2996 -0.0332 -0.0689 0.1000 176 TYR A O 851 C CB . TYR A 153 ? 0.1642 0.3187 0.2548 -0.0353 -0.0557 0.0781 176 TYR A CB 852 C CG . TYR A 153 ? 0.1839 0.3198 0.2822 -0.0270 -0.0567 0.0706 176 TYR A CG 853 C CD1 . TYR A 153 ? 0.1483 0.2702 0.2456 -0.0152 -0.0566 0.0659 176 TYR A CD1 854 C CD2 . TYR A 153 ? 0.1857 0.3200 0.2912 -0.0318 -0.0571 0.0671 176 TYR A CD2 855 C CE1 . TYR A 153 ? 0.2086 0.3152 0.3103 -0.0085 -0.0562 0.0588 176 TYR A CE1 856 C CE2 . TYR A 153 ? 0.2170 0.3358 0.3267 -0.0246 -0.0577 0.0589 176 TYR A CE2 857 C CZ . TYR A 153 ? 0.2472 0.3522 0.3541 -0.0128 -0.0569 0.0550 176 TYR A CZ 858 O OH . TYR A 153 ? 0.2287 0.3191 0.3374 -0.0065 -0.0562 0.0468 176 TYR A OH 859 N N . MET A 154 ? 0.1566 0.2882 0.2417 -0.0259 -0.0626 0.0887 177 MET A N 860 C CA . MET A 154 ? 0.1887 0.3062 0.2778 -0.0169 -0.0648 0.0871 177 MET A CA 861 C C . MET A 154 ? 0.2276 0.3446 0.3144 -0.0062 -0.0592 0.0730 177 MET A C 862 O O . MET A 154 ? 0.1740 0.3055 0.2518 -0.0042 -0.0551 0.0660 177 MET A O 863 C CB . MET A 154 ? 0.1918 0.3142 0.2725 -0.0195 -0.0672 0.0926 177 MET A CB 864 C CG . MET A 154 ? 0.2174 0.3226 0.3042 -0.0127 -0.0685 0.0904 177 MET A CG 865 S SD . MET A 154 ? 0.1843 0.2965 0.2613 -0.0149 -0.0710 0.0922 177 MET A SD 866 C CE . MET A 154 ? 0.1543 0.2861 0.2171 -0.0137 -0.0653 0.0815 177 MET A CE 867 N N . ARG A 155 ? 0.1585 0.2584 0.2532 0.0008 -0.0587 0.0688 178 ARG A N 868 C CA . ARG A 155 ? 0.1697 0.2661 0.2599 0.0101 -0.0535 0.0573 178 ARG A CA 869 C C . ARG A 155 ? 0.1332 0.2278 0.2196 0.0146 -0.0523 0.0549 178 ARG A C 870 O O . ARG A 155 ? 0.1252 0.2132 0.2165 0.0128 -0.0545 0.0590 178 ARG A O 871 C CB . ARG A 155 ? 0.1553 0.2354 0.2529 0.0140 -0.0523 0.0531 178 ARG A CB 872 C CG . ARG A 155 ? 0.1904 0.2652 0.2800 0.0228 -0.0472 0.0427 178 ARG A CG 873 C CD . ARG A 155 ? 0.1908 0.2526 0.2841 0.0247 -0.0458 0.0378 178 ARG A CD 874 N NE . ARG A 155 ? 0.1849 0.2490 0.2845 0.0179 -0.0491 0.0401 178 ARG A NE 875 C CZ . ARG A 155 ? 0.1354 0.1883 0.2469 0.0138 -0.0513 0.0435 178 ARG A CZ 876 N NH1 . ARG A 155 ? 0.1794 0.2196 0.3000 0.0172 -0.0504 0.0442 178 ARG A NH1 877 N NH2 . ARG A 155 ? 0.1724 0.2269 0.2883 0.0061 -0.0542 0.0455 178 ARG A NH2 878 N N . ALA A 156 ? 0.1259 0.2248 0.2022 0.0199 -0.0482 0.0468 179 ALA A N 879 C CA . ALA A 156 ? 0.1631 0.2584 0.2347 0.0234 -0.0462 0.0428 179 ALA A CA 880 C C . ALA A 156 ? 0.1887 0.2663 0.2632 0.0292 -0.0427 0.0385 179 ALA A C 881 O O . ALA A 156 ? 0.1693 0.2387 0.2479 0.0310 -0.0417 0.0379 179 ALA A O 882 C CB . ALA A 156 ? 0.1967 0.3015 0.2565 0.0268 -0.0430 0.0356 179 ALA A CB 883 N N . VAL A 157 ? 0.1683 0.2400 0.2399 0.0310 -0.0402 0.0348 180 VAL A N 884 C CA . VAL A 157 ? 0.1531 0.2091 0.2244 0.0353 -0.0350 0.0303 180 VAL A CA 885 C C . VAL A 157 ? 0.1473 0.1970 0.2037 0.0412 -0.0310 0.0241 180 VAL A C 886 O O . VAL A 157 ? 0.1526 0.2104 0.2020 0.0424 -0.0319 0.0217 180 VAL A O 887 C CB . VAL A 157 ? 0.1788 0.2306 0.2589 0.0326 -0.0340 0.0304 180 VAL A CB 888 C CG1 . VAL A 157 ? 0.1507 0.2064 0.2490 0.0294 -0.0385 0.0365 180 VAL A CG1 889 C CG2 . VAL A 157 ? 0.1333 0.1916 0.2072 0.0297 -0.0353 0.0281 180 VAL A CG2 890 N N . TYR A 158 ? 0.1715 0.2059 0.2228 0.0452 -0.0263 0.0214 181 TYR A N 891 C CA . TYR A 158 ? 0.1879 0.2114 0.2242 0.0517 -0.0232 0.0173 181 TYR A CA 892 C C . TYR A 158 ? 0.1863 0.1978 0.2188 0.0500 -0.0191 0.0148 181 TYR A C 893 O O . TYR A 158 ? 0.2280 0.2357 0.2688 0.0446 -0.0163 0.0155 181 TYR A O 894 C CB . TYR A 158 ? 0.2615 0.2737 0.2903 0.0558 -0.0209 0.0170 181 TYR A CB 895 C CG . TYR A 158 ? 0.2690 0.2697 0.2811 0.0637 -0.0200 0.0150 181 TYR A CG 896 C CD1 . TYR A 158 ? 0.2490 0.2596 0.2571 0.0704 -0.0248 0.0138 181 TYR A CD1 897 C CD2 . TYR A 158 ? 0.2009 0.1812 0.2020 0.0645 -0.0146 0.0149 181 TYR A CD2 898 C CE1 . TYR A 158 ? 0.2942 0.2941 0.2887 0.0797 -0.0255 0.0125 181 TYR A CE1 899 C CE2 . TYR A 158 ? 0.2244 0.1907 0.2090 0.0724 -0.0149 0.0149 181 TYR A CE2 900 C CZ . TYR A 158 ? 0.3081 0.2843 0.2901 0.0809 -0.0210 0.0138 181 TYR A CZ 901 O OH . TYR A 158 ? 0.2799 0.2422 0.2475 0.0904 -0.0227 0.0143 181 TYR A OH 902 N N . PRO A 159 ? 0.1680 0.1737 0.1898 0.0544 -0.0184 0.0110 182 PRO A N 903 C CA . PRO A 159 ? 0.2046 0.2179 0.2202 0.0619 -0.0216 0.0087 182 PRO A CA 904 C C . PRO A 159 ? 0.1998 0.2354 0.2227 0.0578 -0.0251 0.0079 182 PRO A C 905 O O . PRO A 159 ? 0.1830 0.2225 0.2105 0.0508 -0.0253 0.0079 182 PRO A O 906 C CB . PRO A 159 ? 0.2304 0.2253 0.2337 0.0681 -0.0188 0.0044 182 PRO A CB 907 C CG . PRO A 159 ? 0.2695 0.2560 0.2755 0.0597 -0.0153 0.0030 182 PRO A CG 908 C CD . PRO A 159 ? 0.2066 0.1971 0.2231 0.0522 -0.0143 0.0077 182 PRO A CD 909 N N . THR A 160 ? 0.1931 0.2445 0.2170 0.0612 -0.0279 0.0075 183 THR A N 910 C CA . THR A 160 ? 0.1661 0.2402 0.1955 0.0556 -0.0302 0.0080 183 THR A CA 911 C C . THR A 160 ? 0.2168 0.2961 0.2404 0.0573 -0.0284 0.0005 183 THR A C 912 O O . THR A 160 ? 0.1871 0.2804 0.2094 0.0619 -0.0279 -0.0047 183 THR A O 913 C CB . THR A 160 ? 0.1902 0.2800 0.2239 0.0567 -0.0327 0.0099 183 THR A CB 914 O OG1 . THR A 160 ? 0.2083 0.2961 0.2372 0.0675 -0.0325 0.0049 183 THR A OG1 915 C CG2 . THR A 160 ? 0.1344 0.2189 0.1747 0.0522 -0.0346 0.0164 183 THR A CG2 916 N N . LYS A 161 ? 0.2543 0.3236 0.2758 0.0527 -0.0272 -0.0012 184 LYS A N 917 C CA . LYS A 161 ? 0.2579 0.3270 0.2731 0.0524 -0.0252 -0.0099 184 LYS A CA 918 C C . LYS A 161 ? 0.2103 0.2935 0.2274 0.0410 -0.0279 -0.0081 184 LYS A C 919 O O . LYS A 161 ? 0.2269 0.3135 0.2515 0.0343 -0.0315 0.0005 184 LYS A O 920 C CB . LYS A 161 ? 0.2818 0.3241 0.2914 0.0558 -0.0219 -0.0141 184 LYS A CB 921 C CG . LYS A 161 ? 0.2710 0.2962 0.2753 0.0674 -0.0203 -0.0143 184 LYS A CG 922 C CD . LYS A 161 ? 0.2595 0.2923 0.2609 0.0775 -0.0202 -0.0217 184 LYS A CD 923 C CE . LYS A 161 ? 0.4083 0.4202 0.4033 0.0905 -0.0201 -0.0217 184 LYS A CE 924 N NZ . LYS A 161 ? 0.4031 0.3845 0.3891 0.0923 -0.0170 -0.0248 184 LYS A NZ 925 N N . THR A 162 ? 0.2288 0.3195 0.2389 0.0392 -0.0266 -0.0170 185 THR A N 926 C CA . THR A 162 ? 0.2377 0.3468 0.2460 0.0282 -0.0301 -0.0154 185 THR A CA 927 C C . THR A 162 ? 0.2178 0.3191 0.2305 0.0204 -0.0338 -0.0120 185 THR A C 928 O O . THR A 162 ? 0.2437 0.3562 0.2623 0.0131 -0.0397 -0.0024 185 THR A O 929 C CB . THR A 162 ? 0.2258 0.3459 0.2236 0.0282 -0.0269 -0.0279 185 THR A CB 930 O OG1 . THR A 162 ? 0.2563 0.3937 0.2535 0.0330 -0.0240 -0.0297 185 THR A OG1 931 C CG2 . THR A 162 ? 0.1764 0.3121 0.1686 0.0158 -0.0310 -0.0270 185 THR A CG2 932 N N . PHE A 163 ? 0.2059 0.2887 0.2169 0.0215 -0.0309 -0.0196 186 PHE A N 933 C CA . PHE A 163 ? 0.2455 0.3254 0.2630 0.0128 -0.0343 -0.0178 186 PHE A CA 934 C C . PHE A 163 ? 0.2357 0.3108 0.2668 0.0130 -0.0358 -0.0070 186 PHE A C 935 O O . PHE A 163 ? 0.2121 0.2969 0.2535 0.0064 -0.0415 -0.0009 186 PHE A O 936 C CB . PHE A 163 ? 0.2346 0.2949 0.2476 0.0119 -0.0299 -0.0290 186 PHE A CB 937 C CG . PHE A 163 ? 0.3025 0.3716 0.3065 0.0052 -0.0313 -0.0402 186 PHE A CG 938 C CD1 . PHE A 163 ? 0.2850 0.3685 0.2783 0.0076 -0.0305 -0.0461 186 PHE A CD1 939 C CD2 . PHE A 163 ? 0.3333 0.3980 0.3396 -0.0041 -0.0330 -0.0459 186 PHE A CD2 940 C CE1 . PHE A 163 ? 0.2933 0.3855 0.2765 0.0013 -0.0310 -0.0578 186 PHE A CE1 941 C CE2 . PHE A 163 ? 0.3650 0.4380 0.3615 -0.0110 -0.0347 -0.0576 186 PHE A CE2 942 C CZ . PHE A 163 ? 0.4074 0.4938 0.3912 -0.0081 -0.0335 -0.0639 186 PHE A CZ 943 N N . VAL A 164 ? 0.1896 0.2503 0.2210 0.0210 -0.0312 -0.0052 187 VAL A N 944 C CA . VAL A 164 ? 0.2206 0.2764 0.2635 0.0218 -0.0312 0.0030 187 VAL A CA 945 C C . VAL A 164 ? 0.1995 0.2734 0.2515 0.0184 -0.0380 0.0124 187 VAL A C 946 O O . VAL A 164 ? 0.1813 0.2587 0.2467 0.0145 -0.0416 0.0178 187 VAL A O 947 C CB . VAL A 164 ? 0.1832 0.2246 0.2205 0.0309 -0.0263 0.0033 187 VAL A CB 948 C CG1 . VAL A 164 ? 0.1587 0.1960 0.2061 0.0312 -0.0256 0.0099 187 VAL A CG1 949 C CG2 . VAL A 164 ? 0.1802 0.2003 0.2062 0.0353 -0.0206 -0.0041 187 VAL A CG2 950 N N . ASN A 165 ? 0.1732 0.2587 0.2189 0.0198 -0.0397 0.0144 188 ASN A N 951 C CA . ASN A 165 ? 0.1216 0.2197 0.1744 0.0165 -0.0454 0.0247 188 ASN A CA 952 C C . ASN A 165 ? 0.1209 0.2343 0.1745 0.0080 -0.0528 0.0296 188 ASN A C 953 O O . ASN A 165 ? 0.1899 0.3072 0.2544 0.0050 -0.0591 0.0395 188 ASN A O 954 C CB . ASN A 165 ? 0.1541 0.2595 0.2003 0.0196 -0.0437 0.0251 188 ASN A CB 955 C CG . ASN A 165 ? 0.1932 0.2869 0.2436 0.0261 -0.0407 0.0257 188 ASN A CG 956 O OD1 . ASN A 165 ? 0.1869 0.2699 0.2313 0.0332 -0.0359 0.0192 188 ASN A OD1 957 N ND2 . ASN A 165 ? 0.1279 0.2215 0.1883 0.0239 -0.0438 0.0336 188 ASN A ND2 958 N N . HIS A 166 ? 0.1348 0.2569 0.1767 0.0041 -0.0530 0.0230 189 HIS A N 959 C CA . HIS A 166 ? 0.1535 0.2903 0.1949 -0.0046 -0.0614 0.0283 189 HIS A CA 960 C C . HIS A 166 ? 0.1489 0.2811 0.2056 -0.0064 -0.0660 0.0307 189 HIS A C 961 O O . HIS A 166 ? 0.1448 0.2873 0.2091 -0.0108 -0.0753 0.0403 189 HIS A O 962 C CB . HIS A 166 ? 0.1997 0.3467 0.2249 -0.0093 -0.0605 0.0186 189 HIS A CB 963 C CG . HIS A 166 ? 0.2444 0.4040 0.2562 -0.0097 -0.0570 0.0172 189 HIS A CG 964 N ND1 . HIS A 166 ? 0.3904 0.5685 0.3943 -0.0177 -0.0622 0.0262 189 HIS A ND1 965 C CD2 . HIS A 166 ? 0.1602 0.3177 0.1659 -0.0031 -0.0487 0.0079 189 HIS A CD2 966 C CE1 . HIS A 166 ? 0.1643 0.3528 0.1579 -0.0172 -0.0558 0.0215 189 HIS A CE1 967 N NE2 . HIS A 166 ? 0.1933 0.3705 0.1894 -0.0076 -0.0480 0.0100 189 HIS A NE2 968 N N . TYR A 167 ? 0.1669 0.2849 0.2288 -0.0033 -0.0600 0.0222 190 TYR A N 969 C CA . TYR A 167 ? 0.2051 0.3232 0.2839 -0.0063 -0.0637 0.0235 190 TYR A CA 970 C C . TYR A 167 ? 0.1369 0.2516 0.2334 -0.0018 -0.0651 0.0328 190 TYR A C 971 O O . TYR A 167 ? 0.1617 0.2848 0.2750 -0.0037 -0.0723 0.0386 190 TYR A O 972 C CB . TYR A 167 ? 0.1954 0.2999 0.2747 -0.0069 -0.0561 0.0122 190 TYR A CB 973 C CG . TYR A 167 ? 0.1396 0.2524 0.2352 -0.0135 -0.0610 0.0112 190 TYR A CG 974 C CD1 . TYR A 167 ? 0.1845 0.3168 0.2808 -0.0204 -0.0719 0.0134 190 TYR A CD1 975 C CD2 . TYR A 167 ? 0.1600 0.2634 0.2706 -0.0132 -0.0550 0.0084 190 TYR A CD2 976 C CE1 . TYR A 167 ? 0.1941 0.3375 0.3076 -0.0262 -0.0780 0.0123 190 TYR A CE1 977 C CE2 . TYR A 167 ? 0.1384 0.2534 0.2676 -0.0198 -0.0593 0.0065 190 TYR A CE2 978 C CZ . TYR A 167 ? 0.2061 0.3416 0.3377 -0.0257 -0.0714 0.0086 190 TYR A CZ 979 O OH . TYR A 167 ? 0.1451 0.2951 0.2967 -0.0316 -0.0771 0.0067 190 TYR A OH 980 N N . THR A 168 ? 0.1442 0.2474 0.2381 0.0045 -0.0588 0.0337 191 THR A N 981 C CA . THR A 168 ? 0.1405 0.2402 0.2499 0.0084 -0.0602 0.0413 191 THR A CA 982 C C . THR A 168 ? 0.1462 0.2564 0.2591 0.0056 -0.0701 0.0525 191 THR A C 983 O O . THR A 168 ? 0.1150 0.2210 0.2396 0.0067 -0.0718 0.0558 191 THR A O 984 C CB . THR A 168 ? 0.1651 0.2520 0.2678 0.0144 -0.0527 0.0393 191 THR A CB 985 O OG1 . THR A 168 ? 0.1909 0.2639 0.2944 0.0175 -0.0440 0.0319 191 THR A OG1 986 C CG2 . THR A 168 ? 0.1708 0.2562 0.2851 0.0166 -0.0558 0.0474 191 THR A CG2 987 N N . ILE A 169 ? 0.1174 0.2353 0.2134 0.0017 -0.0724 0.0552 192 ILE A N 988 C CA . ILE A 169 ? 0.1283 0.2471 0.2194 -0.0020 -0.0769 0.0641 192 ILE A CA 989 C C . ILE A 169 ? 0.1477 0.2708 0.2462 -0.0044 -0.0841 0.0676 192 ILE A C 990 O O . ILE A 169 ? 0.1476 0.2650 0.2537 -0.0035 -0.0877 0.0752 192 ILE A O 991 C CB . ILE A 169 ? 0.1448 0.2745 0.2165 -0.0073 -0.0771 0.0658 192 ILE A CB 992 C CG1 . ILE A 169 ? 0.1274 0.2538 0.1957 -0.0044 -0.0710 0.0649 192 ILE A CG1 993 C CG2 . ILE A 169 ? 0.1508 0.2847 0.2164 -0.0138 -0.0833 0.0765 192 ILE A CG2 994 C CD1 . ILE A 169 ? 0.1290 0.2711 0.1810 -0.0071 -0.0681 0.0604 192 ILE A CD1 995 N N . VAL A 170 ? 0.1489 0.2826 0.2466 -0.0075 -0.0871 0.0619 193 VAL A N 996 C CA . VAL A 170 ? 0.1985 0.3395 0.3027 -0.0101 -0.0950 0.0644 193 VAL A CA 997 C C . VAL A 170 ? 0.2145 0.3534 0.3423 -0.0058 -0.0945 0.0608 193 VAL A C 998 O O . VAL A 170 ? 0.2079 0.3547 0.3446 -0.0067 -0.1012 0.0623 193 VAL A O 999 C CB . VAL A 170 ? 0.2030 0.3589 0.2936 -0.0175 -0.0995 0.0593 193 VAL A CB 1000 C CG1 . VAL A 170 ? 0.1700 0.3308 0.2371 -0.0224 -0.0998 0.0637 193 VAL A CG1 1001 C CG2 . VAL A 170 ? 0.1490 0.3084 0.2425 -0.0191 -0.0956 0.0476 193 VAL A CG2 1002 N N . THR A 171 ? 0.1807 0.3104 0.3193 -0.0011 -0.0865 0.0561 194 THR A N 1003 C CA . THR A 171 ? 0.1602 0.2890 0.3217 0.0022 -0.0842 0.0525 194 THR A CA 1004 C C . THR A 171 ? 0.1462 0.2614 0.3177 0.0090 -0.0789 0.0546 194 THR A C 1005 O O . THR A 171 ? 0.1660 0.2821 0.3569 0.0121 -0.0774 0.0520 194 THR A O 1006 C CB . THR A 171 ? 0.1161 0.2474 0.2863 0.0000 -0.0785 0.0431 194 THR A CB 1007 O OG1 . THR A 171 ? 0.1092 0.2274 0.2688 0.0031 -0.0704 0.0411 194 THR A OG1 1008 C CG2 . THR A 171 ? 0.1212 0.2665 0.2854 -0.0089 -0.0844 0.0384 194 THR A CG2 1009 N N . GLY A 172 ? 0.1512 0.2552 0.3111 0.0108 -0.0756 0.0578 195 GLY A N 1010 C CA . GLY A 172 ? 0.1527 0.2438 0.3214 0.0161 -0.0705 0.0577 195 GLY A CA 1011 C C . GLY A 172 ? 0.2049 0.2911 0.3826 0.0194 -0.0611 0.0492 195 GLY A C 1012 O O . GLY A 172 ? 0.1391 0.2169 0.3274 0.0236 -0.0564 0.0469 195 GLY A O 1013 N N . LEU A 173 ? 0.1262 0.2171 0.3005 0.0174 -0.0582 0.0444 196 LEU A N 1014 C CA . LEU A 173 ? 0.1321 0.2175 0.3147 0.0194 -0.0483 0.0365 196 LEU A CA 1015 C C . LEU A 173 ? 0.1076 0.1788 0.2654 0.0205 -0.0404 0.0328 196 LEU A C 1016 O O . LEU A 173 ? 0.1410 0.2132 0.2810 0.0186 -0.0429 0.0337 196 LEU A O 1017 C CB . LEU A 173 ? 0.1457 0.2382 0.3337 0.0137 -0.0460 0.0301 196 LEU A CB 1018 C CG . LEU A 173 ? 0.1949 0.3046 0.4120 0.0129 -0.0527 0.0315 196 LEU A CG 1019 C CD1 . LEU A 173 ? 0.1403 0.2594 0.3596 0.0048 -0.0522 0.0250 196 LEU A CD1 1020 C CD2 . LEU A 173 ? 0.1210 0.2265 0.3557 0.0182 -0.0456 0.0282 196 LEU A CD2 1021 N N . TYR A 174 ? 0.1328 0.1921 0.2900 0.0239 -0.0310 0.0281 197 TYR A N 1022 C CA . TYR A 174 ? 0.1515 0.1971 0.2860 0.0251 -0.0233 0.0238 197 TYR A CA 1023 C C . TYR A 174 ? 0.1274 0.1696 0.2510 0.0209 -0.0198 0.0193 197 TYR A C 1024 O O . TYR A 174 ? 0.1460 0.1937 0.2815 0.0160 -0.0187 0.0167 197 TYR A O 1025 C CB . TYR A 174 ? 0.1518 0.1863 0.2868 0.0280 -0.0137 0.0195 197 TYR A CB 1026 C CG . TYR A 174 ? 0.1618 0.1962 0.3064 0.0321 -0.0161 0.0215 197 TYR A CG 1027 C CD1 . TYR A 174 ? 0.1459 0.1785 0.2797 0.0341 -0.0211 0.0251 197 TYR A CD1 1028 C CD2 . TYR A 174 ? 0.1528 0.1891 0.3181 0.0337 -0.0127 0.0186 197 TYR A CD2 1029 C CE1 . TYR A 174 ? 0.1017 0.1322 0.2437 0.0364 -0.0233 0.0264 197 TYR A CE1 1030 C CE2 . TYR A 174 ? 0.1430 0.1761 0.3168 0.0375 -0.0146 0.0190 197 TYR A CE2 1031 C CZ . TYR A 174 ? 0.1088 0.1378 0.2703 0.0383 -0.0201 0.0231 197 TYR A CZ 1032 O OH . TYR A 174 ? 0.1069 0.1310 0.2778 0.0408 -0.0216 0.0227 197 TYR A OH 1033 N N . ALA A 175 ? 0.1696 0.2023 0.2717 0.0229 -0.0180 0.0178 198 ALA A N 1034 C CA . ALA A 175 ? 0.2117 0.2368 0.3023 0.0196 -0.0148 0.0129 198 ALA A CA 1035 C C . ALA A 175 ? 0.1958 0.2097 0.2892 0.0156 -0.0053 0.0089 198 ALA A C 1036 O O . ALA A 175 ? 0.1995 0.2125 0.2947 0.0091 -0.0037 0.0051 198 ALA A O 1037 C CB . ALA A 175 ? 0.1314 0.1463 0.2005 0.0251 -0.0140 0.0116 198 ALA A CB 1038 N N . GLU A 176 ? 0.2258 0.2313 0.3182 0.0182 0.0017 0.0092 199 GLU A N 1039 C CA . GLU A 176 ? 0.1856 0.1815 0.2790 0.0129 0.0123 0.0058 199 GLU A CA 1040 C C . GLU A 176 ? 0.2363 0.2486 0.3553 0.0059 0.0122 0.0032 199 GLU A C 1041 O O . GLU A 176 ? 0.1969 0.2051 0.3186 -0.0017 0.0199 -0.0006 199 GLU A O 1042 C CB . GLU A 176 ? 0.1665 0.1539 0.2542 0.0162 0.0202 0.0059 199 GLU A CB 1043 C CG . GLU A 176 ? 0.1750 0.1764 0.2821 0.0197 0.0174 0.0061 199 GLU A CG 1044 C CD . GLU A 176 ? 0.2201 0.2148 0.3235 0.0217 0.0261 0.0034 199 GLU A CD 1045 O OE1 . GLU A 176 ? 0.2236 0.2025 0.3046 0.0212 0.0336 0.0029 199 GLU A OE1 1046 O OE2 . GLU A 176 ? 0.2441 0.2492 0.3668 0.0242 0.0249 0.0017 199 GLU A OE2 1047 N N . THR A 177 ? 0.2091 0.2401 0.3476 0.0081 0.0032 0.0057 200 THR A N 1048 C CA . THR A 177 ? 0.1747 0.2235 0.3393 0.0026 0.0011 0.0036 200 THR A CA 1049 C C . THR A 177 ? 0.1693 0.2273 0.3338 -0.0030 -0.0077 0.0032 200 THR A C 1050 O O . THR A 177 ? 0.1547 0.2184 0.3289 -0.0112 -0.0053 -0.0017 200 THR A O 1051 C CB . THR A 177 ? 0.1902 0.2540 0.3789 0.0082 -0.0047 0.0067 200 THR A CB 1052 O OG1 . THR A 177 ? 0.1769 0.2331 0.3677 0.0119 0.0053 0.0039 200 THR A OG1 1053 C CG2 . THR A 177 ? 0.1352 0.2208 0.3538 0.0041 -0.0094 0.0050 200 THR A CG2 1054 N N . HIS A 178 ? 0.1844 0.2449 0.3372 0.0001 -0.0173 0.0073 201 HIS A N 1055 C CA . HIS A 178 ? 0.1757 0.2470 0.3279 -0.0062 -0.0252 0.0055 201 HIS A CA 1056 C C . HIS A 178 ? 0.2168 0.2725 0.3511 -0.0117 -0.0188 -0.0018 201 HIS A C 1057 O O . HIS A 178 ? 0.2124 0.2755 0.3502 -0.0198 -0.0221 -0.0067 201 HIS A O 1058 C CB . HIS A 178 ? 0.1527 0.2345 0.2983 -0.0031 -0.0369 0.0118 201 HIS A CB 1059 C CG . HIS A 178 ? 0.1439 0.2140 0.2668 0.0025 -0.0351 0.0134 201 HIS A CG 1060 N ND1 . HIS A 178 ? 0.1452 0.2013 0.2479 0.0025 -0.0298 0.0073 201 HIS A ND1 1061 C CD2 . HIS A 178 ? 0.1142 0.1870 0.2335 0.0079 -0.0392 0.0201 201 HIS A CD2 1062 C CE1 . HIS A 178 ? 0.1599 0.2131 0.2490 0.0086 -0.0306 0.0098 201 HIS A CE1 1063 N NE2 . HIS A 178 ? 0.1530 0.2167 0.2516 0.0110 -0.0360 0.0175 201 HIS A NE2 1064 N N . GLY A 179 ? 0.2558 0.2891 0.3720 -0.0079 -0.0098 -0.0027 202 GLY A N 1065 C CA . GLY A 179 ? 0.1638 0.1772 0.2647 -0.0125 -0.0027 -0.0086 202 GLY A CA 1066 C C . GLY A 179 ? 0.2360 0.2381 0.3150 -0.0080 -0.0053 -0.0108 202 GLY A C 1067 O O . GLY A 179 ? 0.2451 0.2247 0.3091 -0.0087 0.0008 -0.0147 202 GLY A O 1068 N N . ILE A 180 ? 0.1702 0.1870 0.2473 -0.0034 -0.0139 -0.0085 203 ILE A N 1069 C CA . ILE A 180 ? 0.2035 0.2132 0.2620 0.0019 -0.0152 -0.0117 203 ILE A CA 1070 C C . ILE A 180 ? 0.2405 0.2400 0.2895 0.0124 -0.0122 -0.0069 203 ILE A C 1071 O O . ILE A 180 ? 0.2294 0.2420 0.2802 0.0171 -0.0169 -0.0020 203 ILE A O 1072 C CB . ILE A 180 ? 0.2165 0.2482 0.2751 0.0004 -0.0244 -0.0119 203 ILE A CB 1073 C CG1 . ILE A 180 ? 0.2415 0.2876 0.3107 -0.0105 -0.0297 -0.0155 203 ILE A CG1 1074 C CG2 . ILE A 180 ? 0.2031 0.2282 0.2430 0.0057 -0.0234 -0.0185 203 ILE A CG2 1075 C CD1 . ILE A 180 ? 0.2180 0.2492 0.2843 -0.0179 -0.0244 -0.0254 203 ILE A CD1 1076 N N . ILE A 181 ? 0.2124 0.1885 0.2511 0.0153 -0.0048 -0.0075 204 ILE A N 1077 C CA . ILE A 181 ? 0.1790 0.1483 0.2102 0.0243 -0.0032 -0.0023 204 ILE A CA 1078 C C . ILE A 181 ? 0.2693 0.2326 0.2857 0.0340 -0.0054 -0.0043 204 ILE A C 1079 O O . ILE A 181 ? 0.2696 0.2306 0.2800 0.0420 -0.0058 -0.0005 204 ILE A O 1080 C CB . ILE A 181 ? 0.2122 0.1619 0.2383 0.0230 0.0052 0.0000 204 ILE A CB 1081 C CG1 . ILE A 181 ? 0.2766 0.2002 0.2883 0.0210 0.0105 -0.0033 204 ILE A CG1 1082 C CG2 . ILE A 181 ? 0.1881 0.1489 0.2329 0.0143 0.0083 0.0008 204 ILE A CG2 1083 C CD1 . ILE A 181 ? 0.2732 0.1751 0.2643 0.0318 0.0111 -0.0009 204 ILE A CD1 1084 N N . ASP A 182 ? 0.2630 0.2260 0.2747 0.0336 -0.0070 -0.0111 205 ASP A N 1085 C CA . ASP A 182 ? 0.3201 0.2790 0.3208 0.0438 -0.0084 -0.0151 205 ASP A CA 1086 C C . ASP A 182 ? 0.3415 0.3049 0.3409 0.0398 -0.0095 -0.0248 205 ASP A C 1087 O O . ASP A 182 ? 0.2873 0.2502 0.2914 0.0294 -0.0088 -0.0279 205 ASP A O 1088 C CB . ASP A 182 ? 0.3685 0.2987 0.3557 0.0518 -0.0044 -0.0139 205 ASP A CB 1089 C CG . ASP A 182 ? 0.4513 0.3801 0.4307 0.0656 -0.0072 -0.0168 205 ASP A CG 1090 O OD1 . ASP A 182 ? 0.4223 0.3747 0.4071 0.0684 -0.0108 -0.0202 205 ASP A OD1 1091 O OD2 . ASP A 182 ? 0.3530 0.2578 0.3212 0.0737 -0.0057 -0.0151 205 ASP A OD2 1092 N N . ASN A 183 ? 0.3204 0.2906 0.3143 0.0477 -0.0110 -0.0305 206 ASN A N 1093 C CA . ASN A 183 ? 0.3291 0.3011 0.3192 0.0449 -0.0107 -0.0422 206 ASN A CA 1094 C C . ASN A 183 ? 0.4222 0.3618 0.4045 0.0454 -0.0062 -0.0489 206 ASN A C 1095 O O . ASN A 183 ? 0.4027 0.3389 0.3822 0.0402 -0.0054 -0.0598 206 ASN A O 1096 C CB . ASN A 183 ? 0.3472 0.3356 0.3342 0.0539 -0.0118 -0.0481 206 ASN A CB 1097 C CG . ASN A 183 ? 0.5154 0.5369 0.5089 0.0502 -0.0159 -0.0420 206 ASN A CG 1098 O OD1 . ASN A 183 ? 0.4014 0.4355 0.4008 0.0397 -0.0193 -0.0358 206 ASN A OD1 1099 N ND2 . ASN A 183 ? 0.4792 0.5146 0.4723 0.0589 -0.0159 -0.0436 206 ASN A ND2 1100 N N . ASN A 184 ? 0.3999 0.3145 0.3771 0.0511 -0.0034 -0.0425 207 ASN A N 1101 C CA . ASN A 184 ? 0.3573 0.2363 0.3253 0.0514 0.0011 -0.0458 207 ASN A CA 1102 C C . ASN A 184 ? 0.3551 0.2184 0.3218 0.0459 0.0046 -0.0350 207 ASN A C 1103 O O . ASN A 184 ? 0.3758 0.2432 0.3412 0.0519 0.0037 -0.0258 207 ASN A O 1104 C CB . ASN A 184 ? 0.4343 0.2953 0.3931 0.0681 0.0007 -0.0490 207 ASN A CB 1105 C CG . ASN A 184 ? 0.5633 0.4413 0.5244 0.0740 -0.0010 -0.0619 207 ASN A CG 1106 O OD1 . ASN A 184 ? 0.6097 0.5089 0.5742 0.0840 -0.0037 -0.0618 207 ASN A OD1 1107 N ND2 . ASN A 184 ? 0.5286 0.3997 0.4883 0.0666 0.0012 -0.0741 207 ASN A ND2 1108 N N . MET A 185 ? 0.3874 0.2350 0.3545 0.0335 0.0091 -0.0370 208 MET A N 1109 C CA . MET A 185 ? 0.4495 0.2842 0.4154 0.0268 0.0143 -0.0276 208 MET A CA 1110 C C . MET A 185 ? 0.4522 0.2604 0.4146 0.0146 0.0205 -0.0314 208 MET A C 1111 O O . MET A 185 ? 0.4553 0.2605 0.4200 0.0086 0.0199 -0.0421 208 MET A O 1112 C CB . MET A 185 ? 0.3537 0.2184 0.3351 0.0196 0.0133 -0.0228 208 MET A CB 1113 C CG . MET A 185 ? 0.4320 0.3225 0.4281 0.0102 0.0093 -0.0296 208 MET A CG 1114 S SD . MET A 185 ? 0.3193 0.2436 0.3360 0.0044 0.0062 -0.0232 208 MET A SD 1115 C CE . MET A 185 ? 0.2959 0.2430 0.3223 -0.0047 -0.0008 -0.0321 208 MET A CE 1116 N N . TYR A 186 ? 0.4052 0.1949 0.3614 0.0096 0.0269 -0.0228 209 TYR A N 1117 C CA . TYR A 186 ? 0.4720 0.2381 0.4260 -0.0049 0.0344 -0.0243 209 TYR A CA 1118 C C . TYR A 186 ? 0.4323 0.2174 0.4002 -0.0185 0.0398 -0.0204 209 TYR A C 1119 O O . TYR A 186 ? 0.4207 0.2222 0.3918 -0.0139 0.0399 -0.0134 209 TYR A O 1120 C CB . TYR A 186 ? 0.4812 0.2045 0.4129 0.0006 0.0384 -0.0170 209 TYR A CB 1121 C CG . TYR A 186 ? 0.5184 0.2141 0.4453 -0.0158 0.0475 -0.0160 209 TYR A CG 1122 C CD1 . TYR A 186 ? 0.4613 0.1424 0.3914 -0.0255 0.0485 -0.0268 209 TYR A CD1 1123 C CD2 . TYR A 186 ? 0.4699 0.1546 0.3886 -0.0231 0.0556 -0.0049 209 TYR A CD2 1124 C CE1 . TYR A 186 ? 0.5300 0.1859 0.4567 -0.0423 0.0571 -0.0261 209 TYR A CE1 1125 C CE2 . TYR A 186 ? 0.5187 0.1790 0.4329 -0.0401 0.0651 -0.0035 209 TYR A CE2 1126 C CZ . TYR A 186 ? 0.5833 0.2292 0.5024 -0.0501 0.0658 -0.0139 209 TYR A CZ 1127 O OH . TYR A 186 ? 0.6028 0.2314 0.5204 -0.0678 0.0739 -0.0124 209 TYR A OH 1128 N N . ASP A 187 ? 0.3746 0.1586 0.3524 -0.0352 0.0446 -0.0260 210 ASP A N 1129 C CA . ASP A 187 ? 0.3640 0.1656 0.3573 -0.0483 0.0511 -0.0235 210 ASP A CA 1130 C C . ASP A 187 ? 0.4760 0.2480 0.4618 -0.0633 0.0618 -0.0228 210 ASP A C 1131 O O . ASP A 187 ? 0.4750 0.2346 0.4624 -0.0732 0.0620 -0.0312 210 ASP A O 1132 C CB . ASP A 187 ? 0.3382 0.1778 0.3577 -0.0559 0.0453 -0.0316 210 ASP A CB 1133 C CG . ASP A 187 ? 0.3620 0.2245 0.4025 -0.0668 0.0512 -0.0297 210 ASP A CG 1134 O OD1 . ASP A 187 ? 0.3974 0.2458 0.4374 -0.0795 0.0621 -0.0287 210 ASP A OD1 1135 O OD2 . ASP A 187 ? 0.3608 0.2561 0.4194 -0.0625 0.0450 -0.0294 210 ASP A OD2 1136 N N . VAL A 188 ? 0.4541 0.2146 0.4308 -0.0663 0.0711 -0.0132 211 VAL A N 1137 C CA . VAL A 188 ? 0.4791 0.2082 0.4445 -0.0814 0.0825 -0.0101 211 VAL A CA 1138 C C . VAL A 188 ? 0.5333 0.2832 0.5232 -0.1023 0.0893 -0.0175 211 VAL A C 1139 O O . VAL A 188 ? 0.5507 0.2776 0.5371 -0.1181 0.0963 -0.0200 211 VAL A O 1140 C CB . VAL A 188 ? 0.4886 0.1994 0.4325 -0.0781 0.0904 0.0033 211 VAL A CB 1141 C CG1 . VAL A 188 ? 0.4337 0.1780 0.3945 -0.0845 0.0977 0.0042 211 VAL A CG1 1142 C CG2 . VAL A 188 ? 0.5054 0.1728 0.4273 -0.0890 0.0992 0.0097 211 VAL A CG2 1143 N N . LYS A 189 ? 0.5008 0.2936 0.5168 -0.1029 0.0871 -0.0212 212 LYS A N 1144 C CA . LYS A 189 ? 0.4812 0.2991 0.5250 -0.1211 0.0915 -0.0292 212 LYS A CA 1145 C C . LYS A 189 ? 0.4020 0.2210 0.4542 -0.1283 0.0835 -0.0405 212 LYS A C 1146 O O . LYS A 189 ? 0.4354 0.2470 0.4945 -0.1468 0.0894 -0.0465 212 LYS A O 1147 C CB . LYS A 189 ? 0.4069 0.2701 0.4781 -0.1165 0.0885 -0.0304 212 LYS A CB 1148 C CG . LYS A 189 ? 0.4550 0.3182 0.5176 -0.1084 0.0957 -0.0216 212 LYS A CG 1149 C CD . LYS A 189 ? 0.5712 0.4202 0.6272 -0.1234 0.1129 -0.0181 212 LYS A CD 1150 C CE . LYS A 189 ? 0.6297 0.5129 0.7091 -0.1254 0.1205 -0.0197 212 LYS A CE 1151 N NZ . LYS A 189 ? 0.6004 0.4951 0.6767 -0.1059 0.1134 -0.0159 212 LYS A NZ 1152 N N . LEU A 190 ? 0.4752 0.3041 0.5263 -0.1148 0.0703 -0.0443 213 LEU A N 1153 C CA . LEU A 190 ? 0.4677 0.2947 0.5208 -0.1201 0.0626 -0.0559 213 LEU A CA 1154 C C . LEU A 190 ? 0.5026 0.2814 0.5305 -0.1213 0.0665 -0.0574 213 LEU A C 1155 O O . LEU A 190 ? 0.5647 0.3344 0.5942 -0.1318 0.0644 -0.0688 213 LEU A O 1156 C CB . LEU A 190 ? 0.4541 0.3046 0.5093 -0.1048 0.0489 -0.0586 213 LEU A CB 1157 C CG . LEU A 190 ? 0.4809 0.3770 0.5604 -0.1017 0.0419 -0.0568 213 LEU A CG 1158 C CD1 . LEU A 190 ? 0.3521 0.2651 0.4281 -0.0887 0.0287 -0.0586 213 LEU A CD1 1159 C CD2 . LEU A 190 ? 0.4163 0.3386 0.5229 -0.1198 0.0416 -0.0645 213 LEU A CD2 1160 N N . ASN A 191 ? 0.5584 0.3059 0.5631 -0.1108 0.0715 -0.0463 214 ASN A N 1161 C CA . ASN A 191 ? 0.5696 0.2710 0.5489 -0.1040 0.0717 -0.0456 214 ASN A CA 1162 C C . ASN A 191 ? 0.5881 0.2949 0.5679 -0.0948 0.0608 -0.0578 214 ASN A C 1163 O O . ASN A 191 ? 0.5528 0.2381 0.5288 -0.1021 0.0604 -0.0685 214 ASN A O 1164 C CB . ASN A 191 ? 0.5241 0.1965 0.4966 -0.1198 0.0796 -0.0444 214 ASN A CB 1165 C CG . ASN A 191 ? 0.6726 0.3038 0.6224 -0.1094 0.0763 -0.0419 214 ASN A CG 1166 O OD1 . ASN A 191 ? 0.6667 0.2849 0.6027 -0.0898 0.0707 -0.0384 214 ASN A OD1 1167 N ND2 . ASN A 191 ? 0.6583 0.2703 0.6065 -0.1221 0.0793 -0.0436 214 ASN A ND2 1168 N N . GLN A 192 ? 0.5218 0.2585 0.5064 -0.0796 0.0523 -0.0569 215 GLN A N 1169 C CA . GLN A 192 ? 0.4879 0.2359 0.4729 -0.0718 0.0429 -0.0683 215 GLN A CA 1170 C C . GLN A 192 ? 0.5451 0.3011 0.5217 -0.0500 0.0371 -0.0624 215 GLN A C 1171 O O . GLN A 192 ? 0.4816 0.2535 0.4609 -0.0433 0.0372 -0.0514 215 GLN A O 1172 C CB . GLN A 192 ? 0.5580 0.3476 0.5645 -0.0828 0.0368 -0.0772 215 GLN A CB 1173 C CG . GLN A 192 ? 0.6474 0.4467 0.6516 -0.0800 0.0285 -0.0911 215 GLN A CG 1174 C CD . GLN A 192 ? 0.7008 0.5447 0.7241 -0.0893 0.0204 -0.0966 215 GLN A CD 1175 O OE1 . GLN A 192 ? 0.6982 0.5653 0.7204 -0.0821 0.0119 -0.1007 215 GLN A OE1 1176 N NE2 . GLN A 192 ? 0.6952 0.5522 0.7363 -0.1055 0.0228 -0.0962 215 GLN A NE2 1177 N N . ASN A 193 ? 0.5199 0.2661 0.4874 -0.0396 0.0326 -0.0711 216 ASN A N 1178 C CA . ASN A 193 ? 0.5168 0.2756 0.4792 -0.0201 0.0268 -0.0685 216 ASN A CA 1179 C C . ASN A 193 ? 0.4953 0.2960 0.4693 -0.0207 0.0194 -0.0758 216 ASN A C 1180 O O . ASN A 193 ? 0.5314 0.3426 0.5115 -0.0325 0.0173 -0.0873 216 ASN A O 1181 C CB . ASN A 193 ? 0.5765 0.3023 0.5237 -0.0067 0.0267 -0.0741 216 ASN A CB 1182 C CG . ASN A 193 ? 0.6588 0.3421 0.5918 -0.0037 0.0322 -0.0638 216 ASN A CG 1183 O OD1 . ASN A 193 ? 0.6451 0.3293 0.5733 0.0036 0.0326 -0.0498 216 ASN A OD1 1184 N ND2 . ASN A 193 ? 0.8032 0.4477 0.7283 -0.0103 0.0362 -0.0701 216 ASN A ND2 1185 N N . PHE A 194 ? 0.4297 0.2537 0.4056 -0.0088 0.0151 -0.0685 217 PHE A N 1186 C CA . PHE A 194 ? 0.4636 0.3254 0.4472 -0.0076 0.0080 -0.0724 217 PHE A CA 1187 C C . PHE A 194 ? 0.5202 0.3836 0.4946 0.0090 0.0057 -0.0755 217 PHE A C 1188 O O . PHE A 194 ? 0.5467 0.3968 0.5150 0.0218 0.0071 -0.0679 217 PHE A O 1189 C CB . PHE A 194 ? 0.3454 0.2349 0.3420 -0.0097 0.0055 -0.0605 217 PHE A CB 1190 C CG . PHE A 194 ? 0.3401 0.2668 0.3442 -0.0096 -0.0025 -0.0609 217 PHE A CG 1191 C CD1 . PHE A 194 ? 0.3313 0.2702 0.3301 0.0026 -0.0056 -0.0586 217 PHE A CD1 1192 C CD2 . PHE A 194 ? 0.4081 0.3584 0.4254 -0.0222 -0.0073 -0.0623 217 PHE A CD2 1193 C CE1 . PHE A 194 ? 0.3910 0.3623 0.3950 0.0010 -0.0123 -0.0571 217 PHE A CE1 1194 C CE2 . PHE A 194 ? 0.3195 0.3016 0.3416 -0.0224 -0.0155 -0.0602 217 PHE A CE2 1195 C CZ . PHE A 194 ? 0.3325 0.3242 0.3472 -0.0115 -0.0176 -0.0571 217 PHE A CZ 1196 N N . SER A 195 ? 0.5155 0.3970 0.4890 0.0085 0.0023 -0.0872 218 SER A N 1197 C CA . SER A 195 ? 0.5677 0.4574 0.5352 0.0232 0.0011 -0.0917 218 SER A CA 1198 C C . SER A 195 ? 0.6087 0.5354 0.5781 0.0187 -0.0035 -0.0980 218 SER A C 1199 O O . SER A 195 ? 0.6338 0.5747 0.6062 0.0047 -0.0065 -0.1022 218 SER A O 1200 C CB . SER A 195 ? 0.6371 0.4949 0.5950 0.0316 0.0051 -0.1038 218 SER A CB 1201 O OG . SER A 195 ? 0.6588 0.5156 0.6143 0.0212 0.0056 -0.1201 218 SER A OG 1202 N N . LEU A 196 ? 0.5730 0.5164 0.5401 0.0303 -0.0041 -0.0987 219 LEU A N 1203 C CA . LEU A 196 ? 0.6582 0.6361 0.6239 0.0259 -0.0072 -0.1041 219 LEU A CA 1204 C C . LEU A 196 ? 0.7826 0.7581 0.7394 0.0225 -0.0049 -0.1239 219 LEU A C 1205 O O . LEU A 196 ? 0.7848 0.7871 0.7375 0.0134 -0.0078 -0.1294 219 LEU A O 1206 C CB . LEU A 196 ? 0.6524 0.6507 0.6191 0.0376 -0.0072 -0.0992 219 LEU A CB 1207 C CG . LEU A 196 ? 0.6727 0.6829 0.6476 0.0386 -0.0106 -0.0811 219 LEU A CG 1208 C CD1 . LEU A 196 ? 0.6120 0.6494 0.5879 0.0451 -0.0112 -0.0788 219 LEU A CD1 1209 C CD2 . LEU A 196 ? 0.6054 0.6271 0.5864 0.0244 -0.0156 -0.0721 219 LEU A CD2 1210 N N . SER A 197 ? 0.7849 0.7281 0.7376 0.0295 0.0000 -0.1346 220 SER A N 1211 C CA . SER A 197 ? 0.8382 0.7729 0.7829 0.0270 0.0031 -0.1558 220 SER A CA 1212 C C . SER A 197 ? 0.8425 0.7424 0.7866 0.0176 0.0045 -0.1602 220 SER A C 1213 O O . SER A 197 ? 0.8901 0.7543 0.8308 0.0254 0.0089 -0.1679 220 SER A O 1214 C CB . SER A 197 ? 0.9128 0.8390 0.8550 0.0453 0.0081 -0.1670 220 SER A CB 1215 O OG . SER A 197 ? 0.9309 0.8823 0.8776 0.0557 0.0074 -0.1584 220 SER A OG 1216 N N . GLY A 198 ? 0.8805 0.7908 0.8290 0.0008 0.0004 -0.1544 221 GLY A N 1217 C CA . GLY A 198 ? 0.7947 0.6788 0.7446 -0.0121 0.0017 -0.1590 221 GLY A CA 1218 C C . GLY A 198 ? 0.6968 0.6098 0.6531 -0.0302 -0.0048 -0.1568 221 GLY A C 1219 O O . GLY A 198 ? 0.6800 0.6262 0.6407 -0.0306 -0.0103 -0.1461 221 GLY A O 1220 N N . SER A 199 ? 0.7482 0.6486 0.7056 -0.0452 -0.0048 -0.1672 222 SER A N 1221 C CA . SER A 199 ? 0.7479 0.6768 0.7138 -0.0625 -0.0123 -0.1656 222 SER A CA 1222 C C . SER A 199 ? 0.6812 0.6090 0.6633 -0.0684 -0.0125 -0.1494 222 SER A C 1223 O O . SER A 199 ? 0.6303 0.5853 0.6241 -0.0802 -0.0195 -0.1455 222 SER A O 1224 C CB . SER A 199 ? 0.7611 0.6832 0.7222 -0.0779 -0.0132 -0.1862 222 SER A CB 1225 O OG . SER A 199 ? 0.7931 0.6719 0.7540 -0.0804 -0.0056 -0.1924 222 SER A OG 1226 N N . ASN A 200 ? 0.6418 0.5398 0.6249 -0.0603 -0.0052 -0.1403 223 ASN A N 1227 C CA . ASN A 200 ? 0.6229 0.5237 0.6204 -0.0651 -0.0041 -0.1252 223 ASN A CA 1228 C C . ASN A 200 ? 0.5050 0.4418 0.5115 -0.0598 -0.0106 -0.1116 223 ASN A C 1229 O O . ASN A 200 ? 0.5611 0.5141 0.5835 -0.0669 -0.0130 -0.1029 223 ASN A O 1230 C CB . ASN A 200 ? 0.6506 0.5139 0.6429 -0.0566 0.0048 -0.1168 223 ASN A CB 1231 C CG . ASN A 200 ? 0.7637 0.5861 0.7480 -0.0635 0.0113 -0.1276 223 ASN A CG 1232 O OD1 . ASN A 200 ? 0.7801 0.6004 0.7615 -0.0725 0.0096 -0.1440 223 ASN A OD1 1233 N ND2 . ASN A 200 ? 0.7655 0.5537 0.7447 -0.0596 0.0186 -0.1184 223 ASN A ND2 1234 N N . MET A 201 ? 0.4219 0.3719 0.4195 -0.0477 -0.0134 -0.1104 224 MET A N 1235 C CA . MET A 201 ? 0.5022 0.4820 0.5072 -0.0428 -0.0192 -0.0967 224 MET A CA 1236 C C . MET A 201 ? 0.5061 0.5189 0.5212 -0.0549 -0.0290 -0.0958 224 MET A C 1237 O O . MET A 201 ? 0.4296 0.4629 0.4562 -0.0532 -0.0340 -0.0826 224 MET A O 1238 C CB . MET A 201 ? 0.5123 0.5003 0.5056 -0.0297 -0.0196 -0.0966 224 MET A CB 1239 C CG . MET A 201 ? 0.6032 0.6052 0.5849 -0.0333 -0.0225 -0.1105 224 MET A CG 1240 S SD . MET A 201 ? 0.8371 0.8664 0.8114 -0.0229 -0.0249 -0.1048 224 MET A SD 1241 C CE . MET A 201 ? 0.7211 0.7850 0.7053 -0.0336 -0.0361 -0.0908 224 MET A CE 1242 N N . ARG A 202 ? 0.4404 0.4586 0.4514 -0.0666 -0.0325 -0.1097 225 ARG A N 1243 C CA . ARG A 202 ? 0.4866 0.5371 0.5069 -0.0784 -0.0435 -0.1088 225 ARG A CA 1244 C C . ARG A 202 ? 0.5052 0.5568 0.5465 -0.0897 -0.0443 -0.1070 225 ARG A C 1245 O O . ARG A 202 ? 0.5239 0.6028 0.5765 -0.0999 -0.0544 -0.1071 225 ARG A O 1246 C CB . ARG A 202 ? 0.5840 0.6442 0.5888 -0.0867 -0.0481 -0.1253 225 ARG A CB 1247 C CG . ARG A 202 ? 0.6417 0.7241 0.6317 -0.0802 -0.0526 -0.1222 225 ARG A CG 1248 C CD . ARG A 202 ? 0.7412 0.8350 0.7132 -0.0889 -0.0561 -0.1396 225 ARG A CD 1249 N NE . ARG A 202 ? 0.8416 0.9058 0.8017 -0.0857 -0.0456 -0.1578 225 ARG A NE 1250 C CZ . ARG A 202 ? 0.8713 0.9223 0.8216 -0.0715 -0.0372 -0.1603 225 ARG A CZ 1251 N NH1 . ARG A 202 ? 0.8397 0.9052 0.7899 -0.0609 -0.0375 -0.1461 225 ARG A NH1 1252 N NH2 . ARG A 202 ? 0.9168 0.9397 0.8587 -0.0679 -0.0288 -0.1775 225 ARG A NH2 1253 N N . ASN A 203 ? 0.4684 0.4924 0.5151 -0.0883 -0.0340 -0.1049 226 ASN A N 1254 C CA . ASN A 203 ? 0.4387 0.4645 0.5063 -0.0992 -0.0321 -0.1029 226 ASN A CA 1255 C C . ASN A 203 ? 0.3232 0.3714 0.4098 -0.0935 -0.0356 -0.0872 226 ASN A C 1256 O O . ASN A 203 ? 0.3183 0.3569 0.4015 -0.0808 -0.0308 -0.0767 226 ASN A O 1257 C CB . ASN A 203 ? 0.4783 0.4650 0.5415 -0.1009 -0.0188 -0.1057 226 ASN A CB 1258 C CG . ASN A 203 ? 0.5193 0.5083 0.6033 -0.1154 -0.0149 -0.1057 226 ASN A CG 1259 O OD1 . ASN A 203 ? 0.4125 0.4294 0.5180 -0.1171 -0.0190 -0.0979 226 ASN A OD1 1260 N ND2 . ASN A 203 ? 0.6735 0.6331 0.7524 -0.1260 -0.0066 -0.1149 226 ASN A ND2 1261 N N . ALA A 204 ? 0.2821 0.3596 0.3900 -0.1028 -0.0443 -0.0863 227 ALA A N 1262 C CA . ALA A 204 ? 0.3034 0.4041 0.4315 -0.0964 -0.0494 -0.0725 227 ALA A CA 1263 C C . ALA A 204 ? 0.2807 0.3660 0.4200 -0.0920 -0.0373 -0.0657 227 ALA A C 1264 O O . ALA A 204 ? 0.2481 0.3440 0.3985 -0.0826 -0.0386 -0.0546 227 ALA A O 1265 C CB . ALA A 204 ? 0.3043 0.4399 0.4555 -0.1068 -0.0619 -0.0742 227 ALA A CB 1266 N N . ALA A 205 ? 0.2962 0.3554 0.4314 -0.0992 -0.0253 -0.0723 228 ALA A N 1267 C CA . ALA A 205 ? 0.2800 0.3249 0.4227 -0.0970 -0.0130 -0.0659 228 ALA A CA 1268 C C . ALA A 205 ? 0.2771 0.3078 0.4056 -0.0804 -0.0092 -0.0556 228 ALA A C 1269 O O . ALA A 205 ? 0.3020 0.3304 0.4388 -0.0765 -0.0020 -0.0486 228 ALA A O 1270 C CB . ALA A 205 ? 0.3324 0.3474 0.4673 -0.1086 -0.0009 -0.0736 228 ALA A CB 1271 N N . TRP A 206 ? 0.2557 0.2791 0.3636 -0.0711 -0.0136 -0.0553 229 TRP A N 1272 C CA . TRP A 206 ? 0.2481 0.2611 0.3439 -0.0562 -0.0111 -0.0464 229 TRP A CA 1273 C C . TRP A 206 ? 0.2960 0.3351 0.4053 -0.0489 -0.0188 -0.0367 229 TRP A C 1274 O O . TRP A 206 ? 0.2235 0.2562 0.3300 -0.0390 -0.0154 -0.0290 229 TRP A O 1275 C CB . TRP A 206 ? 0.2519 0.2508 0.3238 -0.0491 -0.0126 -0.0507 229 TRP A CB 1276 C CG . TRP A 206 ? 0.3484 0.3142 0.4053 -0.0520 -0.0043 -0.0586 229 TRP A CG 1277 C CD1 . TRP A 206 ? 0.4173 0.3749 0.4685 -0.0612 -0.0049 -0.0711 229 TRP A CD1 1278 C CD2 . TRP A 206 ? 0.3658 0.3001 0.4110 -0.0461 0.0055 -0.0543 229 TRP A CD2 1279 N NE1 . TRP A 206 ? 0.4262 0.3468 0.4638 -0.0609 0.0040 -0.0746 229 TRP A NE1 1280 C CE2 . TRP A 206 ? 0.4464 0.3523 0.4796 -0.0516 0.0101 -0.0634 229 TRP A CE2 1281 C CE3 . TRP A 206 ? 0.3413 0.2681 0.3838 -0.0370 0.0101 -0.0436 229 TRP A CE3 1282 C CZ2 . TRP A 206 ? 0.3998 0.2689 0.4182 -0.0475 0.0186 -0.0603 229 TRP A CZ2 1283 C CZ3 . TRP A 206 ? 0.3560 0.2493 0.3829 -0.0336 0.0184 -0.0411 229 TRP A CZ3 1284 C CH2 . TRP A 206 ? 0.3901 0.2542 0.4049 -0.0385 0.0223 -0.0485 229 TRP A CH2 1285 N N . TRP A 207 ? 0.2932 0.3603 0.4165 -0.0537 -0.0300 -0.0367 230 TRP A N 1286 C CA . TRP A 207 ? 0.2893 0.3769 0.4185 -0.0459 -0.0398 -0.0269 230 TRP A CA 1287 C C . TRP A 207 ? 0.1919 0.2984 0.3501 -0.0463 -0.0428 -0.0213 230 TRP A C 1288 O O . TRP A 207 ? 0.1682 0.2955 0.3440 -0.0541 -0.0502 -0.0239 230 TRP A O 1289 C CB . TRP A 207 ? 0.2362 0.3408 0.3564 -0.0495 -0.0516 -0.0292 230 TRP A CB 1290 C CG . TRP A 207 ? 0.2403 0.3293 0.3342 -0.0481 -0.0481 -0.0366 230 TRP A CG 1291 C CD1 . TRP A 207 ? 0.2447 0.3182 0.3276 -0.0549 -0.0431 -0.0495 230 TRP A CD1 1292 C CD2 . TRP A 207 ? 0.2209 0.3097 0.2978 -0.0394 -0.0494 -0.0327 230 TRP A CD2 1293 N NE1 . TRP A 207 ? 0.2646 0.3280 0.3254 -0.0491 -0.0412 -0.0542 230 TRP A NE1 1294 C CE2 . TRP A 207 ? 0.2356 0.3099 0.2930 -0.0399 -0.0446 -0.0441 230 TRP A CE2 1295 C CE3 . TRP A 207 ? 0.2268 0.3261 0.3044 -0.0317 -0.0537 -0.0210 230 TRP A CE3 1296 C CZ2 . TRP A 207 ? 0.2576 0.3313 0.2978 -0.0323 -0.0437 -0.0448 230 TRP A CZ2 1297 C CZ3 . TRP A 207 ? 0.1802 0.2782 0.2397 -0.0260 -0.0527 -0.0210 230 TRP A CZ3 1298 C CH2 . TRP A 207 ? 0.3387 0.4257 0.3806 -0.0260 -0.0476 -0.0330 230 TRP A CH2 1299 N N . GLY A 208 ? 0.2141 0.3146 0.3784 -0.0375 -0.0374 -0.0143 231 GLY A N 1300 C CA . GLY A 208 ? 0.2610 0.3777 0.4542 -0.0360 -0.0384 -0.0105 231 GLY A CA 1301 C C . GLY A 208 ? 0.2184 0.3524 0.4216 -0.0284 -0.0512 -0.0005 231 GLY A C 1302 O O . GLY A 208 ? 0.2167 0.3515 0.4033 -0.0260 -0.0589 0.0041 231 GLY A O 1303 N N . GLY A 209 ? 0.1724 0.3203 0.4039 -0.0249 -0.0532 0.0027 232 GLY A N 1304 C CA . GLY A 209 ? 0.1857 0.3447 0.4281 -0.0164 -0.0647 0.0134 232 GLY A CA 1305 C C . GLY A 209 ? 0.1712 0.3481 0.4110 -0.0197 -0.0799 0.0173 232 GLY A C 1306 O O . GLY A 209 ? 0.1294 0.3178 0.3708 -0.0292 -0.0838 0.0110 232 GLY A O 1307 N N . GLN A 210 ? 0.1280 0.3032 0.3575 -0.0124 -0.0866 0.0268 233 GLN A N 1308 C CA . GLN A 210 ? 0.1776 0.3660 0.3996 -0.0141 -0.0990 0.0309 233 GLN A CA 1309 C C . GLN A 210 ? 0.1916 0.3718 0.3878 -0.0123 -0.1038 0.0395 233 GLN A C 1310 O O . GLN A 210 ? 0.2010 0.3710 0.3950 -0.0053 -0.1039 0.0479 233 GLN A O 1311 C CB . GLN A 210 ? 0.1486 0.3460 0.3903 -0.0080 -0.1034 0.0341 233 GLN A CB 1312 C CG . GLN A 210 ? 0.1647 0.3767 0.4016 -0.0096 -0.1169 0.0381 233 GLN A CG 1313 C CD . GLN A 210 ? 0.1733 0.3941 0.4317 -0.0022 -0.1222 0.0418 233 GLN A CD 1314 O OE1 . GLN A 210 ? 0.2029 0.4387 0.4843 -0.0032 -0.1205 0.0347 233 GLN A OE1 1315 N NE2 . GLN A 210 ? 0.1833 0.3951 0.4358 0.0047 -0.1282 0.0529 233 GLN A NE2 1316 N N . PRO A 211 ? 0.2180 0.4029 0.3947 -0.0195 -0.1075 0.0370 234 PRO A N 1317 C CA . PRO A 211 ? 0.1781 0.3572 0.3300 -0.0189 -0.1103 0.0445 234 PRO A CA 1318 C C . PRO A 211 ? 0.2156 0.3989 0.3650 -0.0167 -0.1197 0.0544 234 PRO A C 1319 O O . PRO A 211 ? 0.2888 0.4843 0.4502 -0.0172 -0.1271 0.0536 234 PRO A O 1320 C CB . PRO A 211 ? 0.1717 0.3585 0.3055 -0.0283 -0.1119 0.0368 234 PRO A CB 1321 C CG . PRO A 211 ? 0.1685 0.3683 0.3163 -0.0348 -0.1157 0.0277 234 PRO A CG 1322 C CD . PRO A 211 ? 0.1561 0.3531 0.3323 -0.0300 -0.1099 0.0266 234 PRO A CD 1323 N N . ILE A 212 ? 0.2578 0.4316 0.3919 -0.0150 -0.1198 0.0640 235 ILE A N 1324 C CA . ILE A 212 ? 0.2326 0.4068 0.3639 -0.0136 -0.1286 0.0760 235 ILE A CA 1325 C C . ILE A 212 ? 0.2168 0.4075 0.3406 -0.0194 -0.1394 0.0760 235 ILE A C 1326 O O . ILE A 212 ? 0.2389 0.4343 0.3697 -0.0169 -0.1489 0.0838 235 ILE A O 1327 C CB . ILE A 212 ? 0.2380 0.4008 0.3518 -0.0146 -0.1260 0.0857 235 ILE A CB 1328 C CG1 . ILE A 212 ? 0.2773 0.4369 0.3922 -0.0134 -0.1346 0.0998 235 ILE A CG1 1329 C CG2 . ILE A 212 ? 0.2199 0.3893 0.3080 -0.0226 -0.1243 0.0831 235 ILE A CG2 1330 C CD1 . ILE A 212 ? 0.2491 0.4028 0.3891 -0.0051 -0.1366 0.1017 235 ILE A CD1 1331 N N . TRP A 213 ? 0.2247 0.4243 0.3343 -0.0270 -0.1388 0.0668 236 TRP A N 1332 C CA . TRP A 213 ? 0.2383 0.4533 0.3388 -0.0333 -0.1492 0.0658 236 TRP A CA 1333 C C . TRP A 213 ? 0.2390 0.4666 0.3635 -0.0318 -0.1554 0.0594 236 TRP A C 1334 O O . TRP A 213 ? 0.2967 0.5366 0.4207 -0.0335 -0.1668 0.0625 236 TRP A O 1335 C CB . TRP A 213 ? 0.3000 0.5207 0.3772 -0.0427 -0.1466 0.0563 236 TRP A CB 1336 C CG . TRP A 213 ? 0.2855 0.5050 0.3686 -0.0454 -0.1387 0.0415 236 TRP A CG 1337 C CD1 . TRP A 213 ? 0.2254 0.4534 0.3227 -0.0498 -0.1406 0.0297 236 TRP A CD1 1338 C CD2 . TRP A 213 ? 0.2252 0.4351 0.2997 -0.0450 -0.1281 0.0371 236 TRP A CD2 1339 N NE1 . TRP A 213 ? 0.2335 0.4554 0.3309 -0.0531 -0.1314 0.0190 236 TRP A NE1 1340 C CE2 . TRP A 213 ? 0.2599 0.4713 0.3431 -0.0494 -0.1242 0.0235 236 TRP A CE2 1341 C CE3 . TRP A 213 ? 0.2242 0.4252 0.2852 -0.0420 -0.1216 0.0433 236 TRP A CE3 1342 C CZ2 . TRP A 213 ? 0.2416 0.4455 0.3193 -0.0499 -0.1149 0.0165 236 TRP A CZ2 1343 C CZ3 . TRP A 213 ? 0.2287 0.4242 0.2855 -0.0413 -0.1125 0.0356 236 TRP A CZ3 1344 C CH2 . TRP A 213 ? 0.2707 0.4676 0.3355 -0.0447 -0.1097 0.0227 236 TRP A CH2 1345 N N . HIS A 214 ? 0.2281 0.4542 0.3743 -0.0291 -0.1482 0.0510 237 HIS A N 1346 C CA . HIS A 214 ? 0.2714 0.5116 0.4442 -0.0275 -0.1527 0.0457 237 HIS A CA 1347 C C . HIS A 214 ? 0.2639 0.5022 0.4537 -0.0172 -0.1566 0.0563 237 HIS A C 1348 O O . HIS A 214 ? 0.2866 0.5401 0.4911 -0.0151 -0.1661 0.0570 237 HIS A O 1349 C CB . HIS A 214 ? 0.2018 0.4428 0.3925 -0.0302 -0.1425 0.0333 237 HIS A CB 1350 C CG . HIS A 214 ? 0.2817 0.5286 0.4632 -0.0420 -0.1418 0.0207 237 HIS A CG 1351 N ND1 . HIS A 214 ? 0.3214 0.5756 0.4829 -0.0489 -0.1506 0.0187 237 HIS A ND1 1352 C CD2 . HIS A 214 ? 0.2029 0.4471 0.3911 -0.0490 -0.1331 0.0094 237 HIS A CD2 1353 C CE1 . HIS A 214 ? 0.3399 0.5950 0.4960 -0.0594 -0.1474 0.0056 237 HIS A CE1 1354 N NE2 . HIS A 214 ? 0.2716 0.5201 0.4439 -0.0600 -0.1370 0.0002 237 HIS A NE2 1355 N N . THR A 215 ? 0.2166 0.4364 0.4052 -0.0107 -0.1498 0.0640 238 THR A N 1356 C CA . THR A 215 ? 0.2239 0.4391 0.4282 -0.0014 -0.1538 0.0736 238 THR A CA 1357 C C . THR A 215 ? 0.2497 0.4710 0.4451 -0.0013 -0.1681 0.0849 238 THR A C 1358 O O . THR A 215 ? 0.2621 0.4926 0.4758 0.0047 -0.1769 0.0886 238 THR A O 1359 C CB . THR A 215 ? 0.2965 0.4891 0.4976 0.0033 -0.1446 0.0790 238 THR A CB 1360 O OG1 . THR A 215 ? 0.2845 0.4721 0.4909 0.0025 -0.1320 0.0686 238 THR A OG1 1361 C CG2 . THR A 215 ? 0.2220 0.4074 0.4424 0.0128 -0.1475 0.0864 238 THR A CG2 1362 N N . ALA A 216 ? 0.2602 0.4784 0.4276 -0.0081 -0.1709 0.0903 239 ALA A N 1363 C CA . ALA A 216 ? 0.2882 0.5126 0.4430 -0.0100 -0.1844 0.1017 239 ALA A CA 1364 C C . ALA A 216 ? 0.3007 0.5483 0.4628 -0.0123 -0.1954 0.0951 239 ALA A C 1365 O O . ALA A 216 ? 0.3200 0.5765 0.4926 -0.0075 -0.2076 0.1024 239 ALA A O 1366 C CB . ALA A 216 ? 0.2964 0.5149 0.4186 -0.0188 -0.1824 0.1070 239 ALA A CB 1367 N N . SER A 217 ? 0.2917 0.5492 0.4491 -0.0200 -0.1917 0.0810 240 SER A N 1368 C CA . SER A 217 ? 0.3304 0.6100 0.4927 -0.0247 -0.2020 0.0727 240 SER A CA 1369 C C . SER A 217 ? 0.3021 0.5961 0.4992 -0.0172 -0.2064 0.0690 240 SER A C 1370 O O . SER A 217 ? 0.3221 0.6334 0.5271 -0.0155 -0.2201 0.0713 240 SER A O 1371 C CB . SER A 217 ? 0.2946 0.5781 0.4480 -0.0351 -0.1952 0.0566 240 SER A CB 1372 O OG . SER A 217 ? 0.5735 0.8778 0.7390 -0.0399 -0.2040 0.0460 240 SER A OG 1373 N N . TYR A 218 ? 0.2853 0.5741 0.5037 -0.0126 -0.1947 0.0633 241 TYR A N 1374 C CA . TYR A 218 ? 0.2757 0.5798 0.5281 -0.0059 -0.1962 0.0591 241 TYR A CA 1375 C C . TYR A 218 ? 0.2939 0.5979 0.5565 0.0052 -0.2067 0.0730 241 TYR A C 1376 O O . TYR A 218 ? 0.2996 0.6222 0.5890 0.0109 -0.2125 0.0705 241 TYR A O 1377 C CB . TYR A 218 ? 0.2501 0.5452 0.5196 -0.0034 -0.1800 0.0524 241 TYR A CB 1378 C CG . TYR A 218 ? 0.2336 0.5285 0.4976 -0.0139 -0.1693 0.0392 241 TYR A CG 1379 C CD1 . TYR A 218 ? 0.2415 0.5495 0.4958 -0.0248 -0.1748 0.0297 241 TYR A CD1 1380 C CD2 . TYR A 218 ? 0.2130 0.4931 0.4815 -0.0132 -0.1543 0.0358 241 TYR A CD2 1381 C CE1 . TYR A 218 ? 0.2376 0.5427 0.4879 -0.0350 -0.1654 0.0174 241 TYR A CE1 1382 C CE2 . TYR A 218 ? 0.2194 0.4978 0.4835 -0.0229 -0.1452 0.0249 241 TYR A CE2 1383 C CZ . TYR A 218 ? 0.2679 0.5582 0.5231 -0.0339 -0.1506 0.0159 241 TYR A CZ 1384 O OH . TYR A 218 ? 0.3575 0.6428 0.6086 -0.0442 -0.1415 0.0051 241 TYR A OH 1385 N N . GLN A 219 ? 0.3040 0.5875 0.5477 0.0081 -0.2087 0.0875 242 GLN A N 1386 C CA . GLN A 219 ? 0.3248 0.6042 0.5774 0.0180 -0.2190 0.1017 242 GLN A CA 1387 C C . GLN A 219 ? 0.3554 0.6384 0.5855 0.0147 -0.2344 0.1139 242 GLN A C 1388 O O . GLN A 219 ? 0.3758 0.6476 0.6030 0.0204 -0.2420 0.1293 242 GLN A O 1389 C CB . GLN A 219 ? 0.3162 0.5684 0.5699 0.0240 -0.2094 0.1093 242 GLN A CB 1390 C CG . GLN A 219 ? 0.2900 0.5390 0.5669 0.0280 -0.1948 0.0976 242 GLN A CG 1391 C CD . GLN A 219 ? 0.2802 0.5012 0.5545 0.0320 -0.1840 0.1022 242 GLN A CD 1392 O OE1 . GLN A 219 ? 0.2965 0.5027 0.5687 0.0369 -0.1893 0.1147 242 GLN A OE1 1393 N NE2 . GLN A 219 ? 0.2553 0.4691 0.5301 0.0293 -0.1691 0.0919 242 GLN A NE2 1394 N N . GLY A 220 ? 0.3617 0.6594 0.5753 0.0049 -0.2392 0.1071 243 GLY A N 1395 C CA . GLY A 220 ? 0.3945 0.7014 0.5893 0.0015 -0.2553 0.1166 243 GLY A CA 1396 C C . GLY A 220 ? 0.4072 0.6994 0.5642 -0.0075 -0.2541 0.1266 243 GLY A C 1397 O O . GLY A 220 ? 0.4378 0.7369 0.5767 -0.0110 -0.2671 0.1360 243 GLY A O 1398 N N . LEU A 221 ? 0.3864 0.6606 0.5309 -0.0115 -0.2390 0.1247 244 LEU A N 1399 C CA . LEU A 221 ? 0.3962 0.6598 0.5064 -0.0208 -0.2355 0.1322 244 LEU A CA 1400 C C . LEU A 221 ? 0.3872 0.6594 0.4797 -0.0316 -0.2291 0.1174 244 LEU A C 1401 O O . LEU A 221 ? 0.3709 0.6530 0.4782 -0.0322 -0.2261 0.1016 244 LEU A O 1402 C CB . LEU A 221 ? 0.3811 0.6210 0.4896 -0.0184 -0.2235 0.1394 244 LEU A CB 1403 C CG . LEU A 221 ? 0.3893 0.6165 0.5167 -0.0081 -0.2280 0.1524 244 LEU A CG 1404 C CD1 . LEU A 221 ? 0.3753 0.5791 0.4985 -0.0083 -0.2156 0.1575 244 LEU A CD1 1405 C CD2 . LEU A 221 ? 0.4283 0.6594 0.5459 -0.0080 -0.2446 0.1689 244 LEU A CD2 1406 N N . LYS A 222 ? 0.3995 0.6675 0.4603 -0.0408 -0.2262 0.1221 245 LYS A N 1407 C CA . LYS A 222 ? 0.3934 0.6674 0.4352 -0.0509 -0.2187 0.1081 245 LYS A CA 1408 C C . LYS A 222 ? 0.3746 0.6335 0.4038 -0.0533 -0.2031 0.1075 245 LYS A C 1409 O O . LYS A 222 ? 0.3792 0.6265 0.4010 -0.0524 -0.2007 0.1212 245 LYS A O 1410 C CB . LYS A 222 ? 0.4269 0.7144 0.4412 -0.0606 -0.2282 0.1103 245 LYS A CB 1411 C CG . LYS A 222 ? 0.4490 0.7530 0.4757 -0.0576 -0.2459 0.1118 245 LYS A CG 1412 C CD . LYS A 222 ? 0.5947 0.9121 0.5920 -0.0676 -0.2561 0.1147 245 LYS A CD 1413 C CE . LYS A 222 ? 0.6305 0.9685 0.6404 -0.0671 -0.2719 0.1075 245 LYS A CE 1414 N NZ . LYS A 222 ? 0.6331 0.9805 0.6459 -0.0743 -0.2673 0.0853 245 LYS A NZ 1415 N N . ALA A 223 ? 0.3555 0.6152 0.3829 -0.0569 -0.1931 0.0914 246 ALA A N 1416 C CA . ALA A 223 ? 0.3370 0.5851 0.3546 -0.0582 -0.1787 0.0885 246 ALA A CA 1417 C C . ALA A 223 ? 0.4182 0.6744 0.4114 -0.0681 -0.1732 0.0757 246 ALA A C 1418 O O . ALA A 223 ? 0.3579 0.6238 0.3521 -0.0723 -0.1763 0.0624 246 ALA A O 1419 C CB . ALA A 223 ? 0.3057 0.5437 0.3480 -0.0505 -0.1703 0.0811 246 ALA A CB 1420 N N . ALA A 224 ? 0.3457 0.5986 0.3181 -0.0723 -0.1646 0.0789 247 ALA A N 1421 C CA . ALA A 224 ? 0.3537 0.6148 0.3022 -0.0809 -0.1575 0.0662 247 ALA A CA 1422 C C . ALA A 224 ? 0.3641 0.6165 0.3110 -0.0784 -0.1434 0.0616 247 ALA A C 1423 O O . ALA A 224 ? 0.3732 0.6178 0.3223 -0.0753 -0.1399 0.0737 247 ALA A O 1424 C CB . ALA A 224 ? 0.3863 0.6584 0.3076 -0.0898 -0.1615 0.0740 247 ALA A CB 1425 N N . THR A 225 ? 0.3436 0.5969 0.2882 -0.0797 -0.1360 0.0439 248 THR A N 1426 C CA . THR A 225 ? 0.3357 0.5826 0.2789 -0.0764 -0.1235 0.0379 248 THR A CA 1427 C C . THR A 225 ? 0.3520 0.6092 0.2701 -0.0833 -0.1152 0.0246 248 THR A C 1428 O O . THR A 225 ? 0.3490 0.6110 0.2600 -0.0878 -0.1153 0.0088 248 THR A O 1429 C CB . THR A 225 ? 0.3397 0.5771 0.3033 -0.0705 -0.1207 0.0278 248 THR A CB 1430 O OG1 . THR A 225 ? 0.4051 0.6481 0.3666 -0.0762 -0.1233 0.0122 248 THR A OG1 1431 C CG2 . THR A 225 ? 0.2647 0.4930 0.2547 -0.0630 -0.1264 0.0394 248 THR A CG2 1432 N N . TYR A 226 ? 0.3189 0.5797 0.2248 -0.0843 -0.1073 0.0293 249 TYR A N 1433 C CA . TYR A 226 ? 0.3281 0.5989 0.2150 -0.0881 -0.0964 0.0134 249 TYR A CA 1434 C C . TYR A 226 ? 0.3645 0.6276 0.2611 -0.0798 -0.0869 0.0032 249 TYR A C 1435 O O . TYR A 226 ? 0.3261 0.5912 0.2220 -0.0769 -0.0795 0.0071 249 TYR A O 1436 C CB . TYR A 226 ? 0.3863 0.6700 0.2545 -0.0951 -0.0920 0.0214 249 TYR A CB 1437 C CG . TYR A 226 ? 0.4129 0.7100 0.2607 -0.1011 -0.0844 0.0029 249 TYR A CG 1438 C CD1 . TYR A 226 ? 0.4359 0.7324 0.2833 -0.0962 -0.0732 -0.0174 249 TYR A CD1 1439 C CD2 . TYR A 226 ? 0.4356 0.7444 0.2651 -0.1108 -0.0890 0.0041 249 TYR A CD2 1440 C CE1 . TYR A 226 ? 0.4479 0.7543 0.2783 -0.1007 -0.0658 -0.0367 249 TYR A CE1 1441 C CE2 . TYR A 226 ? 0.4741 0.7943 0.2856 -0.1162 -0.0818 -0.0142 249 TYR A CE2 1442 C CZ . TYR A 226 ? 0.4676 0.7860 0.2803 -0.1110 -0.0699 -0.0350 249 TYR A CZ 1443 O OH . TYR A 226 ? 0.4736 0.8017 0.2697 -0.1157 -0.0625 -0.0546 249 TYR A OH 1444 N N . PHE A 227 ? 0.3579 0.6130 0.2634 -0.0767 -0.0876 -0.0107 250 PHE A N 1445 C CA . PHE A 227 ? 0.2868 0.5325 0.2022 -0.0685 -0.0806 -0.0212 250 PHE A CA 1446 C C . PHE A 227 ? 0.3720 0.6074 0.3091 -0.0615 -0.0845 -0.0051 250 PHE A C 1447 O O . PHE A 227 ? 0.3756 0.6114 0.3149 -0.0608 -0.0858 0.0116 250 PHE A O 1448 C CB . PHE A 227 ? 0.2777 0.5300 0.1807 -0.0650 -0.0682 -0.0321 250 PHE A CB 1449 C CG . PHE A 227 ? 0.3169 0.5787 0.2001 -0.0703 -0.0618 -0.0496 250 PHE A CG 1450 C CD1 . PHE A 227 ? 0.3625 0.6236 0.2390 -0.0776 -0.0668 -0.0586 250 PHE A CD1 1451 C CD2 . PHE A 227 ? 0.3603 0.6325 0.2331 -0.0680 -0.0502 -0.0580 250 PHE A CD2 1452 C CE1 . PHE A 227 ? 0.3476 0.6165 0.2063 -0.0824 -0.0603 -0.0753 250 PHE A CE1 1453 C CE2 . PHE A 227 ? 0.3346 0.6156 0.1914 -0.0722 -0.0431 -0.0750 250 PHE A CE2 1454 C CZ . PHE A 227 ? 0.3540 0.6321 0.2033 -0.0794 -0.0483 -0.0835 250 PHE A CZ 1455 N N . TRP A 228 ? 0.3158 0.5396 0.2695 -0.0570 -0.0853 -0.0106 251 TRP A N 1456 C CA . TRP A 228 ? 0.2927 0.5011 0.2675 -0.0479 -0.0838 0.0000 251 TRP A CA 1457 C C . TRP A 228 ? 0.2655 0.4536 0.2528 -0.0432 -0.0781 -0.0121 251 TRP A C 1458 O O . TRP A 228 ? 0.3096 0.4990 0.2977 -0.0496 -0.0819 -0.0205 251 TRP A O 1459 C CB . TRP A 228 ? 0.2120 0.4223 0.2001 -0.0491 -0.0944 0.0188 251 TRP A CB 1460 C CG . TRP A 228 ? 0.1929 0.3915 0.1979 -0.0408 -0.0922 0.0294 251 TRP A CG 1461 C CD1 . TRP A 228 ? 0.1775 0.3627 0.2026 -0.0344 -0.0901 0.0283 251 TRP A CD1 1462 C CD2 . TRP A 228 ? 0.2550 0.4506 0.2573 -0.0382 -0.0890 0.0408 251 TRP A CD2 1463 N NE1 . TRP A 228 ? 0.1745 0.3513 0.2091 -0.0278 -0.0878 0.0385 251 TRP A NE1 1464 C CE2 . TRP A 228 ? 0.2157 0.3975 0.2369 -0.0302 -0.0872 0.0458 251 TRP A CE2 1465 C CE3 . TRP A 228 ? 0.2032 0.4071 0.1896 -0.0432 -0.0875 0.0473 251 TRP A CE3 1466 C CZ2 . TRP A 228 ? 0.2682 0.4431 0.2923 -0.0272 -0.0843 0.0555 251 TRP A CZ2 1467 C CZ3 . TRP A 228 ? 0.1973 0.3957 0.1880 -0.0410 -0.0846 0.0583 251 TRP A CZ3 1468 C CH2 . TRP A 228 ? 0.1803 0.3638 0.1895 -0.0332 -0.0834 0.0617 251 TRP A CH2 1469 N N . PRO A 229 ? 0.2730 0.4427 0.2682 -0.0331 -0.0688 -0.0136 252 PRO A N 1470 C CA . PRO A 229 ? 0.2673 0.4153 0.2725 -0.0294 -0.0631 -0.0226 252 PRO A CA 1471 C C . PRO A 229 ? 0.2508 0.4002 0.2738 -0.0343 -0.0704 -0.0167 252 PRO A C 1472 O O . PRO A 229 ? 0.2979 0.4532 0.3341 -0.0327 -0.0761 -0.0029 252 PRO A O 1473 C CB . PRO A 229 ? 0.2644 0.3967 0.2749 -0.0181 -0.0552 -0.0187 252 PRO A CB 1474 C CG . PRO A 229 ? 0.2294 0.3750 0.2276 -0.0158 -0.0534 -0.0170 252 PRO A CG 1475 C CD . PRO A 229 ? 0.2540 0.4223 0.2477 -0.0257 -0.0633 -0.0074 252 PRO A CD 1476 N N . GLY A 230 ? 0.2890 0.4342 0.3135 -0.0407 -0.0704 -0.0281 253 GLY A N 1477 C CA . GLY A 230 ? 0.2114 0.3621 0.2550 -0.0466 -0.0770 -0.0250 253 GLY A CA 1478 C C . GLY A 230 ? 0.2601 0.4350 0.3011 -0.0571 -0.0898 -0.0251 253 GLY A C 1479 O O . GLY A 230 ? 0.2500 0.4312 0.3053 -0.0639 -0.0951 -0.0283 253 GLY A O 1480 N N . SER A 231 ? 0.3006 0.4906 0.3229 -0.0594 -0.0949 -0.0220 254 SER A N 1481 C CA . SER A 231 ? 0.2827 0.4973 0.3003 -0.0692 -0.1091 -0.0184 254 SER A CA 1482 C C . SER A 231 ? 0.2669 0.4852 0.2753 -0.0796 -0.1102 -0.0365 254 SER A C 1483 O O . SER A 231 ? 0.3091 0.5381 0.3185 -0.0852 -0.1194 -0.0346 254 SER A O 1484 C CB . SER A 231 ? 0.3174 0.5393 0.3143 -0.0679 -0.1103 -0.0089 254 SER A CB 1485 O OG . SER A 231 ? 0.3358 0.5594 0.3096 -0.0704 -0.1024 -0.0228 254 SER A OG 1486 N N . GLU A 232 ? 0.3023 0.5014 0.3016 -0.0785 -0.0977 -0.0531 255 GLU A N 1487 C CA . GLU A 232 ? 0.3313 0.5297 0.3234 -0.0889 -0.0979 -0.0719 255 GLU A CA 1488 C C . GLU A 232 ? 0.2887 0.4721 0.3022 -0.0918 -0.0947 -0.0777 255 GLU A C 1489 O O . GLU A 232 ? 0.3727 0.5500 0.3826 -0.1009 -0.0930 -0.0942 255 GLU A O 1490 C CB . GLU A 232 ? 0.3612 0.5463 0.3306 -0.0868 -0.0865 -0.0887 255 GLU A CB 1491 C CG . GLU A 232 ? 0.4358 0.6371 0.3839 -0.0847 -0.0867 -0.0851 255 GLU A CG 1492 C CD . GLU A 232 ? 0.5979 0.7829 0.5336 -0.0760 -0.0724 -0.0977 255 GLU A CD 1493 O OE1 . GLU A 232 ? 0.6108 0.7917 0.5328 -0.0804 -0.0681 -0.1176 255 GLU A OE1 1494 O OE2 . GLU A 232 ? 0.6312 0.8077 0.5723 -0.0645 -0.0660 -0.0887 255 GLU A OE2 1495 N N . VAL A 233 ? 0.3636 0.5415 0.3990 -0.0853 -0.0934 -0.0651 256 VAL A N 1496 C CA . VAL A 233 ? 0.3234 0.4891 0.3805 -0.0884 -0.0887 -0.0688 256 VAL A CA 1497 C C . VAL A 233 ? 0.2825 0.4743 0.3628 -0.0948 -0.1018 -0.0615 256 VAL A C 1498 O O . VAL A 233 ? 0.2513 0.4620 0.3370 -0.0904 -0.1121 -0.0468 256 VAL A O 1499 C CB . VAL A 233 ? 0.3043 0.4473 0.3696 -0.0766 -0.0771 -0.0608 256 VAL A CB 1500 C CG1 . VAL A 233 ? 0.2954 0.4253 0.3798 -0.0813 -0.0704 -0.0649 256 VAL A CG1 1501 C CG2 . VAL A 233 ? 0.3254 0.4466 0.3686 -0.0681 -0.0667 -0.0662 256 VAL A CG2 1502 N N . LYS A 234 ? 0.2552 0.4479 0.3505 -0.1052 -0.1016 -0.0715 257 LYS A N 1503 C CA . LYS A 234 ? 0.2848 0.5049 0.4068 -0.1113 -0.1139 -0.0668 257 LYS A CA 1504 C C . LYS A 234 ? 0.2772 0.4931 0.4267 -0.1031 -0.1079 -0.0562 257 LYS A C 1505 O O . LYS A 234 ? 0.2284 0.4448 0.4003 -0.1091 -0.1033 -0.0614 257 LYS A O 1506 C CB . LYS A 234 ? 0.3345 0.5564 0.4602 -0.1258 -0.1150 -0.0825 257 LYS A CB 1507 C CG . LYS A 234 ? 0.3803 0.6237 0.5175 -0.1279 -0.1295 -0.0774 257 LYS A CG 1508 C CD . LYS A 234 ? 0.4448 0.6869 0.5841 -0.1425 -0.1292 -0.0934 257 LYS A CD 1509 C CE . LYS A 234 ? 0.5040 0.7673 0.6729 -0.1452 -0.1398 -0.0888 257 LYS A CE 1510 N NZ . LYS A 234 ? 0.4827 0.7436 0.6819 -0.1500 -0.1305 -0.0903 257 LYS A NZ 1511 N N . ILE A 235 ? 0.2162 0.4277 0.3629 -0.0898 -0.1070 -0.0421 258 ILE A N 1512 C CA . ILE A 235 ? 0.1977 0.4041 0.3672 -0.0808 -0.1009 -0.0329 258 ILE A CA 1513 C C . ILE A 235 ? 0.2864 0.5205 0.4898 -0.0833 -0.1114 -0.0288 258 ILE A C 1514 O O . ILE A 235 ? 0.2407 0.4895 0.4432 -0.0788 -0.1236 -0.0236 258 ILE A O 1515 C CB . ILE A 235 ? 0.2706 0.4700 0.4296 -0.0676 -0.1009 -0.0192 258 ILE A CB 1516 C CG1 . ILE A 235 ? 0.2560 0.4302 0.3860 -0.0641 -0.0895 -0.0243 258 ILE A CG1 1517 C CG2 . ILE A 235 ? 0.1691 0.3660 0.3520 -0.0585 -0.0965 -0.0104 258 ILE A CG2 1518 C CD1 . ILE A 235 ? 0.1801 0.3500 0.2985 -0.0530 -0.0895 -0.0122 258 ILE A CD1 1519 N N . ASN A 236 ? 0.2214 0.4529 0.4494 -0.0853 -0.1018 -0.0332 259 ASN A N 1520 C CA . ASN A 236 ? 0.2547 0.5113 0.5106 -0.0855 -0.1062 -0.0309 259 ASN A CA 1521 C C . ASN A 236 ? 0.2421 0.5169 0.4971 -0.0917 -0.1183 -0.0398 259 ASN A C 1522 O O . ASN A 236 ? 0.2068 0.5043 0.4756 -0.0872 -0.1262 -0.0377 259 ASN A O 1523 C CB . ASN A 236 ? 0.3523 0.6098 0.6151 -0.0680 -0.1069 -0.0177 259 ASN A CB 1524 C CG . ASN A 236 ? 0.4546 0.7356 0.7374 -0.0615 -0.1139 -0.0137 259 ASN A CG 1525 O OD1 . ASN A 236 ? 0.5321 0.8190 0.8075 -0.0538 -0.1247 -0.0072 259 ASN A OD1 1526 N ND2 . ASN A 236 ? 0.4925 0.7818 0.7996 -0.0628 -0.1069 -0.0161 259 ASN A ND2 1527 N N . GLY A 237 ? 0.2359 0.4965 0.4719 -0.1040 -0.1213 -0.0452 260 GLY A N 1528 C CA . GLY A 237 ? 0.2695 0.5395 0.5005 -0.1137 -0.1309 -0.0531 260 GLY A CA 1529 C C . GLY A 237 ? 0.3278 0.6056 0.5372 -0.1089 -0.1446 -0.0499 260 GLY A C 1530 O O . GLY A 237 ? 0.2731 0.5624 0.4806 -0.1157 -0.1546 -0.0552 260 GLY A O 1531 N N . SER A 238 ? 0.2879 0.5596 0.4783 -0.0985 -0.1445 -0.0405 261 SER A N 1532 C CA . SER A 238 ? 0.2694 0.5474 0.4355 -0.0960 -0.1555 -0.0355 261 SER A CA 1533 C C . SER A 238 ? 0.2563 0.5209 0.3940 -0.0906 -0.1499 -0.0288 261 SER A C 1534 O O . SER A 238 ? 0.2373 0.4898 0.3777 -0.0858 -0.1400 -0.0257 261 SER A O 1535 C CB . SER A 238 ? 0.3178 0.6131 0.4998 -0.0864 -0.1679 -0.0255 261 SER A CB 1536 O OG . SER A 238 ? 0.4158 0.7074 0.6078 -0.0730 -0.1638 -0.0136 261 SER A OG 1537 N N . TYR A 239 ? 0.2754 0.5439 0.3863 -0.0921 -0.1566 -0.0268 262 TYR A N 1538 C CA . TYR A 239 ? 0.3343 0.5954 0.4148 -0.0895 -0.1531 -0.0217 262 TYR A CA 1539 C C . TYR A 239 ? 0.3828 0.6478 0.4605 -0.0800 -0.1602 -0.0036 262 TYR A C 1540 O O . TYR A 239 ? 0.2883 0.5640 0.3817 -0.0766 -0.1703 0.0026 262 TYR A O 1541 C CB . TYR A 239 ? 0.3050 0.5698 0.3574 -0.1000 -0.1544 -0.0338 262 TYR A CB 1542 C CG . TYR A 239 ? 0.3094 0.5660 0.3589 -0.1100 -0.1461 -0.0540 262 TYR A CG 1543 C CD1 . TYR A 239 ? 0.3239 0.5646 0.3658 -0.1091 -0.1330 -0.0616 262 TYR A CD1 1544 C CD2 . TYR A 239 ? 0.3584 0.6215 0.4119 -0.1205 -0.1512 -0.0663 262 TYR A CD2 1545 C CE1 . TYR A 239 ? 0.3420 0.5702 0.3802 -0.1176 -0.1244 -0.0814 262 TYR A CE1 1546 C CE2 . TYR A 239 ? 0.3375 0.5883 0.3872 -0.1303 -0.1422 -0.0857 262 TYR A CE2 1547 C CZ . TYR A 239 ? 0.4650 0.6966 0.5068 -0.1284 -0.1285 -0.0932 262 TYR A CZ 1548 O OH . TYR A 239 ? 0.5724 0.7860 0.6099 -0.1369 -0.1188 -0.1130 262 TYR A OH 1549 N N . PRO A 240 ? 0.3025 0.5591 0.3595 -0.0761 -0.1549 0.0046 263 PRO A N 1550 C CA . PRO A 240 ? 0.2976 0.5573 0.3442 -0.0716 -0.1618 0.0208 263 PRO A CA 1551 C C . PRO A 240 ? 0.3787 0.6533 0.4127 -0.0785 -0.1735 0.0197 263 PRO A C 1552 O O . PRO A 240 ? 0.4516 0.7322 0.4767 -0.0876 -0.1737 0.0052 263 PRO A O 1553 C CB . PRO A 240 ? 0.2899 0.5409 0.3122 -0.0715 -0.1525 0.0242 263 PRO A CB 1554 C CG . PRO A 240 ? 0.2726 0.5131 0.3022 -0.0702 -0.1408 0.0135 263 PRO A CG 1555 C CD . PRO A 240 ? 0.2708 0.5168 0.3109 -0.0775 -0.1430 -0.0021 263 PRO A CD 1556 N N . THR A 241 ? 0.3607 0.6405 0.3934 -0.0746 -0.1833 0.0345 264 THR A N 1557 C CA . THR A 241 ? 0.4045 0.6991 0.4229 -0.0810 -0.1956 0.0355 264 THR A CA 1558 C C . THR A 241 ? 0.4484 0.7459 0.4335 -0.0915 -0.1905 0.0267 264 THR A C 1559 O O . THR A 241 ? 0.4695 0.7778 0.4457 -0.0999 -0.1958 0.0153 264 THR A O 1560 C CB . THR A 241 ? 0.4261 0.7220 0.4420 -0.0754 -0.2049 0.0554 264 THR A CB 1561 O OG1 . THR A 241 ? 0.3625 0.6501 0.4060 -0.0641 -0.2043 0.0636 264 THR A OG1 1562 C CG2 . THR A 241 ? 0.4130 0.7265 0.4259 -0.0789 -0.2215 0.0571 264 THR A CG2 1563 N N . ILE A 242 ? 0.3795 0.6684 0.3463 -0.0913 -0.1799 0.0310 265 ILE A N 1564 C CA . ILE A 242 ? 0.4464 0.7381 0.3840 -0.0998 -0.1713 0.0204 265 ILE A CA 1565 C C . ILE A 242 ? 0.4719 0.7510 0.4114 -0.0962 -0.1565 0.0134 265 ILE A C 1566 O O . ILE A 242 ? 0.4402 0.7093 0.3935 -0.0881 -0.1530 0.0240 265 ILE A O 1567 C CB . ILE A 242 ? 0.4635 0.7620 0.3747 -0.1040 -0.1732 0.0330 265 ILE A CB 1568 C CG1 . ILE A 242 ? 0.4460 0.7565 0.3548 -0.1068 -0.1895 0.0414 265 ILE A CG1 1569 C CG2 . ILE A 242 ? 0.4329 0.7370 0.3156 -0.1125 -0.1629 0.0200 265 ILE A CG2 1570 C CD1 . ILE A 242 ? 0.4624 0.7731 0.3612 -0.1057 -0.1951 0.0634 265 ILE A CD1 1571 N N . TYR A 243 ? 0.5622 0.8415 0.4886 -0.1018 -0.1479 -0.0053 266 TYR A N 1572 C CA . TYR A 243 ? 0.4484 0.7173 0.3743 -0.0981 -0.1343 -0.0135 266 TYR A CA 1573 C C . TYR A 243 ? 0.4009 0.6735 0.3024 -0.1047 -0.1254 -0.0324 266 TYR A C 1574 O O . TYR A 243 ? 0.3948 0.6756 0.2840 -0.1127 -0.1296 -0.0419 266 TYR A O 1575 C CB . TYR A 243 ? 0.3659 0.6237 0.3177 -0.0937 -0.1327 -0.0196 266 TYR A CB 1576 C CG . TYR A 243 ? 0.3870 0.6445 0.3415 -0.1011 -0.1328 -0.0393 266 TYR A CG 1577 C CD1 . TYR A 243 ? 0.4011 0.6658 0.3699 -0.1054 -0.1438 -0.0395 266 TYR A CD1 1578 C CD2 . TYR A 243 ? 0.3420 0.5910 0.2857 -0.1037 -0.1218 -0.0588 266 TYR A CD2 1579 C CE1 . TYR A 243 ? 0.3966 0.6602 0.3685 -0.1139 -0.1435 -0.0579 266 TYR A CE1 1580 C CE2 . TYR A 243 ? 0.3858 0.6301 0.3318 -0.1113 -0.1210 -0.0774 266 TYR A CE2 1581 C CZ . TYR A 243 ? 0.4247 0.6765 0.3846 -0.1173 -0.1317 -0.0765 266 TYR A CZ 1582 O OH . TYR A 243 ? 0.5030 0.7494 0.4660 -0.1261 -0.1304 -0.0948 266 TYR A OH 1583 N N . LYS A 244 ? 0.4283 0.6951 0.3239 -0.1005 -0.1130 -0.0385 267 LYS A N 1584 C CA . LYS A 244 ? 0.3745 0.6440 0.2490 -0.1037 -0.1020 -0.0570 267 LYS A CA 1585 C C . LYS A 244 ? 0.3779 0.6326 0.2599 -0.0993 -0.0929 -0.0759 267 LYS A C 1586 O O . LYS A 244 ? 0.3410 0.5862 0.2390 -0.0919 -0.0910 -0.0708 267 LYS A O 1587 C CB . LYS A 244 ? 0.4456 0.7229 0.3066 -0.1017 -0.0942 -0.0489 267 LYS A CB 1588 C CG . LYS A 244 ? 0.4853 0.7770 0.3311 -0.1090 -0.1004 -0.0359 267 LYS A CG 1589 C CD . LYS A 244 ? 0.5877 0.8893 0.4120 -0.1175 -0.0975 -0.0535 267 LYS A CD 1590 C CE . LYS A 244 ? 0.7077 1.0253 0.5128 -0.1256 -0.1016 -0.0414 267 LYS A CE 1591 N NZ . LYS A 244 ? 0.7842 1.1135 0.5659 -0.1336 -0.0955 -0.0592 267 LYS A NZ 1592 N N . VAL A 245 ? 0.4605 0.7119 0.3307 -0.1037 -0.0873 -0.0981 268 VAL A N 1593 C CA . VAL A 245 ? 0.4665 0.6995 0.3410 -0.0990 -0.0774 -0.1182 268 VAL A CA 1594 C C . VAL A 245 ? 0.4195 0.6515 0.2880 -0.0890 -0.0655 -0.1207 268 VAL A C 1595 O O . VAL A 245 ? 0.3862 0.6306 0.2389 -0.0896 -0.0595 -0.1230 268 VAL A O 1596 C CB . VAL A 245 ? 0.4933 0.7194 0.3569 -0.1057 -0.0740 -0.1415 268 VAL A CB 1597 C CG1 . VAL A 245 ? 0.4940 0.6937 0.3640 -0.0998 -0.0637 -0.1614 268 VAL A CG1 1598 C CG2 . VAL A 245 ? 0.4223 0.6535 0.2910 -0.1163 -0.0863 -0.1393 268 VAL A CG2 1599 N N . TYR A 246 ? 0.3569 0.5750 0.2386 -0.0800 -0.0615 -0.1216 269 TYR A N 1600 C CA . TYR A 246 ? 0.3805 0.5986 0.2605 -0.0687 -0.0514 -0.1205 269 TYR A CA 1601 C C . TYR A 246 ? 0.4434 0.6622 0.3084 -0.0659 -0.0396 -0.1420 269 TYR A C 1602 O O . TYR A 246 ? 0.4630 0.6651 0.3259 -0.0661 -0.0354 -0.1616 269 TYR A O 1603 C CB . TYR A 246 ? 0.3253 0.5159 0.2272 -0.0551 -0.0460 -0.1146 269 TYR A CB 1604 C CG . TYR A 246 ? 0.3421 0.5352 0.2452 -0.0433 -0.0374 -0.1103 269 TYR A CG 1605 C CD1 . TYR A 246 ? 0.3537 0.5695 0.2535 -0.0458 -0.0406 -0.0939 269 TYR A CD1 1606 C CD2 . TYR A 246 ? 0.3548 0.5282 0.2626 -0.0300 -0.0268 -0.1227 269 TYR A CD2 1607 C CE1 . TYR A 246 ? 0.3441 0.5650 0.2464 -0.0368 -0.0327 -0.0907 269 TYR A CE1 1608 C CE2 . TYR A 246 ? 0.3825 0.5624 0.2937 -0.0191 -0.0199 -0.1193 269 TYR A CE2 1609 C CZ . TYR A 246 ? 0.3772 0.5822 0.2859 -0.0233 -0.0226 -0.1041 269 TYR A CZ 1610 O OH . TYR A 246 ? 0.3800 0.5942 0.2935 -0.0143 -0.0159 -0.1012 269 TYR A OH 1611 N N . ASN A 247 ? 0.4458 0.6824 0.3030 -0.0636 -0.0336 -0.1368 270 ASN A N 1612 C CA . ASN A 247 ? 0.3843 0.6237 0.2327 -0.0587 -0.0208 -0.1550 270 ASN A CA 1613 C C . ASN A 247 ? 0.3765 0.6317 0.2280 -0.0517 -0.0140 -0.1462 270 ASN A C 1614 O O . ASN A 247 ? 0.4037 0.6806 0.2478 -0.0596 -0.0154 -0.1326 270 ASN A O 1615 C CB . ASN A 247 ? 0.4583 0.7108 0.2903 -0.0705 -0.0216 -0.1611 270 ASN A CB 1616 C CG . ASN A 247 ? 0.6130 0.8693 0.4377 -0.0657 -0.0083 -0.1809 270 ASN A CG 1617 O OD1 . ASN A 247 ? 0.5041 0.7576 0.3374 -0.0531 0.0014 -0.1873 270 ASN A OD1 1618 N ND2 . ASN A 247 ? 0.8780 1.1415 0.6881 -0.0752 -0.0083 -0.1908 270 ASN A ND2 1619 N N . LYS A 248 ? 0.3814 0.6247 0.2443 -0.0369 -0.0066 -0.1541 271 LYS A N 1620 C CA . LYS A 248 ? 0.3437 0.6022 0.2131 -0.0293 -0.0003 -0.1467 271 LYS A CA 1621 C C . LYS A 248 ? 0.3988 0.6815 0.2602 -0.0336 0.0083 -0.1516 271 LYS A C 1622 O O . LYS A 248 ? 0.3701 0.6726 0.2345 -0.0343 0.0114 -0.1407 271 LYS A O 1623 C CB . LYS A 248 ? 0.4667 0.7051 0.3512 -0.0107 0.0062 -0.1569 271 LYS A CB 1624 C CG . LYS A 248 ? 0.4771 0.7268 0.3745 -0.0016 0.0101 -0.1459 271 LYS A CG 1625 C CD . LYS A 248 ? 0.5613 0.7804 0.4784 0.0136 0.0086 -0.1406 271 LYS A CD 1626 C CE . LYS A 248 ? 0.5586 0.7833 0.4882 0.0299 0.0167 -0.1474 271 LYS A CE 1627 N NZ . LYS A 248 ? 0.5268 0.7169 0.4701 0.0457 0.0154 -0.1478 271 LYS A NZ 1628 N N . SER A 249 ? 0.3924 0.6742 0.2435 -0.0379 0.0121 -0.1679 272 SER A N 1629 C CA . SER A 249 ? 0.4879 0.7919 0.3311 -0.0418 0.0211 -0.1762 272 SER A CA 1630 C C . SER A 249 ? 0.4781 0.8053 0.3058 -0.0590 0.0163 -0.1607 272 SER A C 1631 O O . SER A 249 ? 0.4402 0.7890 0.2608 -0.0638 0.0240 -0.1647 272 SER A O 1632 C CB . SER A 249 ? 0.4819 0.7736 0.3194 -0.0395 0.0267 -0.2004 272 SER A CB 1633 O OG . SER A 249 ? 0.6025 0.8708 0.4549 -0.0224 0.0322 -0.2143 272 SER A OG 1634 N N . THR A 250 ? 0.4628 0.7856 0.2858 -0.0679 0.0039 -0.1435 273 THR A N 1635 C CA . THR A 250 ? 0.4275 0.7681 0.2359 -0.0830 -0.0019 -0.1275 273 THR A CA 1636 C C . THR A 250 ? 0.4161 0.7761 0.2274 -0.0850 0.0030 -0.1132 273 THR A C 1637 O O . THR A 250 ? 0.4443 0.7996 0.2696 -0.0785 0.0015 -0.1019 273 THR A O 1638 C CB . THR A 250 ? 0.4665 0.7960 0.2746 -0.0892 -0.0174 -0.1104 273 THR A CB 1639 O OG1 . THR A 250 ? 0.4905 0.8038 0.2977 -0.0885 -0.0212 -0.1255 273 THR A OG1 1640 C CG2 . THR A 250 ? 0.4355 0.7804 0.2285 -0.1033 -0.0244 -0.0936 273 THR A CG2 1641 N N . PRO A 251 ? 0.4889 0.8710 0.2880 -0.0939 0.0095 -0.1148 274 PRO A N 1642 C CA . PRO A 251 ? 0.4412 0.8422 0.2426 -0.0987 0.0138 -0.1004 274 PRO A CA 1643 C C . PRO A 251 ? 0.4233 0.8168 0.2281 -0.1035 0.0020 -0.0731 274 PRO A C 1644 O O . PRO A 251 ? 0.4447 0.8296 0.2411 -0.1102 -0.0095 -0.0615 274 PRO A O 1645 C CB . PRO A 251 ? 0.4762 0.8986 0.2579 -0.1121 0.0185 -0.1035 274 PRO A CB 1646 C CG . PRO A 251 ? 0.5487 0.9663 0.3235 -0.1085 0.0229 -0.1284 274 PRO A CG 1647 C CD . PRO A 251 ? 0.4819 0.8725 0.2639 -0.1007 0.0138 -0.1311 274 PRO A CD 1648 N N . PHE A 252 ? 0.4528 0.8490 0.2718 -0.0992 0.0047 -0.0634 275 PHE A N 1649 C CA . PHE A 252 ? 0.4042 0.7923 0.2281 -0.1034 -0.0055 -0.0376 275 PHE A CA 1650 C C . PHE A 252 ? 0.4029 0.7983 0.2102 -0.1191 -0.0119 -0.0205 275 PHE A C 1651 O O . PHE A 252 ? 0.4242 0.8058 0.2313 -0.1222 -0.0244 -0.0025 275 PHE A O 1652 C CB . PHE A 252 ? 0.3890 0.7847 0.2277 -0.0997 0.0005 -0.0316 275 PHE A CB 1653 C CG . PHE A 252 ? 0.3339 0.7213 0.1894 -0.0830 0.0050 -0.0456 275 PHE A CG 1654 C CD1 . PHE A 252 ? 0.3265 0.6936 0.1847 -0.0734 0.0004 -0.0555 275 PHE A CD1 1655 C CD2 . PHE A 252 ? 0.3528 0.7527 0.2217 -0.0772 0.0134 -0.0489 275 PHE A CD2 1656 C CE1 . PHE A 252 ? 0.3087 0.6656 0.1809 -0.0579 0.0039 -0.0677 275 PHE A CE1 1657 C CE2 . PHE A 252 ? 0.3317 0.7232 0.2160 -0.0605 0.0167 -0.0614 275 PHE A CE2 1658 C CZ . PHE A 252 ? 0.2956 0.6643 0.1806 -0.0505 0.0120 -0.0704 275 PHE A CZ 1659 N N . GLU A 253 ? 0.4284 0.8452 0.2222 -0.1284 -0.0035 -0.0264 276 GLU A N 1660 C CA . GLU A 253 ? 0.4581 0.8832 0.2327 -0.1438 -0.0087 -0.0114 276 GLU A CA 1661 C C . GLU A 253 ? 0.4734 0.8875 0.2361 -0.1462 -0.0203 -0.0100 276 GLU A C 1662 O O . GLU A 253 ? 0.4935 0.9012 0.2494 -0.1533 -0.0320 0.0103 276 GLU A O 1663 C CB . GLU A 253 ? 0.4855 0.9364 0.2468 -0.1526 0.0038 -0.0232 276 GLU A CB 1664 C CG . GLU A 253 ? 0.5131 0.9794 0.2884 -0.1491 0.0168 -0.0305 276 GLU A CG 1665 C CD . GLU A 253 ? 0.5918 1.0570 0.3834 -0.1328 0.0257 -0.0549 276 GLU A CD 1666 O OE1 . GLU A 253 ? 0.6991 1.1836 0.4944 -0.1314 0.0383 -0.0700 276 GLU A OE1 1667 O OE2 . GLU A 253 ? 0.6349 1.0797 0.4359 -0.1211 0.0201 -0.0590 276 GLU A OE2 1668 N N . ALA A 254 ? 0.4883 0.9001 0.2484 -0.1405 -0.0174 -0.0319 277 ALA A N 1669 C CA . ALA A 254 ? 0.5184 0.9201 0.2693 -0.1426 -0.0287 -0.0327 277 ALA A CA 1670 C C . ALA A 254 ? 0.4684 0.8492 0.2337 -0.1371 -0.0426 -0.0161 277 ALA A C 1671 O O . ALA A 254 ? 0.4818 0.8577 0.2407 -0.1420 -0.0553 -0.0046 277 ALA A O 1672 C CB . ALA A 254 ? 0.4962 0.8949 0.2461 -0.1363 -0.0228 -0.0604 277 ALA A CB 1673 N N . ARG A 255 ? 0.4353 0.8045 0.2210 -0.1265 -0.0405 -0.0149 278 ARG A N 1674 C CA . ARG A 255 ? 0.4381 0.7876 0.2393 -0.1208 -0.0529 0.0000 278 ARG A CA 1675 C C . ARG A 255 ? 0.4220 0.7702 0.2216 -0.1278 -0.0619 0.0264 278 ARG A C 1676 O O . ARG A 255 ? 0.4251 0.7624 0.2284 -0.1277 -0.0752 0.0384 278 ARG A O 1677 C CB . ARG A 255 ? 0.4388 0.7771 0.2605 -0.1084 -0.0481 -0.0044 278 ARG A CB 1678 C CG . ARG A 255 ? 0.3753 0.7131 0.1986 -0.1003 -0.0385 -0.0308 278 ARG A CG 1679 C CD . ARG A 255 ? 0.3449 0.6712 0.1869 -0.0876 -0.0352 -0.0343 278 ARG A CD 1680 N NE . ARG A 255 ? 0.3690 0.6972 0.2110 -0.0795 -0.0237 -0.0591 278 ARG A NE 1681 C CZ . ARG A 255 ? 0.3268 0.6434 0.1821 -0.0667 -0.0202 -0.0687 278 ARG A CZ 1682 N NH1 . ARG A 255 ? 0.3026 0.6059 0.1717 -0.0613 -0.0273 -0.0562 278 ARG A NH1 1683 N NH2 . ARG A 255 ? 0.3342 0.6508 0.1895 -0.0587 -0.0097 -0.0914 278 ARG A NH2 1684 N N . VAL A 256 ? 0.4281 0.7878 0.2230 -0.1342 -0.0551 0.0349 279 VAL A N 1685 C CA . VAL A 256 ? 0.4400 0.7968 0.2324 -0.1420 -0.0630 0.0597 279 VAL A CA 1686 C C . VAL A 256 ? 0.4759 0.8381 0.2481 -0.1518 -0.0720 0.0669 279 VAL A C 1687 O O . VAL A 256 ? 0.4839 0.8348 0.2583 -0.1527 -0.0854 0.0849 279 VAL A O 1688 C CB . VAL A 256 ? 0.4415 0.8113 0.2324 -0.1485 -0.0525 0.0646 279 VAL A CB 1689 C CG1 . VAL A 256 ? 0.4663 0.8359 0.2474 -0.1604 -0.0595 0.0882 279 VAL A CG1 1690 C CG2 . VAL A 256 ? 0.4057 0.7670 0.2192 -0.1382 -0.0477 0.0634 279 VAL A CG2 1691 N N . MET A 257 ? 0.5000 0.8800 0.2527 -0.1589 -0.0651 0.0523 280 MET A N 1692 C CA . MET A 257 ? 0.5379 0.9254 0.2686 -0.1692 -0.0734 0.0588 280 MET A CA 1693 C C . MET A 257 ? 0.5373 0.9117 0.2730 -0.1638 -0.0883 0.0606 280 MET A C 1694 O O . MET A 257 ? 0.5577 0.9286 0.2871 -0.1679 -0.1015 0.0778 280 MET A O 1695 C CB . MET A 257 ? 0.6642 1.0726 0.3739 -0.1768 -0.0624 0.0394 280 MET A CB 1696 C CG . MET A 257 ? 0.8489 1.2690 0.5317 -0.1905 -0.0688 0.0491 280 MET A CG 1697 S SD . MET A 257 ? 0.9626 1.3927 0.6325 -0.2042 -0.0656 0.0711 280 MET A SD 1698 C CE . MET A 257 ? 0.7835 1.2172 0.4746 -0.1985 -0.0490 0.0626 280 MET A CE 1699 N N . GLU A 258 ? 0.5137 0.8801 0.2632 -0.1539 -0.0870 0.0438 281 GLU A N 1700 C CA . GLU A 258 ? 0.5164 0.8721 0.2735 -0.1493 -0.1009 0.0442 281 GLU A CA 1701 C C . GLU A 258 ? 0.4953 0.8344 0.2725 -0.1427 -0.1123 0.0653 281 GLU A C 1702 O O . GLU A 258 ? 0.5366 0.8717 0.3157 -0.1424 -0.1265 0.0747 281 GLU A O 1703 C CB . GLU A 258 ? 0.5261 0.8764 0.2932 -0.1419 -0.0964 0.0209 281 GLU A CB 1704 C CG . GLU A 258 ? 0.6016 0.9423 0.3796 -0.1382 -0.1107 0.0207 281 GLU A CG 1705 C CD . GLU A 258 ? 0.6786 1.0312 0.4371 -0.1474 -0.1199 0.0181 281 GLU A CD 1706 O OE1 . GLU A 258 ? 0.8260 1.1744 0.5934 -0.1455 -0.1321 0.0172 281 GLU A OE1 1707 O OE2 . GLU A 258 ? 0.6724 1.0395 0.4071 -0.1568 -0.1151 0.0166 281 GLU A OE2 1708 N N . VAL A 259 ? 0.4799 0.8096 0.2730 -0.1370 -0.1065 0.0721 282 VAL A N 1709 C CA . VAL A 259 ? 0.4569 0.7703 0.2687 -0.1312 -0.1165 0.0918 282 VAL A CA 1710 C C . VAL A 259 ? 0.4889 0.8049 0.2875 -0.1398 -0.1254 0.1127 282 VAL A C 1711 O O . VAL A 259 ? 0.4950 0.8005 0.3031 -0.1360 -0.1389 0.1268 282 VAL A O 1712 C CB . VAL A 259 ? 0.4256 0.7292 0.2550 -0.1246 -0.1079 0.0941 282 VAL A CB 1713 C CG1 . VAL A 259 ? 0.4228 0.7112 0.2664 -0.1220 -0.1164 0.1159 282 VAL A CG1 1714 C CG2 . VAL A 259 ? 0.3942 0.6890 0.2412 -0.1135 -0.1041 0.0779 282 VAL A CG2 1715 N N . LEU A 260 ? 0.5119 0.8422 0.2890 -0.1513 -0.1180 0.1147 283 LEU A N 1716 C CA . LEU A 260 ? 0.5679 0.9009 0.3288 -0.1610 -0.1264 0.1345 283 LEU A CA 1717 C C . LEU A 260 ? 0.5768 0.9149 0.3247 -0.1632 -0.1397 0.1351 283 LEU A C 1718 O O . LEU A 260 ? 0.5996 0.9318 0.3448 -0.1646 -0.1532 0.1537 283 LEU A O 1719 C CB . LEU A 260 ? 0.5681 0.9176 0.3080 -0.1740 -0.1143 0.1344 283 LEU A CB 1720 C CG . LEU A 260 ? 0.5563 0.9006 0.3102 -0.1731 -0.1047 0.1395 283 LEU A CG 1721 C CD1 . LEU A 260 ? 0.5551 0.9202 0.2943 -0.1835 -0.0888 0.1307 283 LEU A CD1 1722 C CD2 . LEU A 260 ? 0.5536 0.8806 0.3154 -0.1741 -0.1151 0.1650 283 LEU A CD2 1723 N N . LYS A 261 ? 0.5777 0.9264 0.3182 -0.1633 -0.1367 0.1145 284 LYS A N 1724 C CA . LYS A 261 ? 0.6059 0.9611 0.3343 -0.1661 -0.1498 0.1133 284 LYS A CA 1725 C C . LYS A 261 ? 0.6212 0.9628 0.3730 -0.1552 -0.1650 0.1206 284 LYS A C 1726 O O . LYS A 261 ? 0.6196 0.9635 0.3655 -0.1565 -0.1802 0.1310 284 LYS A O 1727 C CB . LYS A 261 ? 0.6098 0.9777 0.3269 -0.1689 -0.1427 0.0877 284 LYS A CB 1728 C CG . LYS A 261 ? 0.6852 1.0705 0.3764 -0.1803 -0.1299 0.0788 284 LYS A CG 1729 C CD . LYS A 261 ? 0.7336 1.1301 0.4119 -0.1833 -0.1269 0.0544 284 LYS A CD 1730 C CE . LYS A 261 ? 0.6564 1.0449 0.3484 -0.1766 -0.1405 0.0491 284 LYS A CE 1731 N NZ . LYS A 261 ? 0.6981 1.0989 0.3722 -0.1833 -0.1425 0.0304 284 LYS A NZ 1732 N N . TRP A 262 ? 0.5532 0.8819 0.3319 -0.1441 -0.1613 0.1144 285 TRP A N 1733 C CA . TRP A 262 ? 0.5597 0.8771 0.3631 -0.1336 -0.1744 0.1200 285 TRP A CA 1734 C C . TRP A 262 ? 0.5780 0.8861 0.3864 -0.1318 -0.1854 0.1448 285 TRP A C 1735 O O . TRP A 262 ? 0.5682 0.8746 0.3853 -0.1270 -0.2007 0.1528 285 TRP A O 1736 C CB . TRP A 262 ? 0.4971 0.8023 0.3269 -0.1231 -0.1666 0.1094 285 TRP A CB 1737 C CG . TRP A 262 ? 0.4867 0.7983 0.3139 -0.1238 -0.1594 0.0855 285 TRP A CG 1738 C CD1 . TRP A 262 ? 0.5099 0.8349 0.3202 -0.1308 -0.1623 0.0728 285 TRP A CD1 1739 C CD2 . TRP A 262 ? 0.5231 0.8273 0.3645 -0.1176 -0.1482 0.0710 285 TRP A CD2 1740 N NE1 . TRP A 262 ? 0.4939 0.8188 0.3077 -0.1295 -0.1536 0.0510 285 TRP A NE1 1741 C CE2 . TRP A 262 ? 0.5123 0.8244 0.3449 -0.1212 -0.1450 0.0498 285 TRP A CE2 1742 C CE3 . TRP A 262 ? 0.4218 0.7127 0.2819 -0.1094 -0.1410 0.0737 285 TRP A CE3 1743 C CZ2 . TRP A 262 ? 0.4521 0.7584 0.2937 -0.1169 -0.1351 0.0319 285 TRP A CZ2 1744 C CZ3 . TRP A 262 ? 0.4819 0.7686 0.3506 -0.1047 -0.1315 0.0564 285 TRP A CZ3 1745 C CH2 . TRP A 262 ? 0.4394 0.7332 0.2988 -0.1084 -0.1287 0.0360 285 TRP A CH2 1746 N N . LEU A 263 ? 0.5557 0.8580 0.3594 -0.1356 -0.1781 0.1566 286 LEU A N 1747 C CA . LEU A 263 ? 0.5781 0.8710 0.3816 -0.1365 -0.1880 0.1805 286 LEU A CA 1748 C C . LEU A 263 ? 0.6259 0.9302 0.4028 -0.1459 -0.1991 0.1908 286 LEU A C 1749 O O . LEU A 263 ? 0.6490 0.9451 0.4278 -0.1440 -0.2123 0.2100 286 LEU A O 1750 C CB . LEU A 263 ? 0.5714 0.8572 0.3732 -0.1413 -0.1768 0.1892 286 LEU A CB 1751 C CG . LEU A 263 ? 0.5276 0.8001 0.3566 -0.1311 -0.1684 0.1824 286 LEU A CG 1752 C CD1 . LEU A 263 ? 0.5195 0.7934 0.3423 -0.1382 -0.1541 0.1831 286 LEU A CD1 1753 C CD2 . LEU A 263 ? 0.5305 0.7840 0.3833 -0.1209 -0.1799 0.1966 286 LEU A CD2 1754 N N . ASP A 264 ? 0.6438 0.9664 0.3953 -0.1559 -0.1939 0.1784 287 ASP A N 1755 C CA . ASP A 264 ? 0.6917 1.0271 0.4151 -0.1656 -0.2041 0.1860 287 ASP A CA 1756 C C . ASP A 264 ? 0.7024 1.0438 0.4302 -0.1602 -0.2197 0.1804 287 ASP A C 1757 O O . ASP A 264 ? 0.7439 1.0967 0.4489 -0.1673 -0.2304 0.1864 287 ASP A O 1758 C CB . ASP A 264 ? 0.7090 1.0629 0.4030 -0.1791 -0.1908 0.1733 287 ASP A CB 1759 C CG . ASP A 264 ? 0.7133 1.0667 0.3972 -0.1877 -0.1783 0.1822 287 ASP A CG 1760 O OD1 . ASP A 264 ? 0.7170 1.0560 0.4090 -0.1864 -0.1835 0.2028 287 ASP A OD1 1761 O OD2 . ASP A 264 ? 0.7142 1.0820 0.3832 -0.1958 -0.1633 0.1678 287 ASP A OD2 1762 N N . LEU A 265 ? 0.6679 1.0034 0.4239 -0.1487 -0.2211 0.1689 288 LEU A N 1763 C CA . LEU A 265 ? 0.6760 1.0195 0.4391 -0.1443 -0.2352 0.1614 288 LEU A CA 1764 C C . LEU A 265 ? 0.7018 1.0413 0.4714 -0.1387 -0.2548 0.1822 288 LEU A C 1765 O O . LEU A 265 ? 0.7012 1.0259 0.4802 -0.1342 -0.2567 0.2005 288 LEU A O 1766 C CB . LEU A 265 ? 0.6335 0.9714 0.4274 -0.1338 -0.2317 0.1449 288 LEU A CB 1767 C CG . LEU A 265 ? 0.6139 0.9574 0.4021 -0.1382 -0.2164 0.1206 288 LEU A CG 1768 C CD1 . LEU A 265 ? 0.5726 0.9073 0.3921 -0.1279 -0.2127 0.1070 288 LEU A CD1 1769 C CD2 . LEU A 265 ? 0.6467 1.0085 0.4097 -0.1484 -0.2206 0.1080 288 LEU A CD2 1770 N N . PRO A 266 ? 0.7280 1.0812 0.4920 -0.1392 -0.2702 0.1794 289 PRO A N 1771 C CA . PRO A 266 ? 0.7470 1.0981 0.5255 -0.1300 -0.2905 0.1953 289 PRO A CA 1772 C C . PRO A 266 ? 0.7097 1.0450 0.5279 -0.1149 -0.2903 0.1979 289 PRO A C 1773 O O . PRO A 266 ? 0.6694 1.0018 0.5086 -0.1100 -0.2801 0.1815 289 PRO A O 1774 C CB . PRO A 266 ? 0.7636 1.1341 0.5403 -0.1310 -0.3035 0.1818 289 PRO A CB 1775 C CG . PRO A 266 ? 0.7579 1.1386 0.5143 -0.1426 -0.2891 0.1596 289 PRO A CG 1776 C CD . PRO A 266 ? 0.7492 1.1213 0.4896 -0.1494 -0.2705 0.1629 289 PRO A CD 1777 N N . LYS A 267 ? 0.7261 1.0508 0.5543 -0.1073 -0.3018 0.2187 290 LYS A N 1778 C CA . LYS A 267 ? 0.7320 1.0414 0.5973 -0.0927 -0.3019 0.2222 290 LYS A CA 1779 C C . LYS A 267 ? 0.6854 1.0040 0.5809 -0.0834 -0.3045 0.2036 290 LYS A C 1780 O O . LYS A 267 ? 0.6298 0.9378 0.5534 -0.0745 -0.2959 0.1972 290 LYS A O 1781 C CB . LYS A 267 ? 0.7444 1.0446 0.6143 -0.0857 -0.3181 0.2462 290 LYS A CB 1782 C CG . LYS A 267 ? 0.7286 1.0187 0.6388 -0.0686 -0.3234 0.2482 290 LYS A CG 1783 C CD . LYS A 267 ? 0.8190 1.0924 0.7306 -0.0632 -0.3338 0.2730 290 LYS A CD 1784 C CE . LYS A 267 ? 0.8422 1.1110 0.7926 -0.0452 -0.3438 0.2750 290 LYS A CE 1785 N NZ . LYS A 267 ? 0.8879 1.1807 0.8496 -0.0388 -0.3597 0.2670 290 LYS A NZ 1786 N N . ALA A 268 ? 0.6856 1.0244 0.5758 -0.0860 -0.3160 0.1943 291 ALA A N 1787 C CA . ALA A 268 ? 0.6617 1.0112 0.5821 -0.0785 -0.3195 0.1767 291 ALA A CA 1788 C C . ALA A 268 ? 0.6222 0.9695 0.5475 -0.0826 -0.3013 0.1553 291 ALA A C 1789 O O . ALA A 268 ? 0.5926 0.9416 0.5482 -0.0754 -0.2991 0.1425 291 ALA A O 1790 C CB . ALA A 268 ? 0.6938 1.0666 0.6067 -0.0820 -0.3370 0.1712 291 ALA A CB 1791 N N . LYS A 269 ? 0.6239 0.9691 0.5200 -0.0943 -0.2885 0.1506 292 LYS A N 1792 C CA . LYS A 269 ? 0.5908 0.9334 0.4893 -0.0980 -0.2717 0.1307 292 LYS A CA 1793 C C . LYS A 269 ? 0.5672 0.8923 0.4624 -0.0977 -0.2546 0.1354 292 LYS A C 1794 O O . LYS A 269 ? 0.5410 0.8622 0.4386 -0.0993 -0.2403 0.1204 292 LYS A O 1795 C CB . LYS A 269 ? 0.6118 0.9687 0.4820 -0.1112 -0.2694 0.1155 292 LYS A CB 1796 C CG . LYS A 269 ? 0.6393 1.0155 0.5081 -0.1141 -0.2870 0.1095 292 LYS A CG 1797 C CD . LYS A 269 ? 0.6840 1.0675 0.5333 -0.1159 -0.3029 0.1292 292 LYS A CD 1798 C CE . LYS A 269 ? 0.7176 1.1223 0.5603 -0.1203 -0.3207 0.1224 292 LYS A CE 1799 N NZ . LYS A 269 ? 0.7474 1.1575 0.5960 -0.1127 -0.3414 0.1420 292 LYS A NZ 1800 N N . ARG A 270 ? 0.5791 0.8935 0.4693 -0.0960 -0.2562 0.1555 293 ARG A N 1801 C CA . ARG A 270 ? 0.5615 0.8619 0.4460 -0.0982 -0.2406 0.1599 293 ARG A CA 1802 C C . ARG A 270 ? 0.5192 0.8058 0.4354 -0.0873 -0.2323 0.1538 293 ARG A C 1803 O O . ARG A 270 ? 0.5126 0.7939 0.4555 -0.0764 -0.2406 0.1590 293 ARG A O 1804 C CB . ARG A 270 ? 0.5875 0.8792 0.4603 -0.1004 -0.2452 0.1830 293 ARG A CB 1805 C CG . ARG A 270 ? 0.5856 0.8657 0.4515 -0.1048 -0.2294 0.1868 293 ARG A CG 1806 C CD . ARG A 270 ? 0.6212 0.8931 0.4738 -0.1096 -0.2343 0.2098 293 ARG A CD 1807 N NE . ARG A 270 ? 0.6075 0.8654 0.4835 -0.0983 -0.2462 0.2242 293 ARG A NE 1808 C CZ . ARG A 270 ? 0.6688 0.9267 0.5384 -0.0975 -0.2626 0.2411 293 ARG A CZ 1809 N NH1 . ARG A 270 ? 0.6854 0.9566 0.5241 -0.1082 -0.2692 0.2469 293 ARG A NH1 1810 N NH2 . ARG A 270 ? 0.6487 0.8931 0.5426 -0.0856 -0.2724 0.2524 293 ARG A NH2 1811 N N . PRO A 271 ? 0.4917 0.7733 0.4062 -0.0893 -0.2161 0.1421 294 PRO A N 1812 C CA . PRO A 271 ? 0.4541 0.7214 0.3959 -0.0795 -0.2078 0.1378 294 PRO A CA 1813 C C . PRO A 271 ? 0.4532 0.7042 0.4057 -0.0740 -0.2083 0.1557 294 PRO A C 1814 O O . PRO A 271 ? 0.4734 0.7209 0.4078 -0.0805 -0.2075 0.1690 294 PRO A O 1815 C CB . PRO A 271 ? 0.4330 0.6995 0.3639 -0.0844 -0.1911 0.1239 294 PRO A CB 1816 C CG . PRO A 271 ? 0.5056 0.7858 0.4027 -0.0971 -0.1899 0.1225 294 PRO A CG 1817 C CD . PRO A 271 ? 0.4942 0.7854 0.3843 -0.0997 -0.2058 0.1284 294 PRO A CD 1818 N N . ASP A 272 ? 0.4326 0.6734 0.4151 -0.0625 -0.2093 0.1554 295 ASP A N 1819 C CA . ASP A 272 ? 0.4283 0.6509 0.4230 -0.0570 -0.2074 0.1688 295 ASP A CA 1820 C C . ASP A 272 ? 0.3973 0.6085 0.3963 -0.0564 -0.1916 0.1620 295 ASP A C 1821 O O . ASP A 272 ? 0.3959 0.5928 0.3987 -0.0554 -0.1881 0.1723 295 ASP A O 1822 C CB . ASP A 272 ? 0.4262 0.6442 0.4511 -0.0445 -0.2165 0.1718 295 ASP A CB 1823 C CG . ASP A 272 ? 0.4563 0.6890 0.4798 -0.0436 -0.2335 0.1767 295 ASP A CG 1824 O OD1 . ASP A 272 ? 0.5841 0.8178 0.5882 -0.0490 -0.2423 0.1914 295 ASP A OD1 1825 O OD2 . ASP A 272 ? 0.4473 0.6915 0.4891 -0.0380 -0.2380 0.1654 295 ASP A OD2 1826 N N . PHE A 273 ? 0.3744 0.5914 0.3737 -0.0568 -0.1827 0.1448 296 PHE A N 1827 C CA . PHE A 273 ? 0.3466 0.5547 0.3490 -0.0557 -0.1686 0.1373 296 PHE A CA 1828 C C . PHE A 273 ? 0.3435 0.5636 0.3255 -0.0634 -0.1610 0.1239 296 PHE A C 1829 O O . PHE A 273 ? 0.3616 0.5935 0.3396 -0.0657 -0.1651 0.1136 296 PHE A O 1830 C CB . PHE A 273 ? 0.3192 0.5186 0.3503 -0.0448 -0.1652 0.1288 296 PHE A CB 1831 C CG . PHE A 273 ? 0.2918 0.4846 0.3242 -0.0436 -0.1514 0.1184 296 PHE A CG 1832 C CD1 . PHE A 273 ? 0.2829 0.4625 0.3176 -0.0421 -0.1446 0.1248 296 PHE A CD1 1833 C CD2 . PHE A 273 ? 0.2778 0.4778 0.3091 -0.0445 -0.1464 0.1022 296 PHE A CD2 1834 C CE1 . PHE A 273 ? 0.3266 0.5014 0.3622 -0.0403 -0.1330 0.1154 296 PHE A CE1 1835 C CE2 . PHE A 273 ? 0.2722 0.4660 0.3043 -0.0427 -0.1350 0.0934 296 PHE A CE2 1836 C CZ . PHE A 273 ? 0.2649 0.4468 0.2987 -0.0401 -0.1284 0.1000 296 PHE A CZ 1837 N N . SER A 274 ? 0.3371 0.5553 0.3063 -0.0678 -0.1504 0.1236 297 SER A N 1838 C CA . SER A 274 ? 0.3627 0.5923 0.3145 -0.0737 -0.1419 0.1091 297 SER A CA 1839 C C . SER A 274 ? 0.3114 0.5351 0.2650 -0.0715 -0.1291 0.1042 297 SER A C 1840 O O . SER A 274 ? 0.3064 0.5208 0.2660 -0.0701 -0.1267 0.1148 297 SER A O 1841 C CB . SER A 274 ? 0.4161 0.6605 0.3396 -0.0853 -0.1436 0.1123 297 SER A CB 1842 O OG . SER A 274 ? 0.4818 0.7234 0.3975 -0.0901 -0.1434 0.1287 297 SER A OG 1843 N N . THR A 275 ? 0.2996 0.5288 0.2488 -0.0713 -0.1218 0.0874 298 THR A N 1844 C CA . THR A 275 ? 0.3496 0.5763 0.2995 -0.0685 -0.1103 0.0802 298 THR A CA 1845 C C . THR A 275 ? 0.3323 0.5750 0.2584 -0.0763 -0.1024 0.0716 298 THR A C 1846 O O . THR A 275 ? 0.3499 0.6039 0.2607 -0.0825 -0.1043 0.0642 298 THR A O 1847 C CB . THR A 275 ? 0.3282 0.5477 0.2936 -0.0606 -0.1074 0.0667 298 THR A CB 1848 O OG1 . THR A 275 ? 0.2826 0.5119 0.2370 -0.0646 -0.1068 0.0509 298 THR A OG1 1849 C CG2 . THR A 275 ? 0.2476 0.4552 0.2369 -0.0536 -0.1144 0.0722 298 THR A CG2 1850 N N . LEU A 276 ? 0.3442 0.5888 0.2685 -0.0757 -0.0931 0.0713 299 LEU A N 1851 C CA . LEU A 276 ? 0.3140 0.5755 0.2200 -0.0813 -0.0830 0.0609 299 LEU A CA 1852 C C . LEU A 276 ? 0.2743 0.5337 0.1894 -0.0730 -0.0741 0.0502 299 LEU A C 1853 O O . LEU A 276 ? 0.2534 0.5016 0.1838 -0.0674 -0.0744 0.0584 299 LEU A O 1854 C CB . LEU A 276 ? 0.3088 0.5802 0.2028 -0.0910 -0.0813 0.0744 299 LEU A CB 1855 C CG . LEU A 276 ? 0.4537 0.7463 0.3244 -0.1015 -0.0751 0.0678 299 LEU A CG 1856 C CD1 . LEU A 276 ? 0.4746 0.7762 0.3395 -0.1101 -0.0705 0.0804 299 LEU A CD1 1857 C CD2 . LEU A 276 ? 0.4646 0.7669 0.3306 -0.0976 -0.0645 0.0451 299 LEU A CD2 1858 N N . TYR A 277 ? 0.3175 0.5868 0.2233 -0.0716 -0.0664 0.0312 300 TYR A N 1859 C CA . TYR A 277 ? 0.2502 0.5172 0.1645 -0.0619 -0.0591 0.0194 300 TYR A CA 1860 C C . TYR A 277 ? 0.2599 0.5451 0.1603 -0.0627 -0.0474 0.0030 300 TYR A C 1861 O O . TYR A 277 ? 0.2788 0.5719 0.1652 -0.0673 -0.0449 -0.0091 300 TYR A O 1862 C CB . TYR A 277 ? 0.2685 0.5218 0.1928 -0.0546 -0.0629 0.0089 300 TYR A CB 1863 C CG . TYR A 277 ? 0.2797 0.5257 0.2109 -0.0432 -0.0532 -0.0064 300 TYR A CG 1864 C CD1 . TYR A 277 ? 0.2070 0.4381 0.1562 -0.0337 -0.0510 0.0000 300 TYR A CD1 1865 C CD2 . TYR A 277 ? 0.2931 0.5416 0.2144 -0.0406 -0.0447 -0.0274 300 TYR A CD2 1866 C CE1 . TYR A 277 ? 0.1996 0.4191 0.1559 -0.0218 -0.0418 -0.0125 300 TYR A CE1 1867 C CE2 . TYR A 277 ? 0.2531 0.4882 0.1835 -0.0276 -0.0352 -0.0400 300 TYR A CE2 1868 C CZ . TYR A 277 ? 0.2815 0.5026 0.2287 -0.0183 -0.0344 -0.0317 300 TYR A CZ 1869 O OH . TYR A 277 ? 0.2960 0.5040 0.2506 -0.0051 -0.0266 -0.0431 300 TYR A OH 1870 N N . ILE A 278 ? 0.2738 0.5661 0.1796 -0.0576 -0.0399 0.0014 301 ILE A N 1871 C CA . ILE A 278 ? 0.2614 0.5710 0.1596 -0.0547 -0.0275 -0.0168 301 ILE A CA 1872 C C . ILE A 278 ? 0.2354 0.5323 0.1520 -0.0390 -0.0218 -0.0257 301 ILE A C 1873 O O . ILE A 278 ? 0.2512 0.5335 0.1838 -0.0340 -0.0259 -0.0140 301 ILE A O 1874 C CB . ILE A 278 ? 0.2664 0.5985 0.1577 -0.0646 -0.0204 -0.0103 301 ILE A CB 1875 C CG1 . ILE A 278 ? 0.2516 0.5846 0.1546 -0.0653 -0.0217 0.0061 301 ILE A CG1 1876 C CG2 . ILE A 278 ? 0.2901 0.6271 0.1666 -0.0788 -0.0248 -0.0006 301 ILE A CG2 1877 C CD1 . ILE A 278 ? 0.2642 0.6201 0.1611 -0.0772 -0.0144 0.0121 301 ILE A CD1 1878 N N . GLU A 279 ? 0.2566 0.5565 0.1722 -0.0305 -0.0123 -0.0468 302 GLU A N 1879 C CA . GLU A 279 ? 0.2449 0.5291 0.1775 -0.0137 -0.0073 -0.0567 302 GLU A CA 1880 C C . GLU A 279 ? 0.2605 0.5606 0.2042 -0.0087 -0.0009 -0.0553 302 GLU A C 1881 O O . GLU A 279 ? 0.2665 0.5544 0.2252 0.0054 0.0010 -0.0601 302 GLU A O 1882 C CB . GLU A 279 ? 0.2460 0.5247 0.1737 -0.0057 -0.0005 -0.0803 302 GLU A CB 1883 C CG . GLU A 279 ? 0.2568 0.5169 0.1763 -0.0095 -0.0060 -0.0859 302 GLU A CG 1884 C CD . GLU A 279 ? 0.3024 0.5817 0.2012 -0.0258 -0.0092 -0.0858 302 GLU A CD 1885 O OE1 . GLU A 279 ? 0.3486 0.6167 0.2420 -0.0319 -0.0167 -0.0857 302 GLU A OE1 1886 O OE2 . GLU A 279 ? 0.3118 0.6187 0.1992 -0.0333 -0.0043 -0.0857 302 GLU A OE2 1887 N N . GLU A 280 ? 0.2271 0.5549 0.1630 -0.0205 0.0025 -0.0494 303 GLU A N 1888 C CA . GLU A 280 ? 0.2288 0.5752 0.1769 -0.0185 0.0085 -0.0475 303 GLU A CA 1889 C C . GLU A 280 ? 0.2051 0.5442 0.1605 -0.0258 0.0006 -0.0248 303 GLU A C 1890 O O . GLU A 280 ? 0.2095 0.5419 0.1551 -0.0370 -0.0071 -0.0102 303 GLU A O 1891 C CB . GLU A 280 ? 0.2478 0.6304 0.1845 -0.0282 0.0190 -0.0554 303 GLU A CB 1892 C CG . GLU A 280 ? 0.2770 0.6683 0.2132 -0.0180 0.0287 -0.0808 303 GLU A CG 1893 C CD . GLU A 280 ? 0.3363 0.7215 0.2943 0.0030 0.0326 -0.0940 303 GLU A CD 1894 O OE1 . GLU A 280 ? 0.4230 0.8133 0.3861 0.0114 0.0392 -0.1121 303 GLU A OE1 1895 O OE2 . GLU A 280 ? 0.3526 0.7194 0.3257 0.0111 0.0261 -0.0843 303 GLU A OE2 1896 N N . PRO A 281 ? 0.2285 0.5695 0.2014 -0.0194 0.0022 -0.0228 304 PRO A N 1897 C CA . PRO A 281 ? 0.1876 0.5437 0.1739 -0.0072 0.0104 -0.0381 304 PRO A CA 1898 C C . PRO A 281 ? 0.2127 0.5450 0.2100 0.0130 0.0087 -0.0493 304 PRO A C 1899 O O . PRO A 281 ? 0.1848 0.5265 0.1960 0.0253 0.0126 -0.0592 304 PRO A O 1900 C CB . PRO A 281 ? 0.1772 0.5457 0.1767 -0.0126 0.0100 -0.0271 304 PRO A CB 1901 C CG . PRO A 281 ? 0.1702 0.5131 0.1676 -0.0200 -0.0007 -0.0073 304 PRO A CG 1902 C CD . PRO A 281 ? 0.1818 0.5154 0.1610 -0.0270 -0.0044 -0.0037 304 PRO A CD 1903 N N . ASP A 282 ? 0.2185 0.5209 0.2100 0.0160 0.0024 -0.0468 305 ASP A N 1904 C CA . ASP A 282 ? 0.1758 0.4516 0.1753 0.0325 0.0004 -0.0537 305 ASP A CA 1905 C C . ASP A 282 ? 0.2076 0.4886 0.2083 0.0454 0.0076 -0.0741 305 ASP A C 1906 O O . ASP A 282 ? 0.2150 0.4909 0.2278 0.0606 0.0083 -0.0802 305 ASP A O 1907 C CB . ASP A 282 ? 0.2023 0.4483 0.1950 0.0302 -0.0062 -0.0478 305 ASP A CB 1908 C CG . ASP A 282 ? 0.2506 0.4664 0.2489 0.0454 -0.0074 -0.0538 305 ASP A CG 1909 O OD1 . ASP A 282 ? 0.1949 0.3955 0.2014 0.0508 -0.0114 -0.0453 305 ASP A OD1 1910 O OD2 . ASP A 282 ? 0.2378 0.4450 0.2310 0.0518 -0.0038 -0.0677 305 ASP A OD2 1911 N N . THR A 283 ? 0.2090 0.5000 0.1969 0.0398 0.0128 -0.0853 306 THR A N 1912 C CA . THR A 283 ? 0.2251 0.5180 0.2142 0.0526 0.0201 -0.1067 306 THR A CA 1913 C C . THR A 283 ? 0.2233 0.5429 0.2281 0.0626 0.0265 -0.1152 306 THR A C 1914 O O . THR A 283 ? 0.2263 0.5358 0.2435 0.0809 0.0269 -0.1247 306 THR A O 1915 C CB . THR A 283 ? 0.2447 0.5486 0.2161 0.0424 0.0251 -0.1182 306 THR A CB 1916 O OG1 . THR A 283 ? 0.2459 0.5261 0.2056 0.0335 0.0176 -0.1102 306 THR A OG1 1917 C CG2 . THR A 283 ? 0.2647 0.5668 0.2382 0.0566 0.0333 -0.1430 306 THR A CG2 1918 N N . THR A 284 ? 0.2941 0.6487 0.2992 0.0508 0.0312 -0.1115 307 THR A N 1919 C CA . THR A 284 ? 0.2177 0.5948 0.2403 0.0573 0.0351 -0.1176 307 THR A CA 1920 C C . THR A 284 ? 0.2209 0.5906 0.2605 0.0675 0.0285 -0.1086 307 THR A C 1921 O O . THR A 284 ? 0.2049 0.5724 0.2585 0.0805 0.0270 -0.1152 307 THR A O 1922 C CB . THR A 284 ? 0.2229 0.6335 0.2407 0.0386 0.0406 -0.1134 307 THR A CB 1923 O OG1 . THR A 284 ? 0.2439 0.6588 0.2454 0.0303 0.0457 -0.1224 307 THR A OG1 1924 C CG2 . THR A 284 ? 0.2265 0.6591 0.2623 0.0428 0.0437 -0.1190 307 THR A CG2 1925 N N . GLY A 285 ? 0.1839 0.5396 0.2206 0.0604 0.0215 -0.0916 308 GLY A N 1926 C CA . GLY A 285 ? 0.1697 0.5152 0.2204 0.0687 0.0143 -0.0831 308 GLY A CA 1927 C C . GLY A 285 ? 0.2375 0.5576 0.2941 0.0899 0.0107 -0.0911 308 GLY A C 1928 O O . GLY A 285 ? 0.1980 0.5140 0.2649 0.0989 0.0062 -0.0903 308 GLY A O 1929 N N . HIS A 286 ? 0.1855 0.4765 0.2299 0.0937 0.0103 -0.0954 309 HIS A N 1930 C CA . HIS A 286 ? 0.2573 0.5208 0.3049 0.1130 0.0078 -0.1031 309 HIS A CA 1931 C C . HIS A 286 ? 0.2866 0.5575 0.3429 0.1222 0.0101 -0.1147 309 HIS A C 1932 O O . HIS A 286 ? 0.3445 0.5996 0.4081 0.1347 0.0048 -0.1136 309 HIS A O 1933 C CB . HIS A 286 ? 0.2393 0.4716 0.2715 0.1109 0.0082 -0.1068 309 HIS A CB 1934 C CG . HIS A 286 ? 0.2333 0.4375 0.2569 0.1022 0.0016 -0.0911 309 HIS A CG 1935 N ND1 . HIS A 286 ? 0.2364 0.4148 0.2627 0.1108 -0.0045 -0.0826 309 HIS A ND1 1936 C CD2 . HIS A 286 ? 0.2173 0.4166 0.2303 0.0860 0.0001 -0.0830 309 HIS A CD2 1937 C CE1 . HIS A 286 ? 0.2411 0.4010 0.2598 0.1000 -0.0081 -0.0710 309 HIS A CE1 1938 N NE2 . HIS A 286 ? 0.2932 0.4653 0.3053 0.0857 -0.0059 -0.0710 309 HIS A NE2 1939 N N . LYS A 287 ? 0.2243 0.5191 0.2793 0.1157 0.0180 -0.1257 310 LYS A N 1940 C CA . LYS A 287 ? 0.2451 0.5454 0.3093 0.1256 0.0214 -0.1389 310 LYS A CA 1941 C C . LYS A 287 ? 0.2714 0.5960 0.3517 0.1280 0.0196 -0.1365 310 LYS A C 1942 O O . LYS A 287 ? 0.2543 0.5724 0.3458 0.1420 0.0171 -0.1416 310 LYS A O 1943 C CB . LYS A 287 ? 0.2595 0.5773 0.3159 0.1165 0.0309 -0.1518 310 LYS A CB 1944 C CG . LYS A 287 ? 0.2911 0.6157 0.3579 0.1269 0.0358 -0.1673 310 LYS A CG 1945 C CD . LYS A 287 ? 0.3338 0.6525 0.3889 0.1234 0.0432 -0.1815 310 LYS A CD 1946 C CE . LYS A 287 ? 0.4538 0.7805 0.5213 0.1346 0.0489 -0.1974 310 LYS A CE 1947 N NZ . LYS A 287 ? 0.5554 0.8452 0.6205 0.1474 0.0488 -0.2068 310 LYS A NZ 1948 N N . PHE A 288 ? 0.2245 0.5764 0.3062 0.1138 0.0208 -0.1286 311 PHE A N 1949 C CA . PHE A 288 ? 0.2229 0.6007 0.3192 0.1128 0.0205 -0.1280 311 PHE A CA 1950 C C . PHE A 288 ? 0.2044 0.5799 0.3040 0.1083 0.0130 -0.1131 311 PHE A C 1951 O O . PHE A 288 ? 0.2157 0.6092 0.3275 0.1078 0.0117 -0.1127 311 PHE A O 1952 C CB . PHE A 288 ? 0.2279 0.6426 0.3239 0.0978 0.0301 -0.1337 311 PHE A CB 1953 C CG . PHE A 288 ? 0.2505 0.6704 0.3448 0.1021 0.0380 -0.1504 311 PHE A CG 1954 C CD1 . PHE A 288 ? 0.2681 0.6941 0.3777 0.1161 0.0396 -0.1627 311 PHE A CD1 1955 C CD2 . PHE A 288 ? 0.2564 0.6747 0.3338 0.0922 0.0436 -0.1538 311 PHE A CD2 1956 C CE1 . PHE A 288 ? 0.2913 0.7207 0.4002 0.1204 0.0474 -0.1787 311 PHE A CE1 1957 C CE2 . PHE A 288 ? 0.2802 0.7016 0.3552 0.0955 0.0510 -0.1700 311 PHE A CE2 1958 C CZ . PHE A 288 ? 0.2974 0.7240 0.3886 0.1098 0.0532 -0.1826 311 PHE A CZ 1959 N N . GLY A 289 ? 0.2362 0.5899 0.3262 0.1050 0.0083 -0.1017 312 GLY A N 1960 C CA . GLY A 289 ? 0.2567 0.6056 0.3495 0.1002 0.0015 -0.0884 312 GLY A CA 1961 C C . GLY A 289 ? 0.2349 0.6071 0.3268 0.0804 0.0049 -0.0799 312 GLY A C 1962 O O . GLY A 289 ? 0.1859 0.5840 0.2762 0.0698 0.0127 -0.0843 312 GLY A O 1963 N N . PRO A 290 ? 0.1512 0.5122 0.2429 0.0738 -0.0011 -0.0667 313 PRO A N 1964 C CA . PRO A 290 ? 0.2017 0.5767 0.2909 0.0541 0.0009 -0.0558 313 PRO A CA 1965 C C . PRO A 290 ? 0.2376 0.6414 0.3352 0.0428 0.0049 -0.0566 313 PRO A C 1966 O O . PRO A 290 ? 0.2426 0.6595 0.3365 0.0248 0.0081 -0.0480 313 PRO A O 1967 C CB . PRO A 290 ? 0.1311 0.4784 0.2182 0.0528 -0.0075 -0.0430 313 PRO A CB 1968 C CG . PRO A 290 ? 0.1358 0.4646 0.2268 0.0688 -0.0131 -0.0475 313 PRO A CG 1969 C CD . PRO A 290 ? 0.1479 0.4787 0.2390 0.0831 -0.0099 -0.0606 313 PRO A CD 1970 N N . VAL A 291 ? 0.1549 0.5689 0.2638 0.0518 0.0047 -0.0657 314 VAL A N 1971 C CA . VAL A 291 ? 0.1936 0.6376 0.3121 0.0409 0.0093 -0.0679 314 VAL A CA 1972 C C . VAL A 291 ? 0.2816 0.7468 0.4051 0.0484 0.0161 -0.0832 314 VAL A C 1973 O O . VAL A 291 ? 0.3785 0.8462 0.5138 0.0627 0.0136 -0.0922 314 VAL A O 1974 C CB . VAL A 291 ? 0.2644 0.7064 0.3950 0.0427 0.0027 -0.0653 314 VAL A CB 1975 C CG1 . VAL A 291 ? 0.2733 0.7477 0.4147 0.0293 0.0080 -0.0674 314 VAL A CG1 1976 C CG2 . VAL A 291 ? 0.2737 0.6897 0.3988 0.0369 -0.0044 -0.0518 314 VAL A CG2 1977 N N . SER A 292 ? 0.1948 0.6740 0.3089 0.0392 0.0242 -0.0862 315 SER A N 1978 C CA . SER A 292 ? 0.1994 0.6967 0.3164 0.0452 0.0316 -0.1018 315 SER A CA 1979 C C . SER A 292 ? 0.2087 0.7284 0.3144 0.0258 0.0409 -0.1007 315 SER A C 1980 O O . SER A 292 ? 0.2030 0.7154 0.2935 0.0125 0.0409 -0.0891 315 SER A O 1981 C CB . SER A 292 ? 0.2039 0.6788 0.3163 0.0629 0.0301 -0.1108 315 SER A CB 1982 O OG . SER A 292 ? 0.2535 0.7135 0.3486 0.0564 0.0308 -0.1049 315 SER A OG 1983 N N . GLY A 293 ? 0.2255 0.7726 0.3387 0.0241 0.0486 -0.1125 316 GLY A N 1984 C CA . GLY A 293 ? 0.2402 0.8075 0.3405 0.0067 0.0580 -0.1134 316 GLY A CA 1985 C C . GLY A 293 ? 0.2433 0.7956 0.3244 0.0062 0.0593 -0.1142 316 GLY A C 1986 O O . GLY A 293 ? 0.2494 0.8065 0.3129 -0.0118 0.0624 -0.1056 316 GLY A O 1987 N N . GLN A 294 ? 0.2414 0.7728 0.3247 0.0252 0.0561 -0.1235 317 GLN A N 1988 C CA . GLN A 294 ? 0.2465 0.7625 0.3122 0.0249 0.0574 -0.1260 317 GLN A CA 1989 C C . GLN A 294 ? 0.2313 0.7314 0.2818 0.0135 0.0520 -0.1081 317 GLN A C 1990 O O . GLN A 294 ? 0.2394 0.7401 0.2710 0.0003 0.0544 -0.1039 317 GLN A O 1991 C CB . GLN A 294 ? 0.2499 0.7424 0.3218 0.0475 0.0546 -0.1388 317 GLN A CB 1992 C CG . GLN A 294 ? 0.2710 0.7771 0.3557 0.0588 0.0608 -0.1574 317 GLN A CG 1993 C CD . GLN A 294 ? 0.2991 0.8155 0.4066 0.0699 0.0577 -0.1597 317 GLN A CD 1994 O OE1 . GLN A 294 ? 0.2526 0.7701 0.3661 0.0663 0.0518 -0.1477 317 GLN A OE1 1995 N NE2 . GLN A 294 ? 0.3153 0.8399 0.4360 0.0832 0.0618 -0.1757 317 GLN A NE2 1996 N N . VAL A 295 ? 0.2116 0.6976 0.2702 0.0176 0.0443 -0.0970 318 VAL A N 1997 C CA . VAL A 295 ? 0.2776 0.7492 0.3248 0.0075 0.0394 -0.0799 318 VAL A CA 1998 C C . VAL A 295 ? 0.2360 0.7246 0.2724 -0.0165 0.0422 -0.0662 318 VAL A C 1999 O O . VAL A 295 ? 0.2080 0.6903 0.2265 -0.0287 0.0411 -0.0555 318 VAL A O 2000 C CB . VAL A 295 ? 0.2529 0.7050 0.3129 0.0173 0.0305 -0.0716 318 VAL A CB 2001 C CG1 . VAL A 295 ? 0.2647 0.7098 0.3190 0.0021 0.0260 -0.0516 318 VAL A CG1 2002 C CG2 . VAL A 295 ? 0.2490 0.6748 0.3092 0.0364 0.0267 -0.0791 318 VAL A CG2 2003 N N . ILE A 296 ? 0.2109 0.7195 0.2567 -0.0241 0.0453 -0.0659 319 ILE A N 2004 C CA . ILE A 296 ? 0.2841 0.8059 0.3182 -0.0476 0.0481 -0.0527 319 ILE A CA 2005 C C . ILE A 296 ? 0.2442 0.7750 0.2584 -0.0571 0.0537 -0.0565 319 ILE A C 2006 O O . ILE A 296 ? 0.2529 0.7792 0.2492 -0.0740 0.0517 -0.0413 319 ILE A O 2007 C CB . ILE A 296 ? 0.2299 0.7725 0.2775 -0.0542 0.0518 -0.0542 319 ILE A CB 2008 C CG1 . ILE A 296 ? 0.2215 0.7498 0.2829 -0.0515 0.0442 -0.0444 319 ILE A CG1 2009 C CG2 . ILE A 296 ? 0.2513 0.8092 0.2844 -0.0782 0.0569 -0.0443 319 ILE A CG2 2010 C CD1 . ILE A 296 ? 0.2387 0.7835 0.3192 -0.0483 0.0461 -0.0524 319 ILE A CD1 2011 N N . LYS A 297 ? 0.2554 0.7959 0.2721 -0.0463 0.0597 -0.0761 320 LYS A N 2012 C CA . LYS A 297 ? 0.2774 0.8239 0.2748 -0.0549 0.0647 -0.0811 320 LYS A CA 2013 C C . LYS A 297 ? 0.2970 0.8190 0.2770 -0.0559 0.0581 -0.0728 320 LYS A C 2014 O O . LYS A 297 ? 0.2987 0.8204 0.2584 -0.0717 0.0572 -0.0629 320 LYS A O 2015 C CB . LYS A 297 ? 0.2909 0.8485 0.2965 -0.0412 0.0721 -0.1050 320 LYS A CB 2016 C CG . LYS A 297 ? 0.3619 0.9505 0.3791 -0.0456 0.0808 -0.1139 320 LYS A CG 2017 C CD . LYS A 297 ? 0.4712 1.0699 0.4948 -0.0329 0.0885 -0.1372 320 LYS A CD 2018 C CE . LYS A 297 ? 0.5408 1.1465 0.5919 -0.0142 0.0890 -0.1496 320 LYS A CE 2019 N NZ . LYS A 297 ? 0.5443 1.1326 0.6040 0.0087 0.0879 -0.1659 320 LYS A NZ 2020 N N . SER A 298 ? 0.2537 0.7543 0.2413 -0.0393 0.0529 -0.0759 321 SER A N 2021 C CA . SER A 298 ? 0.2619 0.7390 0.2337 -0.0399 0.0466 -0.0687 321 SER A CA 2022 C C . SER A 298 ? 0.2604 0.7299 0.2223 -0.0558 0.0395 -0.0440 321 SER A C 2023 O O . SER A 298 ? 0.3036 0.7610 0.2468 -0.0649 0.0342 -0.0345 321 SER A O 2024 C CB . SER A 298 ? 0.2330 0.6881 0.2157 -0.0187 0.0431 -0.0774 321 SER A CB 2025 O OG . SER A 298 ? 0.2105 0.6578 0.2050 -0.0157 0.0378 -0.0644 321 SER A OG 2026 N N . LEU A 299 ? 0.2322 0.7070 0.2071 -0.0597 0.0382 -0.0330 322 LEU A N 2027 C CA . LEU A 299 ? 0.2302 0.6942 0.1976 -0.0747 0.0311 -0.0088 322 LEU A CA 2028 C C . LEU A 299 ? 0.2562 0.7295 0.2065 -0.0951 0.0318 0.0015 322 LEU A C 2029 O O . LEU A 299 ? 0.3075 0.7652 0.2445 -0.1064 0.0238 0.0202 322 LEU A O 2030 C CB . LEU A 299 ? 0.2138 0.6791 0.2017 -0.0743 0.0298 -0.0014 322 LEU A CB 2031 C CG . LEU A 299 ? 0.1902 0.6338 0.1966 -0.0562 0.0233 -0.0045 322 LEU A CG 2032 C CD1 . LEU A 299 ? 0.1789 0.6348 0.2076 -0.0557 0.0242 -0.0041 322 LEU A CD1 2033 C CD2 . LEU A 299 ? 0.2316 0.6368 0.2312 -0.0571 0.0106 0.0118 322 LEU A CD2 2034 N N . GLN A 300 ? 0.2722 0.7697 0.2239 -0.0996 0.0406 -0.0099 323 GLN A N 2035 C CA . GLN A 300 ? 0.3193 0.8272 0.2531 -0.1184 0.0426 -0.0021 323 GLN A CA 2036 C C . GLN A 300 ? 0.3156 0.8157 0.2299 -0.1197 0.0402 -0.0046 323 GLN A C 2037 O O . GLN A 300 ? 0.3347 0.8285 0.2315 -0.1343 0.0351 0.0108 323 GLN A O 2038 C CB . GLN A 300 ? 0.3154 0.8522 0.2559 -0.1217 0.0537 -0.0159 323 GLN A CB 2039 C CG . GLN A 300 ? 0.3148 0.8580 0.2720 -0.1249 0.0545 -0.0101 323 GLN A CG 2040 C CD . GLN A 300 ? 0.3377 0.9098 0.3000 -0.1319 0.0649 -0.0205 323 GLN A CD 2041 O OE1 . GLN A 300 ? 0.4237 1.0127 0.3950 -0.1206 0.0723 -0.0412 323 GLN A OE1 2042 N NE2 . GLN A 300 ? 0.3860 0.9629 0.3432 -0.1505 0.0657 -0.0061 323 GLN A NE2 2043 N N . MET A 301 ? 0.3092 0.8070 0.2265 -0.1043 0.0430 -0.0236 324 MET A N 2044 C CA . MET A 301 ? 0.3232 0.8108 0.2228 -0.1052 0.0400 -0.0270 324 MET A CA 2045 C C . MET A 301 ? 0.3601 0.8204 0.2528 -0.1068 0.0271 -0.0085 324 MET A C 2046 O O . MET A 301 ? 0.3861 0.8385 0.2618 -0.1163 0.0212 0.0006 324 MET A O 2047 C CB . MET A 301 ? 0.3662 0.8533 0.2722 -0.0879 0.0456 -0.0520 324 MET A CB 2048 C CG . MET A 301 ? 0.5359 1.0174 0.4237 -0.0906 0.0451 -0.0600 324 MET A CG 2049 S SD . MET A 301 ? 0.6911 1.1499 0.5866 -0.0691 0.0437 -0.0790 324 MET A SD 2050 C CE . MET A 301 ? 0.5557 1.0308 0.4724 -0.0538 0.0553 -0.1013 324 MET A CE 2051 N N . ALA A 302 ? 0.3596 0.8054 0.2660 -0.0976 0.0222 -0.0022 325 ALA A N 2052 C CA . ALA A 302 ? 0.3398 0.7595 0.2423 -0.0999 0.0093 0.0172 325 ALA A CA 2053 C C . ALA A 302 ? 0.3989 0.8174 0.2943 -0.1175 0.0042 0.0398 325 ALA A C 2054 O O . ALA A 302 ? 0.3956 0.7978 0.2808 -0.1235 -0.0055 0.0535 325 ALA A O 2055 C CB . ALA A 302 ? 0.2667 0.6718 0.1847 -0.0870 0.0055 0.0191 325 ALA A CB 2056 N N . ASP A 303 ? 0.3678 0.8026 0.2695 -0.1256 0.0102 0.0433 326 ASP A N 2057 C CA . ASP A 303 ? 0.3772 0.8077 0.2715 -0.1427 0.0052 0.0647 326 ASP A CA 2058 C C . ASP A 303 ? 0.3722 0.8078 0.2453 -0.1547 0.0042 0.0684 326 ASP A C 2059 O O . ASP A 303 ? 0.3813 0.8013 0.2451 -0.1643 -0.0053 0.0880 326 ASP A O 2060 C CB . ASP A 303 ? 0.3209 0.7688 0.2246 -0.1504 0.0128 0.0650 326 ASP A CB 2061 C CG . ASP A 303 ? 0.3424 0.7803 0.2387 -0.1676 0.0069 0.0877 326 ASP A CG 2062 O OD1 . ASP A 303 ? 0.3642 0.7781 0.2676 -0.1671 -0.0025 0.1035 326 ASP A OD1 2063 O OD2 . ASP A 303 ? 0.3708 0.8226 0.2538 -0.1813 0.0113 0.0898 326 ASP A OD2 2064 N N . ARG A 304 ? 0.4032 0.8598 0.2686 -0.1540 0.0138 0.0496 327 ARG A N 2065 C CA . ARG A 304 ? 0.3955 0.8585 0.2389 -0.1656 0.0134 0.0518 327 ARG A CA 2066 C C . ARG A 304 ? 0.4341 0.8766 0.2682 -0.1612 0.0027 0.0561 327 ARG A C 2067 O O . ARG A 304 ? 0.4240 0.8622 0.2409 -0.1718 -0.0038 0.0683 327 ARG A O 2068 C CB . ARG A 304 ? 0.4088 0.8993 0.2478 -0.1652 0.0270 0.0287 327 ARG A CB 2069 C CG . ARG A 304 ? 0.4794 0.9938 0.3130 -0.1798 0.0361 0.0298 327 ARG A CG 2070 C CD . ARG A 304 ? 0.5430 1.0819 0.3926 -0.1717 0.0497 0.0069 327 ARG A CD 2071 N NE . ARG A 304 ? 0.5942 1.1362 0.4471 -0.1566 0.0544 -0.0165 327 ARG A NE 2072 C CZ . ARG A 304 ? 0.5351 1.0847 0.4082 -0.1406 0.0612 -0.0358 327 ARG A CZ 2073 N NH1 . ARG A 304 ? 0.5172 1.0750 0.4091 -0.1377 0.0641 -0.0349 327 ARG A NH1 2074 N NH2 . ARG A 304 ? 0.5727 1.1202 0.4476 -0.1269 0.0646 -0.0561 327 ARG A NH2 2075 N N . THR A 305 ? 0.4276 0.8579 0.2725 -0.1455 0.0006 0.0456 328 THR A N 2076 C CA . THR A 305 ? 0.3969 0.8064 0.2359 -0.1410 -0.0103 0.0496 328 THR A CA 2077 C C . THR A 305 ? 0.3960 0.7852 0.2351 -0.1472 -0.0235 0.0754 328 THR A C 2078 O O . THR A 305 ? 0.4479 0.8293 0.2745 -0.1527 -0.0322 0.0847 328 THR A O 2079 C CB . THR A 305 ? 0.3530 0.7495 0.2058 -0.1236 -0.0110 0.0363 328 THR A CB 2080 O OG1 . THR A 305 ? 0.3785 0.7905 0.2311 -0.1166 0.0003 0.0115 328 THR A OG1 2081 C CG2 . THR A 305 ? 0.3957 0.7698 0.2447 -0.1198 -0.0234 0.0412 328 THR A CG2 2082 N N . LEU A 306 ? 0.4112 0.7913 0.2654 -0.1457 -0.0254 0.0864 329 LEU A N 2083 C CA . LEU A 306 ? 0.4220 0.7799 0.2798 -0.1499 -0.0377 0.1097 329 LEU A CA 2084 C C . LEU A 306 ? 0.4358 0.8004 0.2780 -0.1669 -0.0391 0.1246 329 LEU A C 2085 O O . LEU A 306 ? 0.4763 0.8241 0.3135 -0.1711 -0.0506 0.1420 329 LEU A O 2086 C CB . LEU A 306 ? 0.3927 0.7397 0.2704 -0.1442 -0.0382 0.1153 329 LEU A CB 2087 C CG . LEU A 306 ? 0.4472 0.7679 0.3339 -0.1459 -0.0502 0.1368 329 LEU A CG 2088 C CD1 . LEU A 306 ? 0.4266 0.7507 0.3077 -0.1615 -0.0497 0.1520 329 LEU A CD1 2089 C CD2 . LEU A 306 ? 0.3575 0.6592 0.2415 -0.1414 -0.0623 0.1438 329 LEU A CD2 2090 N N . GLY A 307 ? 0.4121 0.8006 0.2473 -0.1763 -0.0277 0.1179 330 GLY A N 2091 C CA . GLY A 307 ? 0.4632 0.8592 0.2805 -0.1934 -0.0280 0.1306 330 GLY A CA 2092 C C . GLY A 307 ? 0.4771 0.8731 0.2737 -0.1977 -0.0338 0.1328 330 GLY A C 2093 O O . GLY A 307 ? 0.5036 0.8874 0.2893 -0.2059 -0.0437 0.1520 330 GLY A O 2094 N N . MET A 308 ? 0.4739 0.8828 0.2649 -0.1915 -0.0281 0.1128 331 MET A N 2095 C CA . MET A 308 ? 0.4989 0.9085 0.2704 -0.1948 -0.0339 0.1123 331 MET A CA 2096 C C . MET A 308 ? 0.4989 0.8823 0.2736 -0.1899 -0.0506 0.1286 331 MET A C 2097 O O . MET A 308 ? 0.5303 0.9107 0.2882 -0.1976 -0.0593 0.1408 331 MET A O 2098 C CB . MET A 308 ? 0.4947 0.9165 0.2647 -0.1862 -0.0261 0.0865 331 MET A CB 2099 C CG . MET A 308 ? 0.6367 1.0860 0.3990 -0.1923 -0.0109 0.0702 331 MET A CG 2100 S SD . MET A 308 ? 0.8381 1.2968 0.5890 -0.1865 -0.0063 0.0446 331 MET A SD 2101 C CE . MET A 308 ? 0.6413 1.1137 0.4125 -0.1747 0.0092 0.0209 331 MET A CE 2102 N N . LEU A 309 ? 0.4855 0.8506 0.2820 -0.1767 -0.0553 0.1287 332 LEU A N 2103 C CA . LEU A 309 ? 0.4651 0.8063 0.2683 -0.1705 -0.0706 0.1422 332 LEU A CA 2104 C C . LEU A 309 ? 0.5072 0.8354 0.3078 -0.1790 -0.0798 0.1670 332 LEU A C 2105 O O . LEU A 309 ? 0.5123 0.8312 0.3043 -0.1809 -0.0918 0.1792 332 LEU A O 2106 C CB . LEU A 309 ? 0.4266 0.7510 0.2543 -0.1550 -0.0724 0.1366 332 LEU A CB 2107 C CG . LEU A 309 ? 0.4254 0.7255 0.2649 -0.1472 -0.0872 0.1490 332 LEU A CG 2108 C CD1 . LEU A 309 ? 0.4394 0.7422 0.2675 -0.1458 -0.0945 0.1435 332 LEU A CD1 2109 C CD2 . LEU A 309 ? 0.3870 0.6697 0.2525 -0.1329 -0.0878 0.1450 332 LEU A CD2 2110 N N . MET A 310 ? 0.4839 0.8108 0.2920 -0.1841 -0.0749 0.1744 333 MET A N 2111 C CA . MET A 310 ? 0.5074 0.8183 0.3143 -0.1921 -0.0835 0.1975 333 MET A CA 2112 C C . MET A 310 ? 0.5533 0.8749 0.3330 -0.2075 -0.0849 0.2077 333 MET A C 2113 O O . MET A 310 ? 0.5812 0.8868 0.3546 -0.2112 -0.0970 0.2269 333 MET A O 2114 C CB . MET A 310 ? 0.5579 0.8662 0.3781 -0.1954 -0.0771 0.2012 333 MET A CB 2115 C CG . MET A 310 ? 0.4756 0.7727 0.3211 -0.1813 -0.0761 0.1933 333 MET A CG 2116 S SD . MET A 310 ? 0.5882 0.8615 0.4455 -0.1661 -0.0901 0.1961 333 MET A SD 2117 C CE . MET A 310 ? 0.5540 0.7953 0.4274 -0.1639 -0.1029 0.2178 333 MET A CE 2118 N N . GLU A 311 ? 0.5643 0.9125 0.3278 -0.2166 -0.0725 0.1951 334 GLU A N 2119 C CA . GLU A 311 ? 0.6108 0.9702 0.3463 -0.2318 -0.0731 0.2039 334 GLU A CA 2120 C C . GLU A 311 ? 0.6296 0.9852 0.3518 -0.2287 -0.0845 0.2062 334 GLU A C 2121 O O . GLU A 311 ? 0.6685 1.0177 0.3733 -0.2369 -0.0942 0.2238 334 GLU A O 2122 C CB . GLU A 311 ? 0.6182 1.0086 0.3411 -0.2412 -0.0561 0.1869 334 GLU A CB 2123 C CG . GLU A 311 ? 0.5973 0.9957 0.3357 -0.2430 -0.0441 0.1811 334 GLU A CG 2124 C CD . GLU A 311 ? 0.6822 1.0753 0.4135 -0.2581 -0.0445 0.2007 334 GLU A CD 2125 O OE1 . GLU A 311 ? 0.7164 1.1221 0.4549 -0.2633 -0.0333 0.1948 334 GLU A OE1 2126 O OE2 . GLU A 311 ? 0.7255 1.1018 0.4439 -0.2646 -0.0561 0.2215 334 GLU A OE2 2127 N N . GLY A 312 ? 0.6039 0.9622 0.3342 -0.2166 -0.0842 0.1889 335 GLY A N 2128 C CA . GLY A 312 ? 0.6188 0.9729 0.3398 -0.2125 -0.0959 0.1898 335 GLY A CA 2129 C C . GLY A 312 ? 0.6255 0.9540 0.3563 -0.2066 -0.1133 0.2105 335 GLY A C 2130 O O . GLY A 312 ? 0.6580 0.9842 0.3737 -0.2096 -0.1251 0.2211 335 GLY A O 2131 N N . LEU A 313 ? 0.5963 0.9057 0.3530 -0.1974 -0.1154 0.2156 336 LEU A N 2132 C CA . LEU A 313 ? 0.6049 0.8895 0.3733 -0.1913 -0.1310 0.2347 336 LEU A CA 2133 C C . LEU A 313 ? 0.6493 0.9279 0.4005 -0.2042 -0.1367 0.2571 336 LEU A C 2134 O O . LEU A 313 ? 0.6795 0.9473 0.4236 -0.2035 -0.1511 0.2724 336 LEU A O 2135 C CB . LEU A 313 ? 0.5668 0.8324 0.3660 -0.1794 -0.1305 0.2340 336 LEU A CB 2136 C CG . LEU A 313 ? 0.5337 0.7986 0.3529 -0.1648 -0.1268 0.2151 336 LEU A CG 2137 C CD1 . LEU A 313 ? 0.4938 0.7379 0.3415 -0.1544 -0.1277 0.2179 336 LEU A CD1 2138 C CD2 . LEU A 313 ? 0.5286 0.7933 0.3465 -0.1573 -0.1369 0.2107 336 LEU A CD2 2139 N N . LYS A 314 ? 0.6561 0.9420 0.4004 -0.2160 -0.1258 0.2594 337 LYS A N 2140 C CA . LYS A 314 ? 0.7017 0.9812 0.4279 -0.2298 -0.1301 0.2806 337 LYS A CA 2141 C C . LYS A 314 ? 0.7459 1.0376 0.4416 -0.2385 -0.1359 0.2862 337 LYS A C 2142 O O . LYS A 314 ? 0.7830 1.0601 0.4686 -0.2407 -0.1496 0.3063 337 LYS A O 2143 C CB . LYS A 314 ? 0.7035 0.9940 0.4251 -0.2428 -0.1155 0.2788 337 LYS A CB 2144 C CG . LYS A 314 ? 0.7540 1.0347 0.4567 -0.2579 -0.1199 0.3021 337 LYS A CG 2145 C CD . LYS A 314 ? 0.7608 1.0527 0.4581 -0.2722 -0.1055 0.3011 337 LYS A CD 2146 C CE . LYS A 314 ? 0.8190 1.0975 0.4962 -0.2876 -0.1105 0.3259 337 LYS A CE 2147 N NZ . LYS A 314 ? 0.8548 1.0982 0.5494 -0.2821 -0.1215 0.3439 337 LYS A NZ 2148 N N . GLN A 315 ? 0.7443 1.0624 0.4249 -0.2432 -0.1257 0.2680 338 GLN A N 2149 C CA . GLN A 315 ? 0.7849 1.1175 0.4355 -0.2514 -0.1299 0.2692 338 GLN A CA 2150 C C . GLN A 315 ? 0.8004 1.1183 0.4511 -0.2425 -0.1492 0.2805 338 GLN A C 2151 O O . GLN A 315 ? 0.8481 1.1658 0.4749 -0.2505 -0.1592 0.2960 338 GLN A O 2152 C CB . GLN A 315 ? 0.7680 1.1269 0.4123 -0.2513 -0.1172 0.2423 338 GLN A CB 2153 C CG . GLN A 315 ? 0.8002 1.1721 0.4193 -0.2548 -0.1235 0.2381 338 GLN A CG 2154 C CD . GLN A 315 ? 0.7936 1.1921 0.4024 -0.2585 -0.1080 0.2121 338 GLN A CD 2155 O OE1 . GLN A 315 ? 0.8011 1.2121 0.4140 -0.2629 -0.0920 0.2012 338 GLN A OE1 2156 N NE2 . GLN A 315 ? 0.8045 1.2120 0.4013 -0.2561 -0.1128 0.2006 338 GLN A NE2 2157 N N . ARG A 316 ? 0.7622 1.0691 0.4396 -0.2259 -0.1548 0.2725 339 ARG A N 2158 C CA . ARG A 316 ? 0.7710 1.0654 0.4547 -0.2151 -0.1728 0.2805 339 ARG A CA 2159 C C . ARG A 316 ? 0.7794 1.0463 0.4793 -0.2091 -0.1850 0.3024 339 ARG A C 2160 O O . ARG A 316 ? 0.7822 1.0372 0.4941 -0.1974 -0.1999 0.3085 339 ARG A O 2161 C CB . ARG A 316 ? 0.7276 1.0245 0.4329 -0.2005 -0.1720 0.2600 339 ARG A CB 2162 C CG . ARG A 316 ? 0.7236 1.0449 0.4133 -0.2049 -0.1621 0.2376 339 ARG A CG 2163 C CD . ARG A 316 ? 0.6744 0.9957 0.3878 -0.1921 -0.1555 0.2158 339 ARG A CD 2164 N NE . ARG A 316 ? 0.6776 1.0188 0.3761 -0.1947 -0.1500 0.1950 339 ARG A NE 2165 C CZ . ARG A 316 ? 0.6808 1.0406 0.3639 -0.2036 -0.1347 0.1807 339 ARG A CZ 2166 N NH1 . ARG A 316 ? 0.6794 1.0425 0.3609 -0.2109 -0.1232 0.1849 339 ARG A NH1 2167 N NH2 . ARG A 316 ? 0.6866 1.0621 0.3570 -0.2050 -0.1306 0.1610 339 ARG A NH2 2168 N N . ASN A 317 ? 0.7847 1.0415 0.4861 -0.2164 -0.1790 0.3132 340 ASN A N 2169 C CA . ASN A 317 ? 0.7968 1.0251 0.5129 -0.2113 -0.1899 0.3335 340 ASN A CA 2170 C C . ASN A 317 ? 0.7537 0.9662 0.5060 -0.1925 -0.1940 0.3261 340 ASN A C 2171 O O . ASN A 317 ? 0.7651 0.9573 0.5312 -0.1827 -0.2080 0.3390 340 ASN A O 2172 C CB . ASN A 317 ? 0.8675 1.0876 0.5642 -0.2139 -0.2071 0.3550 340 ASN A CB 2173 C CG . ASN A 317 ? 0.9279 1.1263 0.6185 -0.2214 -0.2115 0.3788 340 ASN A CG 2174 O OD1 . ASN A 317 ? 0.9492 1.1537 0.6195 -0.2374 -0.2024 0.3843 340 ASN A OD1 2175 N ND2 . ASN A 317 ? 1.0011 1.1741 0.7092 -0.2100 -0.2254 0.3929 340 ASN A ND2 2176 N N . LEU A 318 ? 0.7323 0.9546 0.5001 -0.1872 -0.1818 0.3050 341 LEU A N 2177 C CA . LEU A 318 ? 0.6833 0.8936 0.4833 -0.1701 -0.1837 0.2952 341 LEU A CA 2178 C C . LEU A 318 ? 0.7089 0.9094 0.5294 -0.1680 -0.1730 0.2902 341 LEU A C 2179 O O . LEU A 318 ? 0.6885 0.8786 0.5355 -0.1544 -0.1732 0.2816 341 LEU A O 2180 C CB . LEU A 318 ? 0.6378 0.8658 0.4394 -0.1635 -0.1802 0.2738 341 LEU A CB 2181 C CG . LEU A 318 ? 0.6797 0.9171 0.4683 -0.1616 -0.1924 0.2741 341 LEU A CG 2182 C CD1 . LEU A 318 ? 0.6400 0.8973 0.4243 -0.1600 -0.1849 0.2507 341 LEU A CD1 2183 C CD2 . LEU A 318 ? 0.6648 0.8851 0.4748 -0.1474 -0.2084 0.2829 341 LEU A CD2 2184 N N . HIS A 319 ? 0.7025 0.9069 0.5114 -0.1814 -0.1636 0.2948 342 HIS A N 2185 C CA . HIS A 319 ? 0.6866 0.8866 0.5133 -0.1803 -0.1527 0.2876 342 HIS A CA 2186 C C . HIS A 319 ? 0.6358 0.8066 0.4877 -0.1706 -0.1605 0.2974 342 HIS A C 2187 O O . HIS A 319 ? 0.6296 0.7942 0.5029 -0.1634 -0.1544 0.2878 342 HIS A O 2188 C CB . HIS A 319 ? 0.7617 0.9743 0.5705 -0.1976 -0.1415 0.2904 342 HIS A CB 2189 C CG . HIS A 319 ? 0.8453 1.0497 0.6334 -0.2104 -0.1482 0.3120 342 HIS A CG 2190 N ND1 . HIS A 319 ? 0.9328 1.1104 0.7293 -0.2110 -0.1555 0.3297 342 HIS A ND1 2191 C CD2 . HIS A 319 ? 0.8983 1.1171 0.6563 -0.2235 -0.1484 0.3186 342 HIS A CD2 2192 C CE1 . HIS A 319 ? 0.9300 1.1050 0.7022 -0.2239 -0.1600 0.3473 342 HIS A CE1 2193 N NE2 . HIS A 319 ? 0.9292 1.1296 0.6772 -0.2320 -0.1557 0.3411 342 HIS A NE2 2194 N N . ASN A 320 ? 0.6609 0.8133 0.5106 -0.1699 -0.1739 0.3160 343 ASN A N 2195 C CA . ASN A 320 ? 0.6785 0.8027 0.5535 -0.1581 -0.1826 0.3237 343 ASN A CA 2196 C C . ASN A 320 ? 0.6867 0.8055 0.5752 -0.1425 -0.1947 0.3223 343 ASN A C 2197 O O . ASN A 320 ? 0.7340 0.8305 0.6407 -0.1325 -0.2044 0.3309 343 ASN A O 2198 C CB . ASN A 320 ? 0.8318 0.9356 0.6980 -0.1669 -0.1888 0.3455 343 ASN A CB 2199 C CG . ASN A 320 ? 0.9274 1.0355 0.7837 -0.1823 -0.1764 0.3463 343 ASN A CG 2200 O OD1 . ASN A 320 ? 0.9941 1.1273 0.8321 -0.1934 -0.1661 0.3386 343 ASN A OD1 2201 N ND2 . ASN A 320 ? 0.9303 1.0146 0.7997 -0.1827 -0.1769 0.3543 343 ASN A ND2 2202 N N . CYS A 321 ? 0.6625 0.8021 0.5427 -0.1404 -0.1941 0.3106 344 CYS A N 2203 C CA . CYS A 321 ? 0.6498 0.7896 0.5442 -0.1259 -0.2033 0.3043 344 CYS A CA 2204 C C . CYS A 321 ? 0.5620 0.7072 0.4774 -0.1155 -0.1942 0.2829 344 CYS A C 2205 O O . CYS A 321 ? 0.5445 0.6771 0.4859 -0.1017 -0.1982 0.2789 344 CYS A O 2206 C CB . CYS A 321 ? 0.6807 0.8397 0.5502 -0.1313 -0.2097 0.3056 344 CYS A CB 2207 S SG . CYS A 321 ? 0.7269 0.8907 0.6117 -0.1156 -0.2218 0.2977 344 CYS A SG 2208 N N . VAL A 322 ? 0.5409 0.7051 0.4446 -0.1217 -0.1820 0.2685 345 VAL A N 2209 C CA . VAL A 322 ? 0.6021 0.7716 0.5215 -0.1125 -0.1734 0.2484 345 VAL A CA 2210 C C . VAL A 322 ? 0.4711 0.6252 0.4121 -0.1074 -0.1666 0.2459 345 VAL A C 2211 O O . VAL A 322 ? 0.4771 0.6279 0.4127 -0.1165 -0.1613 0.2526 345 VAL A O 2212 C CB . VAL A 322 ? 0.5997 0.7927 0.4994 -0.1205 -0.1622 0.2341 345 VAL A CB 2213 C CG1 . VAL A 322 ? 0.4451 0.6406 0.3604 -0.1113 -0.1526 0.2144 345 VAL A CG1 2214 C CG2 . VAL A 322 ? 0.5284 0.7367 0.4082 -0.1243 -0.1692 0.2334 345 VAL A CG2 2215 N N . ASN A 323 ? 0.4439 0.5890 0.4093 -0.0936 -0.1668 0.2360 346 ASN A N 2216 C CA . ASN A 323 ? 0.4128 0.5485 0.3960 -0.0886 -0.1577 0.2278 346 ASN A CA 2217 C C . ASN A 323 ? 0.3917 0.5441 0.3681 -0.0894 -0.1456 0.2104 346 ASN A C 2218 O O . ASN A 323 ? 0.3752 0.5378 0.3495 -0.0848 -0.1456 0.1990 346 ASN A O 2219 C CB . ASN A 323 ? 0.3986 0.5179 0.4100 -0.0737 -0.1620 0.2239 346 ASN A CB 2220 C CG . ASN A 323 ? 0.5014 0.6015 0.5229 -0.0714 -0.1724 0.2398 346 ASN A CG 2221 O OD1 . ASN A 323 ? 0.5002 0.5928 0.5379 -0.0607 -0.1808 0.2407 346 ASN A OD1 2222 N ND2 . ASN A 323 ? 0.4441 0.5364 0.4567 -0.0815 -0.1719 0.2521 346 ASN A ND2 2223 N N . LEU A 324 ? 0.3821 0.5375 0.3553 -0.0954 -0.1360 0.2082 347 LEU A N 2224 C CA . LEU A 324 ? 0.3590 0.5307 0.3251 -0.0959 -0.1245 0.1925 347 LEU A CA 2225 C C . LEU A 324 ? 0.3207 0.4831 0.3049 -0.0887 -0.1178 0.1850 347 LEU A C 2226 O O . LEU A 324 ? 0.3236 0.4752 0.3154 -0.0918 -0.1179 0.1936 347 LEU A O 2227 C CB . LEU A 324 ? 0.3655 0.5564 0.3082 -0.1104 -0.1182 0.1949 347 LEU A CB 2228 C CG . LEU A 324 ? 0.3536 0.5613 0.2920 -0.1105 -0.1054 0.1787 347 LEU A CG 2229 C CD1 . LEU A 324 ? 0.3338 0.5512 0.2665 -0.1044 -0.1040 0.1635 347 LEU A CD1 2230 C CD2 . LEU A 324 ? 0.3582 0.5847 0.2783 -0.1250 -0.0980 0.1817 347 LEU A CD2 2231 N N . ILE A 325 ? 0.3875 0.5526 0.3782 -0.0793 -0.1128 0.1692 348 ILE A N 2232 C CA . ILE A 325 ? 0.3482 0.5083 0.3516 -0.0727 -0.1052 0.1600 348 ILE A CA 2233 C C . ILE A 325 ? 0.2952 0.4754 0.2849 -0.0751 -0.0956 0.1473 348 ILE A C 2234 O O . ILE A 325 ? 0.2561 0.4460 0.2373 -0.0729 -0.0943 0.1368 348 ILE A O 2235 C CB . ILE A 325 ? 0.2509 0.3962 0.2743 -0.0589 -0.1068 0.1514 348 ILE A CB 2236 C CG1 . ILE A 325 ? 0.2635 0.3912 0.3022 -0.0555 -0.1158 0.1622 348 ILE A CG1 2237 C CG2 . ILE A 325 ? 0.2259 0.3674 0.2590 -0.0527 -0.0984 0.1411 348 ILE A CG2 2238 C CD1 . ILE A 325 ? 0.2612 0.3777 0.3204 -0.0423 -0.1166 0.1526 348 ILE A CD1 2239 N N . LEU A 326 ? 0.2525 0.4400 0.2402 -0.0800 -0.0892 0.1479 349 LEU A N 2240 C CA . LEU A 326 ? 0.2909 0.4986 0.2691 -0.0803 -0.0795 0.1346 349 LEU A CA 2241 C C . LEU A 326 ? 0.2330 0.4333 0.2270 -0.0700 -0.0756 0.1260 349 LEU A C 2242 O O . LEU A 326 ? 0.2276 0.4188 0.2322 -0.0713 -0.0769 0.1337 349 LEU A O 2243 C CB . LEU A 326 ? 0.2571 0.4851 0.2201 -0.0947 -0.0745 0.1408 349 LEU A CB 2244 C CG . LEU A 326 ? 0.2991 0.5513 0.2554 -0.0949 -0.0634 0.1265 349 LEU A CG 2245 C CD1 . LEU A 326 ? 0.2827 0.5439 0.2296 -0.0893 -0.0606 0.1112 349 LEU A CD1 2246 C CD2 . LEU A 326 ? 0.3345 0.6082 0.2789 -0.1104 -0.0570 0.1326 349 LEU A CD2 2247 N N . LEU A 327 ? 0.2002 0.4031 0.1959 -0.0601 -0.0715 0.1101 350 LEU A N 2248 C CA . LEU A 327 ? 0.1790 0.3740 0.1892 -0.0497 -0.0681 0.1014 350 LEU A CA 2249 C C . LEU A 327 ? 0.2558 0.4642 0.2607 -0.0429 -0.0617 0.0842 350 LEU A C 2250 O O . LEU A 327 ? 0.1777 0.4026 0.1678 -0.0470 -0.0593 0.0784 350 LEU A O 2251 C CB . LEU A 327 ? 0.1879 0.3575 0.2146 -0.0408 -0.0727 0.1024 350 LEU A CB 2252 C CG . LEU A 327 ? 0.2298 0.3925 0.2569 -0.0373 -0.0772 0.0998 350 LEU A CG 2253 C CD1 . LEU A 327 ? 0.1675 0.3393 0.1881 -0.0328 -0.0734 0.0852 350 LEU A CD1 2254 C CD2 . LEU A 327 ? 0.1685 0.3101 0.2141 -0.0296 -0.0805 0.1008 350 LEU A CD2 2255 N N . ALA A 328 ? 0.2288 0.4286 0.2458 -0.0322 -0.0591 0.0755 351 ALA A N 2256 C CA . ALA A 328 ? 0.1443 0.3486 0.1590 -0.0233 -0.0521 0.0586 351 ALA A CA 2257 C C . ALA A 328 ? 0.1481 0.3307 0.1740 -0.0123 -0.0528 0.0533 351 ALA A C 2258 O O . ALA A 328 ? 0.1606 0.3287 0.1981 -0.0109 -0.0569 0.0608 351 ALA A O 2259 C CB . ALA A 328 ? 0.1409 0.3587 0.1565 -0.0213 -0.0442 0.0512 351 ALA A CB 2260 N N . ASP A 329 ? 0.1313 0.3113 0.1533 -0.0049 -0.0480 0.0398 352 ASP A N 2261 C CA . ASP A 329 ? 0.2429 0.4022 0.2724 0.0040 -0.0474 0.0347 352 ASP A CA 2262 C C . ASP A 329 ? 0.1638 0.3141 0.1993 0.0129 -0.0433 0.0307 352 ASP A C 2263 O O . ASP A 329 ? 0.1369 0.2698 0.1795 0.0177 -0.0437 0.0316 352 ASP A O 2264 C CB . ASP A 329 ? 0.1311 0.2877 0.1524 0.0066 -0.0448 0.0231 352 ASP A CB 2265 C CG . ASP A 329 ? 0.2148 0.3828 0.2266 0.0103 -0.0381 0.0110 352 ASP A CG 2266 O OD1 . ASP A 329 ? 0.2182 0.4040 0.2281 0.0081 -0.0358 0.0120 352 ASP A OD1 2267 O OD2 . ASP A 329 ? 0.2150 0.3737 0.2225 0.0156 -0.0349 -0.0002 352 ASP A OD2 2268 N N . HIS A 330 ? 0.1631 0.3271 0.1965 0.0145 -0.0397 0.0269 353 HIS A N 2269 C CA . HIS A 330 ? 0.2106 0.3700 0.2489 0.0232 -0.0372 0.0224 353 HIS A CA 2270 C C . HIS A 330 ? 0.2275 0.4109 0.2653 0.0215 -0.0341 0.0190 353 HIS A C 2271 O O . HIS A 330 ? 0.1562 0.3571 0.1881 0.0142 -0.0325 0.0190 353 HIS A O 2272 C CB . HIS A 330 ? 0.1441 0.2884 0.1788 0.0349 -0.0340 0.0124 353 HIS A CB 2273 C CG . HIS A 330 ? 0.1807 0.3322 0.2071 0.0370 -0.0306 0.0027 353 HIS A CG 2274 N ND1 . HIS A 330 ? 0.1668 0.3375 0.1918 0.0403 -0.0269 -0.0051 353 HIS A ND1 2275 C CD2 . HIS A 330 ? 0.1648 0.3092 0.1849 0.0348 -0.0301 -0.0013 353 HIS A CD2 2276 C CE1 . HIS A 330 ? 0.1470 0.3203 0.1642 0.0410 -0.0238 -0.0142 353 HIS A CE1 2277 N NE2 . HIS A 330 ? 0.2402 0.3971 0.2537 0.0372 -0.0261 -0.0120 353 HIS A NE2 2278 N N . GLY A 331 ? 0.1834 0.3693 0.2272 0.0283 -0.0332 0.0152 354 GLY A N 2279 C CA . GLY A 331 ? 0.1841 0.3952 0.2314 0.0284 -0.0301 0.0100 354 GLY A CA 2280 C C . GLY A 331 ? 0.1323 0.3488 0.1781 0.0415 -0.0262 -0.0033 354 GLY A C 2281 O O . GLY A 331 ? 0.1829 0.3870 0.2213 0.0467 -0.0246 -0.0088 354 GLY A O 2282 N N . MET A 332 ? 0.1129 0.3475 0.1670 0.0470 -0.0251 -0.0090 355 MET A N 2283 C CA . MET A 332 ? 0.1193 0.3650 0.1759 0.0601 -0.0217 -0.0220 355 MET A CA 2284 C C . MET A 332 ? 0.1182 0.3714 0.1845 0.0668 -0.0239 -0.0245 355 MET A C 2285 O O . MET A 332 ? 0.1160 0.3791 0.1876 0.0565 -0.0247 -0.0191 355 MET A O 2286 C CB . MET A 332 ? 0.1258 0.3986 0.1808 0.0544 -0.0148 -0.0290 355 MET A CB 2287 C CG . MET A 332 ? 0.1359 0.4174 0.1934 0.0693 -0.0101 -0.0451 355 MET A CG 2288 S SD . MET A 332 ? 0.2150 0.4604 0.2627 0.0834 -0.0109 -0.0522 355 MET A SD 2289 C CE . MET A 332 ? 0.1537 0.3947 0.1854 0.0681 -0.0076 -0.0512 355 MET A CE 2290 N N . GLU A 333 ? 0.1355 0.3760 0.2006 0.0817 -0.0248 -0.0318 356 GLU A N 2291 C CA . GLU A 333 ? 0.1356 0.3724 0.2046 0.0866 -0.0282 -0.0325 356 GLU A CA 2292 C C . GLU A 333 ? 0.1886 0.4317 0.2608 0.1001 -0.0269 -0.0434 356 GLU A C 2293 O O . GLU A 333 ? 0.1565 0.3927 0.2246 0.1080 -0.0243 -0.0497 356 GLU A O 2294 C CB . GLU A 333 ? 0.1366 0.3410 0.1974 0.0896 -0.0334 -0.0255 356 GLU A CB 2295 C CG . GLU A 333 ? 0.1968 0.3973 0.2592 0.0955 -0.0379 -0.0263 356 GLU A CG 2296 C CD . GLU A 333 ? 0.2386 0.4620 0.3116 0.0858 -0.0388 -0.0255 356 GLU A CD 2297 O OE1 . GLU A 333 ? 0.2181 0.4334 0.2902 0.0780 -0.0418 -0.0193 356 GLU A OE1 2298 O OE2 . GLU A 333 ? 0.2406 0.4909 0.3235 0.0853 -0.0361 -0.0316 356 GLU A OE2 2299 N N . ALA A 334 ? 0.1517 0.4073 0.2323 0.1030 -0.0291 -0.0462 357 ALA A N 2300 C CA . ALA A 334 ? 0.1979 0.4617 0.2845 0.1158 -0.0286 -0.0564 357 ALA A CA 2301 C C . ALA A 334 ? 0.1938 0.4269 0.2730 0.1294 -0.0343 -0.0549 357 ALA A C 2302 O O . ALA A 334 ? 0.1803 0.3973 0.2543 0.1287 -0.0398 -0.0473 357 ALA A O 2303 C CB . ALA A 334 ? 0.2728 0.5655 0.3735 0.1136 -0.0291 -0.0602 357 ALA A CB 2304 N N . ILE A 335 ? 0.1987 0.4240 0.2774 0.1412 -0.0327 -0.0625 358 ILE A N 2305 C CA . ILE A 335 ? 0.2275 0.4236 0.2997 0.1540 -0.0379 -0.0606 358 ILE A CA 2306 C C . ILE A 335 ? 0.2926 0.5005 0.3767 0.1666 -0.0393 -0.0690 358 ILE A C 2307 O O . ILE A 335 ? 0.2353 0.4711 0.3315 0.1667 -0.0344 -0.0788 358 ILE A O 2308 C CB . ILE A 335 ? 0.2786 0.4447 0.3384 0.1571 -0.0355 -0.0602 358 ILE A CB 2309 C CG1 . ILE A 335 ? 0.2260 0.4055 0.2905 0.1581 -0.0282 -0.0720 358 ILE A CG1 2310 C CG2 . ILE A 335 ? 0.2088 0.3594 0.2576 0.1467 -0.0359 -0.0503 358 ILE A CG2 2311 C CD1 . ILE A 335 ? 0.2344 0.3855 0.2876 0.1602 -0.0253 -0.0737 358 ILE A CD1 2312 N N . SER A 336 ? 0.2530 0.4393 0.3334 0.1776 -0.0458 -0.0650 359 SER A N 2313 C CA . SER A 336 ? 0.3547 0.5495 0.4477 0.1915 -0.0478 -0.0725 359 SER A CA 2314 C C . SER A 336 ? 0.3376 0.4965 0.4216 0.2039 -0.0523 -0.0682 359 SER A C 2315 O O . SER A 336 ? 0.3001 0.4335 0.3695 0.2016 -0.0565 -0.0575 359 SER A O 2316 C CB . SER A 336 ? 0.2734 0.4953 0.3799 0.1926 -0.0531 -0.0726 359 SER A CB 2317 O OG . SER A 336 ? 0.3930 0.6157 0.5101 0.2085 -0.0575 -0.0769 359 SER A OG 2318 N N . CYS A 337 ? 0.3501 0.5070 0.4432 0.2166 -0.0508 -0.0767 360 CYS A N 2319 C CA . CYS A 337 ? 0.4728 0.5978 0.5608 0.2297 -0.0562 -0.0722 360 CYS A CA 2320 C C . CYS A 337 ? 0.4437 0.5701 0.5331 0.2358 -0.0665 -0.0635 360 CYS A C 2321 O O . CYS A 337 ? 0.3905 0.4878 0.4707 0.2438 -0.0723 -0.0554 360 CYS A O 2322 C CB . CYS A 337 ? 0.4887 0.6138 0.5893 0.2426 -0.0522 -0.0842 360 CYS A CB 2323 S SG . CYS A 337 ? 0.5754 0.6946 0.6711 0.2355 -0.0399 -0.0955 360 CYS A SG 2324 N N . ASN A 338 ? 0.3407 0.4999 0.4406 0.2310 -0.0690 -0.0646 361 ASN A N 2325 C CA . ASN A 338 ? 0.3474 0.5108 0.4476 0.2339 -0.0791 -0.0567 361 ASN A CA 2326 C C . ASN A 338 ? 0.3791 0.5274 0.4604 0.2218 -0.0814 -0.0455 361 ASN A C 2327 O O . ASN A 338 ? 0.3728 0.5236 0.4517 0.2229 -0.0898 -0.0390 361 ASN A O 2328 C CB . ASN A 338 ? 0.3382 0.5438 0.4585 0.2326 -0.0803 -0.0636 361 ASN A CB 2329 C CG . ASN A 338 ? 0.4647 0.6874 0.6058 0.2474 -0.0809 -0.0732 361 ASN A CG 2330 O OD1 . ASN A 338 ? 0.5602 0.7622 0.7016 0.2621 -0.0851 -0.0716 361 ASN A OD1 2331 N ND2 . ASN A 338 ? 0.4874 0.7484 0.6469 0.2437 -0.0762 -0.0834 361 ASN A ND2 2332 N N . ARG A 339 ? 0.3431 0.4788 0.4124 0.2101 -0.0745 -0.0440 362 ARG A N 2333 C CA . ARG A 339 ? 0.3028 0.4266 0.3565 0.1982 -0.0755 -0.0347 362 ARG A CA 2334 C C . ARG A 339 ? 0.3663 0.4532 0.4014 0.1966 -0.0724 -0.0286 362 ARG A C 2335 O O . ARG A 339 ? 0.3232 0.4050 0.3516 0.1855 -0.0664 -0.0278 362 ARG A O 2336 C CB . ARG A 339 ? 0.2734 0.4213 0.3326 0.1835 -0.0703 -0.0376 362 ARG A CB 2337 C CG . ARG A 339 ? 0.3106 0.4947 0.3871 0.1817 -0.0733 -0.0423 362 ARG A CG 2338 C CD . ARG A 339 ? 0.2958 0.4980 0.3750 0.1651 -0.0687 -0.0423 362 ARG A CD 2339 N NE . ARG A 339 ? 0.2503 0.4576 0.3310 0.1584 -0.0598 -0.0466 362 ARG A NE 2340 C CZ . ARG A 339 ? 0.2668 0.5042 0.3622 0.1557 -0.0549 -0.0548 362 ARG A CZ 2341 N NH1 . ARG A 339 ? 0.3190 0.5824 0.4297 0.1594 -0.0579 -0.0598 362 ARG A NH1 2342 N NH2 . ARG A 339 ? 0.2179 0.4615 0.3130 0.1491 -0.0471 -0.0583 362 ARG A NH2 2343 N N . LEU A 340 ? 0.3374 0.3988 0.3650 0.2074 -0.0768 -0.0239 363 LEU A N 2344 C CA . LEU A 340 ? 0.3889 0.4135 0.3997 0.2066 -0.0738 -0.0181 363 LEU A CA 2345 C C . LEU A 340 ? 0.4228 0.4248 0.4168 0.2084 -0.0806 -0.0060 363 LEU A C 2346 O O . LEU A 340 ? 0.3899 0.3952 0.3869 0.2184 -0.0889 -0.0030 363 LEU A O 2347 C CB . LEU A 340 ? 0.3712 0.3809 0.3875 0.2174 -0.0712 -0.0239 363 LEU A CB 2348 C CG . LEU A 340 ? 0.4006 0.4342 0.4332 0.2173 -0.0645 -0.0374 363 LEU A CG 2349 C CD1 . LEU A 340 ? 0.3830 0.4016 0.4222 0.2295 -0.0621 -0.0447 363 LEU A CD1 2350 C CD2 . LEU A 340 ? 0.3300 0.3666 0.3569 0.2030 -0.0571 -0.0389 363 LEU A CD2 2351 N N . GLU A 341 ? 0.4651 0.4455 0.4415 0.1987 -0.0771 0.0008 364 GLU A N 2352 C CA . GLU A 341 ? 0.4349 0.3884 0.3914 0.1997 -0.0815 0.0124 364 GLU A CA 2353 C C . GLU A 341 ? 0.4132 0.3319 0.3605 0.2028 -0.0776 0.0154 364 GLU A C 2354 O O . GLU A 341 ? 0.4087 0.3209 0.3575 0.1966 -0.0696 0.0105 364 GLU A O 2355 C CB . GLU A 341 ? 0.4008 0.3532 0.3439 0.1867 -0.0791 0.0175 364 GLU A CB 2356 C CG . GLU A 341 ? 0.3584 0.3398 0.3076 0.1835 -0.0843 0.0160 364 GLU A CG 2357 C CD . GLU A 341 ? 0.4821 0.4580 0.4198 0.1896 -0.0941 0.0241 364 GLU A CD 2358 O OE1 . GLU A 341 ? 0.4243 0.4225 0.3661 0.1876 -0.0996 0.0230 364 GLU A OE1 2359 O OE2 . GLU A 341 ? 0.4361 0.3849 0.3601 0.1960 -0.0967 0.0319 364 GLU A OE2 2360 N N . TYR A 342 ? 0.4486 0.3450 0.3870 0.2121 -0.0837 0.0233 365 TYR A N 2361 C CA . TYR A 342 ? 0.4939 0.3550 0.4248 0.2159 -0.0809 0.0266 365 TYR A CA 2362 C C . TYR A 342 ? 0.5186 0.3485 0.4242 0.2097 -0.0810 0.0400 365 TYR A C 2363 O O . TYR A 342 ? 0.5427 0.3716 0.4372 0.2125 -0.0886 0.0491 365 TYR A O 2364 C CB . TYR A 342 ? 0.5209 0.3772 0.4627 0.2326 -0.0875 0.0260 365 TYR A CB 2365 C CG . TYR A 342 ? 0.4992 0.3878 0.4661 0.2402 -0.0877 0.0130 365 TYR A CG 2366 C CD1 . TYR A 342 ? 0.4799 0.3719 0.4583 0.2389 -0.0793 0.0011 365 TYR A CD1 2367 C CD2 . TYR A 342 ? 0.5366 0.4535 0.5155 0.2481 -0.0961 0.0120 365 TYR A CD2 2368 C CE1 . TYR A 342 ? 0.4677 0.3901 0.4677 0.2453 -0.0784 -0.0112 365 TYR A CE1 2369 C CE2 . TYR A 342 ? 0.5176 0.4655 0.5200 0.2545 -0.0953 -0.0004 365 TYR A CE2 2370 C CZ . TYR A 342 ? 0.4887 0.4390 0.5009 0.2529 -0.0860 -0.0119 365 TYR A CZ 2371 O OH . TYR A 342 ? 0.4878 0.4692 0.5218 0.2583 -0.0839 -0.0246 365 TYR A OH 2372 N N . MET A 343 ? 0.5067 0.3111 0.4028 0.2012 -0.0726 0.0411 366 MET A N 2373 C CA . MET A 343 ? 0.5327 0.3052 0.4043 0.1947 -0.0713 0.0537 366 MET A CA 2374 C C . MET A 343 ? 0.6274 0.3765 0.4905 0.2057 -0.0794 0.0641 366 MET A C 2375 O O . MET A 343 ? 0.6019 0.3345 0.4436 0.2027 -0.0824 0.0767 366 MET A O 2376 C CB . MET A 343 ? 0.5316 0.2813 0.3985 0.1840 -0.0606 0.0516 366 MET A CB 2377 C CG . MET A 343 ? 0.5345 0.3019 0.4047 0.1716 -0.0530 0.0454 366 MET A CG 2378 S SD . MET A 343 ? 0.5520 0.3391 0.4109 0.1647 -0.0551 0.0511 366 MET A SD 2379 C CE . MET A 343 ? 0.5227 0.3534 0.4029 0.1724 -0.0625 0.0423 366 MET A CE 2380 N N . THR A 344 ? 0.5896 0.3378 0.4693 0.2190 -0.0831 0.0591 367 THR A N 2381 C CA . THR A 344 ? 0.6356 0.3613 0.5100 0.2312 -0.0916 0.0693 367 THR A CA 2382 C C . THR A 344 ? 0.6441 0.3851 0.5112 0.2367 -0.1028 0.0783 367 THR A C 2383 O O . THR A 344 ? 0.7204 0.4398 0.5748 0.2432 -0.1104 0.0913 367 THR A O 2384 C CB . THR A 344 ? 0.6484 0.3751 0.5458 0.2463 -0.0937 0.0605 367 THR A CB 2385 O OG1 . THR A 344 ? 0.6158 0.3838 0.5351 0.2516 -0.0954 0.0481 367 THR A OG1 2386 C CG2 . THR A 344 ? 0.6528 0.3566 0.5543 0.2418 -0.0836 0.0531 367 THR A CG2 2387 N N . ASP A 345 ? 0.6089 0.3867 0.4843 0.2340 -0.1046 0.0717 368 ASP A N 2388 C CA . ASP A 345 ? 0.6418 0.4349 0.5099 0.2375 -0.1154 0.0793 368 ASP A CA 2389 C C . ASP A 345 ? 0.6362 0.4146 0.4753 0.2255 -0.1142 0.0906 368 ASP A C 2390 O O . ASP A 345 ? 0.6422 0.4275 0.4702 0.2279 -0.1235 0.0988 368 ASP A O 2395 N N . TYR A 346 ? 0.6189 0.3782 0.4455 0.2126 -0.1029 0.0910 369 TYR A N 2396 C CA . TYR A 346 ? 0.6308 0.3783 0.4307 0.2001 -0.0994 0.1000 369 TYR A CA 2397 C C . TYR A 346 ? 0.7028 0.4086 0.4806 0.1953 -0.0949 0.1121 369 TYR A C 2398 O O . TYR A 346 ? 0.6952 0.3881 0.4471 0.1873 -0.0942 0.1229 369 TYR A O 2399 C CB . TYR A 346 ? 0.5825 0.3462 0.3861 0.1871 -0.0890 0.0903 369 TYR A CB 2400 C CG . TYR A 346 ? 0.5670 0.3709 0.3912 0.1901 -0.0932 0.0795 369 TYR A CG 2401 C CD1 . TYR A 346 ? 0.5212 0.3441 0.3718 0.1950 -0.0917 0.0675 369 TYR A CD1 2402 C CD2 . TYR A 346 ? 0.5832 0.4059 0.3998 0.1878 -0.0990 0.0814 369 TYR A CD2 2403 C CE1 . TYR A 346 ? 0.4920 0.3514 0.3611 0.1967 -0.0951 0.0585 369 TYR A CE1 2404 C CE2 . TYR A 346 ? 0.6494 0.5080 0.4856 0.1894 -0.1028 0.0717 369 TYR A CE2 2405 C CZ . TYR A 346 ? 0.5718 0.4488 0.4344 0.1935 -0.1006 0.0606 369 TYR A CZ 2406 O OH . TYR A 346 ? 0.4968 0.4094 0.3781 0.1936 -0.1039 0.0518 369 TYR A OH 2407 N N . PHE A 347 ? 0.6778 0.3627 0.4649 0.1989 -0.0913 0.1101 370 PHE A N 2408 C CA . PHE A 347 ? 0.7156 0.3596 0.4845 0.1928 -0.0860 0.1205 370 PHE A CA 2409 C C . PHE A 347 ? 0.7904 0.4145 0.5665 0.2075 -0.0939 0.1258 370 PHE A C 2410 O O . PHE A 347 ? 0.7821 0.4166 0.5830 0.2179 -0.0955 0.1149 370 PHE A O 2411 C CB . PHE A 347 ? 0.6958 0.3296 0.4697 0.1807 -0.0724 0.1120 370 PHE A CB 2412 C CG . PHE A 347 ? 0.6606 0.3108 0.4285 0.1665 -0.0638 0.1075 370 PHE A CG 2413 C CD1 . PHE A 347 ? 0.6136 0.2977 0.4014 0.1670 -0.0626 0.0942 370 PHE A CD1 2414 C CD2 . PHE A 347 ? 0.6769 0.3083 0.4201 0.1526 -0.0563 0.1167 370 PHE A CD2 2415 C CE1 . PHE A 347 ? 0.6299 0.3276 0.4138 0.1550 -0.0550 0.0905 370 PHE A CE1 2416 C CE2 . PHE A 347 ? 0.6491 0.2952 0.3884 0.1405 -0.0478 0.1120 370 PHE A CE2 2417 C CZ . PHE A 347 ? 0.6234 0.3019 0.3836 0.1424 -0.0476 0.0991 370 PHE A CZ 2418 N N . ASN A 348 ? 0.8031 0.3991 0.5576 0.2085 -0.0988 0.1425 371 ASN A N 2419 C CA . ASN A 348 ? 0.8870 0.4559 0.6474 0.2209 -0.1045 0.1488 371 ASN A CA 2420 C C . ASN A 348 ? 0.9940 0.5365 0.7613 0.2144 -0.0933 0.1425 371 ASN A C 2421 O O . ASN A 348 ? 0.9773 0.5112 0.7641 0.2257 -0.0950 0.1362 371 ASN A O 2422 C CB . ASN A 348 ? 0.9807 0.5234 0.7144 0.2220 -0.1120 0.1700 371 ASN A CB 2423 C CG . ASN A 348 ? 1.0619 0.6303 0.7928 0.2323 -0.1261 0.1760 371 ASN A CG 2424 O OD1 . ASN A 348 ? 1.1799 0.7636 0.9316 0.2493 -0.1364 0.1725 371 ASN A OD1 2425 N ND2 . ASN A 348 ? 1.1116 0.6852 0.8169 0.2217 -0.1263 0.1848 371 ASN A ND2 2426 N N . THR A 349 ? 0.9330 0.4645 0.6858 0.1960 -0.0816 0.1427 372 THR A N 2427 C CA . THR A 349 ? 0.9721 0.4804 0.7301 0.1864 -0.0704 0.1364 372 THR A CA 2428 C C . THR A 349 ? 0.9083 0.4426 0.6760 0.1751 -0.0607 0.1217 372 THR A C 2429 O O . THR A 349 ? 0.9797 0.5309 0.7355 0.1659 -0.0578 0.1235 372 THR A O 2430 C CB . THR A 349 ? 1.0224 0.4911 0.7541 0.1731 -0.0649 0.1520 372 THR A CB 2431 O OG1 . THR A 349 ? 1.0697 0.5151 0.7911 0.1842 -0.0752 0.1678 372 THR A OG1 2432 C CG2 . THR A 349 ? 1.0360 0.4800 0.7744 0.1626 -0.0541 0.1453 372 THR A CG2 2433 N N . VAL A 350 ? 0.8707 0.4086 0.6601 0.1765 -0.0559 0.1070 373 VAL A N 2434 C CA . VAL A 350 ? 0.9091 0.4722 0.7094 0.1670 -0.0478 0.0932 373 VAL A CA 2435 C C . VAL A 350 ? 0.9533 0.4927 0.7521 0.1518 -0.0362 0.0893 373 VAL A C 2436 O O . VAL A 350 ? 1.0457 0.5864 0.8624 0.1525 -0.0327 0.0761 373 VAL A O 2437 C CB . VAL A 350 ? 0.8396 0.4356 0.6666 0.1797 -0.0519 0.0781 373 VAL A CB 2438 C CG1 . VAL A 350 ? 0.8071 0.4256 0.6363 0.1933 -0.0633 0.0824 373 VAL A CG1 2439 C CG2 . VAL A 350 ? 0.8703 0.4518 0.7150 0.1884 -0.0513 0.0687 373 VAL A CG2 2440 N N . ASP A 351 ? 0.9408 0.4601 0.7184 0.1369 -0.0298 0.1000 374 ASP A N 2441 C CA . ASP A 351 ? 0.9278 0.4240 0.7040 0.1207 -0.0188 0.0971 374 ASP A CA 2442 C C . ASP A 351 ? 0.8374 0.3569 0.6199 0.1078 -0.0099 0.0872 374 ASP A C 2443 O O . ASP A 351 ? 0.8968 0.4076 0.6674 0.0908 -0.0005 0.0916 374 ASP A O 2444 C CB . ASP A 351 ? 0.9722 0.4348 0.7236 0.1096 -0.0151 0.1135 374 ASP A CB 2445 C CG . ASP A 351 ? 1.0061 0.4392 0.7586 0.0945 -0.0055 0.1110 374 ASP A CG 2446 O OD1 . ASP A 351 ? 0.9437 0.3841 0.7149 0.0909 -0.0011 0.0960 374 ASP A OD1 2447 O OD2 . ASP A 351 ? 1.0666 0.4693 0.8009 0.0856 -0.0025 0.1244 374 ASP A OD2 2448 N N . PHE A 352 ? 0.7060 0.2562 0.5079 0.1151 -0.0123 0.0741 375 PHE A N 2449 C CA . PHE A 352 ? 0.6795 0.2505 0.4877 0.1033 -0.0046 0.0661 375 PHE A CA 2450 C C . PHE A 352 ? 0.6531 0.2462 0.4846 0.1095 -0.0060 0.0499 375 PHE A C 2451 O O . PHE A 352 ? 0.7421 0.3407 0.5850 0.1239 -0.0127 0.0444 375 PHE A O 2452 C CB . PHE A 352 ? 0.6210 0.2150 0.4198 0.1016 -0.0049 0.0718 375 PHE A CB 2453 C CG . PHE A 352 ? 0.6166 0.2360 0.4207 0.1178 -0.0158 0.0715 375 PHE A CG 2454 C CD1 . PHE A 352 ? 0.5688 0.2187 0.3937 0.1254 -0.0192 0.0595 375 PHE A CD1 2455 C CD2 . PHE A 352 ? 0.6657 0.2798 0.4534 0.1239 -0.0225 0.0834 375 PHE A CD2 2456 C CE1 . PHE A 352 ? 0.5665 0.2424 0.3978 0.1381 -0.0284 0.0587 375 PHE A CE1 2457 C CE2 . PHE A 352 ? 0.6495 0.2891 0.4434 0.1374 -0.0328 0.0824 375 PHE A CE2 2458 C CZ . PHE A 352 ? 0.6346 0.3057 0.4512 0.1439 -0.0354 0.0698 375 PHE A CZ 2459 N N . PHE A 353 ? 0.6251 0.2307 0.4634 0.0980 0.0011 0.0424 376 PHE A N 2460 C CA . PHE A 353 ? 0.6196 0.2481 0.4772 0.1017 0.0005 0.0276 376 PHE A CA 2461 C C . PHE A 353 ? 0.5461 0.2106 0.4093 0.1067 -0.0030 0.0269 376 PHE A C 2462 O O . PHE A 353 ? 0.5285 0.1996 0.3837 0.0992 0.0001 0.0336 376 PHE A O 2463 C CB . PHE A 353 ? 0.6166 0.2376 0.4791 0.0857 0.0091 0.0193 376 PHE A CB 2464 C CG . PHE A 353 ? 0.6377 0.2812 0.5170 0.0884 0.0085 0.0038 376 PHE A CG 2465 C CD1 . PHE A 353 ? 0.5619 0.2352 0.4475 0.0876 0.0085 0.0013 376 PHE A CD1 2466 C CD2 . PHE A 353 ? 0.6347 0.2690 0.5225 0.0922 0.0080 -0.0087 376 PHE A CD2 2467 C CE1 . PHE A 353 ? 0.5359 0.2295 0.4340 0.0900 0.0075 -0.0119 376 PHE A CE1 2468 C CE2 . PHE A 353 ? 0.5797 0.2358 0.4796 0.0942 0.0079 -0.0235 376 PHE A CE2 2469 C CZ . PHE A 353 ? 0.5114 0.1970 0.4154 0.0931 0.0073 -0.0246 376 PHE A CZ 2470 N N . MET A 354 ? 0.5249 0.2132 0.4026 0.1187 -0.0086 0.0180 377 MET A N 2471 C CA . MET A 354 ? 0.5345 0.2583 0.4196 0.1234 -0.0125 0.0168 377 MET A CA 2472 C C . MET A 354 ? 0.5060 0.2525 0.4073 0.1232 -0.0110 0.0035 377 MET A C 2473 O O . MET A 354 ? 0.4301 0.1770 0.3402 0.1298 -0.0119 -0.0064 377 MET A O 2474 C CB . MET A 354 ? 0.5641 0.3007 0.4508 0.1376 -0.0214 0.0202 377 MET A CB 2475 C CG . MET A 354 ? 0.5306 0.3037 0.4245 0.1402 -0.0255 0.0196 377 MET A CG 2476 S SD . MET A 354 ? 0.4813 0.2694 0.3792 0.1557 -0.0360 0.0217 377 MET A SD 2477 C CE . MET A 354 ? 0.3911 0.2190 0.2968 0.1530 -0.0387 0.0202 377 MET A CE 2478 N N . TYR A 355 ? 0.3932 0.1579 0.2978 0.1158 -0.0086 0.0030 378 TYR A N 2479 C CA . TYR A 355 ? 0.4147 0.2097 0.3338 0.1182 -0.0100 -0.0070 378 TYR A CA 2480 C C . TYR A 355 ? 0.3895 0.2136 0.3157 0.1283 -0.0168 -0.0056 378 TYR A C 2481 O O . TYR A 355 ? 0.4062 0.2409 0.3293 0.1266 -0.0190 0.0023 378 TYR A O 2482 C CB . TYR A 355 ? 0.3396 0.1472 0.2630 0.1050 -0.0057 -0.0066 378 TYR A CB 2483 C CG . TYR A 355 ? 0.4650 0.2511 0.3850 0.0896 0.0017 -0.0071 378 TYR A CG 2484 C CD1 . TYR A 355 ? 0.4022 0.1643 0.3096 0.0826 0.0065 0.0028 378 TYR A CD1 2485 C CD2 . TYR A 355 ? 0.5346 0.3261 0.4640 0.0811 0.0041 -0.0181 378 TYR A CD2 2486 C CE1 . TYR A 355 ? 0.4459 0.1905 0.3520 0.0675 0.0139 0.0018 378 TYR A CE1 2487 C CE2 . TYR A 355 ? 0.5713 0.3449 0.4993 0.0661 0.0103 -0.0194 378 TYR A CE2 2488 C CZ . TYR A 355 ? 0.4630 0.2134 0.3804 0.0594 0.0155 -0.0094 378 TYR A CZ 2489 O OH . TYR A 355 ? 0.4176 0.1536 0.3361 0.0435 0.0222 -0.0116 378 TYR A OH 2490 N N . GLU A 356 ? 0.3922 0.2286 0.3278 0.1380 -0.0198 -0.0138 379 GLU A N 2491 C CA . GLU A 356 ? 0.3859 0.2463 0.3284 0.1471 -0.0260 -0.0127 379 GLU A CA 2492 C C . GLU A 356 ? 0.4106 0.3087 0.3657 0.1454 -0.0269 -0.0178 379 GLU A C 2493 O O . GLU A 356 ? 0.4046 0.3111 0.3640 0.1397 -0.0234 -0.0234 379 GLU A O 2494 C CB . GLU A 356 ? 0.3782 0.2335 0.3263 0.1587 -0.0280 -0.0192 379 GLU A CB 2495 C CG . GLU A 356 ? 0.4095 0.2267 0.3471 0.1608 -0.0274 -0.0145 379 GLU A CG 2496 C CD . GLU A 356 ? 0.5615 0.3737 0.5081 0.1732 -0.0288 -0.0224 379 GLU A CD 2497 O OE1 . GLU A 356 ? 0.4591 0.2659 0.4054 0.1831 -0.0345 -0.0169 379 GLU A OE1 2498 O OE2 . GLU A 356 ? 0.5214 0.3367 0.4757 0.1730 -0.0242 -0.0351 379 GLU A OE2 2499 N N . GLY A 357 ? 0.3724 0.2934 0.3336 0.1500 -0.0320 -0.0159 380 GLY A N 2500 C CA . GLY A 357 ? 0.3081 0.2655 0.2828 0.1487 -0.0328 -0.0215 380 GLY A CA 2501 C C . GLY A 357 ? 0.3362 0.3107 0.3119 0.1417 -0.0353 -0.0146 380 GLY A C 2502 O O . GLY A 357 ? 0.2616 0.2299 0.2306 0.1426 -0.0390 -0.0077 380 GLY A O 2503 N N . ALA A 358 ? 0.2536 0.2490 0.2375 0.1344 -0.0334 -0.0167 381 ALA A N 2504 C CA . ALA A 358 ? 0.2346 0.2476 0.2226 0.1267 -0.0353 -0.0116 381 ALA A CA 2505 C C . ALA A 358 ? 0.2964 0.2920 0.2762 0.1193 -0.0336 -0.0040 381 ALA A C 2506 O O . ALA A 358 ? 0.2581 0.2617 0.2387 0.1142 -0.0354 0.0003 381 ALA A O 2507 C CB . ALA A 358 ? 0.2331 0.2766 0.2345 0.1214 -0.0341 -0.0161 381 ALA A CB 2508 N N . ALA A 359 ? 0.2942 0.2667 0.2668 0.1183 -0.0297 -0.0032 382 ALA A N 2509 C CA . ALA A 359 ? 0.2386 0.1947 0.2042 0.1113 -0.0268 0.0034 382 ALA A CA 2510 C C . ALA A 359 ? 0.2554 0.1769 0.2061 0.1131 -0.0232 0.0058 382 ALA A C 2511 O O . ALA A 359 ? 0.3590 0.2688 0.3097 0.1037 -0.0175 0.0048 382 ALA A O 2512 C CB . ALA A 359 ? 0.2873 0.2571 0.2644 0.0976 -0.0232 0.0022 382 ALA A CB 2513 N N . PRO A 360 ? 0.2981 0.2068 0.2382 0.1187 -0.0257 0.0092 383 PRO A N 2514 C CA . PRO A 360 ? 0.3515 0.2269 0.2778 0.1198 -0.0228 0.0121 383 PRO A CA 2515 C C . PRO A 360 ? 0.3416 0.1947 0.2555 0.1111 -0.0166 0.0188 383 PRO A C 2516 O O . PRO A 360 ? 0.3665 0.2273 0.2787 0.1070 -0.0157 0.0227 383 PRO A O 2517 C CB . PRO A 360 ? 0.3949 0.2670 0.3138 0.1283 -0.0287 0.0158 383 PRO A CB 2518 C CG . PRO A 360 ? 0.3081 0.2130 0.2408 0.1325 -0.0340 0.0111 383 PRO A CG 2519 C CD . PRO A 360 ? 0.2995 0.2231 0.2402 0.1241 -0.0320 0.0104 383 PRO A CD 2520 N N . ARG A 361 ? 0.3267 0.1512 0.2323 0.1078 -0.0115 0.0193 384 ARG A N 2521 C CA . ARG A 361 ? 0.3793 0.1769 0.2698 0.0988 -0.0043 0.0265 384 ARG A CA 2522 C C . ARG A 361 ? 0.4480 0.2163 0.3258 0.1003 -0.0039 0.0299 384 ARG A C 2523 O O . ARG A 361 ? 0.4410 0.2068 0.3249 0.1071 -0.0073 0.0243 384 ARG A O 2524 C CB . ARG A 361 ? 0.3311 0.1351 0.2341 0.0823 0.0041 0.0220 384 ARG A CB 2525 C CG . ARG A 361 ? 0.3586 0.1975 0.2799 0.0767 0.0034 0.0188 384 ARG A CG 2526 C CD . ARG A 361 ? 0.4032 0.2488 0.3380 0.0608 0.0108 0.0157 384 ARG A CD 2527 N NE . ARG A 361 ? 0.3394 0.1755 0.2781 0.0562 0.0124 0.0097 384 ARG A NE 2528 C CZ . ARG A 361 ? 0.3605 0.2108 0.3085 0.0599 0.0075 0.0023 384 ARG A CZ 2529 N NH1 . ARG A 361 ? 0.3710 0.2461 0.3264 0.0671 0.0013 0.0013 384 ARG A NH1 2530 N NH2 . ARG A 361 ? 0.3618 0.2024 0.3116 0.0549 0.0092 -0.0045 384 ARG A NH2 2531 N N . ILE A 362 ? 0.4110 0.1565 0.2709 0.0936 0.0010 0.0389 385 ILE A N 2532 C CA . ILE A 362 ? 0.4730 0.1888 0.3193 0.0935 0.0015 0.0443 385 ILE A CA 2533 C C . ILE A 362 ? 0.5213 0.2127 0.3574 0.0774 0.0129 0.0484 385 ILE A C 2534 O O . ILE A 362 ? 0.4599 0.1551 0.2907 0.0685 0.0198 0.0519 385 ILE A O 2535 C CB . ILE A 362 ? 0.4718 0.1852 0.3034 0.1022 -0.0057 0.0531 385 ILE A CB 2536 C CG1 . ILE A 362 ? 0.4851 0.2224 0.3302 0.1170 -0.0165 0.0478 385 ILE A CG1 2537 C CG2 . ILE A 362 ? 0.5022 0.1815 0.3167 0.1001 -0.0044 0.0616 385 ILE A CG2 2538 C CD1 . ILE A 362 ? 0.4956 0.2336 0.3288 0.1260 -0.0250 0.0557 385 ILE A CD1 2539 N N . ARG A 363 ? 0.4828 0.1503 0.3177 0.0728 0.0158 0.0471 386 ARG A N 2540 C CA . ARG A 363 ? 0.5254 0.1718 0.3537 0.0553 0.0270 0.0497 386 ARG A CA 2541 C C . ARG A 363 ? 0.5699 0.1849 0.3878 0.0543 0.0266 0.0543 386 ARG A C 2542 O O . ARG A 363 ? 0.6391 0.2486 0.4587 0.0677 0.0179 0.0534 386 ARG A O 2543 C CB . ARG A 363 ? 0.4800 0.1352 0.3265 0.0448 0.0332 0.0387 386 ARG A CB 2544 C CG . ARG A 363 ? 0.4885 0.1385 0.3466 0.0489 0.0291 0.0278 386 ARG A CG 2545 C CD . ARG A 363 ? 0.5346 0.1866 0.4062 0.0335 0.0364 0.0174 386 ARG A CD 2546 N NE . ARG A 363 ? 0.5249 0.1796 0.4073 0.0390 0.0317 0.0042 386 ARG A NE 2547 C CZ . ARG A 363 ? 0.5766 0.2099 0.4571 0.0404 0.0301 -0.0002 386 ARG A CZ 2548 N NH1 . ARG A 363 ? 0.5595 0.1663 0.4281 0.0374 0.0318 0.0089 386 ARG A NH1 2549 N NH2 . ARG A 363 ? 0.6007 0.2382 0.4905 0.0451 0.0269 -0.0142 386 ARG A NH2 2550 N N . SER A 364 ? 0.5669 0.1618 0.3757 0.0378 0.0365 0.0590 387 SER A N 2551 C CA . SER A 364 ? 0.6679 0.2312 0.4686 0.0346 0.0368 0.0631 387 SER A CA 2552 C C . SER A 364 ? 0.6743 0.2324 0.4916 0.0395 0.0327 0.0510 387 SER A C 2553 O O . SER A 364 ? 0.5838 0.1586 0.4176 0.0359 0.0344 0.0389 387 SER A O 2554 C CB . SER A 364 ? 0.6732 0.2210 0.4660 0.0130 0.0495 0.0677 387 SER A CB 2555 O OG . SER A 364 ? 0.7265 0.2425 0.5126 0.0092 0.0496 0.0715 387 SER A OG 2556 N N . LYS A 365 ? 0.6640 0.1991 0.4767 0.0483 0.0269 0.0541 388 LYS A N 2557 C CA . LYS A 365 ? 0.7516 0.2758 0.5781 0.0512 0.0247 0.0423 388 LYS A CA 2558 C C . LYS A 365 ? 0.7720 0.2745 0.5991 0.0316 0.0335 0.0393 388 LYS A C 2559 O O . LYS A 365 ? 0.7820 0.2827 0.6229 0.0286 0.0339 0.0255 388 LYS A O 2560 C CB . LYS A 365 ? 0.8742 0.3807 0.6984 0.0683 0.0158 0.0462 388 LYS A CB 2561 C CG . LYS A 365 ? 0.8978 0.4271 0.7378 0.0868 0.0078 0.0356 388 LYS A CG 2562 C CD . LYS A 365 ? 0.9884 0.4996 0.8317 0.1029 0.0005 0.0363 388 LYS A CD 2563 C CE . LYS A 365 ? 0.9846 0.5140 0.8488 0.1150 -0.0024 0.0191 388 LYS A CE 2564 N NZ . LYS A 365 ? 0.9364 0.5076 0.8084 0.1220 -0.0054 0.0144 388 LYS A NZ 2565 N N . ASN A 366 ? 0.7276 0.2158 0.5404 0.0174 0.0408 0.0508 389 ASN A N 2566 C CA . ASN A 366 ? 0.7204 0.1903 0.5343 -0.0031 0.0498 0.0489 389 ASN A CA 2567 C C . ASN A 366 ? 0.6898 0.1845 0.5116 -0.0205 0.0595 0.0444 389 ASN A C 2568 O O . ASN A 366 ? 0.7217 0.2194 0.5332 -0.0310 0.0673 0.0538 389 ASN A O 2569 C CB . ASN A 366 ? 0.7692 0.2073 0.5634 -0.0085 0.0522 0.0646 389 ASN A CB 2570 C CG . ASN A 366 ? 0.9175 0.3361 0.7135 -0.0301 0.0613 0.0628 389 ASN A CG 2571 O OD1 . ASN A 366 ? 0.9428 0.3671 0.7560 -0.0385 0.0634 0.0485 389 ASN A OD1 2572 N ND2 . ASN A 366 ? 0.9303 0.3265 0.7085 -0.0399 0.0666 0.0772 389 ASN A ND2 2573 N N . VAL A 367 ? 0.7602 0.2739 0.6011 -0.0235 0.0593 0.0293 390 VAL A N 2574 C CA . VAL A 367 ? 0.6846 0.2243 0.5381 -0.0395 0.0676 0.0237 390 VAL A CA 2575 C C . VAL A 367 ? 0.7410 0.2779 0.6091 -0.0574 0.0719 0.0116 390 VAL A C 2576 O O . VAL A 367 ? 0.6516 0.1773 0.5251 -0.0532 0.0663 0.0016 390 VAL A O 2577 C CB . VAL A 367 ? 0.6383 0.2099 0.5028 -0.0288 0.0632 0.0172 390 VAL A CB 2578 C CG1 . VAL A 367 ? 0.5751 0.1527 0.4261 -0.0128 0.0588 0.0286 390 VAL A CG1 2579 C CG2 . VAL A 367 ? 0.6396 0.2152 0.5152 -0.0189 0.0552 0.0032 390 VAL A CG2 2580 N N . PRO A 368 ? 0.7910 0.3418 0.6678 -0.0775 0.0818 0.0111 391 PRO A N 2581 C CA . PRO A 368 ? 0.6802 0.2526 0.5569 -0.0829 0.0894 0.0184 391 PRO A CA 2582 C C . PRO A 368 ? 0.6704 0.2248 0.5267 -0.0882 0.0966 0.0334 391 PRO A C 2583 O O . PRO A 368 ? 0.6383 0.2096 0.4919 -0.0917 0.1035 0.0389 391 PRO A O 2584 C CB . PRO A 368 ? 0.6370 0.2363 0.5387 -0.1025 0.0961 0.0073 391 PRO A CB 2585 C CG . PRO A 368 ? 0.6842 0.2627 0.5879 -0.1141 0.0963 0.0016 391 PRO A CG 2586 C CD . PRO A 368 ? 0.6991 0.2512 0.5912 -0.0966 0.0857 0.0000 391 PRO A CD 2587 N N . LYS A 369 ? 0.7809 0.3016 0.6228 -0.0891 0.0953 0.0396 392 LYS A N 2588 C CA . LYS A 369 ? 0.7472 0.2515 0.5712 -0.0997 0.1038 0.0530 392 LYS A CA 2589 C C . LYS A 369 ? 0.7220 0.2301 0.5263 -0.0890 0.1036 0.0653 392 LYS A C 2590 O O . LYS A 369 ? 0.7261 0.2437 0.5237 -0.1004 0.1141 0.0711 392 LYS A O 2591 C CB . LYS A 369 ? 0.9205 0.3852 0.7323 -0.1007 0.1009 0.0587 392 LYS A CB 2592 C CG . LYS A 369 ? 1.0852 0.5437 0.9115 -0.1209 0.1067 0.0499 392 LYS A CG 2593 C CD . LYS A 369 ? 1.0874 0.5298 0.9234 -0.1133 0.0970 0.0386 392 LYS A CD 2594 C CE . LYS A 369 ? 1.0559 0.5069 0.9124 -0.1322 0.1010 0.0241 392 LYS A CE 2595 N NZ . LYS A 369 ? 1.0231 0.4856 0.8950 -0.1229 0.0919 0.0076 392 LYS A NZ 2596 N N . ASP A 370 ? 0.7153 0.2180 0.5107 -0.0673 0.0919 0.0686 393 ASP A N 2597 C CA . ASP A 370 ? 0.7792 0.2863 0.5555 -0.0563 0.0897 0.0797 393 ASP A CA 2598 C C . ASP A 370 ? 0.6838 0.2227 0.4708 -0.0460 0.0865 0.0733 393 ASP A C 2599 O O . ASP A 370 ? 0.6594 0.2023 0.4334 -0.0316 0.0799 0.0798 393 ASP A O 2600 C CB . ASP A 370 ? 0.8347 0.3153 0.5933 -0.0393 0.0781 0.0896 393 ASP A CB 2601 C CG . ASP A 370 ? 0.9773 0.4232 0.7241 -0.0489 0.0809 0.0980 393 ASP A CG 2602 O OD1 . ASP A 370 ? 1.0367 0.4803 0.7820 -0.0694 0.0931 0.0996 393 ASP A OD1 2603 O OD2 . ASP A 370 ? 1.0720 0.4936 0.8126 -0.0362 0.0712 0.1028 393 ASP A OD2 2604 N N . PHE A 371 ? 0.6312 0.1933 0.4423 -0.0536 0.0905 0.0609 394 PHE A N 2605 C CA . PHE A 371 ? 0.5877 0.1785 0.4102 -0.0447 0.0877 0.0556 394 PHE A CA 2606 C C . PHE A 371 ? 0.6420 0.2448 0.4524 -0.0463 0.0944 0.0632 394 PHE A C 2607 O O . PHE A 371 ? 0.5648 0.1792 0.3710 -0.0321 0.0881 0.0648 394 PHE A O 2608 C CB . PHE A 371 ? 0.5614 0.1755 0.4127 -0.0552 0.0917 0.0421 394 PHE A CB 2609 C CG . PHE A 371 ? 0.5721 0.2133 0.4365 -0.0456 0.0881 0.0372 394 PHE A CG 2610 C CD1 . PHE A 371 ? 0.5210 0.1669 0.3888 -0.0279 0.0754 0.0329 394 PHE A CD1 2611 C CD2 . PHE A 371 ? 0.4902 0.1622 0.3676 -0.0525 0.0951 0.0360 394 PHE A CD2 2612 C CE1 . PHE A 371 ? 0.4785 0.1628 0.3629 -0.0183 0.0686 0.0282 394 PHE A CE1 2613 C CE2 . PHE A 371 ? 0.4478 0.1568 0.3430 -0.0411 0.0873 0.0307 394 PHE A CE2 2614 C CZ . PHE A 371 ? 0.4315 0.1456 0.3293 -0.0250 0.0742 0.0275 394 PHE A CZ 2615 N N . TYR A 372 ? 0.6007 0.2031 0.4064 -0.0638 0.1075 0.0666 395 TYR A N 2616 C CA . TYR A 372 ? 0.7228 0.3403 0.5193 -0.0666 0.1157 0.0708 395 TYR A CA 2617 C C . TYR A 372 ? 0.6995 0.2964 0.4624 -0.0618 0.1138 0.0843 395 TYR A C 2618 O O . TYR A 372 ? 0.6898 0.2959 0.4393 -0.0547 0.1130 0.0881 395 TYR A O 2619 C CB . TYR A 372 ? 0.6483 0.2842 0.4602 -0.0878 0.1320 0.0654 395 TYR A CB 2620 C CG . TYR A 372 ? 0.5786 0.2414 0.4270 -0.0942 0.1341 0.0519 395 TYR A CG 2621 C CD1 . TYR A 372 ? 0.5169 0.2080 0.3837 -0.0890 0.1346 0.0458 395 TYR A CD1 2622 C CD2 . TYR A 372 ? 0.6419 0.3026 0.5073 -0.1059 0.1350 0.0452 395 TYR A CD2 2623 C CE1 . TYR A 372 ? 0.5617 0.2860 0.4660 -0.0925 0.1322 0.0330 395 TYR A CE1 2624 C CE2 . TYR A 372 ? 0.5727 0.2610 0.4720 -0.1120 0.1352 0.0327 395 TYR A CE2 2625 C CZ . TYR A 372 ? 0.5144 0.2331 0.4330 -0.1059 0.1345 0.0274 395 TYR A CZ 2626 O OH . TYR A 372 ? 0.6247 0.3779 0.5795 -0.1094 0.1305 0.0151 395 TYR A OH 2627 N N . THR A 373 ? 0.7055 0.2747 0.4548 -0.0665 0.1129 0.0915 396 THR A N 2628 C CA . THR A 373 ? 0.7113 0.2597 0.4291 -0.0625 0.1101 0.1056 396 THR A CA 2629 C C . THR A 373 ? 0.7065 0.2503 0.4143 -0.0395 0.0934 0.1099 396 THR A C 2630 O O . THR A 373 ? 0.7670 0.3057 0.4510 -0.0335 0.0895 0.1198 396 THR A O 2631 C CB . THR A 373 ? 0.7573 0.2754 0.4658 -0.0725 0.1123 0.1128 396 THR A CB 2632 O OG1 . THR A 373 ? 0.7558 0.2599 0.4772 -0.0633 0.1019 0.1083 396 THR A OG1 2633 C CG2 . THR A 373 ? 0.7644 0.2905 0.4835 -0.0966 0.1291 0.1083 396 THR A CG2 2634 N N . PHE A 374 ? 0.6814 0.2296 0.4079 -0.0269 0.0833 0.1020 397 PHE A N 2635 C CA . PHE A 374 ? 0.7110 0.2637 0.4349 -0.0050 0.0679 0.1031 397 PHE A CA 2636 C C . PHE A 374 ? 0.7342 0.3057 0.4457 0.0001 0.0672 0.1063 397 PHE A C 2637 O O . PHE A 374 ? 0.6405 0.2325 0.3601 -0.0075 0.0763 0.1004 397 PHE A O 2638 C CB . PHE A 374 ? 0.6447 0.2122 0.3954 0.0037 0.0617 0.0904 397 PHE A CB 2639 C CG . PHE A 374 ? 0.6189 0.1953 0.3719 0.0254 0.0466 0.0895 397 PHE A CG 2640 C CD1 . PHE A 374 ? 0.7269 0.2849 0.4756 0.0369 0.0366 0.0935 397 PHE A CD1 2641 C CD2 . PHE A 374 ? 0.6617 0.2665 0.4242 0.0338 0.0427 0.0840 397 PHE A CD2 2642 C CE1 . PHE A 374 ? 0.7217 0.2926 0.4767 0.0562 0.0235 0.0913 397 PHE A CE1 2643 C CE2 . PHE A 374 ? 0.6913 0.3088 0.4590 0.0525 0.0291 0.0821 397 PHE A CE2 2644 C CZ . PHE A 374 ? 0.6660 0.2680 0.4308 0.0634 0.0198 0.0853 397 PHE A CZ 2645 N N . ASP A 375 ? 0.6758 0.2405 0.3687 0.0128 0.0563 0.1152 398 ASP A N 2646 C CA . ASP A 375 ? 0.6736 0.2525 0.3494 0.0154 0.0556 0.1193 398 ASP A CA 2647 C C . ASP A 375 ? 0.6479 0.2516 0.3377 0.0320 0.0442 0.1119 398 ASP A C 2648 O O . ASP A 375 ? 0.6532 0.2597 0.3388 0.0472 0.0302 0.1151 398 ASP A O 2649 C CB . ASP A 375 ? 0.7577 0.3173 0.4049 0.0175 0.0502 0.1334 398 ASP A CB 2650 C CG . ASP A 375 ? 0.7430 0.3155 0.3688 0.0149 0.0526 0.1374 398 ASP A CG 2651 O OD1 . ASP A 375 ? 0.6920 0.2887 0.3258 0.0147 0.0563 0.1287 398 ASP A OD1 2652 O OD2 . ASP A 375 ? 0.7658 0.3242 0.3665 0.0136 0.0500 0.1493 398 ASP A OD2 2653 N N . SER A 376 ? 0.6105 0.2341 0.3197 0.0281 0.0507 0.1017 399 SER A N 2654 C CA . SER A 376 ? 0.5590 0.2081 0.2828 0.0413 0.0417 0.0946 399 SER A CA 2655 C C . SER A 376 ? 0.5853 0.2458 0.2909 0.0475 0.0362 0.0986 399 SER A C 2656 O O . SER A 376 ? 0.5454 0.2227 0.2584 0.0616 0.0234 0.0956 399 SER A O 2657 C CB . SER A 376 ? 0.5235 0.1894 0.2691 0.0341 0.0510 0.0852 399 SER A CB 2658 O OG . SER A 376 ? 0.6251 0.2835 0.3889 0.0280 0.0546 0.0800 399 SER A OG 2659 N N . GLU A 377 ? 0.5862 0.2408 0.2693 0.0359 0.0461 0.1039 400 GLU A N 2660 C CA . GLU A 377 ? 0.6518 0.3183 0.3162 0.0406 0.0408 0.1063 400 GLU A CA 2661 C C . GLU A 377 ? 0.6586 0.3175 0.3107 0.0530 0.0247 0.1144 400 GLU A C 2662 O O . GLU A 377 ? 0.6123 0.2885 0.2641 0.0641 0.0128 0.1127 400 GLU A O 2663 C CB . GLU A 377 ? 0.6370 0.3014 0.2799 0.0243 0.0563 0.1085 400 GLU A CB 2664 C CG . GLU A 377 ? 0.8677 0.5470 0.4909 0.0279 0.0513 0.1083 400 GLU A CG 2665 C CD . GLU A 377 ? 1.1228 0.8040 0.7255 0.0112 0.0679 0.1078 400 GLU A CD 2666 O OE1 . GLU A 377 ? 1.2047 0.9002 0.7921 0.0119 0.0662 0.1047 400 GLU A OE1 2667 O OE2 . GLU A 377 ? 1.1802 0.8513 0.7841 -0.0031 0.0828 0.1090 400 GLU A OE2 2668 N N . ALA A 378 ? 0.6644 0.2982 0.3083 0.0509 0.0242 0.1230 401 ALA A N 2669 C CA . ALA A 378 ? 0.6882 0.3133 0.3235 0.0635 0.0091 0.1315 401 ALA A CA 2670 C C . ALA A 378 ? 0.6663 0.3067 0.3277 0.0806 -0.0045 0.1242 401 ALA A C 2671 O O . ALA A 378 ? 0.6520 0.3041 0.3125 0.0927 -0.0179 0.1260 401 ALA A O 2672 C CB . ALA A 378 ? 0.7205 0.3132 0.3436 0.0575 0.0122 0.1425 401 ALA A CB 2673 N N . ILE A 379 ? 0.6222 0.2648 0.3079 0.0808 -0.0008 0.1153 402 ILE A N 2674 C CA . ILE A 379 ? 0.5933 0.2547 0.3050 0.0951 -0.0114 0.1065 402 ILE A CA 2675 C C . ILE A 379 ? 0.6376 0.3308 0.3559 0.1016 -0.0181 0.1005 402 ILE A C 2676 O O . ILE A 379 ? 0.5726 0.2810 0.2989 0.1140 -0.0305 0.0992 402 ILE A O 2677 C CB . ILE A 379 ? 0.5686 0.2302 0.3031 0.0912 -0.0046 0.0971 402 ILE A CB 2678 C CG1 . ILE A 379 ? 0.6209 0.2506 0.3500 0.0841 0.0014 0.1019 402 ILE A CG1 2679 C CG2 . ILE A 379 ? 0.5365 0.2223 0.2978 0.1043 -0.0138 0.0867 402 ILE A CG2 2680 C CD1 . ILE A 379 ? 0.6550 0.2686 0.3815 0.0956 -0.0090 0.1077 402 ILE A CD1 2681 N N . VAL A 380 ? 0.5432 0.2475 0.2596 0.0927 -0.0094 0.0964 403 VAL A N 2682 C CA . VAL A 380 ? 0.5157 0.2492 0.2393 0.0978 -0.0152 0.0900 403 VAL A CA 2683 C C . VAL A 380 ? 0.5388 0.2768 0.2436 0.1027 -0.0251 0.0958 403 VAL A C 2684 O O . VAL A 380 ? 0.5252 0.2855 0.2417 0.1126 -0.0370 0.0917 403 VAL A O 2685 C CB . VAL A 380 ? 0.4983 0.2380 0.2204 0.0871 -0.0029 0.0857 403 VAL A CB 2686 C CG1 . VAL A 380 ? 0.4751 0.2424 0.2007 0.0916 -0.0092 0.0795 403 VAL A CG1 2687 C CG2 . VAL A 380 ? 0.4716 0.2118 0.2173 0.0839 0.0041 0.0796 403 VAL A CG2 2688 N N . LYS A 381 ? 0.5759 0.2941 0.2523 0.0950 -0.0205 0.1056 404 LYS A N 2689 C CA . LYS A 381 ? 0.6009 0.3240 0.2578 0.0987 -0.0303 0.1117 404 LYS A CA 2690 C C . LYS A 381 ? 0.6773 0.4008 0.3430 0.1127 -0.0455 0.1161 404 LYS A C 2691 O O . LYS A 381 ? 0.6135 0.3563 0.2807 0.1204 -0.0576 0.1153 404 LYS A O 2692 C CB . LYS A 381 ? 0.6651 0.3672 0.2888 0.0862 -0.0213 0.1219 404 LYS A CB 2693 C CG . LYS A 381 ? 0.7339 0.4348 0.3338 0.0895 -0.0321 0.1320 404 LYS A CG 2694 C CD . LYS A 381 ? 0.9645 0.6373 0.5533 0.0920 -0.0359 0.1461 404 LYS A CD 2695 C CE . LYS A 381 ? 1.0162 0.6962 0.5950 0.1019 -0.0522 0.1538 404 LYS A CE 2696 N NZ . LYS A 381 ? 1.0726 0.7239 0.6433 0.1071 -0.0577 0.1685 404 LYS A NZ 2697 N N . LYS A 382 ? 0.6268 0.3299 0.2997 0.1159 -0.0447 0.1199 405 LYS A N 2698 C CA . LYS A 382 ? 0.6631 0.3649 0.3456 0.1300 -0.0579 0.1235 405 LYS A CA 2699 C C . LYS A 382 ? 0.6038 0.3367 0.3169 0.1408 -0.0659 0.1114 405 LYS A C 2700 O O . LYS A 382 ? 0.6127 0.3551 0.3343 0.1527 -0.0780 0.1127 405 LYS A O 2701 C CB . LYS A 382 ? 0.6852 0.3569 0.3696 0.1302 -0.0539 0.1285 405 LYS A CB 2702 C CG . LYS A 382 ? 0.7877 0.4518 0.4805 0.1453 -0.0665 0.1335 405 LYS A CG 2703 C CD . LYS A 382 ? 0.7427 0.3997 0.4128 0.1498 -0.0771 0.1478 405 LYS A CD 2704 C CE . LYS A 382 ? 0.8687 0.4973 0.5349 0.1582 -0.0834 0.1593 405 LYS A CE 2705 N NZ . LYS A 382 ? 0.8779 0.5150 0.5379 0.1701 -0.0992 0.1684 405 LYS A NZ 2706 N N . LEU A 383 ? 0.5634 0.3130 0.2937 0.1365 -0.0590 0.1001 406 LEU A N 2707 C CA . LEU A 383 ? 0.5269 0.3082 0.2852 0.1439 -0.0649 0.0886 406 LEU A CA 2708 C C . LEU A 383 ? 0.5097 0.3180 0.2673 0.1421 -0.0693 0.0843 406 LEU A C 2709 O O . LEU A 383 ? 0.4784 0.3144 0.2593 0.1455 -0.0729 0.0746 406 LEU A O 2710 C CB . LEU A 383 ? 0.5715 0.3577 0.3504 0.1398 -0.0558 0.0790 406 LEU A CB 2711 C CG . LEU A 383 ? 0.5350 0.3050 0.3250 0.1438 -0.0539 0.0780 406 LEU A CG 2712 C CD1 . LEU A 383 ? 0.4708 0.2453 0.2765 0.1369 -0.0444 0.0692 406 LEU A CD1 2713 C CD2 . LEU A 383 ? 0.5028 0.2870 0.3100 0.1575 -0.0645 0.0746 406 LEU A CD2 2714 N N . THR A 384 ? 0.5301 0.3316 0.2616 0.1357 -0.0684 0.0905 407 THR A N 2715 C CA . THR A 384 ? 0.5227 0.3480 0.2527 0.1320 -0.0707 0.0844 407 THR A CA 2716 C C . THR A 384 ? 0.5316 0.3714 0.2559 0.1381 -0.0847 0.0873 407 THR A C 2717 O O . THR A 384 ? 0.5701 0.3938 0.2718 0.1390 -0.0890 0.0984 407 THR A O 2718 C CB . THR A 384 ? 0.5396 0.3523 0.2448 0.1196 -0.0595 0.0864 407 THR A CB 2719 O OG1 . THR A 384 ? 0.5850 0.3933 0.3021 0.1143 -0.0476 0.0811 407 THR A OG1 2720 C CG2 . THR A 384 ? 0.5585 0.3930 0.2565 0.1161 -0.0632 0.0804 407 THR A CG2 2721 N N . CYS A 385 ? 0.5057 0.3763 0.2505 0.1412 -0.0916 0.0779 408 CYS A N 2722 C CA . CYS A 385 ? 0.5456 0.4350 0.2870 0.1448 -0.1047 0.0787 408 CYS A CA 2723 C C . CYS A 385 ? 0.5522 0.4317 0.2899 0.1552 -0.1147 0.0889 408 CYS A C 2724 O O . CYS A 385 ? 0.5878 0.4597 0.3019 0.1552 -0.1217 0.0985 408 CYS A O 2725 C CB . CYS A 385 ? 0.6181 0.5063 0.3303 0.1352 -0.1039 0.0804 408 CYS A CB 2726 S SG . CYS A 385 ? 0.5750 0.4732 0.2902 0.1238 -0.0921 0.0678 408 CYS A SG 2727 N N . ARG A 386 ? 0.5417 0.4220 0.3032 0.1642 -0.1156 0.0865 409 ARG A N 2728 C CA . ARG A 386 ? 0.6729 0.5404 0.4336 0.1755 -0.1240 0.0957 409 ARG A CA 2729 C C . ARG A 386 ? 0.6515 0.5466 0.4344 0.1863 -0.1368 0.0916 409 ARG A C 2730 O O . ARG A 386 ? 0.6180 0.5098 0.3934 0.1945 -0.1482 0.1008 409 ARG A O 2731 C CB . ARG A 386 ? 0.5726 0.4172 0.3415 0.1784 -0.1157 0.0961 409 ARG A CB 2732 C CG . ARG A 386 ? 0.5882 0.4012 0.3323 0.1684 -0.1046 0.1033 409 ARG A CG 2733 C CD . ARG A 386 ? 0.6390 0.4265 0.3540 0.1693 -0.1097 0.1194 409 ARG A CD 2734 N NE . ARG A 386 ? 0.6888 0.4659 0.4122 0.1825 -0.1187 0.1257 409 ARG A NE 2735 C CZ . ARG A 386 ? 0.7006 0.4516 0.4273 0.1852 -0.1136 0.1287 409 ARG A CZ 2736 N NH1 . ARG A 386 ? 0.6669 0.4005 0.3897 0.1748 -0.0998 0.1261 409 ARG A NH1 2737 N NH2 . ARG A 386 ? 0.8330 0.5746 0.5680 0.1985 -0.1225 0.1342 409 ARG A NH2 2738 N N . LYS A 387 ? 0.6100 0.5328 0.4202 0.1859 -0.1349 0.0786 410 LYS A N 2739 C CA . LYS A 387 ? 0.6544 0.6077 0.4877 0.1937 -0.1451 0.0729 410 LYS A CA 2740 C C . LYS A 387 ? 0.7670 0.7489 0.6084 0.1841 -0.1447 0.0630 410 LYS A C 2741 O O . LYS A 387 ? 0.7446 0.7247 0.5847 0.1741 -0.1343 0.0577 410 LYS A O 2742 C CB . LYS A 387 ? 0.6020 0.5618 0.4632 0.2021 -0.1419 0.0657 410 LYS A CB 2743 C CG . LYS A 387 ? 0.7018 0.6303 0.5565 0.2106 -0.1404 0.0736 410 LYS A CG 2744 C CD . LYS A 387 ? 0.7662 0.6980 0.6449 0.2152 -0.1333 0.0642 410 LYS A CD 2745 C CE . LYS A 387 ? 0.7954 0.7564 0.7011 0.2262 -0.1409 0.0571 410 LYS A CE 2746 N NZ . LYS A 387 ? 0.7773 0.7364 0.7023 0.2327 -0.1345 0.0494 410 LYS A NZ 2747 N N . PRO A 388 ? 0.7481 0.7562 0.5983 0.1866 -0.1560 0.0606 411 PRO A N 2748 C CA . PRO A 388 ? 0.7796 0.8122 0.6345 0.1759 -0.1562 0.0518 411 PRO A CA 2749 C C . PRO A 388 ? 0.7261 0.7731 0.6044 0.1696 -0.1457 0.0402 411 PRO A C 2750 O O . PRO A 388 ? 0.8254 0.8781 0.7001 0.1585 -0.1411 0.0349 411 PRO A O 2751 C CB . PRO A 388 ? 0.8017 0.8606 0.6673 0.1817 -0.1710 0.0511 411 PRO A CB 2752 C CG . PRO A 388 ? 0.8421 0.8823 0.6921 0.1926 -0.1799 0.0642 411 PRO A CG 2753 C CD . PRO A 388 ? 0.8519 0.8655 0.7030 0.1984 -0.1703 0.0676 411 PRO A CD 2754 N N . LYS A 389 ? 0.7067 0.7591 0.6074 0.1760 -0.1419 0.0362 412 LYS A N 2755 C CA . LYS A 389 ? 0.6862 0.7532 0.6078 0.1693 -0.1322 0.0263 412 LYS A CA 2756 C C . LYS A 389 ? 0.6140 0.6612 0.5379 0.1720 -0.1221 0.0269 412 LYS A C 2757 O O . LYS A 389 ? 0.6209 0.6791 0.5649 0.1762 -0.1190 0.0213 412 LYS A O 2758 C CB . LYS A 389 ? 0.6998 0.8009 0.6490 0.1714 -0.1367 0.0181 412 LYS A CB 2759 C CG . LYS A 389 ? 0.8008 0.9216 0.7492 0.1711 -0.1491 0.0181 412 LYS A CG 2760 C CD . LYS A 389 ? 0.7815 0.9361 0.7584 0.1741 -0.1536 0.0104 412 LYS A CD 2761 C CE . LYS A 389 ? 0.7593 0.9138 0.7471 0.1898 -0.1577 0.0126 412 LYS A CE 2762 N NZ . LYS A 389 ? 0.7236 0.9130 0.7358 0.1941 -0.1657 0.0064 412 LYS A NZ 2763 N N . GLN A 390 ? 0.6933 0.7116 0.5958 0.1688 -0.1164 0.0331 413 GLN A N 2764 C CA . GLN A 390 ? 0.5867 0.5874 0.4913 0.1683 -0.1062 0.0326 413 GLN A CA 2765 C C . GLN A 390 ? 0.4816 0.4997 0.4041 0.1597 -0.0982 0.0237 413 GLN A C 2766 O O . GLN A 390 ? 0.4830 0.5123 0.4057 0.1506 -0.0970 0.0209 413 GLN A O 2767 C CB . GLN A 390 ? 0.5045 0.4731 0.3833 0.1641 -0.1008 0.0406 413 GLN A CB 2768 C CG . GLN A 390 ? 0.5654 0.5150 0.4224 0.1699 -0.1081 0.0512 413 GLN A CG 2769 C CD . GLN A 390 ? 0.4637 0.3823 0.2950 0.1643 -0.1013 0.0590 413 GLN A CD 2770 O OE1 . GLN A 390 ? 0.5958 0.4964 0.4047 0.1662 -0.1057 0.0690 413 GLN A OE1 2771 N NE2 . GLN A 390 ? 0.4759 0.3881 0.3096 0.1564 -0.0902 0.0551 413 GLN A NE2 2772 N N . HIS A 391 ? 0.4584 0.4774 0.3949 0.1624 -0.0929 0.0196 414 HIS A N 2773 C CA . HIS A 391 ? 0.3776 0.4137 0.3310 0.1547 -0.0858 0.0121 414 HIS A CA 2774 C C . HIS A 391 ? 0.3455 0.3627 0.2914 0.1477 -0.0767 0.0137 414 HIS A C 2775 O O . HIS A 391 ? 0.2869 0.3128 0.2455 0.1434 -0.0707 0.0088 414 HIS A O 2776 C CB . HIS A 391 ? 0.3005 0.3532 0.2733 0.1615 -0.0859 0.0057 414 HIS A CB 2777 C CG . HIS A 391 ? 0.3383 0.4151 0.3227 0.1672 -0.0943 0.0030 414 HIS A CG 2778 N ND1 . HIS A 391 ? 0.2900 0.3947 0.2874 0.1597 -0.0955 -0.0019 414 HIS A ND1 2779 C CD2 . HIS A 391 ? 0.3473 0.4242 0.3325 0.1793 -0.1027 0.0052 414 HIS A CD2 2780 C CE1 . HIS A 391 ? 0.3430 0.4656 0.3495 0.1666 -0.1038 -0.0036 414 HIS A CE1 2781 N NE2 . HIS A 391 ? 0.3639 0.4708 0.3637 0.1791 -0.1086 0.0008 414 HIS A NE2 2782 N N . PHE A 392 ? 0.3771 0.3693 0.3022 0.1464 -0.0755 0.0206 415 PHE A N 2783 C CA . PHE A 392 ? 0.3883 0.3635 0.3056 0.1391 -0.0671 0.0225 415 PHE A CA 2784 C C . PHE A 392 ? 0.4217 0.3803 0.3160 0.1363 -0.0677 0.0290 415 PHE A C 2785 O O . PHE A 392 ? 0.3539 0.3089 0.2354 0.1409 -0.0745 0.0333 415 PHE A O 2786 C CB . PHE A 392 ? 0.3071 0.2604 0.2215 0.1424 -0.0621 0.0242 415 PHE A CB 2787 C CG . PHE A 392 ? 0.3938 0.3221 0.2904 0.1495 -0.0656 0.0317 415 PHE A CG 2788 C CD1 . PHE A 392 ? 0.3941 0.3256 0.2961 0.1602 -0.0725 0.0316 415 PHE A CD1 2789 C CD2 . PHE A 392 ? 0.3826 0.2843 0.2566 0.1454 -0.0621 0.0396 415 PHE A CD2 2790 C CE1 . PHE A 392 ? 0.4730 0.3807 0.3589 0.1670 -0.0769 0.0400 415 PHE A CE1 2791 C CE2 . PHE A 392 ? 0.4472 0.3250 0.3031 0.1508 -0.0655 0.0481 415 PHE A CE2 2792 C CZ . PHE A 392 ? 0.4758 0.3561 0.3379 0.1617 -0.0735 0.0488 415 PHE A CZ 2793 N N . LYS A 393 ? 0.3882 0.3360 0.2760 0.1291 -0.0603 0.0301 416 LYS A N 2794 C CA . LYS A 393 ? 0.3770 0.3045 0.2391 0.1264 -0.0583 0.0364 416 LYS A CA 2795 C C . LYS A 393 ? 0.3426 0.2446 0.1960 0.1224 -0.0483 0.0404 416 LYS A C 2796 O O . LYS A 393 ? 0.3231 0.2303 0.1916 0.1182 -0.0426 0.0365 416 LYS A O 2797 C CB . LYS A 393 ? 0.3670 0.3085 0.2269 0.1211 -0.0594 0.0330 416 LYS A CB 2798 C CG . LYS A 393 ? 0.4299 0.3502 0.2585 0.1180 -0.0561 0.0388 416 LYS A CG 2799 C CD . LYS A 393 ? 0.4282 0.3623 0.2523 0.1127 -0.0575 0.0332 416 LYS A CD 2800 C CE . LYS A 393 ? 0.4052 0.3676 0.2457 0.1150 -0.0684 0.0271 416 LYS A CE 2801 N NZ . LYS A 393 ? 0.3552 0.3158 0.1812 0.1195 -0.0766 0.0315 416 LYS A NZ 2802 N N . ALA A 394 ? 0.3621 0.2372 0.1918 0.1227 -0.0461 0.0485 417 ALA A N 2803 C CA . ALA A 394 ? 0.4140 0.2624 0.2331 0.1169 -0.0356 0.0530 417 ALA A CA 2804 C C . ALA A 394 ? 0.4046 0.2455 0.2086 0.1086 -0.0270 0.0550 417 ALA A C 2805 O O . ALA A 394 ? 0.3835 0.2300 0.1732 0.1064 -0.0289 0.0553 417 ALA A O 2806 C CB . ALA A 394 ? 0.4728 0.2944 0.2725 0.1189 -0.0361 0.0617 417 ALA A CB 2807 N N . TYR A 395 ? 0.3715 0.2073 0.1872 0.0983 -0.0153 0.0522 418 TYR A N 2808 C CA . TYR A 395 ? 0.3669 0.2060 0.1844 0.0844 -0.0033 0.0484 418 TYR A CA 2809 C C . TYR A 395 ? 0.4056 0.2252 0.2223 0.0753 0.0085 0.0509 418 TYR A C 2810 O O . TYR A 395 ? 0.3775 0.1937 0.2082 0.0768 0.0081 0.0497 418 TYR A O 2811 C CB . TYR A 395 ? 0.3182 0.1851 0.1660 0.0800 -0.0023 0.0384 418 TYR A CB 2812 C CG . TYR A 395 ? 0.3639 0.2532 0.2179 0.0841 -0.0111 0.0336 418 TYR A CG 2813 C CD1 . TYR A 395 ? 0.2930 0.1969 0.1572 0.0938 -0.0228 0.0327 418 TYR A CD1 2814 C CD2 . TYR A 395 ? 0.3034 0.2007 0.1553 0.0771 -0.0069 0.0283 418 TYR A CD2 2815 C CE1 . TYR A 395 ? 0.2806 0.2070 0.1527 0.0952 -0.0305 0.0275 418 TYR A CE1 2816 C CE2 . TYR A 395 ? 0.2935 0.2096 0.1512 0.0792 -0.0149 0.0230 418 TYR A CE2 2817 C CZ . TYR A 395 ? 0.3157 0.2466 0.1840 0.0876 -0.0268 0.0229 418 TYR A CZ 2818 O OH . TYR A 395 ? 0.3227 0.2734 0.1985 0.0876 -0.0343 0.0172 418 TYR A OH 2819 N N . LEU A 396 ? 0.3935 0.2033 0.1957 0.0645 0.0198 0.0526 419 LEU A N 2820 C CA . LEU A 396 ? 0.3784 0.1847 0.1931 0.0521 0.0331 0.0498 419 LEU A CA 2821 C C . LEU A 396 ? 0.3391 0.1736 0.1878 0.0493 0.0340 0.0393 419 LEU A C 2822 O O . LEU A 396 ? 0.3241 0.1767 0.1795 0.0519 0.0300 0.0344 419 LEU A O 2823 C CB . LEU A 396 ? 0.4049 0.1998 0.1989 0.0405 0.0464 0.0525 419 LEU A CB 2824 C CG . LEU A 396 ? 0.4492 0.2161 0.2039 0.0423 0.0449 0.0648 419 LEU A CG 2825 C CD1 . LEU A 396 ? 0.4768 0.2366 0.2077 0.0299 0.0584 0.0669 419 LEU A CD1 2826 C CD2 . LEU A 396 ? 0.5569 0.2978 0.3081 0.0429 0.0446 0.0722 419 LEU A CD2 2827 N N . ALA A 397 ? 0.3857 0.2230 0.2551 0.0432 0.0389 0.0362 420 ALA A N 2828 C CA . ALA A 397 ? 0.3173 0.1802 0.2185 0.0418 0.0374 0.0283 420 ALA A CA 2829 C C . ALA A 397 ? 0.2914 0.1690 0.2012 0.0371 0.0435 0.0225 420 ALA A C 2830 O O . ALA A 397 ? 0.2956 0.1919 0.2236 0.0402 0.0381 0.0176 420 ALA A O 2831 C CB . ALA A 397 ? 0.2937 0.1574 0.2136 0.0346 0.0419 0.0260 420 ALA A CB 2832 N N . LYS A 398 ? 0.3515 0.2204 0.2482 0.0293 0.0554 0.0225 421 LYS A N 2833 C CA . LYS A 398 ? 0.3455 0.2284 0.2510 0.0251 0.0627 0.0147 421 LYS A CA 2834 C C . LYS A 398 ? 0.3179 0.2062 0.2121 0.0317 0.0556 0.0124 421 LYS A C 2835 O O . LYS A 398 ? 0.2888 0.1904 0.1963 0.0302 0.0589 0.0040 421 LYS A O 2836 C CB . LYS A 398 ? 0.3461 0.2189 0.2365 0.0147 0.0785 0.0147 421 LYS A CB 2837 C CG . LYS A 398 ? 0.4325 0.2849 0.2822 0.0160 0.0778 0.0227 421 LYS A CG 2838 C CD . LYS A 398 ? 0.4813 0.3231 0.3107 0.0043 0.0940 0.0239 421 LYS A CD 2839 C CE . LYS A 398 ? 0.5142 0.3354 0.3000 0.0060 0.0912 0.0335 421 LYS A CE 2840 N NZ . LYS A 398 ? 0.6214 0.4298 0.3854 -0.0074 0.1079 0.0369 421 LYS A NZ 2841 N N . ASP A 399 ? 0.3121 0.1904 0.1829 0.0390 0.0457 0.0190 422 ASP A N 2842 C CA . ASP A 399 ? 0.3131 0.1988 0.1738 0.0447 0.0371 0.0165 422 ASP A CA 2843 C C . ASP A 399 ? 0.2857 0.1873 0.1674 0.0520 0.0243 0.0145 422 ASP A C 2844 O O . ASP A 399 ? 0.3687 0.2794 0.2472 0.0554 0.0170 0.0112 422 ASP A O 2845 C CB . ASP A 399 ? 0.3456 0.2145 0.1694 0.0490 0.0321 0.0250 422 ASP A CB 2846 C CG . ASP A 399 ? 0.4356 0.2880 0.2327 0.0402 0.0451 0.0282 422 ASP A CG 2847 O OD1 . ASP A 399 ? 0.4146 0.2743 0.2185 0.0317 0.0574 0.0202 422 ASP A OD1 2848 O OD2 . ASP A 399 ? 0.5285 0.3606 0.2971 0.0420 0.0429 0.0389 422 ASP A OD2 2849 N N . LEU A 400 ? 0.2943 0.1998 0.1959 0.0534 0.0218 0.0162 423 LEU A N 2850 C CA . LEU A 400 ? 0.2553 0.1777 0.1775 0.0580 0.0118 0.0143 423 LEU A CA 2851 C C . LEU A 400 ? 0.2339 0.1708 0.1750 0.0543 0.0128 0.0069 423 LEU A C 2852 O O . LEU A 400 ? 0.2461 0.1825 0.1955 0.0485 0.0222 0.0024 423 LEU A O 2853 C CB . LEU A 400 ? 0.2265 0.1513 0.1657 0.0578 0.0109 0.0163 423 LEU A CB 2854 C CG . LEU A 400 ? 0.3397 0.2517 0.2655 0.0635 0.0071 0.0218 423 LEU A CG 2855 C CD1 . LEU A 400 ? 0.2283 0.1404 0.1696 0.0600 0.0095 0.0214 423 LEU A CD1 2856 C CD2 . LEU A 400 ? 0.2904 0.2111 0.2127 0.0736 -0.0048 0.0228 423 LEU A CD2 2857 N N . PRO A 401 ? 0.2487 0.1982 0.1970 0.0576 0.0033 0.0051 424 PRO A N 2858 C CA . PRO A 401 ? 0.2009 0.1617 0.1702 0.0539 0.0029 -0.0009 424 PRO A CA 2859 C C . PRO A 401 ? 0.2283 0.1914 0.2210 0.0499 0.0088 -0.0014 424 PRO A C 2860 O O . PRO A 401 ? 0.1815 0.1470 0.1830 0.0503 0.0069 0.0032 424 PRO A O 2861 C CB . PRO A 401 ? 0.1871 0.1615 0.1654 0.0569 -0.0085 0.0007 424 PRO A CB 2862 C CG . PRO A 401 ? 0.2576 0.2293 0.2128 0.0636 -0.0145 0.0041 424 PRO A CG 2863 C CD . PRO A 401 ? 0.3018 0.2561 0.2415 0.0647 -0.0076 0.0086 424 PRO A CD 2864 N N . LYS A 402 ? 0.1895 0.1527 0.1929 0.0464 0.0155 -0.0080 425 LYS A N 2865 C CA . LYS A 402 ? 0.2093 0.1762 0.2366 0.0437 0.0209 -0.0092 425 LYS A CA 2866 C C . LYS A 402 ? 0.2503 0.2275 0.3005 0.0444 0.0121 -0.0052 425 LYS A C 2867 O O . LYS A 402 ? 0.2440 0.2255 0.3105 0.0430 0.0131 -0.0027 425 LYS A O 2868 C CB . LYS A 402 ? 0.1882 0.1541 0.2232 0.0416 0.0295 -0.0186 425 LYS A CB 2869 C CG . LYS A 402 ? 0.2116 0.1687 0.2221 0.0393 0.0396 -0.0223 425 LYS A CG 2870 C CD . LYS A 402 ? 0.2632 0.2153 0.2679 0.0361 0.0471 -0.0174 425 LYS A CD 2871 C CE . LYS A 402 ? 0.2553 0.2131 0.2804 0.0320 0.0596 -0.0249 425 LYS A CE 2872 N NZ . LYS A 402 ? 0.2597 0.2178 0.2908 0.0274 0.0657 -0.0209 425 LYS A NZ 2873 N N . ARG A 403 ? 0.2229 0.2047 0.2740 0.0455 0.0036 -0.0044 426 ARG A N 2874 C CA . ARG A 403 ? 0.2298 0.2210 0.2976 0.0449 -0.0050 0.0012 426 ARG A CA 2875 C C . ARG A 403 ? 0.2036 0.1996 0.2692 0.0454 -0.0078 0.0078 426 ARG A C 2876 O O . ARG A 403 ? 0.2277 0.2317 0.3077 0.0437 -0.0129 0.0125 426 ARG A O 2877 C CB . ARG A 403 ? 0.1766 0.1722 0.2402 0.0444 -0.0124 0.0009 426 ARG A CB 2878 C CG . ARG A 403 ? 0.1748 0.1729 0.2164 0.0476 -0.0157 0.0023 426 ARG A CG 2879 C CD . ARG A 403 ? 0.1481 0.1550 0.1874 0.0467 -0.0232 0.0009 426 ARG A CD 2880 N NE . ARG A 403 ? 0.1536 0.1635 0.1738 0.0515 -0.0264 0.0007 426 ARG A NE 2881 C CZ . ARG A 403 ? 0.1694 0.1866 0.1861 0.0556 -0.0301 0.0051 426 ARG A CZ 2882 N NH1 . ARG A 403 ? 0.1366 0.1592 0.1648 0.0543 -0.0302 0.0096 426 ARG A NH1 2883 N NH2 . ARG A 403 ? 0.1823 0.2018 0.1836 0.0616 -0.0340 0.0045 426 ARG A NH2 2884 N N . LEU A 404 ? 0.2077 0.1977 0.2546 0.0476 -0.0050 0.0082 427 LEU A N 2885 C CA . LEU A 404 ? 0.1699 0.1621 0.2141 0.0482 -0.0071 0.0123 427 LEU A CA 2886 C C . LEU A 404 ? 0.2032 0.1938 0.2582 0.0446 -0.0020 0.0124 427 LEU A C 2887 O O . LEU A 404 ? 0.1946 0.1894 0.2522 0.0434 -0.0048 0.0149 427 LEU A O 2888 C CB . LEU A 404 ? 0.2377 0.2211 0.2590 0.0528 -0.0067 0.0127 427 LEU A CB 2889 C CG . LEU A 404 ? 0.2080 0.1974 0.2201 0.0575 -0.0136 0.0127 427 LEU A CG 2890 C CD1 . LEU A 404 ? 0.1827 0.1615 0.1724 0.0639 -0.0139 0.0136 427 LEU A CD1 2891 C CD2 . LEU A 404 ? 0.1943 0.1996 0.2172 0.0575 -0.0205 0.0149 427 LEU A CD2 2892 N N . HIS A 405 ? 0.1594 0.1460 0.2214 0.0424 0.0054 0.0087 428 HIS A N 2893 C CA . HIS A 405 ? 0.1999 0.1878 0.2747 0.0383 0.0111 0.0076 428 HIS A CA 2894 C C . HIS A 405 ? 0.2105 0.1922 0.2732 0.0364 0.0125 0.0095 428 HIS A C 2895 O O . HIS A 405 ? 0.2153 0.2038 0.2895 0.0332 0.0103 0.0105 428 HIS A O 2896 C CB . HIS A 405 ? 0.1321 0.1337 0.2335 0.0372 0.0052 0.0094 428 HIS A CB 2897 C CG . HIS A 405 ? 0.1785 0.1823 0.2945 0.0392 0.0045 0.0071 428 HIS A CG 2898 N ND1 . HIS A 405 ? 0.2134 0.2157 0.3404 0.0391 0.0131 0.0005 428 HIS A ND1 2899 C CD2 . HIS A 405 ? 0.1707 0.1766 0.2914 0.0410 -0.0030 0.0095 428 HIS A CD2 2900 C CE1 . HIS A 405 ? 0.2582 0.2604 0.3965 0.0418 0.0106 -0.0018 428 HIS A CE1 2901 N NE2 . HIS A 405 ? 0.1873 0.1905 0.3216 0.0424 0.0006 0.0042 428 HIS A NE2 2902 N N . PHE A 406 ? 0.1873 0.1550 0.2259 0.0385 0.0156 0.0101 429 PHE A N 2903 C CA . PHE A 406 ? 0.2008 0.1581 0.2258 0.0384 0.0157 0.0121 429 PHE A CA 2904 C C . PHE A 406 ? 0.2690 0.2077 0.2766 0.0352 0.0257 0.0122 429 PHE A C 2905 O O . PHE A 406 ? 0.2698 0.1935 0.2543 0.0394 0.0254 0.0151 429 PHE A O 2906 C CB . PHE A 406 ? 0.2429 0.2000 0.2555 0.0456 0.0075 0.0143 429 PHE A CB 2907 C CG . PHE A 406 ? 0.2296 0.1801 0.2354 0.0467 0.0056 0.0146 429 PHE A CG 2908 C CD1 . PHE A 406 ? 0.2240 0.1856 0.2437 0.0428 0.0026 0.0132 429 PHE A CD1 2909 C CD2 . PHE A 406 ? 0.1980 0.1306 0.1831 0.0518 0.0064 0.0161 429 PHE A CD2 2910 C CE1 . PHE A 406 ? 0.1850 0.1401 0.1978 0.0434 0.0014 0.0112 429 PHE A CE1 2911 C CE2 . PHE A 406 ? 0.2521 0.1759 0.2319 0.0536 0.0050 0.0150 429 PHE A CE2 2912 C CZ . PHE A 406 ? 0.2276 0.1628 0.2211 0.0492 0.0030 0.0116 429 PHE A CZ 2913 N N . ALA A 407 ? 0.2749 0.2149 0.2939 0.0274 0.0342 0.0096 430 ALA A N 2914 C CA . ALA A 407 ? 0.2505 0.1731 0.2527 0.0218 0.0452 0.0104 430 ALA A CA 2915 C C . ALA A 407 ? 0.3039 0.2295 0.3212 0.0114 0.0533 0.0076 430 ALA A C 2916 O O . ALA A 407 ? 0.3037 0.2121 0.3069 0.0053 0.0598 0.0096 430 ALA A O 2917 C CB . ALA A 407 ? 0.2262 0.1473 0.2191 0.0219 0.0520 0.0086 430 ALA A CB 2918 N N . ASN A 408 ? 0.2552 0.2021 0.3018 0.0092 0.0524 0.0033 431 ASN A N 2919 C CA . ASN A 408 ? 0.2900 0.2458 0.3560 -0.0006 0.0609 -0.0009 431 ASN A CA 2920 C C . ASN A 408 ? 0.1989 0.1575 0.2737 -0.0055 0.0554 -0.0009 431 ASN A C 2921 O O . ASN A 408 ? 0.2619 0.2406 0.3624 -0.0072 0.0502 -0.0035 431 ASN A O 2922 C CB . ASN A 408 ? 0.2676 0.2460 0.3632 0.0009 0.0616 -0.0059 431 ASN A CB 2923 C CG . ASN A 408 ? 0.2479 0.2395 0.3667 -0.0085 0.0710 -0.0114 431 ASN A CG 2924 O OD1 . ASN A 408 ? 0.2802 0.2614 0.3880 -0.0179 0.0815 -0.0118 431 ASN A OD1 2925 N ND2 . ASN A 408 ? 0.1725 0.1869 0.3241 -0.0062 0.0669 -0.0151 431 ASN A ND2 2926 N N . ASN A 409 ? 0.2268 0.1642 0.2791 -0.0074 0.0560 0.0019 432 ASN A N 2927 C CA . ASN A 409 ? 0.2514 0.1875 0.3090 -0.0139 0.0531 -0.0001 432 ASN A CA 2928 C C . ASN A 409 ? 0.2867 0.1923 0.3177 -0.0177 0.0589 0.0026 432 ASN A C 2929 O O . ASN A 409 ? 0.3253 0.2131 0.3327 -0.0093 0.0567 0.0074 432 ASN A O 2930 C CB . ASN A 409 ? 0.2132 0.1601 0.2757 -0.0070 0.0391 -0.0002 432 ASN A CB 2931 C CG . ASN A 409 ? 0.2863 0.2400 0.3602 -0.0152 0.0356 -0.0047 432 ASN A CG 2932 O OD1 . ASN A 409 ? 0.2996 0.2343 0.3604 -0.0206 0.0389 -0.0065 432 ASN A OD1 2933 N ND2 . ASN A 409 ? 0.1955 0.1752 0.2935 -0.0165 0.0284 -0.0066 432 ASN A ND2 2934 N N . ILE A 410 ? 0.2937 0.1931 0.3292 -0.0302 0.0654 -0.0003 433 ILE A N 2935 C CA . ILE A 410 ? 0.3284 0.1947 0.3389 -0.0350 0.0711 0.0030 433 ILE A CA 2936 C C . ILE A 410 ? 0.3208 0.1705 0.3153 -0.0250 0.0610 0.0041 433 ILE A C 2937 O O . ILE A 410 ? 0.3269 0.1459 0.2970 -0.0229 0.0633 0.0089 433 ILE A O 2938 C CB . ILE A 410 ? 0.3625 0.2255 0.3833 -0.0523 0.0794 -0.0014 433 ILE A CB 2939 C CG1 . ILE A 410 ? 0.3546 0.1797 0.3479 -0.0596 0.0889 0.0042 433 ILE A CG1 2940 C CG2 . ILE A 410 ? 0.3019 0.1733 0.3366 -0.0552 0.0703 -0.0084 433 ILE A CG2 2941 C CD1 . ILE A 410 ? 0.4542 0.2666 0.4267 -0.0586 0.0982 0.0121 433 ILE A CD1 2942 N N . ARG A 411 ? 0.2770 0.1461 0.2847 -0.0189 0.0502 -0.0001 434 ARG A N 2943 C CA . ARG A 411 ? 0.3548 0.2122 0.3496 -0.0095 0.0419 -0.0011 434 ARG A CA 2944 C C . ARG A 411 ? 0.3392 0.1914 0.3183 0.0054 0.0374 0.0046 434 ARG A C 2945 O O . ARG A 411 ? 0.3109 0.1492 0.2767 0.0146 0.0323 0.0045 434 ARG A O 2946 C CB . ARG A 411 ? 0.3692 0.2518 0.3818 -0.0097 0.0328 -0.0078 434 ARG A CB 2947 C CG . ARG A 411 ? 0.3334 0.2244 0.3625 -0.0246 0.0350 -0.0145 434 ARG A CG 2948 C CD . ARG A 411 ? 0.3102 0.2317 0.3574 -0.0251 0.0250 -0.0191 434 ARG A CD 2949 N NE . ARG A 411 ? 0.2723 0.2050 0.3368 -0.0394 0.0261 -0.0252 434 ARG A NE 2950 C CZ . ARG A 411 ? 0.3052 0.2663 0.3881 -0.0431 0.0175 -0.0287 434 ARG A CZ 2951 N NH1 . ARG A 411 ? 0.2265 0.2060 0.3116 -0.0342 0.0079 -0.0258 434 ARG A NH1 2952 N NH2 . ARG A 411 ? 0.2780 0.2494 0.3768 -0.0566 0.0183 -0.0348 434 ARG A NH2 2953 N N . ILE A 412 ? 0.3123 0.1773 0.2947 0.0079 0.0389 0.0083 435 ILE A N 2954 C CA . ILE A 412 ? 0.2689 0.1315 0.2375 0.0202 0.0346 0.0131 435 ILE A CA 2955 C C . ILE A 412 ? 0.2999 0.1332 0.2433 0.0204 0.0407 0.0195 435 ILE A C 2956 O O . ILE A 412 ? 0.3261 0.1570 0.2649 0.0143 0.0490 0.0223 435 ILE A O 2957 C CB . ILE A 412 ? 0.2567 0.1427 0.2383 0.0216 0.0337 0.0133 435 ILE A CB 2958 C CG1 . ILE A 412 ? 0.2193 0.1317 0.2239 0.0218 0.0262 0.0094 435 ILE A CG1 2959 C CG2 . ILE A 412 ? 0.2500 0.1311 0.2145 0.0324 0.0300 0.0177 435 ILE A CG2 2960 C CD1 . ILE A 412 ? 0.2058 0.1381 0.2256 0.0229 0.0248 0.0097 435 ILE A CD1 2961 N N . ASP A 413 ? 0.3519 0.1626 0.2788 0.0275 0.0369 0.0216 436 ASP A N 2962 C CA . ASP A 413 ? 0.3821 0.1617 0.2823 0.0296 0.0403 0.0298 436 ASP A CA 2963 C C . ASP A 413 ? 0.3776 0.1635 0.2665 0.0345 0.0399 0.0353 436 ASP A C 2964 O O . ASP A 413 ? 0.3256 0.1341 0.2236 0.0422 0.0330 0.0329 436 ASP A O 2965 C CB . ASP A 413 ? 0.3834 0.1432 0.2719 0.0418 0.0324 0.0307 436 ASP A CB 2966 C CG . ASP A 413 ? 0.4107 0.1637 0.3092 0.0368 0.0330 0.0232 436 ASP A CG 2967 O OD1 . ASP A 413 ? 0.4373 0.1652 0.3284 0.0262 0.0404 0.0247 436 ASP A OD1 2968 O OD2 . ASP A 413 ? 0.4502 0.2232 0.3631 0.0424 0.0264 0.0156 436 ASP A OD2 2969 N N . LYS A 414 ? 0.4153 0.1803 0.2827 0.0290 0.0476 0.0426 437 LYS A N 2970 C CA . LYS A 414 ? 0.4275 0.1994 0.2823 0.0317 0.0483 0.0463 437 LYS A CA 2971 C C . LYS A 414 ? 0.4084 0.1817 0.2523 0.0479 0.0354 0.0494 437 LYS A C 2972 O O . LYS A 414 ? 0.4259 0.2202 0.2742 0.0520 0.0315 0.0469 437 LYS A O 2973 C CB . LYS A 414 ? 0.4633 0.2111 0.2923 0.0223 0.0589 0.0543 437 LYS A CB 2974 C CG . LYS A 414 ? 0.4109 0.1711 0.2522 0.0061 0.0735 0.0496 437 LYS A CG 2975 C CD . LYS A 414 ? 0.5717 0.3021 0.3879 -0.0060 0.0852 0.0580 437 LYS A CD 2976 C CE . LYS A 414 ? 0.7146 0.4566 0.5297 -0.0189 0.1001 0.0558 437 LYS A CE 2977 N NZ . LYS A 414 ? 0.7811 0.5469 0.6306 -0.0298 0.1084 0.0453 437 LYS A NZ 2978 N N . VAL A 415 ? 0.4212 0.1727 0.2523 0.0573 0.0285 0.0542 438 VAL A N 2979 C CA . VAL A 415 ? 0.4277 0.1821 0.2505 0.0737 0.0157 0.0570 438 VAL A CA 2980 C C . VAL A 415 ? 0.3736 0.1574 0.2229 0.0805 0.0083 0.0476 438 VAL A C 2981 O O . VAL A 415 ? 0.3871 0.1702 0.2493 0.0815 0.0075 0.0425 438 VAL A O 2982 C CB . VAL A 415 ? 0.4870 0.2151 0.2944 0.0812 0.0103 0.0631 438 VAL A CB 2983 C CG1 . VAL A 415 ? 0.4320 0.1773 0.2423 0.0959 -0.0035 0.0623 438 VAL A CG1 2984 C CG2 . VAL A 415 ? 0.4735 0.1761 0.2550 0.0728 0.0169 0.0731 438 VAL A CG2 2985 N N . ASN A 416 ? 0.3926 0.2012 0.2480 0.0845 0.0031 0.0453 439 ASN A N 2986 C CA . ASN A 416 ? 0.3670 0.2035 0.2440 0.0908 -0.0044 0.0383 439 ASN A CA 2987 C C . ASN A 416 ? 0.4345 0.2798 0.3042 0.1038 -0.0155 0.0403 439 ASN A C 2988 O O . ASN A 416 ? 0.4195 0.2605 0.2722 0.1046 -0.0171 0.0452 439 ASN A O 2989 C CB . ASN A 416 ? 0.2865 0.1475 0.1825 0.0812 -0.0004 0.0329 439 ASN A CB 2990 C CG . ASN A 416 ? 0.3243 0.1841 0.2338 0.0701 0.0077 0.0296 439 ASN A CG 2991 O OD1 . ASN A 416 ? 0.2997 0.1731 0.2266 0.0694 0.0054 0.0247 439 ASN A OD1 2992 N ND2 . ASN A 416 ? 0.2940 0.1388 0.1949 0.0606 0.0174 0.0322 439 ASN A ND2 2993 N N . LEU A 417 ? 0.3544 0.2187 0.2407 0.1100 -0.0221 0.0345 440 LEU A N 2994 C CA . LEU A 417 ? 0.3457 0.2312 0.2367 0.1167 -0.0311 0.0325 440 LEU A CA 2995 C C . LEU A 417 ? 0.3327 0.2492 0.2444 0.1141 -0.0330 0.0261 440 LEU A C 2996 O O . LEU A 417 ? 0.2927 0.2187 0.2196 0.1120 -0.0309 0.0214 440 LEU A O 2997 C CB . LEU A 417 ? 0.3140 0.1968 0.2082 0.1250 -0.0358 0.0307 440 LEU A CB 2998 C CG . LEU A 417 ? 0.4496 0.3080 0.3250 0.1305 -0.0387 0.0380 440 LEU A CG 2999 C CD1 . LEU A 417 ? 0.4800 0.3074 0.3351 0.1235 -0.0313 0.0455 440 LEU A CD1 3000 C CD2 . LEU A 417 ? 0.4743 0.3277 0.3570 0.1394 -0.0422 0.0353 440 LEU A CD2 3001 N N . MET A 418 ? 0.3026 0.2338 0.2139 0.1135 -0.0370 0.0260 441 MET A N 3002 C CA . MET A 418 ? 0.2745 0.2349 0.2056 0.1104 -0.0398 0.0204 441 MET A CA 3003 C C . MET A 418 ? 0.3164 0.2937 0.2543 0.1158 -0.0465 0.0172 441 MET A C 3004 O O . MET A 418 ? 0.3015 0.2779 0.2293 0.1201 -0.0519 0.0191 441 MET A O 3005 C CB . MET A 418 ? 0.3250 0.2913 0.2539 0.1063 -0.0403 0.0209 441 MET A CB 3006 C CG . MET A 418 ? 0.4722 0.4283 0.4037 0.0957 -0.0306 0.0211 441 MET A CG 3007 S SD . MET A 418 ? 0.5130 0.4852 0.4705 0.0891 -0.0278 0.0176 441 MET A SD 3008 C CE . MET A 418 ? 0.5946 0.5937 0.5673 0.0859 -0.0338 0.0144 441 MET A CE 3009 N N . VAL A 419 ? 0.2388 0.2318 0.1928 0.1162 -0.0463 0.0123 442 VAL A N 3010 C CA . VAL A 419 ? 0.2590 0.2666 0.2202 0.1229 -0.0512 0.0086 442 VAL A CA 3011 C C . VAL A 419 ? 0.2797 0.3165 0.2559 0.1182 -0.0538 0.0046 442 VAL A C 3012 O O . VAL A 419 ? 0.2550 0.3028 0.2410 0.1099 -0.0508 0.0034 442 VAL A O 3013 C CB . VAL A 419 ? 0.3183 0.3232 0.2853 0.1281 -0.0487 0.0047 442 VAL A CB 3014 C CG1 . VAL A 419 ? 0.3280 0.3501 0.3047 0.1367 -0.0534 -0.0002 442 VAL A CG1 3015 C CG2 . VAL A 419 ? 0.2828 0.2561 0.2349 0.1321 -0.0464 0.0089 442 VAL A CG2 3016 N N . ASP A 420 ? 0.3017 0.3504 0.2797 0.1229 -0.0600 0.0032 443 ASP A N 3017 C CA . ASP A 420 ? 0.2647 0.3416 0.2579 0.1183 -0.0626 -0.0010 443 ASP A CA 3018 C C . ASP A 420 ? 0.2680 0.3620 0.2764 0.1164 -0.0585 -0.0058 443 ASP A C 3019 O O . ASP A 420 ? 0.2112 0.3000 0.2198 0.1231 -0.0563 -0.0080 443 ASP A O 3020 C CB . ASP A 420 ? 0.2540 0.3418 0.2482 0.1251 -0.0702 -0.0022 443 ASP A CB 3021 C CG . ASP A 420 ? 0.3161 0.3933 0.2950 0.1255 -0.0756 0.0020 443 ASP A CG 3022 O OD1 . ASP A 420 ? 0.4412 0.5050 0.4095 0.1201 -0.0729 0.0048 443 ASP A OD1 3023 O OD2 . ASP A 420 ? 0.4114 0.4946 0.3884 0.1318 -0.0829 0.0023 443 ASP A OD2 3024 N N . ARG A 421 ? 0.2802 0.3949 0.3008 0.1071 -0.0577 -0.0076 444 ARG A N 3025 C CA . ARG A 421 ? 0.3222 0.4560 0.3556 0.1042 -0.0538 -0.0117 444 ARG A CA 3026 C C . ARG A 421 ? 0.2591 0.4072 0.2993 0.1138 -0.0553 -0.0176 444 ARG A C 3027 O O . ARG A 421 ? 0.2172 0.3718 0.2593 0.1189 -0.0608 -0.0186 444 ARG A O 3028 C CB . ARG A 421 ? 0.3981 0.5512 0.4427 0.0918 -0.0533 -0.0112 444 ARG A CB 3029 C CG . ARG A 421 ? 0.3904 0.5586 0.4411 0.0895 -0.0587 -0.0129 444 ARG A CG 3030 C CD . ARG A 421 ? 0.4156 0.6000 0.4775 0.0758 -0.0582 -0.0121 444 ARG A CD 3031 N NE . ARG A 421 ? 0.4452 0.6483 0.5172 0.0709 -0.0531 -0.0137 444 ARG A NE 3032 C CZ . ARG A 421 ? 0.3427 0.5722 0.4266 0.0687 -0.0525 -0.0183 444 ARG A CZ 3033 N NH1 . ARG A 421 ? 0.3224 0.5633 0.4119 0.0710 -0.0573 -0.0218 444 ARG A NH1 3034 N NH2 . ARG A 421 ? 0.2577 0.5039 0.3478 0.0639 -0.0468 -0.0196 444 ARG A NH2 3035 N N . GLN A 422 ? 0.2067 0.3595 0.2506 0.1174 -0.0509 -0.0220 445 GLN A N 3036 C CA . GLN A 422 ? 0.2778 0.4458 0.3303 0.1271 -0.0510 -0.0295 445 GLN A CA 3037 C C . GLN A 422 ? 0.3006 0.4470 0.3450 0.1409 -0.0543 -0.0296 445 GLN A C 3038 O O . GLN A 422 ? 0.2886 0.4442 0.3409 0.1508 -0.0546 -0.0362 445 GLN A O 3039 C CB . GLN A 422 ? 0.2534 0.4501 0.3196 0.1252 -0.0539 -0.0330 445 GLN A CB 3040 C CG . GLN A 422 ? 0.2166 0.4340 0.2911 0.1105 -0.0504 -0.0323 445 GLN A CG 3041 C CD . GLN A 422 ? 0.2750 0.5248 0.3654 0.1085 -0.0509 -0.0380 445 GLN A CD 3042 O OE1 . GLN A 422 ? 0.2770 0.5331 0.3724 0.1174 -0.0557 -0.0412 445 GLN A OE1 3043 N NE2 . GLN A 422 ? 0.2142 0.4854 0.3129 0.0964 -0.0459 -0.0389 445 GLN A NE2 3044 N N . TRP A 423 ? 0.2973 0.4155 0.3270 0.1417 -0.0564 -0.0225 446 TRP A N 3045 C CA . TRP A 423 ? 0.2370 0.3306 0.2568 0.1531 -0.0592 -0.0204 446 TRP A CA 3046 C C . TRP A 423 ? 0.3143 0.3825 0.3240 0.1526 -0.0542 -0.0190 446 TRP A C 3047 O O . TRP A 423 ? 0.2943 0.3620 0.3028 0.1434 -0.0495 -0.0182 446 TRP A O 3048 C CB . TRP A 423 ? 0.2490 0.3294 0.2574 0.1543 -0.0656 -0.0129 446 TRP A CB 3049 C CG . TRP A 423 ? 0.2651 0.3669 0.2830 0.1586 -0.0723 -0.0148 446 TRP A CG 3050 C CD1 . TRP A 423 ? 0.2585 0.3876 0.2881 0.1511 -0.0733 -0.0178 446 TRP A CD1 3051 C CD2 . TRP A 423 ? 0.2791 0.3776 0.2968 0.1713 -0.0796 -0.0137 446 TRP A CD2 3052 N NE1 . TRP A 423 ? 0.2781 0.4225 0.3154 0.1582 -0.0806 -0.0194 446 TRP A NE1 3053 C CE2 . TRP A 423 ? 0.2961 0.4227 0.3265 0.1711 -0.0850 -0.0167 446 TRP A CE2 3054 C CE3 . TRP A 423 ? 0.3050 0.3792 0.3139 0.1826 -0.0825 -0.0100 446 TRP A CE3 3055 C CZ2 . TRP A 423 ? 0.2979 0.4310 0.3331 0.1826 -0.0937 -0.0163 446 TRP A CZ2 3056 C CZ3 . TRP A 423 ? 0.3277 0.4064 0.3407 0.1944 -0.0912 -0.0087 446 TRP A CZ3 3057 C CH2 . TRP A 423 ? 0.4191 0.5281 0.4456 0.1946 -0.0970 -0.0120 446 TRP A CH2 3058 N N . LEU A 424 ? 0.3636 0.4100 0.3669 0.1627 -0.0556 -0.0184 447 LEU A N 3059 C CA . LEU A 424 ? 0.3104 0.3281 0.3029 0.1624 -0.0513 -0.0167 447 LEU A CA 3060 C C . LEU A 424 ? 0.3564 0.3443 0.3344 0.1681 -0.0550 -0.0087 447 LEU A C 3061 O O . LEU A 424 ? 0.3158 0.3055 0.2951 0.1770 -0.0612 -0.0072 447 LEU A O 3062 C CB . LEU A 424 ? 0.2783 0.2976 0.2788 0.1683 -0.0473 -0.0262 447 LEU A CB 3063 C CG . LEU A 424 ? 0.3031 0.3546 0.3176 0.1646 -0.0434 -0.0355 447 LEU A CG 3064 C CD1 . LEU A 424 ? 0.2816 0.3326 0.3019 0.1718 -0.0391 -0.0465 447 LEU A CD1 3065 C CD2 . LEU A 424 ? 0.3054 0.3622 0.3174 0.1520 -0.0398 -0.0327 447 LEU A CD2 3066 N N . ALA A 425 ? 0.3678 0.3288 0.3320 0.1629 -0.0514 -0.0033 448 ALA A N 3067 C CA . ALA A 425 ? 0.3964 0.3266 0.3447 0.1670 -0.0537 0.0050 448 ALA A CA 3068 C C . ALA A 425 ? 0.3652 0.2694 0.3106 0.1694 -0.0491 0.0027 448 ALA A C 3069 O O . ALA A 425 ? 0.3837 0.2823 0.3288 0.1617 -0.0427 -0.0002 448 ALA A O 3070 C CB . ALA A 425 ? 0.3313 0.2505 0.2643 0.1581 -0.0528 0.0136 448 ALA A CB 3071 N N . VAL A 426 ? 0.4163 0.3057 0.3613 0.1802 -0.0526 0.0032 449 VAL A N 3072 C CA . VAL A 426 ? 0.4002 0.2674 0.3467 0.1842 -0.0486 -0.0017 449 VAL A CA 3073 C C . VAL A 426 ? 0.4593 0.2932 0.3931 0.1902 -0.0522 0.0077 449 VAL A C 3074 O O . VAL A 426 ? 0.5019 0.3348 0.4273 0.1932 -0.0586 0.0169 449 VAL A O 3075 C CB . VAL A 426 ? 0.4076 0.2954 0.3730 0.1934 -0.0485 -0.0143 449 VAL A CB 3076 C CG1 . VAL A 426 ? 0.3615 0.2860 0.3385 0.1873 -0.0459 -0.0220 449 VAL A CG1 3077 C CG2 . VAL A 426 ? 0.4345 0.3282 0.4067 0.2071 -0.0562 -0.0128 449 VAL A CG2 3078 N N . ARG A 427 ? 0.4624 0.2681 0.3942 0.1914 -0.0482 0.0055 450 ARG A N 3079 C CA . ARG A 427 ? 0.5999 0.3701 0.5184 0.1952 -0.0509 0.0158 450 ARG A CA 3080 C C . ARG A 427 ? 0.5484 0.3203 0.4741 0.2115 -0.0596 0.0178 450 ARG A C 3081 O O . ARG A 427 ? 0.5465 0.3097 0.4607 0.2150 -0.0664 0.0296 450 ARG A O 3082 C CB . ARG A 427 ? 0.6205 0.3585 0.5359 0.1905 -0.0438 0.0125 450 ARG A CB 3083 C CG . ARG A 427 ? 0.6800 0.4019 0.5796 0.1744 -0.0376 0.0187 450 ARG A CG 3084 C CD . ARG A 427 ? 0.7235 0.4400 0.6292 0.1657 -0.0293 0.0079 450 ARG A CD 3085 N NE . ARG A 427 ? 0.7608 0.4620 0.6760 0.1734 -0.0282 -0.0013 450 ARG A NE 3086 C CZ . ARG A 427 ? 0.9045 0.5697 0.8132 0.1749 -0.0279 0.0034 450 ARG A CZ 3087 N NH1 . ARG A 427 ? 0.9589 0.6120 0.8787 0.1824 -0.0264 -0.0070 450 ARG A NH1 3088 N NH2 . ARG A 427 ? 0.9480 0.5890 0.8389 0.1688 -0.0288 0.0181 450 ARG A NH2 3089 N N . ASN A 428 ? 0.5630 0.3455 0.5072 0.2218 -0.0593 0.0063 451 ASN A N 3090 C CA . ASN A 428 ? 0.5590 0.3395 0.5125 0.2385 -0.0668 0.0075 451 ASN A CA 3091 C C . ASN A 428 ? 0.5408 0.3581 0.5174 0.2473 -0.0673 -0.0061 451 ASN A C 3092 O O . ASN A 428 ? 0.5089 0.3503 0.4932 0.2403 -0.0613 -0.0165 451 ASN A O 3097 N N . LYS A 429 ? 0.5644 0.3859 0.5524 0.2632 -0.0745 -0.0057 452 LYS A N 3098 C CA . LYS A 429 ? 0.6087 0.4679 0.6192 0.2723 -0.0758 -0.0174 452 LYS A CA 3099 C C . LYS A 429 ? 0.5528 0.4147 0.5782 0.2763 -0.0672 -0.0337 452 LYS A C 3100 O O . LYS A 429 ? 0.5411 0.4360 0.5850 0.2824 -0.0662 -0.0450 452 LYS A O 3101 C CB . LYS A 429 ? 0.6388 0.5021 0.6578 0.2886 -0.0867 -0.0116 452 LYS A CB 3102 C CG . LYS A 429 ? 0.6755 0.5342 0.6778 0.2850 -0.0956 0.0043 452 LYS A CG 3103 C CD . LYS A 429 ? 0.7343 0.6187 0.7501 0.2979 -0.1066 0.0060 452 LYS A CD 3104 C CE . LYS A 429 ? 0.7199 0.5894 0.7172 0.2982 -0.1169 0.0232 452 LYS A CE 3105 N NZ . LYS A 429 ? 0.8070 0.7128 0.8117 0.2996 -0.1253 0.0236 452 LYS A NZ 3106 N N . LYS A 430 ? 0.6096 0.4387 0.6274 0.2723 -0.0604 -0.0359 453 LYS A N 3107 C CA . LYS A 430 ? 0.5763 0.4092 0.6048 0.2722 -0.0507 -0.0529 453 LYS A CA 3108 C C . LYS A 430 ? 0.5492 0.4074 0.5757 0.2576 -0.0439 -0.0607 453 LYS A C 3109 O O . LYS A 430 ? 0.5539 0.4198 0.5878 0.2564 -0.0359 -0.0756 453 LYS A O 3110 C CB . LYS A 430 ? 0.6289 0.4170 0.6495 0.2713 -0.0456 -0.0535 453 LYS A CB 3111 C CG . LYS A 430 ? 0.6570 0.4170 0.6807 0.2864 -0.0516 -0.0465 453 LYS A CG 3112 C CD . LYS A 430 ? 0.6903 0.4179 0.7163 0.2880 -0.0437 -0.0561 453 LYS A CD 3113 C CE . LYS A 430 ? 0.8777 0.5830 0.9132 0.3063 -0.0487 -0.0529 453 LYS A CE 3114 N NZ . LYS A 430 ? 0.9651 0.6226 0.9849 0.3019 -0.0499 -0.0400 453 LYS A NZ 3115 N N . TYR A 431 ? 0.5114 0.3810 0.5273 0.2462 -0.0465 -0.0513 454 TYR A N 3116 C CA . TYR A 431 ? 0.5350 0.4262 0.5495 0.2328 -0.0404 -0.0578 454 TYR A CA 3117 C C . TYR A 431 ? 0.5831 0.5134 0.6153 0.2366 -0.0372 -0.0721 454 TYR A C 3118 O O . TYR A 431 ? 0.5341 0.4891 0.5786 0.2450 -0.0421 -0.0726 454 TYR A O 3119 C CB . TYR A 431 ? 0.4495 0.3510 0.4537 0.2225 -0.0442 -0.0459 454 TYR A CB 3120 C CG . TYR A 431 ? 0.4709 0.3905 0.4730 0.2089 -0.0388 -0.0498 454 TYR A CG 3121 C CD1 . TYR A 431 ? 0.4213 0.3178 0.4107 0.1982 -0.0341 -0.0475 454 TYR A CD1 3122 C CD2 . TYR A 431 ? 0.4698 0.4294 0.4827 0.2063 -0.0388 -0.0551 454 TYR A CD2 3123 C CE1 . TYR A 431 ? 0.5045 0.4176 0.4927 0.1868 -0.0302 -0.0501 454 TYR A CE1 3124 C CE2 . TYR A 431 ? 0.3801 0.3555 0.3911 0.1941 -0.0345 -0.0571 454 TYR A CE2 3125 C CZ . TYR A 431 ? 0.4847 0.4369 0.4835 0.1852 -0.0307 -0.0545 454 TYR A CZ 3126 O OH . TYR A 431 ? 0.4873 0.4555 0.4853 0.1743 -0.0273 -0.0561 454 TYR A OH 3127 N N . LYS A 432 ? 0.6248 0.5618 0.6578 0.2296 -0.0289 -0.0841 455 LYS A N 3128 C CA . LYS A 432 ? 0.6445 0.6144 0.6928 0.2333 -0.0240 -0.0996 455 LYS A CA 3129 C C . LYS A 432 ? 0.5881 0.5944 0.6376 0.2212 -0.0208 -0.1033 455 LYS A C 3130 O O . LYS A 432 ? 0.5747 0.6151 0.6374 0.2233 -0.0180 -0.1133 455 LYS A O 3131 C CB . LYS A 432 ? 0.6840 0.6353 0.7335 0.2365 -0.0160 -0.1140 455 LYS A CB 3132 C CG . LYS A 432 ? 0.7484 0.7269 0.8154 0.2461 -0.0117 -0.1295 455 LYS A CG 3133 C CD . LYS A 432 ? 0.8503 0.8047 0.9182 0.2516 -0.0040 -0.1437 455 LYS A CD 3134 C CE . LYS A 432 ? 0.8650 0.8512 0.9411 0.2496 0.0052 -0.1631 455 LYS A CE 3135 N NZ . LYS A 432 ? 0.8483 0.8326 0.9098 0.2335 0.0118 -0.1700 455 LYS A NZ 3136 N N . TYR A 433 ? 0.5595 0.5605 0.5965 0.2086 -0.0211 -0.0952 456 TYR A N 3137 C CA . TYR A 433 ? 0.4927 0.5255 0.5307 0.1971 -0.0175 -0.0990 456 TYR A CA 3138 C C . TYR A 433 ? 0.4722 0.5308 0.5146 0.1937 -0.0230 -0.0893 456 TYR A C 3139 O O . TYR A 433 ? 0.4682 0.5301 0.5038 0.1834 -0.0241 -0.0813 456 TYR A O 3140 C CB . TYR A 433 ? 0.4998 0.5146 0.5241 0.1858 -0.0143 -0.0974 456 TYR A CB 3141 C CG . TYR A 433 ? 0.6394 0.6228 0.6575 0.1874 -0.0096 -0.1061 456 TYR A CG 3142 C CD1 . TYR A 433 ? 0.7024 0.6969 0.7252 0.1882 -0.0027 -0.1232 456 TYR A CD1 3143 C CD2 . TYR A 433 ? 0.7003 0.6427 0.7072 0.1866 -0.0113 -0.0976 456 TYR A CD2 3144 C CE1 . TYR A 433 ? 0.7808 0.7450 0.7975 0.1885 0.0019 -0.1322 456 TYR A CE1 3145 C CE2 . TYR A 433 ? 0.8068 0.7187 0.8083 0.1864 -0.0067 -0.1058 456 TYR A CE2 3146 C CZ . TYR A 433 ? 0.8921 0.8143 0.8986 0.1874 -0.0002 -0.1235 456 TYR A CZ 3147 O OH . TYR A 433 ? 0.9411 0.8314 0.9419 0.1861 0.0048 -0.1326 456 TYR A OH 3148 N N . CYS A 434 ? 0.3948 0.4725 0.4500 0.2022 -0.0263 -0.0910 457 CYS A N 3149 C CA . CYS A 434 ? 0.4107 0.5069 0.4691 0.1993 -0.0324 -0.0818 457 CYS A CA 3150 C C . CYS A 434 ? 0.3734 0.5135 0.4470 0.1964 -0.0302 -0.0891 457 CYS A C 3151 O O . CYS A 434 ? 0.4105 0.5673 0.4894 0.1947 -0.0351 -0.0835 457 CYS A O 3152 C CB . CYS A 434 ? 0.4204 0.4984 0.4782 0.2101 -0.0405 -0.0738 457 CYS A CB 3153 S SG . CYS A 434 ? 0.4822 0.5480 0.5506 0.2281 -0.0404 -0.0828 457 CYS A SG 3154 N N . SER A 435 ? 0.2931 0.4530 0.3732 0.1945 -0.0225 -0.1018 458 SER A N 3155 C CA . SER A 435 ? 0.3379 0.5406 0.4314 0.1895 -0.0192 -0.1081 458 SER A CA 3156 C C . SER A 435 ? 0.2769 0.4992 0.3653 0.1737 -0.0131 -0.1089 458 SER A C 3157 O O . SER A 435 ? 0.3441 0.5515 0.4215 0.1692 -0.0095 -0.1103 458 SER A O 3158 C CB . SER A 435 ? 0.5233 0.7410 0.6309 0.1999 -0.0146 -0.1227 458 SER A CB 3159 O OG . SER A 435 ? 0.6368 0.8427 0.7385 0.1999 -0.0073 -0.1328 458 SER A OG 3160 N N . GLY A 436 ? 0.2941 0.5494 0.3903 0.1647 -0.0122 -0.1074 459 GLY A N 3161 C CA . GLY A 436 ? 0.2610 0.5380 0.3532 0.1486 -0.0066 -0.1062 459 GLY A CA 3162 C C . GLY A 436 ? 0.2267 0.4929 0.3110 0.1393 -0.0115 -0.0915 459 GLY A C 3163 O O . GLY A 436 ? 0.1981 0.4683 0.2870 0.1375 -0.0166 -0.0842 459 GLY A O 3164 N N . GLY A 437 ? 0.1966 0.4499 0.2699 0.1333 -0.0097 -0.0882 460 GLY A N 3165 C CA . GLY A 437 ? 0.1992 0.4447 0.2672 0.1240 -0.0135 -0.0748 460 GLY A CA 3166 C C . GLY A 437 ? 0.2606 0.4743 0.3170 0.1262 -0.0150 -0.0709 460 GLY A C 3167 O O . GLY A 437 ? 0.2446 0.4468 0.2957 0.1313 -0.0113 -0.0797 460 GLY A O 3168 N N . THR A 438 ? 0.1684 0.3667 0.2206 0.1213 -0.0201 -0.0585 461 THR A N 3169 C CA . THR A 438 ? 0.1932 0.3645 0.2355 0.1205 -0.0209 -0.0540 461 THR A CA 3170 C C . THR A 438 ? 0.1531 0.3192 0.1930 0.1076 -0.0244 -0.0403 461 THR A C 3171 O O . THR A 438 ? 0.1880 0.3737 0.2356 0.1021 -0.0265 -0.0357 461 THR A O 3172 C CB . THR A 438 ? 0.3127 0.4474 0.3468 0.1325 -0.0233 -0.0546 461 THR A CB 3173 O OG1 . THR A 438 ? 0.4319 0.5424 0.4560 0.1290 -0.0211 -0.0546 461 THR A OG1 3174 C CG2 . THR A 438 ? 0.2991 0.4165 0.3291 0.1323 -0.0291 -0.0436 461 THR A CG2 3175 N N . HIS A 439 ? 0.1719 0.3108 0.2020 0.1023 -0.0247 -0.0348 462 HIS A N 3176 C CA . HIS A 439 ? 0.1518 0.2829 0.1809 0.0920 -0.0274 -0.0233 462 HIS A CA 3177 C C . HIS A 439 ? 0.1973 0.2944 0.2173 0.0947 -0.0278 -0.0200 462 HIS A C 3178 O O . HIS A 439 ? 0.2377 0.3172 0.2514 0.1020 -0.0259 -0.0257 462 HIS A O 3179 C CB . HIS A 439 ? 0.1428 0.2882 0.1730 0.0765 -0.0260 -0.0192 462 HIS A CB 3180 C CG . HIS A 439 ? 0.2159 0.3574 0.2391 0.0731 -0.0227 -0.0250 462 HIS A CG 3181 N ND1 . HIS A 439 ? 0.2554 0.3752 0.2730 0.0685 -0.0231 -0.0222 462 HIS A ND1 3182 C CD2 . HIS A 439 ? 0.1705 0.3271 0.1916 0.0741 -0.0186 -0.0352 462 HIS A CD2 3183 C CE1 . HIS A 439 ? 0.1638 0.2855 0.1757 0.0658 -0.0204 -0.0300 462 HIS A CE1 3184 N NE2 . HIS A 439 ? 0.1679 0.3111 0.1808 0.0692 -0.0174 -0.0383 462 HIS A NE2 3185 N N . GLY A 440 ? 0.2257 0.3132 0.2453 0.0879 -0.0296 -0.0112 463 GLY A N 3186 C CA . GLY A 440 ? 0.2483 0.3067 0.2599 0.0889 -0.0287 -0.0077 463 GLY A CA 3187 C C . GLY A 440 ? 0.2604 0.3127 0.2712 0.0889 -0.0312 -0.0012 463 GLY A C 3188 O O . GLY A 440 ? 0.1976 0.2315 0.2040 0.0851 -0.0293 0.0029 463 GLY A O 3189 N N . TYR A 441 ? 0.1906 0.2609 0.2067 0.0918 -0.0349 -0.0013 464 TYR A N 3190 C CA . TYR A 441 ? 0.2347 0.2988 0.2480 0.0898 -0.0368 0.0024 464 TYR A CA 3191 C C . TYR A 441 ? 0.1996 0.2613 0.2171 0.0813 -0.0366 0.0076 464 TYR A C 3192 O O . TYR A 441 ? 0.1903 0.2572 0.2147 0.0733 -0.0350 0.0094 464 TYR A O 3193 C CB . TYR A 441 ? 0.1401 0.2254 0.1604 0.0889 -0.0396 0.0000 464 TYR A CB 3194 C CG . TYR A 441 ? 0.1783 0.2707 0.1986 0.0981 -0.0401 -0.0059 464 TYR A CG 3195 C CD1 . TYR A 441 ? 0.2158 0.2955 0.2279 0.1066 -0.0428 -0.0063 464 TYR A CD1 3196 C CD2 . TYR A 441 ? 0.2068 0.3201 0.2353 0.0985 -0.0383 -0.0112 464 TYR A CD2 3197 C CE1 . TYR A 441 ? 0.2388 0.3247 0.2531 0.1159 -0.0440 -0.0116 464 TYR A CE1 3198 C CE2 . TYR A 441 ? 0.1771 0.2981 0.2076 0.1081 -0.0384 -0.0181 464 TYR A CE2 3199 C CZ . TYR A 441 ? 0.2409 0.3475 0.2652 0.1170 -0.0416 -0.0182 464 TYR A CZ 3200 O OH . TYR A 441 ? 0.2376 0.3515 0.2660 0.1274 -0.0425 -0.0248 464 TYR A OH 3201 N N . ASP A 442 ? 0.2158 0.2696 0.2287 0.0813 -0.0379 0.0093 465 ASP A N 3202 C CA . ASP A 442 ? 0.2187 0.2720 0.2371 0.0740 -0.0380 0.0121 465 ASP A CA 3203 C C . ASP A 442 ? 0.2151 0.2860 0.2480 0.0648 -0.0391 0.0139 465 ASP A C 3204 O O . ASP A 442 ? 0.1795 0.2699 0.2179 0.0642 -0.0417 0.0125 465 ASP A O 3205 C CB . ASP A 442 ? 0.1603 0.2149 0.1736 0.0767 -0.0418 0.0108 465 ASP A CB 3206 C CG . ASP A 442 ? 0.2106 0.2584 0.2267 0.0689 -0.0401 0.0112 465 ASP A CG 3207 O OD1 . ASP A 442 ? 0.2384 0.2873 0.2663 0.0613 -0.0381 0.0131 465 ASP A OD1 3208 O OD2 . ASP A 442 ? 0.3555 0.3961 0.3615 0.0711 -0.0411 0.0094 465 ASP A OD2 3209 N N . ASN A 443 ? 0.2138 0.2779 0.2532 0.0574 -0.0369 0.0173 466 ASN A N 3210 C CA . ASN A 443 ? 0.1557 0.2330 0.2068 0.0488 -0.0389 0.0214 466 ASN A CA 3211 C C . ASN A 443 ? 0.1592 0.2441 0.2175 0.0436 -0.0421 0.0224 466 ASN A C 3212 O O . ASN A 443 ? 0.1802 0.2758 0.2469 0.0357 -0.0441 0.0269 466 ASN A O 3213 C CB . ASN A 443 ? 0.1502 0.2182 0.2077 0.0438 -0.0375 0.0255 466 ASN A CB 3214 C CG . ASN A 443 ? 0.1640 0.2159 0.2245 0.0440 -0.0350 0.0248 466 ASN A CG 3215 O OD1 . ASN A 443 ? 0.2005 0.2451 0.2533 0.0480 -0.0335 0.0209 466 ASN A OD1 3216 N ND2 . ASN A 443 ? 0.1371 0.1849 0.2088 0.0398 -0.0348 0.0282 466 ASN A ND2 3217 N N . GLU A 444 ? 0.1258 0.2056 0.1796 0.0471 -0.0429 0.0185 467 GLU A N 3218 C CA . GLU A 444 ? 0.1765 0.2652 0.2369 0.0415 -0.0463 0.0175 467 GLU A CA 3219 C C . GLU A 444 ? 0.1913 0.3036 0.2542 0.0413 -0.0493 0.0158 467 GLU A C 3220 O O . GLU A 444 ? 0.1635 0.2873 0.2349 0.0333 -0.0518 0.0161 467 GLU A O 3221 C CB . GLU A 444 ? 0.2341 0.3119 0.2874 0.0444 -0.0468 0.0123 467 GLU A CB 3222 C CG . GLU A 444 ? 0.2061 0.2656 0.2626 0.0411 -0.0434 0.0122 467 GLU A CG 3223 C CD . GLU A 444 ? 0.2388 0.2894 0.2860 0.0429 -0.0430 0.0056 467 GLU A CD 3224 O OE1 . GLU A 444 ? 0.2090 0.2459 0.2589 0.0407 -0.0390 0.0032 467 GLU A OE1 3225 O OE2 . GLU A 444 ? 0.2776 0.3362 0.3150 0.0468 -0.0467 0.0023 467 GLU A OE2 3226 N N . PHE A 445 ? 0.1090 0.2289 0.1658 0.0501 -0.0489 0.0130 468 PHE A N 3227 C CA . PHE A 445 ? 0.1180 0.2585 0.1787 0.0494 -0.0500 0.0093 468 PHE A CA 3228 C C . PHE A 445 ? 0.1668 0.3249 0.2372 0.0391 -0.0487 0.0131 468 PHE A C 3229 O O . PHE A 445 ? 0.1699 0.3250 0.2397 0.0364 -0.0466 0.0177 468 PHE A O 3230 C CB . PHE A 445 ? 0.1205 0.2592 0.1733 0.0593 -0.0476 0.0049 468 PHE A CB 3231 C CG . PHE A 445 ? 0.2521 0.3741 0.2933 0.0687 -0.0493 0.0030 468 PHE A CG 3232 C CD1 . PHE A 445 ? 0.4168 0.5347 0.4552 0.0680 -0.0532 0.0028 468 PHE A CD1 3233 C CD2 . PHE A 445 ? 0.2903 0.4014 0.3224 0.0781 -0.0475 0.0013 468 PHE A CD2 3234 C CE1 . PHE A 445 ? 0.4219 0.5256 0.4465 0.0762 -0.0552 0.0019 468 PHE A CE1 3235 C CE2 . PHE A 445 ? 0.3140 0.4087 0.3336 0.0859 -0.0494 0.0013 468 PHE A CE2 3236 C CZ . PHE A 445 ? 0.2992 0.3909 0.3143 0.0847 -0.0532 0.0021 468 PHE A CZ 3237 N N . LYS A 446 ? 0.1390 0.3138 0.2028 0.0367 -0.0084 -0.0075 469 LYS A N 3238 C CA . LYS A 446 ? 0.2565 0.4426 0.3266 0.0224 -0.0050 -0.0079 469 LYS A CA 3239 C C . LYS A 446 ? 0.2099 0.3967 0.2745 0.0231 -0.0036 -0.0084 469 LYS A C 3240 O O . LYS A 446 ? 0.1797 0.3618 0.2432 0.0118 -0.0011 -0.0033 469 LYS A O 3241 C CB . LYS A 446 ? 0.2028 0.4163 0.2836 0.0180 -0.0039 -0.0183 469 LYS A CB 3242 C CG . LYS A 446 ? 0.1931 0.4168 0.2784 0.0023 0.0013 -0.0192 469 LYS A CG 3243 C CD . LYS A 446 ? 0.3340 0.5854 0.4309 -0.0038 0.0036 -0.0309 469 LYS A CD 3244 C CE . LYS A 446 ? 0.4759 0.7352 0.5751 -0.0202 0.0105 -0.0317 469 LYS A CE 3245 N NZ . LYS A 446 ? 0.5563 0.8306 0.6651 -0.0338 0.0153 -0.0387 469 LYS A NZ 3246 N N . SER A 447 ? 0.1410 0.3328 0.2009 0.0367 -0.0050 -0.0146 470 SER A N 3247 C CA . SER A 447 ? 0.1565 0.3470 0.2100 0.0385 -0.0032 -0.0162 470 SER A CA 3248 C C . SER A 447 ? 0.1803 0.3448 0.2246 0.0350 -0.0027 -0.0068 470 SER A C 3249 O O . SER A 447 ? 0.2022 0.3656 0.2417 0.0309 -0.0007 -0.0070 470 SER A O 3250 C CB . SER A 447 ? 0.2214 0.4184 0.2702 0.0566 -0.0048 -0.0244 470 SER A CB 3251 O OG . SER A 447 ? 0.1822 0.3586 0.2218 0.0688 -0.0076 -0.0204 470 SER A OG 3252 N N . MET A 448 ? 0.1506 0.2958 0.1925 0.0362 -0.0043 0.0005 471 MET A N 3253 C CA . MET A 448 ? 0.1536 0.2772 0.1892 0.0322 -0.0038 0.0081 471 MET A CA 3254 C C . MET A 448 ? 0.1992 0.3219 0.2403 0.0177 -0.0039 0.0153 471 MET A C 3255 O O . MET A 448 ? 0.2186 0.3286 0.2562 0.0132 -0.0043 0.0208 471 MET A O 3256 C CB . MET A 448 ? 0.1574 0.2610 0.1880 0.0404 -0.0044 0.0119 471 MET A CB 3257 C CG . MET A 448 ? 0.1810 0.2765 0.2001 0.0560 -0.0038 0.0069 471 MET A CG 3258 S SD . MET A 448 ? 0.1833 0.2721 0.1922 0.0575 -0.0011 0.0032 471 MET A SD 3259 C CE . MET A 448 ? 0.1819 0.2988 0.1952 0.0632 -0.0016 -0.0069 471 MET A CE 3260 N N . GLU A 449 ? 0.1740 0.3094 0.2229 0.0105 -0.0035 0.0152 472 GLU A N 3261 C CA . GLU A 449 ? 0.1595 0.2910 0.2111 -0.0018 -0.0033 0.0229 472 GLU A CA 3262 C C . GLU A 449 ? 0.2386 0.3736 0.2845 -0.0092 -0.0024 0.0239 472 GLU A C 3263 O O . GLU A 449 ? 0.1605 0.3074 0.2034 -0.0080 -0.0004 0.0169 472 GLU A O 3264 C CB . GLU A 449 ? 0.1752 0.3161 0.2342 -0.0081 -0.0017 0.0220 472 GLU A CB 3265 C CG . GLU A 449 ? 0.1746 0.3115 0.2384 -0.0015 -0.0028 0.0210 472 GLU A CG 3266 C CD . GLU A 449 ? 0.2704 0.4204 0.3415 -0.0069 -0.0008 0.0161 472 GLU A CD 3267 O OE1 . GLU A 449 ? 0.2794 0.4262 0.3538 -0.0030 -0.0017 0.0151 472 GLU A OE1 3268 O OE2 . GLU A 449 ? 0.1823 0.3452 0.2552 -0.0157 0.0023 0.0127 472 GLU A OE2 3269 N N . ALA A 450 ? 0.1656 0.2909 0.2098 -0.0164 -0.0041 0.0325 473 ALA A N 3270 C CA . ALA A 450 ? 0.2063 0.3323 0.2426 -0.0230 -0.0045 0.0346 473 ALA A CA 3271 C C . ALA A 450 ? 0.2023 0.3306 0.2371 -0.0334 -0.0031 0.0401 473 ALA A C 3272 O O . ALA A 450 ? 0.1872 0.3126 0.2277 -0.0356 -0.0023 0.0434 473 ALA A O 3273 C CB . ALA A 450 ? 0.1547 0.2680 0.1884 -0.0219 -0.0084 0.0395 473 ALA A CB 3274 N N . ILE A 451 ? 0.2228 0.3548 0.2482 -0.0401 -0.0022 0.0409 474 ILE A N 3275 C CA . ILE A 451 ? 0.2001 0.3296 0.2197 -0.0499 -0.0006 0.0478 474 ILE A CA 3276 C C . ILE A 451 ? 0.2190 0.3345 0.2357 -0.0503 -0.0064 0.0588 474 ILE A C 3277 O O . ILE A 451 ? 0.1941 0.3058 0.2121 -0.0454 -0.0114 0.0598 474 ILE A O 3278 C CB . ILE A 451 ? 0.2083 0.3465 0.2164 -0.0572 0.0034 0.0446 474 ILE A CB 3279 C CG1 . ILE A 451 ? 0.2284 0.3663 0.2288 -0.0544 -0.0001 0.0429 474 ILE A CG1 3280 C CG2 . ILE A 451 ? 0.1863 0.3412 0.1994 -0.0586 0.0103 0.0339 474 ILE A CG2 3281 C CD1 . ILE A 451 ? 0.2081 0.3490 0.1930 -0.0627 0.0019 0.0440 474 ILE A CD1 3282 N N . PHE A 452 ? 0.2311 0.3390 0.2434 -0.0562 -0.0053 0.0668 475 PHE A N 3283 C CA . PHE A 452 ? 0.2583 0.3545 0.2653 -0.0561 -0.0111 0.0778 475 PHE A CA 3284 C C . PHE A 452 ? 0.2666 0.3558 0.2602 -0.0643 -0.0074 0.0845 475 PHE A C 3285 O O . PHE A 452 ? 0.2227 0.3067 0.2184 -0.0682 -0.0018 0.0852 475 PHE A O 3286 C CB . PHE A 452 ? 0.2549 0.3420 0.2738 -0.0499 -0.0146 0.0825 475 PHE A CB 3287 C CG . PHE A 452 ? 0.2764 0.3534 0.2911 -0.0483 -0.0209 0.0938 475 PHE A CG 3288 C CD1 . PHE A 452 ? 0.2827 0.3478 0.2883 -0.0519 -0.0193 0.1026 475 PHE A CD1 3289 C CD2 . PHE A 452 ? 0.3017 0.3813 0.3210 -0.0432 -0.0282 0.0950 475 PHE A CD2 3290 C CE1 . PHE A 452 ? 0.3034 0.3591 0.3038 -0.0481 -0.0258 0.1132 475 PHE A CE1 3291 C CE2 . PHE A 452 ? 0.3660 0.4401 0.3829 -0.0404 -0.0351 0.1045 475 PHE A CE2 3292 C CZ . PHE A 452 ? 0.2576 0.3198 0.2647 -0.0418 -0.0344 0.1140 475 PHE A CZ 3293 N N . LEU A 453 ? 0.2408 0.3288 0.2192 -0.0674 -0.0101 0.0890 476 LEU A N 3294 C CA . LEU A 453 ? 0.2644 0.3421 0.2251 -0.0747 -0.0070 0.0973 476 LEU A CA 3295 C C . LEU A 453 ? 0.4021 0.4716 0.3525 -0.0704 -0.0164 0.1077 476 LEU A C 3296 O O . LEU A 453 ? 0.2941 0.3724 0.2469 -0.0662 -0.0234 0.1050 476 LEU A O 3297 C CB . LEU A 453 ? 0.2747 0.3610 0.2225 -0.0835 0.0001 0.0914 476 LEU A CB 3298 C CG . LEU A 453 ? 0.3805 0.4798 0.3388 -0.0876 0.0091 0.0796 476 LEU A CG 3299 C CD1 . LEU A 453 ? 0.3066 0.4231 0.2727 -0.0825 0.0077 0.0681 476 LEU A CD1 3300 C CD2 . LEU A 453 ? 0.3884 0.4868 0.3326 -0.0995 0.0189 0.0794 476 LEU A CD2 3301 N N . ALA A 454 ? 0.3529 0.4058 0.2912 -0.0715 -0.0164 0.1190 477 ALA A N 3302 C CA . ALA A 454 ? 0.4050 0.4510 0.3329 -0.0656 -0.0263 0.1295 477 ALA A CA 3303 C C . ALA A 454 ? 0.4489 0.4781 0.3509 -0.0708 -0.0230 0.1398 477 ALA A C 3304 O O . ALA A 454 ? 0.3512 0.3681 0.2471 -0.0778 -0.0128 0.1414 477 ALA A O 3305 C CB . ALA A 454 ? 0.4747 0.5149 0.4182 -0.0557 -0.0327 0.1347 477 ALA A CB 3306 N N . HIS A 455 ? 0.4217 0.4498 0.3071 -0.0676 -0.0313 0.1467 478 HIS A N 3307 C CA . HIS A 455 ? 0.3945 0.4033 0.2513 -0.0708 -0.0290 0.1584 478 HIS A CA 3308 C C . HIS A 455 ? 0.4968 0.5045 0.3417 -0.0611 -0.0429 0.1678 478 HIS A C 3309 O O . HIS A 455 ? 0.4803 0.5070 0.3346 -0.0568 -0.0524 0.1621 478 HIS A O 3310 C CB . HIS A 455 ? 0.4067 0.4182 0.2457 -0.0833 -0.0189 0.1534 478 HIS A CB 3311 C CG . HIS A 455 ? 0.5622 0.5565 0.3673 -0.0862 -0.0185 0.1650 478 HIS A CG 3312 N ND1 . HIS A 455 ? 0.5405 0.5102 0.3266 -0.0929 -0.0080 0.1734 478 HIS A ND1 3313 C CD2 . HIS A 455 ? 0.5730 0.5698 0.3582 -0.0831 -0.0273 0.1698 478 HIS A CD2 3314 C CE1 . HIS A 455 ? 0.6791 0.6354 0.4382 -0.0905 -0.0094 0.1798 478 HIS A CE1 3315 N NE2 . HIS A 455 ? 0.6130 0.5862 0.3700 -0.0851 -0.0217 0.1787 478 HIS A NE2 3316 N N . GLY A 456 ? 0.5373 0.5222 0.3612 -0.0574 -0.0439 0.1819 479 GLY A N 3317 C CA . GLY A 456 ? 0.5230 0.5054 0.3341 -0.0460 -0.0569 0.1903 479 GLY A CA 3318 C C . GLY A 456 ? 0.5421 0.5023 0.3530 -0.0341 -0.0585 0.1993 479 GLY A C 3319 O O . GLY A 456 ? 0.5496 0.4970 0.3711 -0.0357 -0.0503 0.2000 479 GLY A O 3320 N N . PRO A 457 ? 0.5166 0.4724 0.3153 -0.0213 -0.0692 0.2056 480 PRO A N 3321 C CA . PRO A 457 ? 0.5658 0.4967 0.3580 -0.0084 -0.0697 0.2148 480 PRO A CA 3322 C C . PRO A 457 ? 0.5584 0.4947 0.3813 -0.0007 -0.0728 0.2126 480 PRO A C 3323 O O . PRO A 457 ? 0.6184 0.5311 0.4386 0.0060 -0.0683 0.2182 480 PRO A O 3324 C CB . PRO A 457 ? 0.5824 0.5139 0.3558 0.0049 -0.0826 0.2202 480 PRO A CB 3325 C CG . PRO A 457 ? 0.6220 0.5847 0.4013 -0.0010 -0.0907 0.2116 480 PRO A CG 3326 C CD . PRO A 457 ? 0.6162 0.5846 0.3989 -0.0188 -0.0788 0.2049 480 PRO A CD 3327 N N . GLY A 458 ? 0.5474 0.5128 0.3984 -0.0015 -0.0795 0.2044 481 GLY A N 3328 C CA . GLY A 458 ? 0.4447 0.4156 0.3254 0.0044 -0.0805 0.2014 481 GLY A CA 3329 C C . GLY A 458 ? 0.5238 0.4834 0.4137 -0.0053 -0.0669 0.1990 481 GLY A C 3330 O O . GLY A 458 ? 0.4284 0.3850 0.3379 0.0002 -0.0655 0.1978 481 GLY A O 3331 N N . PHE A 459 ? 0.4698 0.4243 0.3462 -0.0196 -0.0566 0.1974 482 PHE A N 3332 C CA . PHE A 459 ? 0.5302 0.4806 0.4176 -0.0303 -0.0442 0.1920 482 PHE A CA 3333 C C . PHE A 459 ? 0.5032 0.4234 0.3701 -0.0364 -0.0314 0.1967 482 PHE A C 3334 O O . PHE A 459 ? 0.5227 0.4283 0.3625 -0.0381 -0.0289 0.2020 482 PHE A O 3335 C CB . PHE A 459 ? 0.3915 0.3630 0.2848 -0.0416 -0.0394 0.1789 482 PHE A CB 3336 C CG . PHE A 459 ? 0.3964 0.3938 0.3139 -0.0371 -0.0470 0.1690 482 PHE A CG 3337 C CD1 . PHE A 459 ? 0.3484 0.3513 0.2916 -0.0338 -0.0455 0.1626 482 PHE A CD1 3338 C CD2 . PHE A 459 ? 0.4130 0.4277 0.3264 -0.0365 -0.0552 0.1660 482 PHE A CD2 3339 C CE1 . PHE A 459 ? 0.4321 0.4557 0.3953 -0.0303 -0.0512 0.1540 482 PHE A CE1 3340 C CE2 . PHE A 459 ? 0.4212 0.4576 0.3564 -0.0335 -0.0610 0.1563 482 PHE A CE2 3341 C CZ . PHE A 459 ? 0.3542 0.3939 0.3136 -0.0305 -0.0585 0.1507 482 PHE A CZ 3342 N N . LYS A 460 ? 0.5112 0.4217 0.3907 -0.0399 -0.0227 0.1937 483 LYS A N 3343 C CA . LYS A 460 ? 0.5437 0.4284 0.4067 -0.0494 -0.0081 0.1946 483 LYS A CA 3344 C C . LYS A 460 ? 0.5237 0.4148 0.3731 -0.0655 0.0008 0.1897 483 LYS A C 3345 O O . LYS A 460 ? 0.5039 0.4213 0.3622 -0.0707 -0.0023 0.1830 483 LYS A O 3346 C CB . LYS A 460 ? 0.5752 0.4551 0.4577 -0.0526 -0.0007 0.1889 483 LYS A CB 3347 C CG . LYS A 460 ? 0.6091 0.4750 0.4995 -0.0375 -0.0058 0.1935 483 LYS A CG 3348 C CD . LYS A 460 ? 0.6104 0.4726 0.5198 -0.0409 0.0016 0.1867 483 LYS A CD 3349 C CE . LYS A 460 ? 0.6492 0.4993 0.5670 -0.0255 -0.0035 0.1899 483 LYS A CE 3350 N NZ . LYS A 460 ? 0.6357 0.4861 0.5738 -0.0285 0.0027 0.1820 483 LYS A NZ 3351 N N . GLU A 461 ? 0.6282 0.4950 0.4561 -0.0727 0.0132 0.1922 484 GLU A N 3352 C CA . GLU A 461 ? 0.6273 0.4986 0.4437 -0.0886 0.0247 0.1860 484 GLU A CA 3353 C C . GLU A 461 ? 0.5700 0.4435 0.4006 -0.1020 0.0381 0.1753 484 GLU A C 3354 O O . GLU A 461 ? 0.4966 0.3552 0.3357 -0.1002 0.0423 0.1756 484 GLU A O 3355 C CB . GLU A 461 ? 0.7434 0.5895 0.5293 -0.0888 0.0312 0.1947 484 GLU A CB 3356 C CG . GLU A 461 ? 0.9017 0.7463 0.6741 -0.0738 0.0169 0.2047 484 GLU A CG 3357 C CD . GLU A 461 ? 1.0693 0.8824 0.8161 -0.0647 0.0198 0.2180 484 GLU A CD 3358 O OE1 . GLU A 461 ? 1.1403 0.9344 0.8796 -0.0729 0.0339 0.2196 484 GLU A OE1 3359 O OE2 . GLU A 461 ? 1.0742 0.8846 0.8113 -0.0494 0.0075 0.2263 484 GLU A OE2 3360 N N . LYS A 462 ? 0.5201 0.4131 0.3525 -0.1152 0.0451 0.1649 485 LYS A N 3361 C CA . LYS A 462 ? 0.5533 0.4529 0.3981 -0.1288 0.0584 0.1524 485 LYS A CA 3362 C C . LYS A 462 ? 0.5422 0.4465 0.4115 -0.1259 0.0563 0.1477 485 LYS A C 3363 O O . LYS A 462 ? 0.5912 0.4840 0.4659 -0.1316 0.0656 0.1432 485 LYS A O 3364 C CB . LYS A 462 ? 0.5746 0.4487 0.4019 -0.1362 0.0717 0.1550 485 LYS A CB 3365 C CG . LYS A 462 ? 0.7633 0.6473 0.6021 -0.1519 0.0855 0.1405 485 LYS A CG 3366 C CD . LYS A 462 ? 0.8544 0.7158 0.6972 -0.1536 0.0924 0.1414 485 LYS A CD 3367 C CE . LYS A 462 ? 0.8697 0.7362 0.7168 -0.1702 0.1065 0.1284 485 LYS A CE 3368 N NZ . LYS A 462 ? 0.8904 0.7922 0.7627 -0.1767 0.1072 0.1109 485 LYS A NZ 3369 N N . THR A 463 ? 0.4657 0.3872 0.3512 -0.1157 0.0436 0.1482 486 THR A N 3370 C CA . THR A 463 ? 0.4856 0.4093 0.3939 -0.1083 0.0403 0.1441 486 THR A CA 3371 C C . THR A 463 ? 0.4512 0.4086 0.3847 -0.1064 0.0367 0.1294 486 THR A C 3372 O O . THR A 463 ? 0.4437 0.4194 0.3802 -0.1008 0.0289 0.1275 486 THR A O 3373 C CB . THR A 463 ? 0.5193 0.4290 0.4268 -0.0919 0.0287 0.1564 486 THR A CB 3374 O OG1 . THR A 463 ? 0.5847 0.4604 0.4701 -0.0912 0.0334 0.1680 486 THR A OG1 3375 C CG2 . THR A 463 ? 0.4563 0.3729 0.3894 -0.0831 0.0244 0.1510 486 THR A CG2 3376 N N . GLU A 464 ? 0.3795 0.3438 0.3296 -0.1107 0.0423 0.1190 487 GLU A N 3377 C CA . GLU A 464 ? 0.3364 0.3285 0.3093 -0.1059 0.0380 0.1064 487 GLU A CA 3378 C C . GLU A 464 ? 0.3359 0.3217 0.3231 -0.0950 0.0323 0.1080 487 GLU A C 3379 O O . GLU A 464 ? 0.3823 0.3475 0.3673 -0.0968 0.0368 0.1117 487 GLU A O 3380 C CB . GLU A 464 ? 0.3604 0.3705 0.3419 -0.1179 0.0476 0.0916 487 GLU A CB 3381 C CG . GLU A 464 ? 0.3260 0.3671 0.3272 -0.1115 0.0425 0.0785 487 GLU A CG 3382 C CD . GLU A 464 ? 0.3796 0.4435 0.3889 -0.1222 0.0509 0.0632 487 GLU A CD 3383 O OE1 . GLU A 464 ? 0.3492 0.4107 0.3666 -0.1269 0.0556 0.0577 487 GLU A OE1 3384 O OE2 . GLU A 464 ? 0.3759 0.4599 0.3844 -0.1251 0.0525 0.0565 487 GLU A OE2 3385 N N . VAL A 465 ? 0.3157 0.3172 0.3160 -0.0841 0.0232 0.1052 488 VAL A N 3386 C CA . VAL A 465 ? 0.3318 0.3299 0.3465 -0.0743 0.0187 0.1053 488 VAL A CA 3387 C C . VAL A 465 ? 0.3139 0.3337 0.3445 -0.0727 0.0185 0.0921 488 VAL A C 3388 O O . VAL A 465 ? 0.2777 0.3162 0.3090 -0.0758 0.0193 0.0843 488 VAL A O 3389 C CB . VAL A 465 ? 0.3199 0.3145 0.3357 -0.0621 0.0085 0.1144 488 VAL A CB 3390 C CG1 . VAL A 465 ? 0.3260 0.2992 0.3241 -0.0618 0.0076 0.1280 488 VAL A CG1 3391 C CG2 . VAL A 465 ? 0.3045 0.3197 0.3231 -0.0589 0.0023 0.1102 488 VAL A CG2 3392 N N . THR A 466 ? 0.2961 0.3124 0.3382 -0.0673 0.0179 0.0895 489 THR A N 3393 C CA . THR A 466 ? 0.3031 0.3374 0.3580 -0.0634 0.0167 0.0784 489 THR A CA 3394 C C . THR A 466 ? 0.2839 0.3289 0.3426 -0.0539 0.0090 0.0788 489 THR A C 3395 O O . THR A 466 ? 0.2154 0.2543 0.2701 -0.0499 0.0041 0.0872 489 THR A O 3396 C CB . THR A 466 ? 0.2801 0.3062 0.3440 -0.0595 0.0178 0.0762 489 THR A CB 3397 O OG1 . THR A 466 ? 0.3887 0.3987 0.4530 -0.0519 0.0139 0.0865 489 THR A OG1 3398 C CG2 . THR A 466 ? 0.3760 0.3936 0.4375 -0.0700 0.0262 0.0722 489 THR A CG2 3399 N N . SER A 467 ? 0.2163 0.2771 0.2819 -0.0502 0.0082 0.0691 490 SER A N 3400 C CA . SER A 467 ? 0.2482 0.3168 0.3158 -0.0421 0.0027 0.0682 490 SER A CA 3401 C C . SER A 467 ? 0.1756 0.2330 0.2480 -0.0345 -0.0016 0.0749 490 SER A C 3402 O O . SER A 467 ? 0.1989 0.2456 0.2760 -0.0330 -0.0002 0.0776 490 SER A O 3403 C CB . SER A 467 ? 0.2520 0.3352 0.3247 -0.0378 0.0032 0.0571 490 SER A CB 3404 O OG . SER A 467 ? 0.2540 0.3336 0.3329 -0.0354 0.0048 0.0538 490 SER A OG 3405 N N . PHE A 468 ? 0.1543 0.2150 0.2261 -0.0302 -0.0063 0.0769 491 PHE A N 3406 C CA . PHE A 468 ? 0.1506 0.2049 0.2289 -0.0238 -0.0100 0.0814 491 PHE A CA 3407 C C . PHE A 468 ? 0.1661 0.2278 0.2443 -0.0202 -0.0126 0.0774 491 PHE A C 3408 O O . PHE A 468 ? 0.1850 0.2551 0.2572 -0.0220 -0.0121 0.0725 491 PHE A O 3409 C CB . PHE A 468 ? 0.1618 0.2076 0.2383 -0.0245 -0.0133 0.0915 491 PHE A CB 3410 C CG . PHE A 468 ? 0.2472 0.2980 0.3137 -0.0280 -0.0169 0.0948 491 PHE A CG 3411 C CD1 . PHE A 468 ? 0.2046 0.2627 0.2723 -0.0254 -0.0220 0.0943 491 PHE A CD1 3412 C CD2 . PHE A 468 ? 0.2529 0.3003 0.3078 -0.0348 -0.0145 0.0981 491 PHE A CD2 3413 C CE1 . PHE A 468 ? 0.1734 0.2365 0.2310 -0.0287 -0.0256 0.0966 491 PHE A CE1 3414 C CE2 . PHE A 468 ? 0.2761 0.3275 0.3194 -0.0380 -0.0176 0.1012 491 PHE A CE2 3415 C CZ . PHE A 468 ? 0.2600 0.3197 0.3048 -0.0346 -0.0236 0.1004 491 PHE A CZ 3416 N N . GLU A 469 ? 0.1699 0.2279 0.2551 -0.0155 -0.0146 0.0790 492 GLU A N 3417 C CA . GLU A 469 ? 0.2092 0.2705 0.2939 -0.0128 -0.0153 0.0744 492 GLU A CA 3418 C C . GLU A 469 ? 0.1633 0.2290 0.2461 -0.0153 -0.0200 0.0771 492 GLU A C 3419 O O . GLU A 469 ? 0.1747 0.2402 0.2604 -0.0163 -0.0239 0.0836 492 GLU A O 3420 C CB . GLU A 469 ? 0.1370 0.1917 0.2292 -0.0077 -0.0130 0.0730 492 GLU A CB 3421 C CG . GLU A 469 ? 0.1913 0.2421 0.2832 -0.0048 -0.0089 0.0695 492 GLU A CG 3422 C CD . GLU A 469 ? 0.2449 0.2882 0.3395 0.0005 -0.0057 0.0670 492 GLU A CD 3423 O OE1 . GLU A 469 ? 0.2128 0.2525 0.3147 0.0008 -0.0057 0.0698 492 GLU A OE1 3424 O OE2 . GLU A 469 ? 0.2169 0.2587 0.3058 0.0045 -0.0031 0.0619 492 GLU A OE2 3425 N N . ASN A 470 ? 0.2112 0.2810 0.2881 -0.0159 -0.0199 0.0717 493 ASN A N 3426 C CA . ASN A 470 ? 0.1760 0.2509 0.2500 -0.0192 -0.0243 0.0726 493 ASN A CA 3427 C C . ASN A 470 ? 0.2161 0.2909 0.3005 -0.0183 -0.0272 0.0746 493 ASN A C 3428 O O . ASN A 470 ? 0.1632 0.2448 0.2475 -0.0211 -0.0325 0.0763 493 ASN A O 3429 C CB . ASN A 470 ? 0.1850 0.2626 0.2499 -0.0202 -0.0225 0.0653 493 ASN A CB 3430 C CG . ASN A 470 ? 0.1668 0.2370 0.2332 -0.0163 -0.0187 0.0597 493 ASN A CG 3431 O OD1 . ASN A 470 ? 0.1633 0.2272 0.2371 -0.0134 -0.0167 0.0608 493 ASN A OD1 3432 N ND2 . ASN A 470 ? 0.1987 0.2678 0.2565 -0.0164 -0.0168 0.0535 493 ASN A ND2 3433 N N . ILE A 471 ? 0.1372 0.2061 0.2309 -0.0147 -0.0239 0.0739 494 ILE A N 3434 C CA . ILE A 471 ? 0.1367 0.2081 0.2427 -0.0144 -0.0259 0.0752 494 ILE A CA 3435 C C . ILE A 471 ? 0.1879 0.2645 0.3002 -0.0132 -0.0320 0.0828 494 ILE A C 3436 O O . ILE A 471 ? 0.1430 0.2271 0.2655 -0.0127 -0.0360 0.0836 494 ILE A O 3437 C CB . ILE A 471 ? 0.1552 0.2186 0.2692 -0.0110 -0.0198 0.0730 494 ILE A CB 3438 C CG1 . ILE A 471 ? 0.1422 0.1988 0.2568 -0.0071 -0.0172 0.0762 494 ILE A CG1 3439 C CG2 . ILE A 471 ? 0.1338 0.1899 0.2405 -0.0114 -0.0141 0.0661 494 ILE A CG2 3440 C CD1 . ILE A 471 ? 0.1428 0.1914 0.2640 -0.0037 -0.0113 0.0742 494 ILE A CD1 3441 N N . GLU A 472 ? 0.1461 0.2181 0.2525 -0.0123 -0.0322 0.0880 495 GLU A N 3442 C CA . GLU A 472 ? 0.1511 0.2227 0.2596 -0.0099 -0.0370 0.0963 495 GLU A CA 3443 C C . GLU A 472 ? 0.1609 0.2405 0.2616 -0.0120 -0.0444 0.0998 495 GLU A C 3444 O O . GLU A 472 ? 0.1961 0.2768 0.2988 -0.0083 -0.0502 0.1068 495 GLU A O 3445 C CB . GLU A 472 ? 0.1553 0.2161 0.2569 -0.0100 -0.0331 0.1000 495 GLU A CB 3446 C CG . GLU A 472 ? 0.2307 0.2833 0.3385 -0.0078 -0.0264 0.0971 495 GLU A CG 3447 C CD . GLU A 472 ? 0.2270 0.2787 0.3495 -0.0025 -0.0260 0.0973 495 GLU A CD 3448 O OE1 . GLU A 472 ? 0.2131 0.2623 0.3402 -0.0014 -0.0209 0.0919 495 GLU A OE1 3449 O OE2 . GLU A 472 ? 0.2407 0.2952 0.3698 0.0008 -0.0309 0.1026 495 GLU A OE2 3450 N N . VAL A 473 ? 0.1775 0.2621 0.2682 -0.0171 -0.0446 0.0951 496 VAL A N 3451 C CA . VAL A 473 ? 0.2208 0.3112 0.2992 -0.0201 -0.0506 0.0983 496 VAL A CA 3452 C C . VAL A 473 ? 0.2207 0.3233 0.3063 -0.0185 -0.0591 0.0988 496 VAL A C 3453 O O . VAL A 473 ? 0.1949 0.3014 0.2729 -0.0172 -0.0664 0.1050 496 VAL A O 3454 C CB . VAL A 473 ? 0.1727 0.2652 0.2389 -0.0258 -0.0472 0.0917 496 VAL A CB 3455 C CG1 . VAL A 473 ? 0.2072 0.3060 0.2591 -0.0295 -0.0529 0.0941 496 VAL A CG1 3456 C CG2 . VAL A 473 ? 0.1695 0.2541 0.2303 -0.0267 -0.0396 0.0905 496 VAL A CG2 3457 N N . TYR A 474 ? 0.1682 0.2772 0.2679 -0.0186 -0.0582 0.0922 497 TYR A N 3458 C CA . TYR A 474 ? 0.1716 0.2961 0.2810 -0.0183 -0.0660 0.0905 497 TYR A CA 3459 C C . TYR A 474 ? 0.1785 0.3068 0.2955 -0.0104 -0.0731 0.0991 497 TYR A C 3460 O O . TYR A 474 ? 0.1903 0.3289 0.3031 -0.0083 -0.0827 0.1027 497 TYR A O 3461 C CB . TYR A 474 ? 0.1619 0.2904 0.2857 -0.0212 -0.0612 0.0812 497 TYR A CB 3462 C CG . TYR A 474 ? 0.1638 0.3105 0.3030 -0.0214 -0.0678 0.0779 497 TYR A CG 3463 C CD1 . TYR A 474 ? 0.2096 0.3702 0.3447 -0.0270 -0.0742 0.0728 497 TYR A CD1 3464 C CD2 . TYR A 474 ? 0.1591 0.3111 0.3176 -0.0164 -0.0676 0.0786 497 TYR A CD2 3465 C CE1 . TYR A 474 ? 0.1732 0.3541 0.3237 -0.0279 -0.0808 0.0682 497 TYR A CE1 3466 C CE2 . TYR A 474 ? 0.2175 0.3910 0.3931 -0.0168 -0.0740 0.0740 497 TYR A CE2 3467 C CZ . TYR A 474 ? 0.1678 0.3562 0.3392 -0.0228 -0.0808 0.0686 497 TYR A CZ 3468 O OH . TYR A 474 ? 0.1702 0.3827 0.3585 -0.0243 -0.0875 0.0625 497 TYR A OH 3469 N N . ASN A 475 ? 0.2085 0.3281 0.3354 -0.0049 -0.0687 0.1024 498 ASN A N 3470 C CA . ASN A 475 ? 0.1932 0.3126 0.3255 0.0042 -0.0745 0.1111 498 ASN A CA 3471 C C . ASN A 475 ? 0.2007 0.3120 0.3128 0.0061 -0.0795 0.1207 498 ASN A C 3472 O O . ASN A 475 ? 0.2158 0.3325 0.3267 0.0131 -0.0886 0.1274 498 ASN A O 3473 C CB . ASN A 475 ? 0.2030 0.3092 0.3444 0.0087 -0.0670 0.1129 498 ASN A CB 3474 C CG . ASN A 475 ? 0.1932 0.3081 0.3557 0.0095 -0.0634 0.1057 498 ASN A CG 3475 O OD1 . ASN A 475 ? 0.1635 0.2962 0.3376 0.0087 -0.0682 0.1009 498 ASN A OD1 3476 N ND2 . ASN A 475 ? 0.1578 0.2604 0.3251 0.0105 -0.0545 0.1044 498 ASN A ND2 3477 N N . LEU A 476 ? 0.2130 0.3110 0.3087 0.0003 -0.0731 0.1216 499 LEU A N 3478 C CA . LEU A 476 ? 0.2568 0.3444 0.3310 -0.0001 -0.0752 0.1302 499 LEU A CA 3479 C C . LEU A 476 ? 0.2334 0.3338 0.2972 -0.0008 -0.0849 0.1314 499 LEU A C 3480 O O . LEU A 476 ? 0.2602 0.3575 0.3130 0.0050 -0.0921 0.1407 499 LEU A O 3481 C CB . LEU A 476 ? 0.2519 0.3286 0.3135 -0.0083 -0.0657 0.1275 499 LEU A CB 3482 C CG . LEU A 476 ? 0.3354 0.4016 0.3736 -0.0117 -0.0652 0.1348 499 LEU A CG 3483 C CD1 . LEU A 476 ? 0.3077 0.3565 0.3408 -0.0059 -0.0648 0.1454 499 LEU A CD1 3484 C CD2 . LEU A 476 ? 0.2332 0.2950 0.2620 -0.0210 -0.0556 0.1292 499 LEU A CD2 3485 N N . MET A 477 ? 0.2238 0.3376 0.2898 -0.0074 -0.0854 0.1219 500 MET A N 3486 C CA . MET A 477 ? 0.3283 0.4554 0.3841 -0.0094 -0.0944 0.1209 500 MET A CA 3487 C C . MET A 477 ? 0.2602 0.4025 0.3273 -0.0011 -0.1061 0.1237 500 MET A C 3488 O O . MET A 477 ? 0.2917 0.4387 0.3453 0.0025 -0.1156 0.1297 500 MET A O 3489 C CB . MET A 477 ? 0.2864 0.4231 0.3444 -0.0184 -0.0910 0.1086 500 MET A CB 3490 C CG . MET A 477 ? 0.2862 0.4102 0.3311 -0.0248 -0.0808 0.1061 500 MET A CG 3491 S SD . MET A 477 ? 0.2699 0.4017 0.3099 -0.0337 -0.0776 0.0931 500 MET A SD 3492 C CE . MET A 477 ? 0.1964 0.3308 0.2597 -0.0334 -0.0729 0.0840 500 MET A CE 3493 N N . CYS A 478 ? 0.2286 0.3795 0.3201 0.0023 -0.1054 0.1190 501 CYS A N 3494 C CA . CYS A 478 ? 0.3140 0.4822 0.4204 0.0113 -0.1160 0.1205 501 CYS A CA 3495 C C . CYS A 478 ? 0.2546 0.4115 0.3505 0.0231 -0.1218 0.1343 501 CYS A C 3496 O O . CYS A 478 ? 0.2730 0.4388 0.3630 0.0304 -0.1319 0.1364 501 CYS A O 3497 C CB . CYS A 478 ? 0.2176 0.3937 0.3518 0.0125 -0.1112 0.1134 501 CYS A CB 3498 S SG . CYS A 478 ? 0.2209 0.4111 0.3673 -0.0005 -0.1058 0.0971 501 CYS A SG 3499 N N . ASP A 479 ? 0.2555 0.3886 0.3459 0.0251 -0.1130 0.1409 502 ASP A N 3500 C CA . ASP A 479 ? 0.3079 0.4222 0.3835 0.0348 -0.1147 0.1525 502 ASP A CA 3501 C C . ASP A 479 ? 0.3066 0.4151 0.3533 0.0337 -0.1200 0.1584 502 ASP A C 3502 O O . ASP A 479 ? 0.3866 0.4925 0.4225 0.0438 -0.1273 0.1628 502 ASP A O 3503 C CB . ASP A 479 ? 0.3321 0.4217 0.4051 0.0332 -0.1031 0.1572 502 ASP A CB 3504 C CG . ASP A 479 ? 0.3132 0.4050 0.4117 0.0372 -0.0981 0.1524 502 ASP A CG 3505 O OD1 . ASP A 479 ? 0.2522 0.3632 0.3700 0.0424 -0.1032 0.1463 502 ASP A OD1 3506 O OD2 . ASP A 479 ? 0.3560 0.4303 0.4543 0.0344 -0.0880 0.1529 502 ASP A OD2 3507 N N . LEU A 480 ? 0.2995 0.4064 0.3325 0.0219 -0.1163 0.1576 503 LEU A N 3508 C CA . LEU A 480 ? 0.3902 0.4910 0.3942 0.0195 -0.1199 0.1628 503 LEU A CA 3509 C C . LEU A 480 ? 0.4252 0.5479 0.4280 0.0229 -0.1322 0.1579 503 LEU A C 3510 O O . LEU A 480 ? 0.3710 0.4876 0.3496 0.0258 -0.1372 0.1629 503 LEU A O 3511 C CB . LEU A 480 ? 0.3162 0.4114 0.3076 0.0056 -0.1102 0.1580 503 LEU A CB 3512 C CG . LEU A 480 ? 0.3672 0.4398 0.3543 0.0007 -0.0965 0.1602 503 LEU A CG 3513 C CD1 . LEU A 480 ? 0.2988 0.3738 0.2819 -0.0119 -0.0872 0.1506 503 LEU A CD1 3514 C CD2 . LEU A 480 ? 0.3873 0.4364 0.3491 0.0038 -0.0955 0.1740 503 LEU A CD2 3515 N N . LEU A 481 ? 0.3197 0.4671 0.3470 0.0220 -0.1368 0.1476 504 LEU A N 3516 C CA . LEU A 481 ? 0.3370 0.5070 0.3658 0.0249 -0.1484 0.1411 504 LEU A CA 3517 C C . LEU A 481 ? 0.3735 0.5536 0.4202 0.0386 -0.1554 0.1398 504 LEU A C 3518 O O . LEU A 481 ? 0.3649 0.5680 0.4193 0.0414 -0.1654 0.1321 504 LEU A O 3519 C CB . LEU A 481 ? 0.3405 0.5328 0.3827 0.0126 -0.1485 0.1282 504 LEU A CB 3520 C CG . LEU A 481 ? 0.3030 0.4891 0.3246 0.0001 -0.1436 0.1268 504 LEU A CG 3521 C CD1 . LEU A 481 ? 0.3089 0.5060 0.3456 -0.0108 -0.1374 0.1116 504 LEU A CD1 3522 C CD2 . LEU A 481 ? 0.3511 0.5406 0.3473 0.0008 -0.1520 0.1285 504 LEU A CD2 3523 N N . LYS A 482 ? 0.3400 0.5039 0.3937 0.0469 -0.1502 0.1460 505 LYS A N 3524 C CA . LYS A 482 ? 0.3489 0.5211 0.4198 0.0607 -0.1558 0.1445 505 LYS A CA 3525 C C . LYS A 482 ? 0.3834 0.5876 0.4846 0.0574 -0.1592 0.1306 505 LYS A C 3526 O O . LYS A 482 ? 0.3362 0.5603 0.4479 0.0660 -0.1693 0.1252 505 LYS A O 3527 C CB . LYS A 482 ? 0.4504 0.6175 0.5006 0.0743 -0.1669 0.1509 505 LYS A CB 3528 C CG . LYS A 482 ? 0.4872 0.6228 0.5028 0.0735 -0.1624 0.1634 505 LYS A CG 3529 C CD . LYS A 482 ? 0.6641 0.7895 0.6559 0.0877 -0.1727 0.1706 505 LYS A CD 3530 C CE . LYS A 482 ? 0.7302 0.8395 0.7262 0.1035 -0.1729 0.1762 505 LYS A CE 3531 N NZ . LYS A 482 ? 0.7826 0.8535 0.7445 0.1087 -0.1688 0.1895 505 LYS A NZ 3532 N N . LEU A 483 ? 0.3367 0.5454 0.4521 0.0446 -0.1506 0.1243 506 LEU A N 3533 C CA . LEU A 483 ? 0.2665 0.5012 0.4096 0.0386 -0.1504 0.1108 506 LEU A CA 3534 C C . LEU A 483 ? 0.2492 0.4792 0.4149 0.0410 -0.1412 0.1096 506 LEU A C 3535 O O . LEU A 483 ? 0.2739 0.4803 0.4335 0.0412 -0.1325 0.1172 506 LEU A O 3536 C CB . LEU A 483 ? 0.2515 0.4924 0.3922 0.0219 -0.1465 0.1036 506 LEU A CB 3537 C CG . LEU A 483 ? 0.2660 0.5126 0.3847 0.0163 -0.1537 0.1023 506 LEU A CG 3538 C CD1 . LEU A 483 ? 0.2515 0.4979 0.3659 0.0006 -0.1472 0.0962 506 LEU A CD1 3539 C CD2 . LEU A 483 ? 0.2785 0.5516 0.4057 0.0202 -0.1654 0.0931 506 LEU A CD2 3540 N N . LYS A 484 ? 0.2406 0.4930 0.4318 0.0415 -0.1423 0.0991 507 LYS A N 3541 C CA . LYS A 484 ? 0.2229 0.4725 0.4358 0.0410 -0.1319 0.0960 507 LYS A CA 3542 C C . LYS A 484 ? 0.2012 0.4504 0.4210 0.0254 -0.1223 0.0895 507 LYS A C 3543 O O . LYS A 484 ? 0.2294 0.4970 0.4552 0.0153 -0.1244 0.0795 507 LYS A O 3544 C CB . LYS A 484 ? 0.3076 0.5820 0.5459 0.0478 -0.1357 0.0866 507 LYS A CB 3545 C CG . LYS A 484 ? 0.3393 0.6088 0.5977 0.0474 -0.1238 0.0837 507 LYS A CG 3546 C CD . LYS A 484 ? 0.3536 0.6527 0.6402 0.0439 -0.1231 0.0693 507 LYS A CD 3547 C CE . LYS A 484 ? 0.4249 0.7292 0.7274 0.0572 -0.1224 0.0686 507 LYS A CE 3548 N NZ . LYS A 484 ? 0.5326 0.8613 0.8637 0.0502 -0.1159 0.0542 507 LYS A NZ 3549 N N . PRO A 485 ? 0.2009 0.4291 0.4194 0.0230 -0.1118 0.0942 508 PRO A N 3550 C CA . PRO A 485 ? 0.2335 0.4527 0.4490 0.0095 -0.1003 0.0857 508 PRO A CA 3551 C C . PRO A 485 ? 0.2024 0.4357 0.4421 0.0037 -0.0937 0.0738 508 PRO A C 3552 O O . PRO A 485 ? 0.1621 0.4034 0.4219 0.0102 -0.0924 0.0732 508 PRO A O 3553 C CB . PRO A 485 ? 0.2377 0.4273 0.4402 0.0112 -0.0905 0.0927 508 PRO A CB 3554 C CG . PRO A 485 ? 0.3507 0.5362 0.5597 0.0244 -0.0937 0.1018 508 PRO A CG 3555 C CD . PRO A 485 ? 0.1947 0.3986 0.4049 0.0324 -0.1076 0.1048 508 PRO A CD 3556 N N . ALA A 486 ? 0.1776 0.4135 0.4146 -0.0091 -0.0890 0.0637 509 ALA A N 3557 C CA . ALA A 486 ? 0.1651 0.4041 0.4187 -0.0172 -0.0781 0.0530 509 ALA A CA 3558 C C . ALA A 486 ? 0.1641 0.3775 0.4141 -0.0148 -0.0657 0.0569 509 ALA A C 3559 O O . ALA A 486 ? 0.1632 0.3561 0.3949 -0.0109 -0.0645 0.0652 509 ALA A O 3560 C CB . ALA A 486 ? 0.1806 0.4200 0.4265 -0.0313 -0.0741 0.0426 509 ALA A CB 3561 N N . PRO A 487 ? 0.1406 0.3554 0.4072 -0.0175 -0.0561 0.0505 510 PRO A N 3562 C CA . PRO A 487 ? 0.1521 0.3431 0.4140 -0.0148 -0.0447 0.0539 510 PRO A CA 3563 C C . PRO A 487 ? 0.1967 0.3629 0.4342 -0.0199 -0.0381 0.0548 510 PRO A C 3564 O O . PRO A 487 ? 0.1383 0.3029 0.3682 -0.0291 -0.0351 0.0480 510 PRO A O 3565 C CB . PRO A 487 ? 0.1330 0.3318 0.4151 -0.0199 -0.0348 0.0445 510 PRO A CB 3566 C CG . PRO A 487 ? 0.1374 0.3709 0.4423 -0.0210 -0.0441 0.0380 510 PRO A CG 3567 C CD . PRO A 487 ? 0.1404 0.3787 0.4301 -0.0245 -0.0543 0.0388 510 PRO A CD 3568 N N . ASN A 488 ? 0.1334 0.2808 0.3585 -0.0135 -0.0359 0.0626 511 ASN A N 3569 C CA . ASN A 488 ? 0.1550 0.2827 0.3580 -0.0165 -0.0313 0.0635 511 ASN A CA 3570 C C . ASN A 488 ? 0.1977 0.3068 0.3948 -0.0109 -0.0247 0.0681 511 ASN A C 3571 O O . ASN A 488 ? 0.2087 0.3184 0.4181 -0.0056 -0.0227 0.0702 511 ASN A O 3572 C CB . ASN A 488 ? 0.1378 0.2687 0.3263 -0.0169 -0.0404 0.0675 511 ASN A CB 3573 C CG . ASN A 488 ? 0.1403 0.2693 0.3251 -0.0086 -0.0470 0.0778 511 ASN A CG 3574 O OD1 . ASN A 488 ? 0.1664 0.2800 0.3377 -0.0068 -0.0440 0.0823 511 ASN A OD1 3575 N ND2 . ASN A 488 ? 0.2121 0.3562 0.4078 -0.0036 -0.0559 0.0812 511 ASN A ND2 3576 N N . ASN A 489 ? 0.1630 0.2566 0.3416 -0.0119 -0.0212 0.0688 512 ASN A N 3577 C CA . ASN A 489 ? 0.1294 0.2068 0.3015 -0.0077 -0.0147 0.0710 512 ASN A CA 3578 C C . ASN A 489 ? 0.1281 0.2016 0.2928 -0.0034 -0.0191 0.0780 512 ASN A C 3579 O O . ASN A 489 ? 0.2004 0.2626 0.3610 -0.0003 -0.0145 0.0794 512 ASN A O 3580 C CB . ASN A 489 ? 0.1296 0.1932 0.2868 -0.0103 -0.0074 0.0663 512 ASN A CB 3581 C CG . ASN A 489 ? 0.1670 0.2296 0.3290 -0.0154 -0.0010 0.0596 512 ASN A CG 3582 O OD1 . ASN A 489 ? 0.1748 0.2357 0.3291 -0.0208 0.0002 0.0549 512 ASN A OD1 3583 N ND2 . ASN A 489 ? 0.1536 0.2176 0.3291 -0.0146 0.0036 0.0586 512 ASN A ND2 3584 N N . GLY A 490 ? 0.1349 0.2166 0.2960 -0.0039 -0.0273 0.0820 513 GLY A N 3585 C CA . GLY A 490 ? 0.1475 0.2243 0.3024 -0.0004 -0.0308 0.0894 513 GLY A CA 3586 C C . GLY A 490 ? 0.1521 0.2264 0.3191 0.0061 -0.0304 0.0937 513 GLY A C 3587 O O . GLY A 490 ? 0.2425 0.3241 0.4250 0.0084 -0.0296 0.0912 513 GLY A O 3588 N N . THR A 491 ? 0.1791 0.2424 0.3390 0.0088 -0.0300 0.0993 514 THR A N 3589 C CA . THR A 491 ? 0.2085 0.2659 0.3774 0.0156 -0.0293 0.1037 514 THR A CA 3590 C C . THR A 491 ? 0.1797 0.2374 0.3439 0.0195 -0.0372 0.1124 514 THR A C 3591 O O . THR A 491 ? 0.2278 0.2745 0.3769 0.0176 -0.0371 0.1171 514 THR A O 3592 C CB . THR A 491 ? 0.2733 0.3150 0.4370 0.0155 -0.0214 0.1028 514 THR A CB 3593 O OG1 . THR A 491 ? 0.2054 0.2468 0.3722 0.0135 -0.0149 0.0953 514 THR A OG1 3594 C CG2 . THR A 491 ? 0.2196 0.2529 0.3912 0.0225 -0.0202 0.1071 514 THR A CG2 3595 N N . HIS A 492 ? 0.2031 0.2739 0.3795 0.0251 -0.0439 0.1141 515 HIS A N 3596 C CA . HIS A 492 ? 0.1805 0.2545 0.3506 0.0299 -0.0534 0.1221 515 HIS A CA 3597 C C . HIS A 492 ? 0.2357 0.2901 0.3978 0.0362 -0.0522 0.1310 515 HIS A C 3598 O O . HIS A 492 ? 0.1988 0.2473 0.3719 0.0433 -0.0491 0.1317 515 HIS A O 3599 C CB . HIS A 492 ? 0.2060 0.3014 0.3938 0.0357 -0.0613 0.1206 515 HIS A CB 3600 C CG . HIS A 492 ? 0.2419 0.3467 0.4210 0.0386 -0.0728 0.1262 515 HIS A CG 3601 N ND1 . HIS A 492 ? 0.1967 0.3237 0.3899 0.0446 -0.0822 0.1250 515 HIS A ND1 3602 C CD2 . HIS A 492 ? 0.2060 0.3017 0.3629 0.0363 -0.0764 0.1328 515 HIS A CD2 3603 C CE1 . HIS A 492 ? 0.2170 0.3465 0.3943 0.0462 -0.0912 0.1297 515 HIS A CE1 3604 N NE2 . HIS A 492 ? 0.2173 0.3284 0.3735 0.0413 -0.0882 0.1360 515 HIS A NE2 3605 N N . GLY A 493 ? 0.2623 0.3051 0.4040 0.0331 -0.0536 0.1372 516 GLY A N 3606 C CA . GLY A 493 ? 0.2711 0.2911 0.4008 0.0364 -0.0504 0.1452 516 GLY A CA 3607 C C . GLY A 493 ? 0.3047 0.3097 0.4228 0.0268 -0.0407 0.1423 516 GLY A C 3608 O O . GLY A 493 ? 0.2782 0.2638 0.3822 0.0258 -0.0374 0.1483 516 GLY A O 3609 N N . SER A 494 ? 0.2305 0.2441 0.3538 0.0198 -0.0361 0.1329 517 SER A N 3610 C CA . SER A 494 ? 0.2736 0.2770 0.3883 0.0119 -0.0277 0.1287 517 SER A CA 3611 C C . SER A 494 ? 0.2611 0.2612 0.3573 0.0041 -0.0277 0.1311 517 SER A C 3612 O O . SER A 494 ? 0.2521 0.2435 0.3406 -0.0027 -0.0208 0.1284 517 SER A O 3613 C CB . SER A 494 ? 0.2734 0.2872 0.3967 0.0086 -0.0238 0.1184 517 SER A CB 3614 O OG . SER A 494 ? 0.2864 0.3140 0.4063 0.0043 -0.0272 0.1147 517 SER A OG 3615 N N . LEU A 495 ? 0.2414 0.2494 0.3304 0.0044 -0.0348 0.1354 518 LEU A N 3616 C CA . LEU A 495 ? 0.2407 0.2456 0.3109 -0.0031 -0.0343 0.1379 518 LEU A CA 3617 C C . LEU A 495 ? 0.2944 0.2845 0.3496 0.0004 -0.0376 0.1497 518 LEU A C 3618 O O . LEU A 495 ? 0.2865 0.2754 0.3247 -0.0045 -0.0389 0.1532 518 LEU A O 3619 C CB . LEU A 495 ? 0.2863 0.3098 0.3551 -0.0066 -0.0390 0.1331 518 LEU A CB 3620 C CG . LEU A 495 ? 0.2549 0.2904 0.3322 -0.0104 -0.0355 0.1219 518 LEU A CG 3621 C CD1 . LEU A 495 ? 0.2248 0.2726 0.2938 -0.0152 -0.0386 0.1184 518 LEU A CD1 3622 C CD2 . LEU A 495 ? 0.2042 0.2321 0.2795 -0.0154 -0.0265 0.1170 518 LEU A CD2 3623 N N . ASN A 496 ? 0.3324 0.3103 0.3924 0.0095 -0.0387 0.1560 519 ASN A N 3624 C CA . ASN A 496 ? 0.3482 0.3098 0.3924 0.0155 -0.0425 0.1682 519 ASN A CA 3625 C C . ASN A 496 ? 0.3598 0.2988 0.3815 0.0065 -0.0339 0.1719 519 ASN A C 3626 O O . ASN A 496 ? 0.3547 0.2807 0.3557 0.0084 -0.0358 0.1790 519 ASN A O 3627 C CB . ASN A 496 ? 0.3826 0.3356 0.4358 0.0278 -0.0433 0.1685 519 ASN A CB 3628 C CG . ASN A 496 ? 0.3612 0.3365 0.4316 0.0380 -0.0535 0.1666 519 ASN A CG 3629 O OD1 . ASN A 496 ? 0.3200 0.3165 0.3953 0.0355 -0.0602 0.1649 519 ASN A OD1 3630 N ND2 . ASN A 496 ? 0.3639 0.3349 0.4433 0.0491 -0.0543 0.1662 519 ASN A ND2 3631 N N . HIS A 497 ? 0.3631 0.2980 0.3870 -0.0036 -0.0238 0.1647 520 HIS A N 3632 C CA . HIS A 497 ? 0.4185 0.3352 0.4232 -0.0147 -0.0145 0.1665 520 HIS A CA 3633 C C . HIS A 497 ? 0.4508 0.3769 0.4406 -0.0236 -0.0150 0.1660 520 HIS A C 3634 O O . HIS A 497 ? 0.5275 0.4391 0.4997 -0.0334 -0.0071 0.1680 520 HIS A O 3635 C CB . HIS A 497 ? 0.3185 0.2336 0.3322 -0.0234 -0.0043 0.1561 520 HIS A CB 3636 C CG . HIS A 497 ? 0.3387 0.2798 0.3680 -0.0265 -0.0052 0.1439 520 HIS A CG 3637 N ND1 . HIS A 497 ? 0.3363 0.2937 0.3826 -0.0179 -0.0120 0.1407 520 HIS A ND1 3638 C CD2 . HIS A 497 ? 0.3880 0.3407 0.4178 -0.0368 0.0003 0.1340 520 HIS A CD2 3639 C CE1 . HIS A 497 ? 0.4014 0.3760 0.4555 -0.0226 -0.0104 0.1303 520 HIS A CE1 3640 N NE2 . HIS A 497 ? 0.3152 0.2884 0.3602 -0.0331 -0.0036 0.1261 520 HIS A NE2 3641 N N . LEU A 498 ? 0.3411 0.2908 0.3375 -0.0215 -0.0230 0.1623 521 LEU A N 3642 C CA . LEU A 498 ? 0.3447 0.3024 0.3254 -0.0287 -0.0239 0.1623 521 LEU A CA 3643 C C . LEU A 498 ? 0.3958 0.3442 0.3573 -0.0228 -0.0314 0.1746 521 LEU A C 3644 O O . LEU A 498 ? 0.3888 0.3382 0.3319 -0.0294 -0.0308 0.1764 521 LEU A O 3645 C CB . LEU A 498 ? 0.4032 0.3882 0.3967 -0.0296 -0.0285 0.1522 521 LEU A CB 3646 C CG . LEU A 498 ? 0.3885 0.3869 0.3952 -0.0360 -0.0222 0.1390 521 LEU A CG 3647 C CD1 . LEU A 498 ? 0.3189 0.3134 0.3427 -0.0320 -0.0190 0.1352 521 LEU A CD1 3648 C CD2 . LEU A 498 ? 0.3557 0.3757 0.3698 -0.0347 -0.0278 0.1319 521 LEU A CD2 3649 N N . LEU A 499 ? 0.4229 0.3644 0.3883 -0.0097 -0.0389 0.1827 522 LEU A N 3650 C CA . LEU A 499 ? 0.4486 0.3895 0.4002 -0.0004 -0.0490 0.1901 522 LEU A CA 3651 C C . LEU A 499 ? 0.4190 0.3287 0.3483 0.0050 -0.0452 0.1980 522 LEU A C 3652 O O . LEU A 499 ? 0.4256 0.3169 0.3585 0.0073 -0.0385 0.1979 522 LEU A O 3653 C CB . LEU A 499 ? 0.4734 0.4341 0.4465 0.0122 -0.0606 0.1878 522 LEU A CB 3654 C CG . LEU A 499 ? 0.4094 0.3993 0.4031 0.0080 -0.0644 0.1784 522 LEU A CG 3655 C CD1 . LEU A 499 ? 0.4025 0.4053 0.4220 0.0186 -0.0703 0.1755 522 LEU A CD1 3656 C CD2 . LEU A 499 ? 0.3675 0.3736 0.3496 0.0048 -0.0719 0.1774 522 LEU A CD2 3657 N N . LYS A 500 ? 0.4474 0.3499 0.3519 0.0077 -0.0496 0.2047 523 LYS A N 3658 C CA . LYS A 500 ? 0.5445 0.4141 0.4225 0.0144 -0.0463 0.2134 523 LYS A CA 3659 C C . LYS A 500 ? 0.6601 0.5235 0.5454 0.0324 -0.0543 0.2162 523 LYS A C 3660 O O . LYS A 500 ? 0.7229 0.5571 0.5979 0.0369 -0.0483 0.2199 523 LYS A O 3661 C CB . LYS A 500 ? 0.5913 0.4563 0.4400 0.0139 -0.0497 0.2197 523 LYS A CB 3662 C CG . LYS A 500 ? 0.7033 0.5500 0.5295 -0.0013 -0.0354 0.2211 523 LYS A CG 3663 C CD . LYS A 500 ? 0.8002 0.6453 0.5987 -0.0022 -0.0380 0.2263 523 LYS A CD 3664 C CE . LYS A 500 ? 0.8076 0.6432 0.5906 -0.0201 -0.0226 0.2246 523 LYS A CE 3665 N NZ . LYS A 500 ? 0.8450 0.7039 0.6224 -0.0282 -0.0267 0.2205 523 LYS A NZ 3666 N N . ASN A 501 ? 0.5896 0.4797 0.4914 0.0426 -0.0678 0.2140 524 ASN A N 3667 C CA . ASN A 501 ? 0.6057 0.4965 0.5197 0.0595 -0.0755 0.2144 524 ASN A CA 3668 C C . ASN A 501 ? 0.5179 0.4454 0.4668 0.0607 -0.0824 0.2054 524 ASN A C 3669 O O . ASN A 501 ? 0.5032 0.4558 0.4575 0.0641 -0.0934 0.2032 524 ASN A O 3670 C CB . ASN A 501 ? 0.7049 0.5864 0.5965 0.0741 -0.0863 0.2220 524 ASN A CB 3671 C CG . ASN A 501 ? 0.8530 0.6958 0.7053 0.0718 -0.0794 0.2315 524 ASN A CG 3672 O OD1 . ASN A 501 ? 0.8718 0.7138 0.7031 0.0649 -0.0785 0.2347 524 ASN A OD1 3673 N ND2 . ASN A 501 ? 0.9095 0.7185 0.7508 0.0762 -0.0736 0.2354 524 ASN A ND2 3674 N N . PRO A 502 ? 0.5561 0.4868 0.5279 0.0572 -0.0754 0.1993 525 PRO A N 3675 C CA . PRO A 502 ? 0.4936 0.4556 0.4969 0.0568 -0.0796 0.1904 525 PRO A CA 3676 C C . PRO A 502 ? 0.4578 0.4398 0.4731 0.0706 -0.0922 0.1888 525 PRO A C 3677 O O . PRO A 502 ? 0.5053 0.4760 0.5170 0.0841 -0.0955 0.1922 525 PRO A O 3678 C CB . PRO A 502 ? 0.4980 0.4501 0.5172 0.0553 -0.0696 0.1861 525 PRO A CB 3679 C CG . PRO A 502 ? 0.4310 0.3519 0.4279 0.0478 -0.0587 0.1906 525 PRO A CG 3680 C CD . PRO A 502 ? 0.5577 0.4609 0.5257 0.0538 -0.0631 0.1998 525 PRO A CD 3681 N N . PHE A 503 ? 0.4435 0.4556 0.4729 0.0669 -0.0992 0.1828 526 PHE A N 3682 C CA . PHE A 503 ? 0.4768 0.5127 0.5193 0.0779 -0.1113 0.1792 526 PHE A CA 3683 C C . PHE A 503 ? 0.4938 0.5427 0.5668 0.0831 -0.1096 0.1718 526 PHE A C 3684 O O . PHE A 503 ? 0.4223 0.4850 0.5063 0.0952 -0.1178 0.1693 526 PHE A O 3685 C CB . PHE A 503 ? 0.4237 0.4863 0.4685 0.0702 -0.1187 0.1741 526 PHE A CB 3686 C CG . PHE A 503 ? 0.3982 0.4904 0.4611 0.0784 -0.1304 0.1671 526 PHE A CG 3687 C CD1 . PHE A 503 ? 0.4415 0.5347 0.4937 0.0922 -0.1412 0.1705 526 PHE A CD1 3688 C CD2 . PHE A 503 ? 0.3610 0.4796 0.4509 0.0719 -0.1304 0.1564 526 PHE A CD2 3689 C CE1 . PHE A 503 ? 0.4712 0.5944 0.5420 0.0996 -0.1523 0.1624 526 PHE A CE1 3690 C CE2 . PHE A 503 ? 0.3309 0.4777 0.4385 0.0776 -0.1399 0.1484 526 PHE A CE2 3691 C CZ . PHE A 503 ? 0.3949 0.5457 0.4941 0.0913 -0.1511 0.1509 526 PHE A CZ 3692 N N . TYR A 504 ? 0.3993 0.4442 0.4853 0.0746 -0.0991 0.1679 527 TYR A N 3693 C CA . TYR A 504 ? 0.3578 0.4143 0.4716 0.0774 -0.0957 0.1603 527 TYR A CA 3694 C C . TYR A 504 ? 0.4078 0.4383 0.5196 0.0793 -0.0851 0.1625 527 TYR A C 3695 O O . TYR A 504 ? 0.4167 0.4288 0.5167 0.0701 -0.0766 0.1649 527 TYR A O 3696 C CB . TYR A 504 ? 0.2725 0.3481 0.4040 0.0656 -0.0925 0.1521 527 TYR A CB 3697 C CG . TYR A 504 ? 0.2557 0.3425 0.4139 0.0686 -0.0884 0.1443 527 TYR A CG 3698 C CD1 . TYR A 504 ? 0.2700 0.3803 0.4461 0.0763 -0.0955 0.1387 527 TYR A CD1 3699 C CD2 . TYR A 504 ? 0.3182 0.3925 0.4833 0.0639 -0.0772 0.1420 527 TYR A CD2 3700 C CE1 . TYR A 504 ? 0.2685 0.3889 0.4685 0.0785 -0.0906 0.1312 527 TYR A CE1 3701 C CE2 . TYR A 504 ? 0.2927 0.3758 0.4802 0.0665 -0.0726 0.1349 527 TYR A CE2 3702 C CZ . TYR A 504 ? 0.3023 0.4081 0.5072 0.0734 -0.0788 0.1297 527 TYR A CZ 3703 O OH . TYR A 504 ? 0.3911 0.5054 0.6179 0.0749 -0.0728 0.1224 527 TYR A OH 3704 N N . ASN A 505 ? 0.3895 0.4200 0.5139 0.0905 -0.0852 0.1604 528 ASN A N 3705 C CA . ASN A 505 ? 0.3266 0.3326 0.4494 0.0920 -0.0749 0.1612 528 ASN A CA 3706 C C . ASN A 505 ? 0.3249 0.3435 0.4741 0.0907 -0.0687 0.1523 528 ASN A C 3707 O O . ASN A 505 ? 0.3881 0.4252 0.5556 0.0993 -0.0731 0.1476 528 ASN A O 3708 C CB . ASN A 505 ? 0.4858 0.4734 0.5955 0.1068 -0.0785 0.1672 528 ASN A CB 3709 C CG . ASN A 505 ? 0.5795 0.5379 0.6828 0.1073 -0.0678 0.1682 528 ASN A CG 3710 O OD1 . ASN A 505 ? 0.6588 0.5963 0.7470 0.0970 -0.0596 0.1707 528 ASN A OD1 3711 N ND2 . ASN A 505 ? 0.6312 0.5888 0.7463 0.1190 -0.0677 0.1655 528 ASN A ND2 3712 N N . PRO A 506 ? 0.3837 0.3939 0.5358 0.0804 -0.0585 0.1490 529 PRO A N 3713 C CA . PRO A 506 ? 0.3478 0.3718 0.5233 0.0780 -0.0531 0.1402 529 PRO A CA 3714 C C . PRO A 506 ? 0.3376 0.3558 0.5235 0.0881 -0.0493 0.1376 529 PRO A C 3715 O O . PRO A 506 ? 0.3452 0.3411 0.5182 0.0944 -0.0472 0.1420 529 PRO A O 3716 C CB . PRO A 506 ? 0.3520 0.3641 0.5217 0.0658 -0.0439 0.1384 529 PRO A CB 3717 C CG . PRO A 506 ? 0.2833 0.2692 0.4292 0.0645 -0.0413 0.1453 529 PRO A CG 3718 C CD . PRO A 506 ? 0.3245 0.3126 0.4579 0.0705 -0.0513 0.1523 529 PRO A CD 3719 N N . SER A 507 ? 0.3591 0.3970 0.5680 0.0890 -0.0477 0.1298 530 SER A N 3720 C CA . SER A 507 ? 0.4324 0.4713 0.6559 0.0977 -0.0435 0.1253 530 SER A CA 3721 C C . SER A 507 ? 0.3432 0.3755 0.5745 0.0902 -0.0314 0.1192 530 SER A C 3722 O O . SER A 507 ? 0.3192 0.3608 0.5561 0.0805 -0.0286 0.1154 530 SER A O 3723 C CB . SER A 507 ? 0.4572 0.5270 0.7021 0.1040 -0.0505 0.1198 530 SER A CB 3724 O OG . SER A 507 ? 0.5257 0.6057 0.7632 0.1099 -0.0629 0.1242 530 SER A OG 3725 N N . PRO A 508 ? 0.3885 0.4039 0.6188 0.0948 -0.0242 0.1179 531 PRO A N 3726 C CA . PRO A 508 ? 0.4584 0.4696 0.6964 0.0888 -0.0130 0.1111 531 PRO A CA 3727 C C . PRO A 508 ? 0.4032 0.4390 0.6648 0.0891 -0.0116 0.1036 531 PRO A C 3728 O O . PRO A 508 ? 0.4087 0.4619 0.6836 0.0974 -0.0171 0.1020 531 PRO A O 3729 C CB . PRO A 508 ? 0.4070 0.3969 0.6393 0.0958 -0.0072 0.1111 531 PRO A CB 3730 C CG . PRO A 508 ? 0.4004 0.3796 0.6192 0.1044 -0.0148 0.1188 531 PRO A CG 3731 C CD . PRO A 508 ? 0.3767 0.3788 0.6011 0.1075 -0.0261 0.1213 531 PRO A CD 3732 N N . ALA A 509 ? 0.4136 0.4505 0.6797 0.0801 -0.0036 0.0983 532 ALA A N 3733 C CA . ALA A 509 ? 0.4457 0.5016 0.7326 0.0790 0.0010 0.0904 532 ALA A CA 3734 C C . ALA A 509 ? 0.4833 0.5354 0.7796 0.0863 0.0079 0.0859 532 ALA A C 3735 O O . ALA A 509 ? 0.5273 0.5579 0.8130 0.0871 0.0144 0.0863 532 ALA A O 3736 C CB . ALA A 509 ? 0.5230 0.5765 0.8083 0.0683 0.0086 0.0867 532 ALA A CB 3737 N N . LYS A 510 ? 0.4413 0.5152 0.7575 0.0914 0.0068 0.0806 533 LYS A N 3738 C CA . LYS A 510 ? 0.4948 0.5677 0.8215 0.0984 0.0139 0.0754 533 LYS A CA 3739 C C . LYS A 510 ? 0.4372 0.5098 0.7709 0.0899 0.0269 0.0677 533 LYS A C 3740 O O . LYS A 510 ? 0.4065 0.4933 0.7481 0.0816 0.0289 0.0638 533 LYS A O 3741 C CB . LYS A 510 ? 0.5356 0.6336 0.8807 0.1086 0.0071 0.0721 533 LYS A CB 3742 C CG . LYS A 510 ? 0.5868 0.7153 0.9528 0.1026 0.0079 0.0638 533 LYS A CG 3743 C CD . LYS A 510 ? 0.6113 0.7665 0.9965 0.1138 0.0019 0.0588 533 LYS A CD 3744 C CE . LYS A 510 ? 0.6167 0.7832 0.9973 0.1213 -0.0139 0.0644 533 LYS A CE 3745 N NZ . LYS A 510 ? 0.6142 0.8035 1.0100 0.1362 -0.0207 0.0605 533 LYS A NZ 3746 N N . GLU A 511 ? 0.4107 0.4647 0.7386 0.0915 0.0361 0.0657 534 GLU A N 3747 C CA . GLU A 511 ? 0.3698 0.4214 0.7018 0.0851 0.0492 0.0583 534 GLU A CA 3748 C C . GLU A 511 ? 0.2804 0.3581 0.6353 0.0847 0.0523 0.0505 534 GLU A C 3749 O O . GLU A 511 ? 0.2962 0.3899 0.6649 0.0934 0.0473 0.0488 534 GLU A O 3750 C CB . GLU A 511 ? 0.3510 0.3820 0.6752 0.0892 0.0573 0.0564 534 GLU A CB 3751 C CG . GLU A 511 ? 0.3135 0.3393 0.6384 0.0832 0.0714 0.0488 534 GLU A CG 3752 C CD . GLU A 511 ? 0.3684 0.3692 0.6775 0.0840 0.0782 0.0479 534 GLU A CD 3753 O OE1 . GLU A 511 ? 0.4089 0.4038 0.7200 0.0922 0.0784 0.0474 534 GLU A OE1 3754 O OE2 . GLU A 511 ? 0.3347 0.3218 0.6285 0.0767 0.0832 0.0471 534 GLU A OE2 3755 N N . GLN A 512 ? 0.2686 0.3512 0.6265 0.0746 0.0605 0.0454 535 GLN A N 3756 C CA . GLN A 512 ? 0.2773 0.3826 0.6550 0.0715 0.0662 0.0364 535 GLN A CA 3757 C C . GLN A 512 ? 0.2809 0.3784 0.6609 0.0710 0.0806 0.0294 535 GLN A C 3758 O O . GLN A 512 ? 0.2287 0.3448 0.6262 0.0719 0.0849 0.0217 535 GLN A O 3759 C CB . GLN A 512 ? 0.3608 0.4757 0.7396 0.0593 0.0683 0.0338 535 GLN A CB 3760 C CG . GLN A 512 ? 0.4532 0.5795 0.8313 0.0584 0.0545 0.0390 535 GLN A CG 3761 C CD . GLN A 512 ? 0.5932 0.7441 0.9872 0.0666 0.0434 0.0380 535 GLN A CD 3762 O OE1 . GLN A 512 ? 0.6590 0.8062 1.0469 0.0760 0.0323 0.0452 535 GLN A OE1 3763 N NE2 . GLN A 512 ? 0.5621 0.7382 0.9751 0.0632 0.0466 0.0285 535 GLN A NE2 3764 N N . SER A 513 ? 0.2774 0.3492 0.6395 0.0693 0.0879 0.0312 536 SER A N 3765 C CA . SER A 513 ? 0.2673 0.3293 0.6275 0.0677 0.1022 0.0245 536 SER A CA 3766 C C . SER A 513 ? 0.2219 0.2625 0.5697 0.0749 0.1026 0.0271 536 SER A C 3767 O O . SER A 513 ? 0.2333 0.2536 0.5615 0.0723 0.1024 0.0312 536 SER A O 3768 C CB . SER A 513 ? 0.2867 0.3375 0.6336 0.0568 0.1130 0.0221 536 SER A CB 3769 O OG . SER A 513 ? 0.2855 0.3541 0.6428 0.0486 0.1150 0.0181 536 SER A OG 3770 N N . PRO A 514 ? 0.2755 0.3203 0.6337 0.0837 0.1031 0.0243 537 PRO A N 3771 C CA . PRO A 514 ? 0.2837 0.3059 0.6287 0.0892 0.1055 0.0256 537 PRO A CA 3772 C C . PRO A 514 ? 0.3693 0.3781 0.7051 0.0835 0.1202 0.0189 537 PRO A C 3773 O O . PRO A 514 ? 0.3711 0.3893 0.7131 0.0771 0.1290 0.0131 537 PRO A O 3774 C CB . PRO A 514 ? 0.3123 0.3450 0.6723 0.1018 0.1010 0.0246 537 PRO A CB 3775 C CG . PRO A 514 ? 0.3181 0.3800 0.7012 0.1009 0.1036 0.0176 537 PRO A CG 3776 C CD . PRO A 514 ? 0.3152 0.3860 0.6972 0.0897 0.1013 0.0193 537 PRO A CD 3777 N N . PRO A 515 ? 0.3897 0.3757 0.7086 0.0845 0.1236 0.0190 538 PRO A N 3778 C CA . PRO A 515 ? 0.3786 0.3514 0.6854 0.0788 0.1370 0.0125 538 PRO A CA 3779 C C . PRO A 515 ? 0.4129 0.3949 0.7340 0.0817 0.1469 0.0045 538 PRO A C 3780 O O . PRO A 515 ? 0.3861 0.3786 0.7231 0.0908 0.1435 0.0036 538 PRO A O 3781 C CB . PRO A 515 ? 0.3671 0.3162 0.6544 0.0801 0.1361 0.0139 538 PRO A CB 3782 C CG . PRO A 515 ? 0.4100 0.3580 0.6949 0.0828 0.1228 0.0224 538 PRO A CG 3783 C CD . PRO A 515 ? 0.4137 0.3837 0.7202 0.0890 0.1155 0.0251 538 PRO A CD 3784 N N . LEU A 516 ? 0.4430 0.4205 0.7565 0.0742 0.1594 -0.0015 539 LEU A N 3785 C CA . LEU A 516 ? 0.3388 0.3175 0.6577 0.0749 0.1716 -0.0099 539 LEU A CA 3786 C C . LEU A 516 ? 0.4382 0.3929 0.7366 0.0752 0.1778 -0.0125 539 LEU A C 3787 O O . LEU A 516 ? 0.4126 0.3512 0.6935 0.0743 0.1727 -0.0084 539 LEU A O 3788 C CB . LEU A 516 ? 0.3366 0.3225 0.6559 0.0653 0.1826 -0.0150 539 LEU A CB 3789 C CG . LEU A 516 ? 0.3779 0.3838 0.7113 0.0617 0.1764 -0.0124 539 LEU A CG 3790 C CD1 . LEU A 516 ? 0.3833 0.3897 0.7106 0.0504 0.1886 -0.0172 539 LEU A CD1 3791 C CD2 . LEU A 516 ? 0.4993 0.5311 0.8611 0.0698 0.1691 -0.0140 539 LEU A CD2 3792 N N . TYR A 517 ? 0.4686 0.4218 0.7688 0.0756 0.1893 -0.0202 540 TYR A N 3793 C CA . TYR A 517 ? 0.5189 0.4512 0.8012 0.0759 0.1960 -0.0243 540 TYR A CA 3794 C C . TYR A 517 ? 0.5076 0.4284 0.7689 0.0667 0.2077 -0.0289 540 TYR A C 3795 O O . TYR A 517 ? 0.5114 0.4408 0.7778 0.0621 0.2171 -0.0331 540 TYR A O 3796 C CB . TYR A 517 ? 0.5326 0.4690 0.8288 0.0837 0.2014 -0.0304 540 TYR A CB 3797 C CG . TYR A 517 ? 0.6499 0.5909 0.9602 0.0951 0.1908 -0.0263 540 TYR A CG 3798 C CD1 . TYR A 517 ? 0.6841 0.6207 0.9899 0.0968 0.1780 -0.0177 540 TYR A CD1 3799 C CD2 . TYR A 517 ? 0.6404 0.5893 0.9671 0.1048 0.1936 -0.0310 540 TYR A CD2 3800 C CE1 . TYR A 517 ? 0.7630 0.7011 1.0783 0.1077 0.1685 -0.0134 540 TYR A CE1 3801 C CE2 . TYR A 517 ? 0.7237 0.6746 1.0603 0.1170 0.1838 -0.0270 540 TYR A CE2 3802 C CZ . TYR A 517 ? 0.8139 0.7583 1.1438 0.1183 0.1714 -0.0180 540 TYR A CZ 3803 O OH . TYR A 517 ? 0.8619 0.8057 1.1988 0.1309 0.1620 -0.0135 540 TYR A OH 3804 N N . CYS A 518 ? 0.3915 0.2927 0.6282 0.0640 0.2074 -0.0286 541 CYS A N 3805 C CA . CYS A 518 ? 0.4719 0.3593 0.6851 0.0577 0.2187 -0.0341 541 CYS A CA 3806 C C . CYS A 518 ? 0.5409 0.4168 0.7487 0.0609 0.2244 -0.0408 541 CYS A C 3807 O O . CYS A 518 ? 0.5533 0.4199 0.7575 0.0646 0.2181 -0.0400 541 CYS A O 3808 C CB . CYS A 518 ? 0.5447 0.4200 0.7327 0.0529 0.2147 -0.0308 541 CYS A CB 3809 S SG . CYS A 518 ? 0.6269 0.5140 0.8194 0.0483 0.2130 -0.0250 541 CYS A SG 3810 N N . LEU A 519 ? 0.5473 0.4246 0.7565 0.0595 0.2366 -0.0475 542 LEU A N 3811 C CA . LEU A 519 ? 0.5187 0.3873 0.7257 0.0629 0.2435 -0.0546 542 LEU A CA 3812 C C . LEU A 519 ? 0.5081 0.3571 0.6831 0.0570 0.2498 -0.0592 542 LEU A C 3813 O O . LEU A 519 ? 0.5137 0.3590 0.6713 0.0506 0.2551 -0.0593 542 LEU A O 3814 C CB . LEU A 519 ? 0.4802 0.3623 0.7059 0.0645 0.2536 -0.0602 542 LEU A CB 3815 C CG . LEU A 519 ? 0.4652 0.3679 0.7240 0.0732 0.2487 -0.0592 542 LEU A CG 3816 C CD1 . LEU A 519 ? 0.5388 0.4532 0.8098 0.0752 0.2354 -0.0506 542 LEU A CD1 3817 C CD2 . LEU A 519 ? 0.5489 0.4683 0.8233 0.0712 0.2593 -0.0652 542 LEU A CD2 3818 N N . PHE A 520 ? 0.4586 0.2942 0.6245 0.0595 0.2488 -0.0631 543 PHE A N 3819 C CA . PHE A 520 ? 0.4786 0.2975 0.6160 0.0547 0.2558 -0.0699 543 PHE A CA 3820 C C . PHE A 520 ? 0.4959 0.3165 0.6317 0.0525 0.2700 -0.0761 543 PHE A C 3821 O O . PHE A 520 ? 0.4974 0.3298 0.6566 0.0564 0.2747 -0.0778 543 PHE A O 3822 C CB . PHE A 520 ? 0.4915 0.2972 0.6238 0.0574 0.2533 -0.0744 543 PHE A CB 3823 C CG . PHE A 520 ? 0.5072 0.2966 0.6084 0.0519 0.2554 -0.0807 543 PHE A CG 3824 C CD1 . PHE A 520 ? 0.4984 0.2825 0.5843 0.0488 0.2462 -0.0785 543 PHE A CD1 3825 C CD2 . PHE A 520 ? 0.5321 0.3125 0.6193 0.0500 0.2662 -0.0896 543 PHE A CD2 3826 C CE1 . PHE A 520 ? 0.5140 0.2853 0.5715 0.0442 0.2471 -0.0856 543 PHE A CE1 3827 C CE2 . PHE A 520 ? 0.5482 0.3148 0.6058 0.0452 0.2671 -0.0962 543 PHE A CE2 3828 C CZ . PHE A 520 ? 0.5390 0.3016 0.5818 0.0424 0.2571 -0.0945 543 PHE A CZ 3829 N N . GLY A 521 ? 0.5108 0.3197 0.6178 0.0465 0.2765 -0.0797 544 GLY A N 3830 C CA . GLY A 521 ? 0.5300 0.3379 0.6311 0.0432 0.2904 -0.0851 544 GLY A CA 3831 C C . GLY A 521 ? 0.5532 0.3435 0.6177 0.0385 0.2959 -0.0902 544 GLY A C 3832 O O . GLY A 521 ? 0.5542 0.3343 0.5989 0.0381 0.2884 -0.0907 544 GLY A O 3833 N N . PRO A 522 ? 0.5738 0.3606 0.6280 0.0348 0.3087 -0.0946 545 PRO A N 3834 C CA . PRO A 522 ? 0.5996 0.3694 0.6169 0.0309 0.3140 -0.0995 545 PRO A CA 3835 C C . PRO A 522 ? 0.5988 0.3613 0.5883 0.0273 0.3104 -0.0935 545 PRO A C 3836 O O . PRO A 522 ? 0.5833 0.3525 0.5810 0.0259 0.3087 -0.0862 545 PRO A O 3837 C CB . PRO A 522 ? 0.6220 0.3919 0.6412 0.0283 0.3295 -0.1054 545 PRO A CB 3838 C CG . PRO A 522 ? 0.6063 0.3926 0.6545 0.0279 0.3325 -0.1013 545 PRO A CG 3839 C CD . PRO A 522 ? 0.5767 0.3757 0.6525 0.0338 0.3193 -0.0961 545 PRO A CD 3840 N N . VAL A 523 ? 0.6176 0.3659 0.5728 0.0264 0.3087 -0.0970 546 VAL A N 3841 C CA . VAL A 523 ? 0.6266 0.3653 0.5496 0.0240 0.3078 -0.0920 546 VAL A CA 3842 C C . VAL A 523 ? 0.6619 0.3966 0.5792 0.0193 0.3220 -0.0908 546 VAL A C 3843 O O . VAL A 523 ? 0.6646 0.3968 0.5824 0.0175 0.3329 -0.0976 546 VAL A O 3844 C CB . VAL A 523 ? 0.6479 0.3736 0.5337 0.0248 0.3031 -0.0972 546 VAL A CB 3845 C CG1 . VAL A 523 ? 0.6588 0.3746 0.5098 0.0247 0.3003 -0.0910 546 VAL A CG1 3846 C CG2 . VAL A 523 ? 0.6327 0.3626 0.5263 0.0278 0.2905 -0.1006 546 VAL A CG2 3847 N N . PRO A 524 ? 0.6400 0.3734 0.5524 0.0166 0.3233 -0.0829 547 PRO A N 3848 C CA . PRO A 524 ? 0.6615 0.3883 0.5658 0.0106 0.3378 -0.0825 547 PRO A CA 3849 C C . PRO A 524 ? 0.6990 0.4065 0.5621 0.0092 0.3442 -0.0860 547 PRO A C 3850 O O . PRO A 524 ? 0.7083 0.4057 0.5409 0.0127 0.3356 -0.0854 547 PRO A O 3851 C CB . PRO A 524 ? 0.6512 0.3761 0.5519 0.0082 0.3353 -0.0730 547 PRO A CB 3852 C CG . PRO A 524 ? 0.6168 0.3546 0.5377 0.0133 0.3204 -0.0690 547 PRO A CG 3853 C CD . PRO A 524 ? 0.6166 0.3537 0.5312 0.0185 0.3121 -0.0745 547 PRO A CD 3854 N N . SER A 525 ? 0.7217 0.4255 0.5843 0.0043 0.3590 -0.0903 548 SER A N 3855 C CA . SER A 525 ? 0.7623 0.4470 0.5854 0.0023 0.3668 -0.0931 548 SER A CA 3856 C C . SER A 525 ? 0.7822 0.4574 0.5968 -0.0051 0.3812 -0.0901 548 SER A C 3857 O O . SER A 525 ? 0.8148 0.5013 0.6590 -0.0097 0.3916 -0.0938 548 SER A O 3858 C CB . SER A 525 ? 0.7990 0.4860 0.6260 0.0034 0.3719 -0.1040 548 SER A CB 3859 O OG . SER A 525 ? 0.8127 0.4819 0.5991 0.0022 0.3776 -0.1070 548 SER A OG 3860 N N . PRO A 526 ? 0.8250 0.4792 0.5991 -0.0061 0.3816 -0.0836 549 PRO A N 3861 C CA . PRO A 526 ? 0.8188 0.4631 0.5603 0.0008 0.3673 -0.0792 549 PRO A CA 3862 C C . PRO A 526 ? 0.7766 0.4296 0.5324 0.0043 0.3543 -0.0718 549 PRO A C 3863 O O . PRO A 526 ? 0.7557 0.4182 0.5402 0.0006 0.3570 -0.0685 549 PRO A O 3864 C CB . PRO A 526 ? 0.8507 0.4695 0.5469 -0.0009 0.3735 -0.0739 549 PRO A CB 3865 C CG . PRO A 526 ? 0.8531 0.4692 0.5646 -0.0092 0.3865 -0.0707 549 PRO A CG 3866 C CD . PRO A 526 ? 0.8350 0.4729 0.5914 -0.0134 0.3949 -0.0798 549 PRO A CD 3867 N N . ASP A 527 ? 0.7790 0.4299 0.5148 0.0114 0.3398 -0.0702 550 ASP A N 3868 C CA . ASP A 527 ? 0.7443 0.4026 0.4892 0.0155 0.3265 -0.0636 550 ASP A CA 3869 C C . ASP A 527 ? 0.7621 0.4016 0.4745 0.0164 0.3259 -0.0536 550 ASP A C 3870 O O . ASP A 527 ? 0.7896 0.4138 0.4614 0.0214 0.3212 -0.0517 550 ASP A O 3871 C CB . ASP A 527 ? 0.7320 0.3982 0.4724 0.0223 0.3117 -0.0683 550 ASP A CB 3872 C CG . ASP A 527 ? 0.7709 0.4420 0.5111 0.0276 0.2971 -0.0617 550 ASP A CG 3873 O OD1 . ASP A 527 ? 0.7246 0.3965 0.4771 0.0260 0.2981 -0.0538 550 ASP A OD1 3874 O OD2 . ASP A 527 ? 0.7240 0.3988 0.4516 0.0331 0.2847 -0.0655 550 ASP A OD2 3875 N N . VAL A 528 ? 0.7501 0.3901 0.4798 0.0118 0.3307 -0.0476 551 VAL A N 3876 C CA . VAL A 528 ? 0.8281 0.4478 0.5294 0.0119 0.3315 -0.0381 551 VAL A CA 3877 C C . VAL A 528 ? 0.8339 0.4595 0.5402 0.0174 0.3176 -0.0312 551 VAL A C 3878 O O . VAL A 528 ? 0.8580 0.4717 0.5557 0.0160 0.3190 -0.0236 551 VAL A O 3879 C CB . VAL A 528 ? 0.7938 0.4061 0.5057 0.0017 0.3477 -0.0370 551 VAL A CB 3880 C CG1 . VAL A 528 ? 0.8457 0.4452 0.5401 -0.0030 0.3618 -0.0422 551 VAL A CG1 3881 C CG2 . VAL A 528 ? 0.7851 0.4226 0.5484 -0.0035 0.3499 -0.0406 551 VAL A CG2 3882 N N . SER A 529 ? 0.8637 0.5070 0.5846 0.0231 0.3048 -0.0344 552 SER A N 3883 C CA . SER A 529 ? 0.7492 0.3988 0.4738 0.0287 0.2914 -0.0287 552 SER A CA 3884 C C . SER A 529 ? 0.7574 0.3893 0.4370 0.0372 0.2821 -0.0225 552 SER A C 3885 O O . SER A 529 ? 0.7386 0.3694 0.4144 0.0416 0.2737 -0.0156 552 SER A O 3886 C CB . SER A 529 ? 0.6595 0.3318 0.4116 0.0321 0.2807 -0.0348 552 SER A CB 3887 O OG . SER A 529 ? 0.6737 0.3452 0.4057 0.0366 0.2748 -0.0419 552 SER A OG 3888 N N . GLY A 530 ? 0.8194 0.4382 0.4648 0.0405 0.2827 -0.0249 553 GLY A N 3889 C CA . GLY A 530 ? 0.8610 0.4687 0.4661 0.0510 0.2702 -0.0208 553 GLY A CA 3890 C C . GLY A 530 ? 0.7545 0.3810 0.3631 0.0588 0.2529 -0.0256 553 GLY A C 3891 O O . GLY A 530 ? 0.7696 0.3914 0.3477 0.0686 0.2403 -0.0229 553 GLY A O 3892 N N . CYS A 531 ? 0.7419 0.3896 0.3872 0.0549 0.2516 -0.0332 554 CYS A N 3893 C CA . CYS A 531 ? 0.7297 0.3946 0.3804 0.0605 0.2363 -0.0394 554 CYS A CA 3894 C C . CYS A 531 ? 0.7277 0.3938 0.3573 0.0627 0.2326 -0.0495 554 CYS A C 3895 O O . CYS A 531 ? 0.8040 0.4618 0.4264 0.0583 0.2435 -0.0531 554 CYS A O 3896 C CB . CYS A 531 ? 0.6914 0.3754 0.3890 0.0554 0.2368 -0.0436 554 CYS A CB 3897 S SG . CYS A 531 ? 0.7060 0.3941 0.4305 0.0536 0.2378 -0.0335 554 CYS A SG 3898 N N . LYS A 532 ? 0.7369 0.4147 0.3571 0.0690 0.2171 -0.0550 555 LYS A N 3899 C CA . LYS A 532 ? 0.8430 0.5247 0.4433 0.0706 0.2122 -0.0662 555 LYS A CA 3900 C C . LYS A 532 ? 0.7916 0.4934 0.4063 0.0713 0.1994 -0.0768 555 LYS A C 3901 O O . LYS A 532 ? 0.7926 0.5036 0.4107 0.0763 0.1878 -0.0740 555 LYS A O 3902 C CB . LYS A 532 ? 0.9888 0.6592 0.5429 0.0795 0.2050 -0.0620 555 LYS A CB 3903 C CG . LYS A 532 ? 1.0497 0.6964 0.5829 0.0779 0.2186 -0.0537 555 LYS A CG 3904 C CD . LYS A 532 ? 1.1303 0.7643 0.6190 0.0886 0.2096 -0.0472 555 LYS A CD 3905 C CE . LYS A 532 ? 1.1714 0.7781 0.6434 0.0878 0.2222 -0.0347 555 LYS A CE 3906 N NZ . LYS A 532 ? 1.1476 0.7523 0.6479 0.0829 0.2285 -0.0268 555 LYS A NZ 3907 N N . CYS A 533 ? 0.7955 0.5034 0.4176 0.0659 0.2019 -0.0897 556 CYS A N 3908 C CA . CYS A 533 ? 0.7543 0.4790 0.3850 0.0651 0.1904 -0.1019 556 CYS A CA 3909 C C . CYS A 533 ? 0.8079 0.5332 0.4246 0.0616 0.1922 -0.1155 556 CYS A C 3910 O O . CYS A 533 ? 0.7787 0.5038 0.4178 0.0540 0.2010 -0.1230 556 CYS A O 3911 C CB . CYS A 533 ? 0.7748 0.5076 0.4482 0.0590 0.1929 -0.1035 556 CYS A CB 3912 S SG . CYS A 533 ? 0.8344 0.5848 0.5161 0.0561 0.1795 -0.1188 556 CYS A SG 3913 N N . SER A 534 ? 0.8352 0.5620 0.4150 0.0678 0.1829 -0.1185 557 SER A N 3914 C CA . SER A 534 ? 0.9433 0.6697 0.5050 0.0651 0.1852 -0.1304 557 SER A CA 3915 C C . SER A 534 ? 0.9161 0.6579 0.4917 0.0589 0.1790 -0.1477 557 SER A C 3916 O O . SER A 534 ? 0.8765 0.6174 0.4454 0.0544 0.1835 -0.1589 557 SER A O 3917 C CB . SER A 534 ? 0.9773 0.7021 0.4957 0.0742 0.1760 -0.1280 557 SER A CB 3918 O OG . SER A 534 ? 1.0005 0.7423 0.5096 0.0813 0.1572 -0.1296 557 SER A OG 3919 N N . SER A 535 ? 0.8323 0.5874 0.4268 0.0579 0.1695 -0.1505 558 SER A N 3920 C CA . SER A 535 ? 0.8174 0.5858 0.4246 0.0501 0.1641 -0.1675 558 SER A CA 3921 C C . SER A 535 ? 0.7772 0.5374 0.4167 0.0400 0.1776 -0.1722 558 SER A C 3922 O O . SER A 535 ? 0.7469 0.5126 0.3924 0.0325 0.1762 -0.1869 558 SER A O 3923 C CB . SER A 535 ? 0.7277 0.5117 0.3459 0.0506 0.1509 -0.1692 558 SER A CB 3924 O OG . SER A 535 ? 0.8459 0.6249 0.4948 0.0495 0.1564 -0.1572 558 SER A OG 3925 N N . ILE A 536 ? 0.7256 0.4738 0.3866 0.0397 0.1899 -0.1603 559 ILE A N 3926 C CA . ILE A 536 ? 0.7802 0.5224 0.4749 0.0322 0.2010 -0.1629 559 ILE A CA 3927 C C . ILE A 536 ? 0.7419 0.4758 0.4256 0.0293 0.2103 -0.1711 559 ILE A C 3928 O O . ILE A 536 ? 0.7735 0.4993 0.4371 0.0330 0.2167 -0.1660 559 ILE A O 3929 C CB . ILE A 536 ? 0.7132 0.4491 0.4340 0.0339 0.2099 -0.1478 559 ILE A CB 3930 C CG1 . ILE A 536 ? 0.6592 0.4037 0.3991 0.0350 0.2017 -0.1417 559 ILE A CG1 3931 C CG2 . ILE A 536 ? 0.6878 0.4164 0.4367 0.0289 0.2232 -0.1492 559 ILE A CG2 3932 C CD1 . ILE A 536 ? 0.6386 0.3794 0.3982 0.0379 0.2079 -0.1264 559 ILE A CD1 3933 N N . THR A 537 ? 0.7462 0.4807 0.4425 0.0221 0.2116 -0.1838 560 THR A N 3934 C CA . THR A 537 ? 0.7918 0.5181 0.4778 0.0193 0.2204 -0.1927 560 THR A CA 3935 C C . THR A 537 ? 0.8007 0.5158 0.5149 0.0168 0.2354 -0.1888 560 THR A C 3936 O O . THR A 537 ? 0.8410 0.5476 0.5453 0.0174 0.2458 -0.1895 560 THR A O 3937 C CB . THR A 537 ? 0.8835 0.6164 0.5614 0.0129 0.2130 -0.2103 560 THR A CB 3938 O OG1 . THR A 537 ? 0.9729 0.7121 0.6758 0.0073 0.2070 -0.2130 560 THR A OG1 3939 C CG2 . THR A 537 ? 0.9660 0.7104 0.6063 0.0171 0.2004 -0.2164 560 THR A CG2 3940 N N . ASP A 538 ? 0.7435 0.4587 0.4921 0.0143 0.2367 -0.1851 561 ASP A N 3941 C CA . ASP A 538 ? 0.7375 0.4449 0.5138 0.0142 0.2494 -0.1801 561 ASP A CA 3942 C C . ASP A 538 ? 0.7057 0.4177 0.5060 0.0180 0.2487 -0.1653 561 ASP A C 3943 O O . ASP A 538 ? 0.6833 0.3994 0.5052 0.0168 0.2428 -0.1629 561 ASP A O 3944 C CB . ASP A 538 ? 0.7426 0.4443 0.5376 0.0087 0.2525 -0.1897 561 ASP A CB 3945 C CG . ASP A 538 ? 0.7414 0.4357 0.5624 0.0105 0.2655 -0.1850 561 ASP A CG 3946 O OD1 . ASP A 538 ? 0.7231 0.4211 0.5594 0.0151 0.2687 -0.1729 561 ASP A OD1 3947 O OD2 . ASP A 538 ? 0.7595 0.4451 0.5859 0.0078 0.2723 -0.1937 561 ASP A OD2 3948 N N . LEU A 539 ? 0.7057 0.4164 0.5024 0.0218 0.2554 -0.1556 562 LEU A N 3949 C CA . LEU A 539 ? 0.6778 0.3939 0.4944 0.0250 0.2545 -0.1420 562 LEU A CA 3950 C C . LEU A 539 ? 0.6585 0.3767 0.5148 0.0248 0.2592 -0.1383 562 LEU A C 3951 O O . LEU A 539 ? 0.6318 0.3567 0.5093 0.0262 0.2533 -0.1307 562 LEU A O 3952 C CB . LEU A 539 ? 0.6869 0.3997 0.4882 0.0275 0.2616 -0.1337 562 LEU A CB 3953 C CG . LEU A 539 ? 0.6612 0.3792 0.4803 0.0298 0.2612 -0.1201 562 LEU A CG 3954 C CD1 . LEU A 539 ? 0.6399 0.3648 0.4584 0.0321 0.2475 -0.1159 562 LEU A CD1 3955 C CD2 . LEU A 539 ? 0.6769 0.3883 0.4764 0.0305 0.2695 -0.1134 562 LEU A CD2 3956 N N . GLU A 540 ? 0.6730 0.3859 0.5392 0.0238 0.2695 -0.1434 563 GLU A N 3957 C CA . GLU A 540 ? 0.6573 0.3730 0.5599 0.0255 0.2730 -0.1394 563 GLU A CA 3958 C C . GLU A 540 ? 0.6455 0.3607 0.5614 0.0241 0.2640 -0.1418 563 GLU A C 3959 O O . GLU A 540 ? 0.6236 0.3439 0.5664 0.0266 0.2609 -0.1341 563 GLU A O 3960 C CB . GLU A 540 ? 0.6777 0.3879 0.5876 0.0259 0.2857 -0.1452 563 GLU A CB 3961 C CG . GLU A 540 ? 0.6893 0.4004 0.5935 0.0266 0.2973 -0.1426 563 GLU A CG 3962 C CD . GLU A 540 ? 0.6665 0.3881 0.5901 0.0287 0.2988 -0.1306 563 GLU A CD 3963 O OE1 . GLU A 540 ? 0.6691 0.3899 0.5722 0.0274 0.2990 -0.1260 563 GLU A OE1 3964 O OE2 . GLU A 540 ? 0.6500 0.3802 0.6066 0.0318 0.3006 -0.1261 563 GLU A OE2 3965 N N . ALA A 541 ? 0.6610 0.3706 0.5573 0.0196 0.2595 -0.1525 564 ALA A N 3966 C CA . ALA A 541 ? 0.6528 0.3608 0.5594 0.0161 0.2518 -0.1557 564 ALA A CA 3967 C C . ALA A 541 ? 0.6265 0.3437 0.5371 0.0167 0.2409 -0.1481 564 ALA A C 3968 O O . ALA A 541 ? 0.6089 0.3272 0.5417 0.0168 0.2366 -0.1428 564 ALA A O 3969 C CB . ALA A 541 ? 0.6780 0.3794 0.5620 0.0095 0.2501 -0.1708 564 ALA A CB 3970 N N . VAL A 542 ? 0.6254 0.3486 0.5137 0.0178 0.2363 -0.1468 565 VAL A N 3971 C CA . VAL A 542 ? 0.6022 0.3342 0.4926 0.0191 0.2262 -0.1401 565 VAL A CA 3972 C C . VAL A 542 ? 0.5765 0.3135 0.4949 0.0237 0.2274 -0.1259 565 VAL A C 3973 O O . VAL A 542 ? 0.5553 0.2971 0.4904 0.0238 0.2203 -0.1205 565 VAL A O 3974 C CB . VAL A 542 ? 0.6550 0.3912 0.5128 0.0212 0.2215 -0.1411 565 VAL A CB 3975 C CG1 . VAL A 542 ? 0.5869 0.3316 0.4477 0.0246 0.2130 -0.1315 565 VAL A CG1 3976 C CG2 . VAL A 542 ? 0.6333 0.3694 0.4657 0.0163 0.2163 -0.1562 565 VAL A CG2 3977 N N . ASN A 543 ? 0.5793 0.3161 0.5043 0.0269 0.2365 -0.1205 566 ASN A N 3978 C CA . ASN A 543 ? 0.5565 0.3010 0.5087 0.0307 0.2375 -0.1085 566 ASN A CA 3979 C C . ASN A 543 ? 0.5477 0.2924 0.5303 0.0319 0.2375 -0.1066 566 ASN A C 3980 O O . ASN A 543 ? 0.5256 0.2789 0.5310 0.0350 0.2336 -0.0969 566 ASN A O 3981 C CB . ASN A 543 ? 0.5642 0.3097 0.5140 0.0324 0.2478 -0.1048 566 ASN A CB 3982 C CG . ASN A 543 ? 0.5661 0.3119 0.4908 0.0328 0.2464 -0.1005 566 ASN A CG 3983 O OD1 . ASN A 543 ? 0.5525 0.3019 0.4710 0.0338 0.2368 -0.0967 566 ASN A OD1 3984 N ND2 . ASN A 543 ? 0.5850 0.3258 0.4941 0.0323 0.2562 -0.1008 566 ASN A ND2 3985 N N . GLN A 544 ? 0.5661 0.3013 0.5482 0.0299 0.2412 -0.1154 567 GLN A N 3986 C CA . GLN A 544 ? 0.5611 0.2938 0.5681 0.0318 0.2400 -0.1129 567 GLN A CA 3987 C C . GLN A 544 ? 0.5453 0.2785 0.5580 0.0295 0.2293 -0.1095 567 GLN A C 3988 O O . GLN A 544 ? 0.5357 0.2693 0.5699 0.0326 0.2265 -0.1028 567 GLN A O 3989 C CB . GLN A 544 ? 0.5881 0.3077 0.5910 0.0300 0.2472 -0.1232 567 GLN A CB 3990 C CG . GLN A 544 ? 0.6042 0.3231 0.6083 0.0333 0.2590 -0.1260 567 GLN A CG 3991 C CD . GLN A 544 ? 0.5922 0.3199 0.6255 0.0407 0.2620 -0.1174 567 GLN A CD 3992 O OE1 . GLN A 544 ? 0.5744 0.3071 0.6273 0.0442 0.2552 -0.1093 567 GLN A OE1 3993 N NE2 . GLN A 544 ? 0.6039 0.3342 0.6396 0.0430 0.2724 -0.1198 567 GLN A NE2 3994 N N . ARG A 545 ? 0.5440 0.2777 0.5375 0.0246 0.2230 -0.1141 568 ARG A N 3995 C CA . ARG A 545 ? 0.6183 0.3548 0.6189 0.0222 0.2132 -0.1102 568 ARG A CA 3996 C C . ARG A 545 ? 0.5159 0.2640 0.5362 0.0279 0.2083 -0.0959 568 ARG A C 3997 O O . ARG A 545 ? 0.4858 0.2355 0.5181 0.0271 0.2011 -0.0905 568 ARG A O 3998 C CB . ARG A 545 ? 0.5301 0.2688 0.5064 0.0168 0.2073 -0.1187 568 ARG A CB 3999 C CG . ARG A 545 ? 0.5572 0.2875 0.5136 0.0099 0.2102 -0.1343 568 ARG A CG 4000 C CD . ARG A 545 ? 0.5583 0.2957 0.4934 0.0047 0.2021 -0.1431 568 ARG A CD 4001 N NE . ARG A 545 ? 0.6203 0.3640 0.5684 0.0035 0.1940 -0.1373 568 ARG A NE 4002 C CZ . ARG A 545 ? 0.5354 0.2755 0.4931 -0.0042 0.1907 -0.1412 568 ARG A CZ 4003 N NH1 . ARG A 545 ? 0.5571 0.2864 0.5119 -0.0115 0.1951 -0.1515 568 ARG A NH1 4004 N NH2 . ARG A 545 ? 0.5153 0.2672 0.4856 -0.0056 0.1802 -0.1316 568 ARG A NH2 4005 N N . LEU A 546 ? 0.4934 0.2494 0.5168 0.0325 0.2124 -0.0901 569 LEU A N 4006 C CA . LEU A 546 ? 0.4696 0.2378 0.5119 0.0370 0.2085 -0.0778 569 LEU A CA 4007 C C . LEU A 546 ? 0.4657 0.2378 0.5349 0.0419 0.2110 -0.0720 569 LEU A C 4008 O O . LEU A 546 ? 0.4483 0.2326 0.5344 0.0456 0.2087 -0.0631 569 LEU A O 4009 C CB . LEU A 546 ? 0.4676 0.2420 0.4990 0.0383 0.2126 -0.0752 569 LEU A CB 4010 C CG . LEU A 546 ? 0.5022 0.2738 0.5045 0.0360 0.2095 -0.0792 569 LEU A CG 4011 C CD1 . LEU A 546 ? 0.4789 0.2518 0.4666 0.0375 0.2159 -0.0764 569 LEU A CD1 4012 C CD2 . LEU A 546 ? 0.4524 0.2298 0.4594 0.0360 0.1982 -0.0740 569 LEU A CD2 4013 N N . ASN A 547 ? 0.4835 0.2456 0.5559 0.0424 0.2157 -0.0776 570 ASN A N 4014 C CA . ASN A 547 ? 0.4858 0.2504 0.5807 0.0489 0.2188 -0.0738 570 ASN A CA 4015 C C . ASN A 547 ? 0.4963 0.2478 0.5940 0.0487 0.2155 -0.0750 570 ASN A C 4016 O O . ASN A 547 ? 0.5194 0.2580 0.6120 0.0484 0.2221 -0.0827 570 ASN A O 4017 C CB . ASN A 547 ? 0.5043 0.2671 0.5969 0.0505 0.2307 -0.0806 570 ASN A CB 4018 C CG . ASN A 547 ? 0.5076 0.2756 0.6244 0.0584 0.2344 -0.0779 570 ASN A CG 4019 O OD1 . ASN A 547 ? 0.5634 0.3405 0.7000 0.0638 0.2279 -0.0696 570 ASN A OD1 4020 N ND2 . ASN A 547 ? 0.5283 0.2912 0.6426 0.0596 0.2448 -0.0855 570 ASN A ND2 4021 N N . LEU A 548 ? 0.4813 0.2351 0.5857 0.0485 0.2059 -0.0675 571 LEU A N 4022 C CA . LEU A 548 ? 0.5020 0.2412 0.6044 0.0461 0.2029 -0.0685 571 LEU A CA 4023 C C . LEU A 548 ? 0.5172 0.2507 0.6349 0.0544 0.2045 -0.0644 571 LEU A C 4024 O O . LEU A 548 ? 0.4950 0.2409 0.6302 0.0628 0.2033 -0.0576 571 LEU A O 4025 C CB . LEU A 548 ? 0.4748 0.2176 0.5778 0.0425 0.1925 -0.0617 571 LEU A CB 4026 C CG . LEU A 548 ? 0.5066 0.2543 0.5945 0.0352 0.1890 -0.0656 571 LEU A CG 4027 C CD1 . LEU A 548 ? 0.4445 0.1981 0.5380 0.0334 0.1788 -0.0572 571 LEU A CD1 4028 C CD2 . LEU A 548 ? 0.6114 0.3456 0.6790 0.0267 0.1935 -0.0795 571 LEU A CD2 4029 N N . ILE A 549 ? 0.5277 0.2418 0.6380 0.0520 0.2073 -0.0694 572 ILE A N 4030 C CA . ILE A 549 ? 0.5565 0.2604 0.6773 0.0601 0.2073 -0.0648 572 ILE A CA 4031 C C . ILE A 549 ? 0.5855 0.2946 0.7160 0.0637 0.1966 -0.0524 572 ILE A C 4032 O O . ILE A 549 ? 0.5094 0.2247 0.6354 0.0571 0.1900 -0.0491 572 ILE A O 4033 C CB . ILE A 549 ? 0.6154 0.2947 0.7217 0.0544 0.2132 -0.0737 572 ILE A CB 4034 C CG1 . ILE A 549 ? 0.5982 0.2742 0.6960 0.0523 0.2236 -0.0857 572 ILE A CG1 4035 C CG2 . ILE A 549 ? 0.7654 0.4294 0.8783 0.0627 0.2135 -0.0691 572 ILE A CG2 4036 C CD1 . ILE A 549 ? 0.7066 0.3667 0.7841 0.0403 0.2278 -0.0976 572 ILE A CD1 4037 N N . ASP A 550 ? 0.5361 0.2428 0.6792 0.0748 0.1947 -0.0458 573 ASP A N 4038 C CA . ASP A 550 ? 0.5555 0.2690 0.7079 0.0799 0.1841 -0.0337 573 ASP A CA 4039 C C . ASP A 550 ? 0.5932 0.2936 0.7325 0.0709 0.1792 -0.0311 573 ASP A C 4040 O O . ASP A 550 ? 0.5049 0.2157 0.6470 0.0692 0.1705 -0.0232 573 ASP A O 4041 C CB . ASP A 550 ? 0.5920 0.3008 0.7561 0.0940 0.1829 -0.0286 573 ASP A CB 4042 C CG . ASP A 550 ? 0.6658 0.3886 0.8447 0.1030 0.1885 -0.0324 573 ASP A CG 4043 O OD1 . ASP A 550 ? 0.6823 0.4193 0.8627 0.0979 0.1929 -0.0374 573 ASP A OD1 4044 O OD2 . ASP A 550 ? 0.7336 0.4526 0.9220 0.1155 0.1885 -0.0306 573 ASP A OD2 4045 N N . GLN A 551 ? 0.5500 0.2278 0.6748 0.0641 0.1851 -0.0383 574 GLN A N 4046 C CA . GLN A 551 ? 0.5664 0.2316 0.6795 0.0544 0.1814 -0.0366 574 GLN A CA 4047 C C . GLN A 551 ? 0.6087 0.2853 0.7147 0.0421 0.1796 -0.0417 574 GLN A C 4048 O O . GLN A 551 ? 0.5564 0.2338 0.6587 0.0356 0.1735 -0.0374 574 GLN A O 4049 C CB . GLN A 551 ? 0.6770 0.3139 0.7773 0.0502 0.1889 -0.0432 574 GLN A CB 4050 C CG . GLN A 551 ? 0.7484 0.3740 0.8332 0.0341 0.1904 -0.0498 574 GLN A CG 4051 C CD . GLN A 551 ? 0.8966 0.4941 0.9691 0.0292 0.1992 -0.0574 574 GLN A CD 4052 O OE1 . GLN A 551 ? 0.8861 0.4651 0.9572 0.0355 0.1994 -0.0510 574 GLN A OE1 4053 N NE2 . GLN A 551 ? 0.9117 0.5054 0.9741 0.0185 0.2064 -0.0715 574 GLN A NE2 4054 N N . ALA A 552 ? 0.5772 0.2627 0.6805 0.0393 0.1845 -0.0506 575 ALA A N 4055 C CA . ALA A 552 ? 0.5211 0.2189 0.6175 0.0305 0.1817 -0.0550 575 ALA A CA 4056 C C . ALA A 552 ? 0.5025 0.2209 0.6104 0.0353 0.1731 -0.0442 575 ALA A C 4057 O O . ALA A 552 ? 0.4627 0.1874 0.5667 0.0288 0.1673 -0.0429 575 ALA A O 4058 C CB . ALA A 552 ? 0.5126 0.2135 0.6008 0.0281 0.1890 -0.0666 575 ALA A CB 4059 N N . LYS A 553 ? 0.4794 0.2093 0.6019 0.0462 0.1722 -0.0373 576 LYS A N 4060 C CA . LYS A 553 ? 0.4459 0.1953 0.5802 0.0504 0.1639 -0.0270 576 LYS A CA 4061 C C . LYS A 553 ? 0.4806 0.2266 0.6156 0.0492 0.1552 -0.0181 576 LYS A C 4062 O O . LYS A 553 ? 0.4448 0.2022 0.5804 0.0456 0.1483 -0.0134 576 LYS A O 4063 C CB . LYS A 553 ? 0.4609 0.2222 0.6119 0.0617 0.1648 -0.0225 576 LYS A CB 4064 C CG . LYS A 553 ? 0.4855 0.2552 0.6371 0.0621 0.1728 -0.0296 576 LYS A CG 4065 C CD . LYS A 553 ? 0.4924 0.2749 0.6628 0.0723 0.1748 -0.0263 576 LYS A CD 4066 C CE . LYS A 553 ? 0.4843 0.2753 0.6537 0.0708 0.1836 -0.0332 576 LYS A CE 4067 N NZ . LYS A 553 ? 0.5051 0.3049 0.6918 0.0795 0.1887 -0.0338 576 LYS A NZ 4068 N N . MET A 554 ? 0.5316 0.2612 0.6656 0.0525 0.1558 -0.0154 577 MET A N 4069 C CA . MET A 554 ? 0.5277 0.2522 0.6605 0.0521 0.1481 -0.0061 577 MET A CA 4070 C C . MET A 554 ? 0.4672 0.1844 0.5867 0.0384 0.1474 -0.0099 577 MET A C 4071 O O . MET A 554 ? 0.4469 0.1706 0.5666 0.0353 0.1400 -0.0029 577 MET A O 4072 C CB . MET A 554 ? 0.4890 0.1944 0.6210 0.0597 0.1497 -0.0026 577 MET A CB 4073 C CG . MET A 554 ? 0.5617 0.2771 0.7091 0.0745 0.1482 0.0020 577 MET A CG 4074 S SD . MET A 554 ? 0.8120 0.5014 0.9561 0.0844 0.1532 0.0016 577 MET A SD 4075 C CE . MET A 554 ? 0.7434 0.4155 0.8764 0.0832 0.1457 0.0120 577 MET A CE 4076 N N . GLN A 555 ? 0.5401 0.2453 0.6483 0.0295 0.1551 -0.0219 578 GLN A N 4077 C CA . GLN A 555 ? 0.5147 0.2167 0.6117 0.0153 0.1551 -0.0288 578 GLN A CA 4078 C C . GLN A 555 ? 0.4451 0.1681 0.5452 0.0129 0.1495 -0.0285 578 GLN A C 4079 O O . GLN A 555 ? 0.4465 0.1735 0.5441 0.0054 0.1445 -0.0266 578 GLN A O 4080 C CB . GLN A 555 ? 0.5635 0.2521 0.6487 0.0069 0.1644 -0.0438 578 GLN A CB 4081 C CG . GLN A 555 ? 0.6597 0.3467 0.7337 -0.0092 0.1646 -0.0538 578 GLN A CG 4082 C CD . GLN A 555 ? 0.7374 0.4135 0.8078 -0.0166 0.1624 -0.0487 578 GLN A CD 4083 O OE1 . GLN A 555 ? 0.8177 0.4749 0.8848 -0.0145 0.1659 -0.0453 578 GLN A OE1 4084 N NE2 . GLN A 555 ? 0.7190 0.4059 0.7887 -0.0255 0.1570 -0.0483 578 GLN A NE2 4085 N N . SER A 556 ? 0.4403 0.1755 0.5446 0.0188 0.1512 -0.0309 579 SER A N 4086 C CA . SER A 556 ? 0.4508 0.2037 0.5566 0.0180 0.1462 -0.0297 579 SER A CA 4087 C C . SER A 556 ? 0.3957 0.1610 0.5124 0.0226 0.1369 -0.0160 579 SER A C 4088 O O . SER A 556 ? 0.3822 0.1555 0.4975 0.0176 0.1313 -0.0140 579 SER A O 4089 C CB . SER A 556 ? 0.4098 0.1720 0.5162 0.0239 0.1504 -0.0337 579 SER A CB 4090 O OG . SER A 556 ? 0.3982 0.1738 0.5022 0.0229 0.1460 -0.0330 579 SER A OG 4091 N N . GLU A 557 ? 0.3891 0.1572 0.5169 0.0321 0.1350 -0.0072 580 GLU A N 4092 C CA . GLU A 557 ? 0.3731 0.1531 0.5099 0.0363 0.1258 0.0049 580 GLU A CA 4093 C C . GLU A 557 ? 0.4100 0.1811 0.5391 0.0284 0.1214 0.0083 580 GLU A C 4094 O O . GLU A 557 ? 0.4719 0.2542 0.6023 0.0253 0.1147 0.0133 580 GLU A O 4095 C CB . GLU A 557 ? 0.3786 0.1609 0.5273 0.0479 0.1248 0.0115 580 GLU A CB 4096 C CG . GLU A 557 ? 0.4322 0.2343 0.5937 0.0544 0.1255 0.0119 580 GLU A CG 4097 C CD . GLU A 557 ? 0.5498 0.3535 0.7235 0.0648 0.1292 0.0123 580 GLU A CD 4098 O OE1 . GLU A 557 ? 0.5638 0.3824 0.7477 0.0682 0.1322 0.0105 580 GLU A OE1 4099 O OE2 . GLU A 557 ? 0.6042 0.3937 0.7766 0.0691 0.1293 0.0143 580 GLU A OE2 4100 N N . ALA A 558 ? 0.4184 0.1689 0.5385 0.0238 0.1260 0.0047 581 ALA A N 4101 C CA . ALA A 558 ? 0.4450 0.1862 0.5567 0.0147 0.1234 0.0074 581 ALA A CA 4102 C C . ALA A 558 ? 0.4585 0.2070 0.5652 0.0023 0.1228 0.0004 581 ALA A C 4103 O O . ALA A 558 ? 0.4867 0.2409 0.5926 -0.0032 0.1174 0.0056 581 ALA A O 4104 C CB . ALA A 558 ? 0.4961 0.2121 0.5977 0.0111 0.1300 0.0036 581 ALA A CB 4105 N N . ASP A 559 ? 0.4269 0.1760 0.5297 -0.0023 0.1282 -0.0119 582 ASP A N 4106 C CA . ASP A 559 ? 0.4665 0.2265 0.5623 -0.0143 0.1258 -0.0204 582 ASP A CA 4107 C C . ASP A 559 ? 0.4401 0.2290 0.5394 -0.0098 0.1161 -0.0157 582 ASP A C 4108 O O . ASP A 559 ? 0.3754 0.1807 0.4712 -0.0167 0.1091 -0.0161 582 ASP A O 4109 C CB . ASP A 559 ? 0.4992 0.2564 0.5847 -0.0214 0.1317 -0.0365 582 ASP A CB 4110 C CG . ASP A 559 ? 0.6431 0.3713 0.7231 -0.0289 0.1418 -0.0434 582 ASP A CG 4111 O OD1 . ASP A 559 ? 0.6777 0.3969 0.7573 -0.0305 0.1406 -0.0350 582 ASP A OD1 4112 O OD2 . ASP A 559 ? 0.7000 0.4209 0.7727 -0.0324 0.1484 -0.0561 582 ASP A OD2 4113 N N . ASN A 560 ? 0.3889 0.1837 0.4949 0.0014 0.1164 -0.0118 583 ASN A N 4114 C CA . ASN A 560 ? 0.3808 0.1989 0.4874 0.0052 0.1093 -0.0088 583 ASN A CA 4115 C C . ASN A 560 ? 0.3896 0.2158 0.5089 0.0131 0.1040 0.0045 583 ASN A C 4116 O O . ASN A 560 ? 0.2930 0.1372 0.4117 0.0143 0.0976 0.0075 583 ASN A O 4117 C CB . ASN A 560 ? 0.3515 0.1715 0.4532 0.0100 0.1144 -0.0157 583 ASN A CB 4118 C CG . ASN A 560 ? 0.4210 0.2348 0.5086 0.0025 0.1189 -0.0298 583 ASN A CG 4119 O OD1 . ASN A 560 ? 0.5281 0.3277 0.6138 0.0045 0.1279 -0.0361 583 ASN A OD1 4120 N ND2 . ASN A 560 ? 0.3679 0.1936 0.4464 -0.0062 0.1129 -0.0357 583 ASN A ND2 4121 N N . LEU A 561 ? 0.3719 0.1852 0.5018 0.0191 0.1063 0.0121 584 LEU A N 4122 C CA . LEU A 561 ? 0.3581 0.1823 0.4992 0.0257 0.0994 0.0240 584 LEU A CA 4123 C C . LEU A 561 ? 0.3644 0.1800 0.5034 0.0236 0.0958 0.0307 584 LEU A C 4124 O O . LEU A 561 ? 0.3613 0.1756 0.5055 0.0312 0.0936 0.0371 584 LEU A O 4125 C CB . LEU A 561 ? 0.3255 0.1576 0.4772 0.0358 0.1009 0.0263 584 LEU A CB 4126 C CG . LEU A 561 ? 0.2896 0.1336 0.4436 0.0380 0.1035 0.0227 584 LEU A CG 4127 C CD1 . LEU A 561 ? 0.2924 0.1417 0.4568 0.0455 0.1084 0.0221 584 LEU A CD1 4128 C CD2 . LEU A 561 ? 0.2692 0.1285 0.4258 0.0373 0.0960 0.0289 584 LEU A CD2 4129 N N . PRO A 562 ? 0.3191 0.1284 0.4497 0.0132 0.0952 0.0290 585 PRO A N 4130 C CA . PRO A 562 ? 0.3721 0.1684 0.4966 0.0098 0.0942 0.0342 585 PRO A CA 4131 C C . PRO A 562 ? 0.3538 0.1596 0.4826 0.0158 0.0855 0.0464 585 PRO A C 4132 O O . PRO A 562 ? 0.4136 0.2071 0.5367 0.0171 0.0843 0.0522 585 PRO A O 4133 C CB . PRO A 562 ? 0.3393 0.1316 0.4547 -0.0052 0.0966 0.0273 585 PRO A CB 4134 C CG . PRO A 562 ? 0.3135 0.1343 0.4297 -0.0060 0.0898 0.0235 585 PRO A CG 4135 C CD . PRO A 562 ? 0.3087 0.1323 0.4304 0.0034 0.0925 0.0209 585 PRO A CD 4136 N N . TYR A 563 ? 0.3128 0.1389 0.4501 0.0195 0.0795 0.0501 586 TYR A N 4137 C CA . TYR A 563 ? 0.3424 0.1794 0.4843 0.0250 0.0711 0.0605 586 TYR A CA 4138 C C . TYR A 563 ? 0.3318 0.1793 0.4860 0.0367 0.0690 0.0631 586 TYR A C 4139 O O . TYR A 563 ? 0.3157 0.1768 0.4764 0.0412 0.0619 0.0699 586 TYR A O 4140 C CB . TYR A 563 ? 0.3116 0.1644 0.4542 0.0196 0.0655 0.0627 586 TYR A CB 4141 C CG . TYR A 563 ? 0.3309 0.1815 0.4630 0.0073 0.0682 0.0552 586 TYR A CG 4142 C CD1 . TYR A 563 ? 0.3207 0.1552 0.4437 -0.0010 0.0716 0.0552 586 TYR A CD1 4143 C CD2 . TYR A 563 ? 0.3572 0.2240 0.4865 0.0040 0.0673 0.0465 586 TYR A CD2 4144 C CE1 . TYR A 563 ? 0.3711 0.2092 0.4852 -0.0136 0.0738 0.0456 586 TYR A CE1 4145 C CE2 . TYR A 563 ? 0.4089 0.2799 0.5287 -0.0064 0.0681 0.0377 586 TYR A CE2 4146 C CZ . TYR A 563 ? 0.3905 0.2487 0.5040 -0.0157 0.0714 0.0365 586 TYR A CZ 4147 O OH . TYR A 563 ? 0.3873 0.2534 0.4937 -0.0269 0.0724 0.0260 586 TYR A OH 4148 N N . GLY A 564 ? 0.3729 0.2150 0.5309 0.0411 0.0756 0.0573 587 GLY A N 4149 C CA . GLY A 564 ? 0.2931 0.1466 0.4647 0.0508 0.0753 0.0583 587 GLY A CA 4150 C C . GLY A 564 ? 0.3446 0.2133 0.5231 0.0498 0.0776 0.0535 587 GLY A C 4151 O O . GLY A 564 ? 0.2617 0.1353 0.4349 0.0436 0.0765 0.0520 587 GLY A O 4152 N N . ARG A 565 ? 0.3245 0.1993 0.5140 0.0563 0.0817 0.0509 588 ARG A N 4153 C CA . ARG A 565 ? 0.3538 0.2412 0.5483 0.0552 0.0850 0.0469 588 ARG A CA 4154 C C . ARG A 565 ? 0.2648 0.1709 0.4686 0.0559 0.0777 0.0528 588 ARG A C 4155 O O . ARG A 565 ? 0.2862 0.1989 0.4982 0.0605 0.0714 0.0588 588 ARG A O 4156 C CB . ARG A 565 ? 0.3945 0.2823 0.5978 0.0604 0.0934 0.0414 588 ARG A CB 4157 C CG . ARG A 565 ? 0.3527 0.2565 0.5745 0.0674 0.0913 0.0445 588 ARG A CG 4158 C CD . ARG A 565 ? 0.2960 0.2019 0.5274 0.0714 0.1009 0.0378 588 ARG A CD 4159 N NE . ARG A 565 ? 0.2953 0.2131 0.5446 0.0801 0.0978 0.0405 588 ARG A NE 4160 C CZ . ARG A 565 ? 0.3931 0.3310 0.6572 0.0818 0.0929 0.0433 588 ARG A CZ 4161 N NH1 . ARG A 565 ? 0.3174 0.2639 0.5801 0.0750 0.0916 0.0442 588 ARG A NH1 4162 N NH2 . ARG A 565 ? 0.4105 0.3601 0.6906 0.0905 0.0894 0.0446 588 ARG A NH2 4163 N N . PRO A 566 ? 0.2746 0.1881 0.4756 0.0517 0.0784 0.0510 589 PRO A N 4164 C CA . PRO A 566 ? 0.3231 0.2534 0.5337 0.0521 0.0731 0.0554 589 PRO A CA 4165 C C . PRO A 566 ? 0.2929 0.2355 0.5227 0.0582 0.0744 0.0556 589 PRO A C 4166 O O . PRO A 566 ? 0.3185 0.2596 0.5540 0.0606 0.0827 0.0502 589 PRO A O 4167 C CB . PRO A 566 ? 0.2399 0.1706 0.4423 0.0479 0.0774 0.0514 589 PRO A CB 4168 C CG . PRO A 566 ? 0.2510 0.1672 0.4365 0.0444 0.0803 0.0470 589 PRO A CG 4169 C CD . PRO A 566 ? 0.2901 0.1953 0.4776 0.0470 0.0839 0.0449 589 PRO A CD 4170 N N . HIS A 567 ? 0.2732 0.2292 0.5132 0.0605 0.0661 0.0613 590 HIS A N 4171 C CA . HIS A 567 ? 0.2824 0.2551 0.5427 0.0656 0.0663 0.0604 590 HIS A CA 4172 C C . HIS A 567 ? 0.2997 0.2849 0.5673 0.0610 0.0702 0.0574 590 HIS A C 4173 O O . HIS A 567 ? 0.2569 0.2412 0.5155 0.0558 0.0678 0.0593 590 HIS A O 4174 C CB . HIS A 567 ? 0.2959 0.2788 0.5636 0.0708 0.0552 0.0669 590 HIS A CB 4175 C CG . HIS A 567 ? 0.3982 0.3684 0.6604 0.0776 0.0528 0.0698 590 HIS A CG 4176 N ND1 . HIS A 567 ? 0.3916 0.3634 0.6521 0.0827 0.0428 0.0767 590 HIS A ND1 4177 C CD2 . HIS A 567 ? 0.4763 0.4304 0.7331 0.0804 0.0595 0.0665 590 HIS A CD2 4178 C CE1 . HIS A 567 ? 0.5046 0.4602 0.7582 0.0887 0.0439 0.0780 590 HIS A CE1 4179 N NE2 . HIS A 567 ? 0.5423 0.4872 0.7943 0.0872 0.0539 0.0717 590 HIS A NE2 4180 N N . VAL A 568 ? 0.2405 0.2368 0.5240 0.0626 0.0770 0.0521 591 VAL A N 4181 C CA . VAL A 568 ? 0.3119 0.3176 0.6013 0.0571 0.0838 0.0480 591 VAL A CA 4182 C C . VAL A 568 ? 0.2843 0.3146 0.5937 0.0571 0.0777 0.0483 591 VAL A C 4183 O O . VAL A 568 ? 0.2850 0.3285 0.6106 0.0617 0.0773 0.0454 591 VAL A O 4184 C CB . VAL A 568 ? 0.2744 0.2746 0.5645 0.0558 0.0982 0.0402 591 VAL A CB 4185 C CG1 . VAL A 568 ? 0.2475 0.2541 0.5366 0.0475 0.1055 0.0362 591 VAL A CG1 4186 C CG2 . VAL A 568 ? 0.2910 0.2678 0.5592 0.0556 0.1028 0.0391 591 VAL A CG2 4187 N N . LEU A 569 ? 0.2263 0.2628 0.5310 0.0514 0.0718 0.0511 592 LEU A N 4188 C CA . LEU A 569 ? 0.2354 0.2960 0.5576 0.0496 0.0656 0.0505 592 LEU A CA 4189 C C . LEU A 569 ? 0.2511 0.3211 0.5797 0.0405 0.0756 0.0426 592 LEU A C 4190 O O . LEU A 569 ? 0.2523 0.3452 0.6013 0.0390 0.0742 0.0385 592 LEU A O 4191 C CB . LEU A 569 ? 0.2692 0.3299 0.5786 0.0463 0.0538 0.0566 592 LEU A CB 4192 C CG . LEU A 569 ? 0.3642 0.4134 0.6630 0.0525 0.0447 0.0648 592 LEU A CG 4193 C CD1 . LEU A 569 ? 0.3692 0.4267 0.6625 0.0500 0.0326 0.0701 592 LEU A CD1 4194 C CD2 . LEU A 569 ? 0.2837 0.3326 0.5909 0.0621 0.0428 0.0659 592 LEU A CD2 4195 N N . GLN A 570 ? 0.2604 0.3120 0.5691 0.0340 0.0855 0.0401 593 GLN A N 4196 C CA . GLN A 570 ? 0.2303 0.2838 0.5409 0.0256 0.0983 0.0328 593 GLN A CA 4197 C C . GLN A 570 ? 0.2506 0.3154 0.5840 0.0293 0.1080 0.0264 593 GLN A C 4198 O O . GLN A 570 ? 0.2570 0.3182 0.5941 0.0383 0.1062 0.0276 593 GLN A O 4199 C CB . GLN A 570 ? 0.2841 0.3108 0.5639 0.0210 0.1061 0.0331 593 GLN A CB 4200 C CG . GLN A 570 ? 0.4761 0.4972 0.7487 0.0112 0.1197 0.0273 593 GLN A CG 4201 C CD . GLN A 570 ? 0.5355 0.5302 0.7736 0.0083 0.1231 0.0297 593 GLN A CD 4202 O OE1 . GLN A 570 ? 0.6247 0.6075 0.8463 0.0136 0.1162 0.0342 593 GLN A OE1 4203 N NE2 . GLN A 570 ? 0.4821 0.4675 0.7088 -0.0001 0.1339 0.0263 593 GLN A NE2 4204 N N . HIS A 571 ? 0.2356 0.3109 0.5775 0.0208 0.1169 0.0187 594 HIS A N 4205 C CA . HIS A 571 ? 0.2684 0.3489 0.6207 0.0216 0.1262 0.0110 594 HIS A CA 4206 C C . HIS A 571 ? 0.2635 0.3187 0.5954 0.0188 0.1411 0.0095 594 HIS A C 4207 O O . HIS A 571 ? 0.2611 0.3051 0.5781 0.0090 0.1513 0.0071 594 HIS A O 4208 C CB . HIS A 571 ? 0.3777 0.4800 0.7456 0.0129 0.1292 0.0026 594 HIS A CB 4209 C CG . HIS A 571 ? 0.5563 0.6868 0.9451 0.0172 0.1144 0.0026 594 HIS A CG 4210 N ND1 . HIS A 571 ? 0.5901 0.7357 0.9834 0.0089 0.1092 0.0005 594 HIS A ND1 4211 C CD2 . HIS A 571 ? 0.6227 0.7680 1.0264 0.0294 0.1037 0.0046 594 HIS A CD2 4212 C CE1 . HIS A 571 ? 0.6483 0.8188 1.0593 0.0159 0.0955 0.0009 594 HIS A CE1 4213 N NE2 . HIS A 571 ? 0.6504 0.8204 1.0672 0.0289 0.0919 0.0038 594 HIS A NE2 4214 N N . SER A 572 ? 0.2114 0.2554 0.5392 0.0273 0.1423 0.0109 595 SER A N 4215 C CA . SER A 572 ? 0.3023 0.3220 0.6078 0.0257 0.1549 0.0096 595 SER A CA 4216 C C . SER A 572 ? 0.3282 0.3456 0.6394 0.0320 0.1596 0.0054 595 SER A C 4217 O O . SER A 572 ? 0.3037 0.3292 0.6278 0.0407 0.1501 0.0074 595 SER A O 4218 C CB . SER A 572 ? 0.3619 0.3621 0.6427 0.0282 0.1478 0.0168 595 SER A CB 4219 O OG . SER A 572 ? 0.5217 0.4988 0.7780 0.0284 0.1565 0.0153 595 SER A OG 4220 N N . LYS A 573 ? 0.2424 0.2479 0.5422 0.0275 0.1742 -0.0003 596 LYS A N 4221 C CA . LYS A 573 ? 0.2545 0.2534 0.5543 0.0330 0.1797 -0.0042 596 LYS A CA 4222 C C . LYS A 573 ? 0.2600 0.2337 0.5336 0.0359 0.1810 -0.0011 596 LYS A C 4223 O O . LYS A 573 ? 0.3850 0.3423 0.6349 0.0309 0.1884 -0.0008 596 LYS A O 4224 C CB . LYS A 573 ? 0.2744 0.2740 0.5749 0.0264 0.1947 -0.0127 596 LYS A CB 4225 C CG . LYS A 573 ? 0.3707 0.3962 0.6962 0.0224 0.1945 -0.0180 596 LYS A CG 4226 C CD . LYS A 573 ? 0.4024 0.4233 0.7218 0.0134 0.2109 -0.0261 596 LYS A CD 4227 C CE . LYS A 573 ? 0.4738 0.5233 0.8215 0.0114 0.2117 -0.0338 596 LYS A CE 4228 N NZ . LYS A 573 ? 0.5979 0.6412 0.9383 0.0018 0.2287 -0.0420 596 LYS A NZ 4229 N N . TYR A 574 ? 0.2835 0.2535 0.5592 0.0440 0.1739 0.0007 597 TYR A N 4230 C CA . TYR A 574 ? 0.2688 0.2169 0.5201 0.0459 0.1735 0.0023 597 TYR A CA 4231 C C . TYR A 574 ? 0.2778 0.2220 0.5337 0.0524 0.1718 0.0002 597 TYR A C 4232 O O . TYR A 574 ? 0.2770 0.2351 0.5545 0.0576 0.1681 -0.0003 597 TYR A O 4233 C CB . TYR A 574 ? 0.2611 0.2054 0.5034 0.0468 0.1615 0.0095 597 TYR A CB 4234 C CG . TYR A 574 ? 0.2457 0.2007 0.5044 0.0524 0.1477 0.0147 597 TYR A CG 4235 C CD1 . TYR A 574 ? 0.2340 0.2096 0.5140 0.0529 0.1410 0.0174 597 TYR A CD1 4236 C CD2 . TYR A 574 ? 0.2511 0.1951 0.5025 0.0568 0.1418 0.0164 597 TYR A CD2 4237 C CE1 . TYR A 574 ? 0.3281 0.3121 0.6196 0.0590 0.1283 0.0225 597 TYR A CE1 4238 C CE2 . TYR A 574 ? 0.3203 0.2709 0.5829 0.0619 0.1303 0.0216 597 TYR A CE2 4239 C CZ . TYR A 574 ? 0.3736 0.3437 0.6552 0.0636 0.1233 0.0251 597 TYR A CZ 4240 O OH . TYR A 574 ? 0.3177 0.2927 0.6068 0.0696 0.1117 0.0308 597 TYR A OH 4241 N N . CYS A 575 ? 0.3197 0.2448 0.5539 0.0526 0.1741 -0.0014 598 CYS A N 4242 C CA . CYS A 575 ? 0.3647 0.2827 0.5997 0.0578 0.1726 -0.0034 598 CYS A CA 4243 C C . CYS A 575 ? 0.3309 0.2331 0.5450 0.0571 0.1662 -0.0012 598 CYS A C 4244 O O . CYS A 575 ? 0.3087 0.2046 0.5055 0.0531 0.1652 0.0000 598 CYS A O 4245 C CB . CYS A 575 ? 0.3971 0.3086 0.6279 0.0573 0.1857 -0.0115 598 CYS A CB 4246 S SG . CYS A 575 ? 0.4936 0.3841 0.6893 0.0512 0.1939 -0.0153 598 CYS A SG 4247 N N . LEU A 576 ? 0.3087 0.2042 0.5241 0.0611 0.1621 -0.0013 599 LEU A N 4248 C CA . LEU A 576 ? 0.3288 0.2103 0.5268 0.0593 0.1563 -0.0005 599 LEU A CA 4249 C C . LEU A 576 ? 0.4153 0.2809 0.5954 0.0573 0.1651 -0.0088 599 LEU A C 4250 O O . LEU A 576 ? 0.3881 0.2508 0.5737 0.0601 0.1720 -0.0135 599 LEU A O 4251 C CB . LEU A 576 ? 0.3133 0.1941 0.5205 0.0636 0.1470 0.0044 599 LEU A CB 4252 C CG . LEU A 576 ? 0.3640 0.2604 0.5878 0.0666 0.1373 0.0126 599 LEU A CG 4253 C CD1 . LEU A 576 ? 0.4133 0.3076 0.6465 0.0736 0.1316 0.0161 599 LEU A CD1 4254 C CD2 . LEU A 576 ? 0.2911 0.1879 0.5049 0.0618 0.1291 0.0176 599 LEU A CD2 4255 N N . LEU A 577 ? 0.3823 0.2382 0.5407 0.0530 0.1646 -0.0112 600 LEU A N 4256 C CA . LEU A 577 ? 0.4042 0.2452 0.5429 0.0508 0.1715 -0.0199 600 LEU A CA 4257 C C . LEU A 577 ? 0.4543 0.2852 0.5860 0.0490 0.1649 -0.0213 600 LEU A C 4258 O O . LEU A 577 ? 0.3391 0.1700 0.4633 0.0465 0.1576 -0.0189 600 LEU A O 4259 C CB . LEU A 577 ? 0.3490 0.1857 0.4656 0.0479 0.1761 -0.0232 600 LEU A CB 4260 C CG . LEU A 577 ? 0.3480 0.1919 0.4683 0.0477 0.1841 -0.0216 600 LEU A CG 4261 C CD1 . LEU A 577 ? 0.3683 0.2036 0.4605 0.0455 0.1879 -0.0236 600 LEU A CD1 4262 C CD2 . LEU A 577 ? 0.3693 0.2138 0.4997 0.0488 0.1944 -0.0265 600 LEU A CD2 4263 N N . HIS A 578 ? 0.4079 0.2295 0.5419 0.0500 0.1682 -0.0255 601 HIS A N 4264 C CA . HIS A 578 ? 0.4372 0.2464 0.5644 0.0469 0.1643 -0.0281 601 HIS A CA 4265 C C . HIS A 578 ? 0.3930 0.1895 0.4980 0.0418 0.1703 -0.0397 601 HIS A C 4266 O O . HIS A 578 ? 0.4275 0.2197 0.5265 0.0425 0.1791 -0.0463 601 HIS A O 4267 C CB . HIS A 578 ? 0.3827 0.1861 0.5228 0.0511 0.1647 -0.0261 601 HIS A CB 4268 C CG . HIS A 578 ? 0.4295 0.2440 0.5884 0.0567 0.1568 -0.0152 601 HIS A CG 4269 N ND1 . HIS A 578 ? 0.3650 0.1923 0.5411 0.0633 0.1583 -0.0118 601 HIS A ND1 4270 C CD2 . HIS A 578 ? 0.4330 0.2471 0.5950 0.0565 0.1476 -0.0079 601 HIS A CD2 4271 C CE1 . HIS A 578 ? 0.6074 0.4425 0.7962 0.0676 0.1496 -0.0032 601 HIS A CE1 4272 N NE2 . HIS A 578 ? 0.3551 0.1816 0.5347 0.0637 0.1431 -0.0001 601 HIS A NE2 4273 N N . GLN A 579 ? 0.4065 0.1984 0.4990 0.0365 0.1654 -0.0431 602 GLN A N 4274 C CA . GLN A 579 ? 0.4048 0.1856 0.4765 0.0308 0.1691 -0.0559 602 GLN A CA 4275 C C . GLN A 579 ? 0.4088 0.1823 0.4797 0.0238 0.1641 -0.0587 602 GLN A C 4276 O O . GLN A 579 ? 0.4435 0.2197 0.5267 0.0239 0.1576 -0.0499 602 GLN A O 4277 C CB . GLN A 579 ? 0.4304 0.2221 0.4814 0.0287 0.1645 -0.0582 602 GLN A CB 4278 C CG . GLN A 579 ? 0.3999 0.1956 0.4454 0.0340 0.1706 -0.0558 602 GLN A CG 4279 C CD . GLN A 579 ? 0.4616 0.2665 0.5267 0.0389 0.1696 -0.0443 602 GLN A CD 4280 O OE1 . GLN A 579 ? 0.4577 0.2733 0.5287 0.0381 0.1592 -0.0361 602 GLN A OE1 4281 N NE2 . GLN A 579 ? 0.3850 0.1912 0.4589 0.0421 0.1781 -0.0430 602 GLN A NE2 4282 N N . THR A 580 ? 0.4323 0.1984 0.4867 0.0166 0.1665 -0.0713 603 THR A N 4283 C CA . THR A 580 ? 0.5132 0.2732 0.5646 0.0070 0.1629 -0.0765 603 THR A CA 4284 C C . THR A 580 ? 0.4563 0.2343 0.5083 0.0025 0.1501 -0.0704 603 THR A C 4285 O O . THR A 580 ? 0.4497 0.2236 0.5109 -0.0012 0.1470 -0.0654 603 THR A O 4286 C CB . THR A 580 ? 0.4970 0.2517 0.5293 -0.0009 0.1669 -0.0930 603 THR A CB 4287 O OG1 . THR A 580 ? 0.6990 0.4342 0.7319 0.0016 0.1792 -0.0990 603 THR A OG1 4288 C CG2 . THR A 580 ? 0.5605 0.3148 0.5891 -0.0130 0.1622 -0.0997 603 THR A CG2 4289 N N . LYS A 581 ? 0.4072 0.2037 0.4480 0.0033 0.1429 -0.0706 604 LYS A N 4290 C CA . LYS A 581 ? 0.4658 0.2805 0.5052 -0.0010 0.1309 -0.0675 604 LYS A CA 4291 C C . LYS A 581 ? 0.4091 0.2349 0.4588 0.0059 0.1249 -0.0532 604 LYS A C 4292 O O . LYS A 581 ? 0.3941 0.2337 0.4449 0.0030 0.1155 -0.0495 604 LYS A O 4293 C CB . LYS A 581 ? 0.5351 0.3643 0.5543 -0.0039 0.1252 -0.0777 604 LYS A CB 4294 C CG . LYS A 581 ? 0.6212 0.4457 0.6305 -0.0139 0.1279 -0.0938 604 LYS A CG 4295 C CD . LYS A 581 ? 0.6338 0.4505 0.6553 -0.0236 0.1289 -0.0945 604 LYS A CD 4296 C CE . LYS A 581 ? 0.7954 0.6030 0.8085 -0.0350 0.1342 -0.1110 604 LYS A CE 4297 N NZ . LYS A 581 ? 0.8696 0.7005 0.8708 -0.0424 0.1254 -0.1233 604 LYS A NZ 4298 N N . TYR A 582 ? 0.3987 0.2200 0.4563 0.0143 0.1303 -0.0461 605 TYR A N 4299 C CA . TYR A 582 ? 0.3963 0.2293 0.4628 0.0196 0.1248 -0.0341 605 TYR A CA 4300 C C . TYR A 582 ? 0.4333 0.2592 0.5152 0.0269 0.1328 -0.0282 605 TYR A C 4301 O O . TYR A 582 ? 0.4144 0.2288 0.4960 0.0292 0.1429 -0.0340 605 TYR A O 4302 C CB . TYR A 582 ? 0.3897 0.2356 0.4399 0.0216 0.1195 -0.0343 605 TYR A CB 4303 C CG . TYR A 582 ? 0.3514 0.1917 0.3893 0.0264 0.1276 -0.0374 605 TYR A CG 4304 C CD1 . TYR A 582 ? 0.4048 0.2381 0.4255 0.0246 0.1324 -0.0487 605 TYR A CD1 4305 C CD2 . TYR A 582 ? 0.3986 0.2403 0.4412 0.0319 0.1311 -0.0296 605 TYR A CD2 4306 C CE1 . TYR A 582 ? 0.3944 0.2210 0.4014 0.0288 0.1408 -0.0514 605 TYR A CE1 4307 C CE2 . TYR A 582 ? 0.4385 0.2734 0.4686 0.0351 0.1403 -0.0325 605 TYR A CE2 4308 C CZ . TYR A 582 ? 0.4645 0.2913 0.4761 0.0339 0.1450 -0.0429 605 TYR A CZ 4309 O OH . TYR A 582 ? 0.4283 0.2471 0.4253 0.0369 0.1548 -0.0454 605 TYR A OH 4310 N N . ILE A 583 ? 0.3951 0.2294 0.4917 0.0305 0.1282 -0.0174 606 ILE A N 4311 C CA . ILE A 583 ? 0.3611 0.1952 0.4749 0.0376 0.1341 -0.0120 606 ILE A CA 4312 C C . ILE A 583 ? 0.4049 0.2535 0.5200 0.0393 0.1299 -0.0052 606 ILE A C 4313 O O . ILE A 583 ? 0.3076 0.1651 0.4166 0.0363 0.1205 -0.0015 606 ILE A O 4314 C CB . ILE A 583 ? 0.3325 0.1626 0.4651 0.0405 0.1324 -0.0057 606 ILE A CB 4315 C CG1 . ILE A 583 ? 0.3859 0.1998 0.5133 0.0375 0.1365 -0.0123 606 ILE A CG1 4316 C CG2 . ILE A 583 ? 0.3125 0.1534 0.4611 0.0467 0.1342 -0.0005 606 ILE A CG2 4317 C CD1 . ILE A 583 ? 0.3763 0.1863 0.5126 0.0381 0.1317 -0.0055 606 ILE A CD1 4318 N N . SER A 584 ? 0.3324 0.1830 0.4550 0.0436 0.1377 -0.0045 607 SER A N 4319 C CA . SER A 584 ? 0.3201 0.1820 0.4438 0.0440 0.1358 0.0010 607 SER A CA 4320 C C . SER A 584 ? 0.4051 0.2739 0.5522 0.0482 0.1413 0.0043 607 SER A C 4321 O O . SER A 584 ? 0.4302 0.2976 0.5861 0.0501 0.1467 0.0012 607 SER A O 4322 C CB . SER A 584 ? 0.3404 0.1982 0.4409 0.0426 0.1409 -0.0033 607 SER A CB 4323 O OG . SER A 584 ? 0.3934 0.2428 0.4929 0.0444 0.1538 -0.0095 607 SER A OG 4324 N N . ALA A 585 ? 0.3168 0.1975 0.4715 0.0478 0.1375 0.0102 608 ALA A N 4325 C CA . ALA A 585 ? 0.3167 0.2086 0.4910 0.0496 0.1429 0.0115 608 ALA A CA 4326 C C . ALA A 585 ? 0.3729 0.2623 0.5341 0.0465 0.1520 0.0088 608 ALA A C 4327 O O . ALA A 585 ? 0.4078 0.2999 0.5585 0.0430 0.1474 0.0126 608 ALA A O 4328 C CB . ALA A 585 ? 0.2508 0.1575 0.4432 0.0505 0.1329 0.0191 608 ALA A CB 4329 N N . TYR A 586 ? 0.3493 0.2324 0.5081 0.0469 0.1648 0.0025 609 TYR A N 4330 C CA . TYR A 586 ? 0.3471 0.2247 0.4904 0.0433 0.1755 -0.0002 609 TYR A CA 4331 C C . TYR A 586 ? 0.3773 0.2687 0.5428 0.0414 0.1823 0.0004 609 TYR A C 4332 O O . TYR A 586 ? 0.4227 0.3256 0.6113 0.0430 0.1838 -0.0014 609 TYR A O 4333 C CB . TYR A 586 ? 0.3797 0.2437 0.5069 0.0435 0.1865 -0.0078 609 TYR A CB 4334 C CG . TYR A 586 ? 0.3663 0.2206 0.4724 0.0401 0.1985 -0.0099 609 TYR A CG 4335 C CD1 . TYR A 586 ? 0.3424 0.2023 0.4599 0.0365 0.2102 -0.0119 609 TYR A CD1 4336 C CD2 . TYR A 586 ? 0.3473 0.1888 0.4199 0.0390 0.1953 -0.0088 609 TYR A CD2 4337 C CE1 . TYR A 586 ? 0.3604 0.2085 0.4555 0.0320 0.2220 -0.0131 609 TYR A CE1 4338 C CE2 . TYR A 586 ? 0.3658 0.1955 0.4149 0.0363 0.2055 -0.0092 609 TYR A CE2 4339 C CZ . TYR A 586 ? 0.3799 0.2107 0.4393 0.0326 0.2204 -0.0113 609 TYR A CZ 4340 O OH . TYR A 586 ? 0.3959 0.2110 0.4278 0.0291 0.2317 -0.0113 609 TYR A OH 4341 N N . SER A 587 ? 0.4090 0.3003 0.5639 0.0361 0.1837 0.0031 610 SER A N 4342 C CA . SER A 587 ? 0.3481 0.2538 0.5237 0.0320 0.1893 0.0031 610 SER A CA 4343 C C . SER A 587 ? 0.4017 0.2966 0.5610 0.0259 0.2056 -0.0009 610 SER A C 4344 O O . SER A 587 ? 0.3433 0.2217 0.4721 0.0231 0.2064 0.0017 610 SER A O 4345 C CB . SER A 587 ? 0.2943 0.2093 0.4738 0.0293 0.1776 0.0095 610 SER A CB 4346 O OG . SER A 587 ? 0.3514 0.2799 0.5490 0.0237 0.1843 0.0077 610 SER A OG 4347 N N . GLN A 588 ? 0.3659 0.2698 0.5434 0.0233 0.2161 -0.0065 611 GLN A N 4348 C CA . GLN A 588 ? 0.3871 0.2812 0.5499 0.0153 0.2306 -0.0101 611 GLN A CA 4349 C C . GLN A 588 ? 0.3639 0.2588 0.5233 0.0077 0.2321 -0.0072 611 GLN A C 4350 O O . GLN A 588 ? 0.3527 0.2303 0.4880 0.0013 0.2425 -0.0080 611 GLN A O 4351 C CB . GLN A 588 ? 0.3889 0.2955 0.5737 0.0132 0.2374 -0.0172 611 GLN A CB 4352 C CG . GLN A 588 ? 0.3225 0.2567 0.5435 0.0126 0.2307 -0.0182 611 GLN A CG 4353 C CD . GLN A 588 ? 0.3307 0.2804 0.5754 0.0142 0.2350 -0.0254 611 GLN A CD 4354 O OE1 . GLN A 588 ? 0.4326 0.3936 0.6893 0.0076 0.2422 -0.0311 611 GLN A OE1 4355 N NE2 . GLN A 588 ? 0.3266 0.2767 0.5777 0.0231 0.2303 -0.0257 611 GLN A NE2 4356 N N . ASP A 589 ? 0.3569 0.2696 0.5374 0.0082 0.2212 -0.0035 612 ASP A N 4357 C CA . ASP A 589 ? 0.3090 0.2224 0.4861 0.0000 0.2215 -0.0013 612 ASP A CA 4358 C C . ASP A 589 ? 0.3754 0.2628 0.5135 -0.0008 0.2214 0.0044 612 ASP A C 4359 O O . ASP A 589 ? 0.3674 0.2452 0.4925 -0.0084 0.2273 0.0054 612 ASP A O 4360 C CB . ASP A 589 ? 0.3604 0.2981 0.5659 0.0013 0.2078 0.0015 612 ASP A CB 4361 C CG . ASP A 589 ? 0.3110 0.2747 0.5512 0.0018 0.2047 -0.0041 612 ASP A CG 4362 O OD1 . ASP A 589 ? 0.4070 0.3731 0.6515 -0.0038 0.2148 -0.0111 612 ASP A OD1 4363 O OD2 . ASP A 589 ? 0.3201 0.3021 0.5820 0.0079 0.1917 -0.0012 612 ASP A OD2 4364 N N . ILE A 590 ? 0.3226 0.1978 0.4400 0.0072 0.2123 0.0078 613 ILE A N 4365 C CA . ILE A 590 ? 0.3354 0.1884 0.4154 0.0087 0.2082 0.0130 613 ILE A CA 4366 C C . ILE A 590 ? 0.3554 0.1894 0.4068 0.0138 0.2128 0.0113 613 ILE A C 4367 O O . ILE A 590 ? 0.3987 0.2153 0.4177 0.0176 0.2083 0.0149 613 ILE A O 4368 C CB . ILE A 590 ? 0.3680 0.2286 0.4497 0.0133 0.1890 0.0186 613 ILE A CB 4369 C CG1 . ILE A 590 ? 0.3214 0.1956 0.4210 0.0198 0.1783 0.0179 613 ILE A CG1 4370 C CG2 . ILE A 590 ? 0.3343 0.2083 0.4343 0.0076 0.1848 0.0207 613 ILE A CG2 4371 C CD1 . ILE A 590 ? 0.2804 0.1615 0.3804 0.0235 0.1604 0.0231 613 ILE A CD1 4372 N N . LEU A 591 ? 0.3598 0.1976 0.4225 0.0146 0.2216 0.0054 614 LEU A N 4373 C CA . LEU A 591 ? 0.4202 0.2409 0.4563 0.0188 0.2270 0.0024 614 LEU A CA 4374 C C . LEU A 591 ? 0.4126 0.2312 0.4351 0.0263 0.2109 0.0045 614 LEU A C 4375 O O . LEU A 591 ? 0.3950 0.1969 0.3847 0.0298 0.2112 0.0040 614 LEU A O 4376 C CB . LEU A 591 ? 0.4391 0.2343 0.4378 0.0156 0.2399 0.0034 614 LEU A CB 4377 C CG . LEU A 591 ? 0.4743 0.2641 0.4755 0.0059 0.2571 0.0012 614 LEU A CG 4378 C CD1 . LEU A 591 ? 0.5054 0.2634 0.4610 0.0047 0.2650 0.0034 614 LEU A CD1 4379 C CD2 . LEU A 591 ? 0.4420 0.2464 0.4713 0.0025 0.2633 -0.0064 614 LEU A CD2 4380 N N . MET A 592 ? 0.3480 0.1840 0.3945 0.0286 0.1969 0.0065 615 MET A N 4381 C CA . MET A 592 ? 0.3413 0.1770 0.3762 0.0338 0.1820 0.0082 615 MET A CA 4382 C C . MET A 592 ? 0.3157 0.1699 0.3813 0.0348 0.1707 0.0097 615 MET A C 4383 O O . MET A 592 ? 0.3445 0.2120 0.4377 0.0325 0.1723 0.0109 615 MET A O 4384 C CB . MET A 592 ? 0.3466 0.1732 0.3547 0.0353 0.1747 0.0135 615 MET A CB 4385 C CG . MET A 592 ? 0.3279 0.1654 0.3516 0.0327 0.1670 0.0191 615 MET A CG 4386 S SD . MET A 592 ? 0.3987 0.2226 0.3917 0.0345 0.1621 0.0250 615 MET A SD 4387 C CE . MET A 592 ? 0.5986 0.4188 0.5681 0.0424 0.1512 0.0239 615 MET A CE 4388 N N . PRO A 593 ? 0.3100 0.1660 0.3716 0.0380 0.1593 0.0096 616 PRO A N 4389 C CA . PRO A 593 ? 0.3284 0.1986 0.4161 0.0387 0.1495 0.0119 616 PRO A CA 4390 C C . PRO A 593 ? 0.2918 0.1731 0.3901 0.0369 0.1410 0.0185 616 PRO A C 4391 O O . PRO A 593 ? 0.3709 0.2484 0.4516 0.0362 0.1369 0.0215 616 PRO A O 4392 C CB . PRO A 593 ? 0.3896 0.2564 0.4647 0.0405 0.1409 0.0094 616 PRO A CB 4393 C CG . PRO A 593 ? 0.3123 0.1653 0.3619 0.0416 0.1486 0.0034 616 PRO A CG 4394 C CD . PRO A 593 ? 0.3228 0.1685 0.3573 0.0408 0.1560 0.0060 616 PRO A CD 4395 N N . LEU A 594 ? 0.2692 0.1640 0.3960 0.0369 0.1383 0.0205 617 LEU A N 4396 C CA . LEU A 594 ? 0.2933 0.2000 0.4308 0.0358 0.1271 0.0264 617 LEU A CA 4397 C C . LEU A 594 ? 0.3261 0.2321 0.4543 0.0371 0.1153 0.0284 617 LEU A C 4398 O O . LEU A 594 ? 0.3007 0.2112 0.4235 0.0358 0.1067 0.0323 617 LEU A O 4399 C CB . LEU A 594 ? 0.2786 0.2003 0.4473 0.0370 0.1261 0.0279 617 LEU A CB 4400 C CG . LEU A 594 ? 0.2760 0.2040 0.4604 0.0355 0.1377 0.0243 617 LEU A CG 4401 C CD1 . LEU A 594 ? 0.2878 0.2331 0.5039 0.0395 0.1338 0.0253 617 LEU A CD1 4402 C CD2 . LEU A 594 ? 0.3028 0.2312 0.4788 0.0292 0.1408 0.0253 617 LEU A CD2 4403 N N . TRP A 595 ? 0.2749 0.1753 0.4016 0.0390 0.1154 0.0249 618 TRP A N 4404 C CA . TRP A 595 ? 0.2370 0.1371 0.3561 0.0385 0.1059 0.0251 618 TRP A CA 4405 C C . TRP A 595 ? 0.3148 0.2047 0.4258 0.0390 0.1105 0.0183 618 TRP A C 4406 O O . TRP A 595 ? 0.2895 0.1734 0.4060 0.0408 0.1201 0.0147 618 TRP A O 4407 C CB . TRP A 595 ? 0.2557 0.1648 0.3933 0.0383 0.0976 0.0305 618 TRP A CB 4408 C CG . TRP A 595 ? 0.2357 0.1461 0.3958 0.0416 0.1014 0.0316 618 TRP A CG 4409 C CD1 . TRP A 595 ? 0.2999 0.2210 0.4794 0.0436 0.1021 0.0349 618 TRP A CD1 4410 C CD2 . TRP A 595 ? 0.2998 0.2011 0.4651 0.0441 0.1046 0.0288 618 TRP A CD2 4411 N NE1 . TRP A 595 ? 0.3016 0.2223 0.4987 0.0487 0.1049 0.0347 618 TRP A NE1 4412 C CE2 . TRP A 595 ? 0.2676 0.1748 0.4550 0.0489 0.1065 0.0314 618 TRP A CE2 4413 C CE3 . TRP A 595 ? 0.3363 0.2257 0.4894 0.0424 0.1058 0.0238 618 TRP A CE3 4414 C CZ2 . TRP A 595 ? 0.3326 0.2346 0.5259 0.0519 0.1084 0.0297 618 TRP A CZ2 4415 C CZ3 . TRP A 595 ? 0.3548 0.2342 0.5170 0.0455 0.1103 0.0219 618 TRP A CZ3 4416 C CH2 . TRP A 595 ? 0.3245 0.2114 0.5045 0.0500 0.1107 0.0251 618 TRP A CH2 4417 N N . ASN A 596 ? 0.2519 0.1410 0.3499 0.0371 0.1038 0.0158 619 ASN A N 4418 C CA . ASN A 596 ? 0.3132 0.1941 0.4002 0.0360 0.1063 0.0079 619 ASN A CA 4419 C C . ASN A 596 ? 0.3878 0.2730 0.4772 0.0321 0.0977 0.0077 619 ASN A C 4420 O O . ASN A 596 ? 0.4501 0.3447 0.5349 0.0307 0.0893 0.0104 619 ASN A O 4421 C CB . ASN A 596 ? 0.3548 0.2323 0.4162 0.0370 0.1076 0.0029 619 ASN A CB 4422 C CG . ASN A 596 ? 0.5017 0.3750 0.5498 0.0350 0.1072 -0.0065 619 ASN A CG 4423 O OD1 . ASN A 596 ? 0.5273 0.4067 0.5757 0.0314 0.0998 -0.0090 619 ASN A OD1 4424 N ND2 . ASN A 596 ? 0.5656 0.4290 0.6014 0.0365 0.1159 -0.0125 619 ASN A ND2 4425 N N . SER A 597 ? 0.3754 0.2525 0.4709 0.0299 0.1006 0.0040 620 SER A N 4426 C CA . SER A 597 ? 0.3348 0.2134 0.4340 0.0249 0.0944 0.0045 620 SER A CA 4427 C C . SER A 597 ? 0.2922 0.1615 0.3831 0.0199 0.0979 -0.0054 620 SER A C 4428 O O . SER A 597 ? 0.3136 0.1702 0.4065 0.0214 0.1063 -0.0094 620 SER A O 4429 C CB . SER A 597 ? 0.3383 0.2139 0.4564 0.0267 0.0939 0.0128 620 SER A CB 4430 O OG . SER A 597 ? 0.3212 0.1955 0.4400 0.0212 0.0890 0.0142 620 SER A OG 4431 N N . TYR A 598 ? 0.3117 0.1880 0.3948 0.0133 0.0917 -0.0098 621 TYR A N 4432 C CA . TYR A 598 ? 0.3528 0.2231 0.4281 0.0064 0.0944 -0.0208 621 TYR A CA 4433 C C . TYR A 598 ? 0.4155 0.2943 0.4913 -0.0022 0.0879 -0.0223 621 TYR A C 4434 O O . TYR A 598 ? 0.2846 0.1780 0.3617 -0.0017 0.0803 -0.0173 621 TYR A O 4435 C CB . TYR A 598 ? 0.3637 0.2383 0.4215 0.0074 0.0951 -0.0306 621 TYR A CB 4436 C CG . TYR A 598 ? 0.3025 0.1951 0.3495 0.0096 0.0860 -0.0305 621 TYR A CG 4437 C CD1 . TYR A 598 ? 0.3189 0.2144 0.3627 0.0175 0.0849 -0.0230 621 TYR A CD1 4438 C CD2 . TYR A 598 ? 0.3149 0.2216 0.3547 0.0040 0.0790 -0.0388 621 TYR A CD2 4439 C CE1 . TYR A 598 ? 0.3178 0.2264 0.3496 0.0210 0.0772 -0.0227 621 TYR A CE1 4440 C CE2 . TYR A 598 ? 0.3534 0.2769 0.3833 0.0081 0.0705 -0.0391 621 TYR A CE2 4441 C CZ . TYR A 598 ? 0.4516 0.3745 0.4766 0.0173 0.0695 -0.0305 621 TYR A CZ 4442 O OH . TYR A 598 ? 0.4227 0.3594 0.4362 0.0228 0.0613 -0.0303 621 TYR A OH 4443 N N . THR A 599 ? 0.3569 0.2260 0.4314 -0.0107 0.0921 -0.0303 622 THR A N 4444 C CA . THR A 599 ? 0.3507 0.2275 0.4249 -0.0213 0.0881 -0.0342 622 THR A CA 4445 C C . THR A 599 ? 0.3458 0.2323 0.4088 -0.0287 0.0873 -0.0499 622 THR A C 4446 O O . THR A 599 ? 0.4171 0.2918 0.4743 -0.0306 0.0939 -0.0586 622 THR A O 4447 C CB . THR A 599 ? 0.3639 0.2205 0.4451 -0.0271 0.0940 -0.0307 622 THR A CB 4448 O OG1 . THR A 599 ? 0.3177 0.1680 0.4091 -0.0189 0.0931 -0.0162 622 THR A OG1 4449 C CG2 . THR A 599 ? 0.3554 0.2191 0.4353 -0.0402 0.0917 -0.0354 622 THR A CG2 4450 N N . ILE A 600 ? 0.3342 0.2435 0.3944 -0.0326 0.0792 -0.0543 623 ILE A N 4451 C CA . ILE A 600 ? 0.4131 0.3372 0.4647 -0.0399 0.0767 -0.0702 623 ILE A CA 4452 C C . ILE A 600 ? 0.3978 0.3271 0.4557 -0.0544 0.0773 -0.0759 623 ILE A C 4453 O O . ILE A 600 ? 0.3929 0.3293 0.4581 -0.0560 0.0738 -0.0682 623 ILE A O 4454 C CB . ILE A 600 ? 0.4898 0.4388 0.5324 -0.0318 0.0668 -0.0729 623 ILE A CB 4455 C CG1 . ILE A 600 ? 0.4287 0.3879 0.4769 -0.0249 0.0602 -0.0605 623 ILE A CG1 4456 C CG2 . ILE A 600 ? 0.5919 0.5338 0.6219 -0.0218 0.0686 -0.0739 623 ILE A CG2 4457 C CD1 . ILE A 600 ? 0.4165 0.3972 0.4543 -0.0156 0.0508 -0.0629 623 ILE A CD1 4458 N N . SER A 601 ? 0.3913 0.3171 0.4455 -0.0658 0.0822 -0.0902 624 SER A N 4459 C CA . SER A 601 ? 0.4937 0.4220 0.5528 -0.0821 0.0852 -0.0978 624 SER A CA 4460 C C . SER A 601 ? 0.6342 0.5989 0.6942 -0.0866 0.0758 -0.1081 624 SER A C 4461 O O . SER A 601 ? 0.6878 0.6737 0.7426 -0.0760 0.0668 -0.1100 624 SER A O 4462 C CB . SER A 601 ? 0.5553 0.4655 0.6096 -0.0934 0.0949 -0.1107 624 SER A CB 4463 O OG . SER A 601 ? 0.6433 0.5714 0.6891 -0.0924 0.0906 -0.1251 624 SER A OG 4464 N N . LYS A 602 ? 0.5706 0.5423 0.6368 -0.1021 0.0784 -0.1149 625 LYS A N 4465 C CA . LYS A 602 ? 0.6011 0.6103 0.6705 -0.1078 0.0705 -0.1278 625 LYS A CA 4466 C C . LYS A 602 ? 0.7478 0.7712 0.8103 -0.1116 0.0687 -0.1468 625 LYS A C 4467 O O . LYS A 602 ? 0.7437 0.7510 0.8040 -0.1244 0.0777 -0.1570 625 LYS A O 4468 C CB . LYS A 602 ? 0.5432 0.5570 0.6214 -0.1252 0.0753 -0.1317 625 LYS A CB 4469 C CG . LYS A 602 ? 0.4867 0.5429 0.5706 -0.1321 0.0679 -0.1478 625 LYS A CG 4470 C CD . LYS A 602 ? 0.5337 0.5947 0.6265 -0.1519 0.0748 -0.1536 625 LYS A CD 4471 C CE . LYS A 602 ? 0.5196 0.6272 0.6215 -0.1551 0.0662 -0.1662 625 LYS A CE 4472 N NZ . LYS A 602 ? 0.5977 0.7104 0.7085 -0.1754 0.0744 -0.1719 625 LYS A NZ 4473 N N . SER A 603 ? 0.7043 0.7561 0.7619 -0.0999 0.0572 -0.1514 626 SER A N 4474 C CA . SER A 603 ? 0.8058 0.8768 0.8547 -0.0997 0.0521 -0.1688 626 SER A CA 4475 C C . SER A 603 ? 0.8865 0.9323 0.9218 -0.0927 0.0568 -0.1677 626 SER A C 4476 O O . SER A 603 ? 0.8881 0.8997 0.9236 -0.0939 0.0670 -0.1583 626 SER A O 4477 C CB . SER A 603 ? 0.8535 0.9405 0.9091 -0.1208 0.0556 -0.1894 626 SER A CB 4478 O OG . SER A 603 ? 0.8681 0.9821 0.9164 -0.1192 0.0478 -0.2071 626 SER A OG 4479 N N . LEU A 604 ? 0.9298 0.9933 0.9527 -0.0849 0.0492 -0.1779 627 LEU A N 4480 C CA . LEU A 604 ? 0.9517 0.9954 0.9591 -0.0779 0.0529 -0.1788 627 LEU A CA 4481 C C . LEU A 604 ? 0.9995 1.0515 1.0014 -0.0912 0.0549 -0.2011 627 LEU A C 4482 O O . LEU A 604 ? 1.0157 1.0743 1.0019 -0.0846 0.0508 -0.2097 627 LEU A O 4483 C CB . LEU A 604 ? 0.9285 0.9818 0.9212 -0.0573 0.0432 -0.1713 627 LEU A CB 4484 C CG . LEU A 604 ? 0.9401 0.9734 0.9138 -0.0470 0.0467 -0.1693 627 LEU A CG 4485 C CD1 . LEU A 604 ? 0.9296 0.9266 0.9070 -0.0536 0.0615 -0.1650 627 LEU A CD1 4486 C CD2 . LEU A 604 ? 0.9369 0.9687 0.8993 -0.0275 0.0410 -0.1544 627 LEU A CD2 4487 N N . PRO A 612 ? 1.2161 1.1683 0.9936 0.0653 0.0426 -0.1239 635 PRO A N 4488 C CA . PRO A 612 ? 1.2035 1.1455 0.9672 0.0792 0.0409 -0.1084 635 PRO A CA 4489 C C . PRO A 612 ? 1.2297 1.1476 0.9575 0.0892 0.0478 -0.1037 635 PRO A C 4490 O O . PRO A 612 ? 1.3172 1.2365 1.0161 0.1034 0.0395 -0.1009 635 PRO A O 4491 C CB . PRO A 612 ? 1.1790 1.1501 0.9386 0.0880 0.0232 -0.1123 635 PRO A CB 4492 C CG . PRO A 612 ? 1.1981 1.1930 0.9546 0.0821 0.0155 -0.1321 635 PRO A CG 4493 C CD . PRO A 612 ? 1.2271 1.2058 0.9907 0.0678 0.0290 -0.1392 635 PRO A CD 4494 N N . SER A 613 ? 1.1790 1.0746 0.9080 0.0821 0.0632 -0.1032 636 SER A N 4495 C CA . SER A 613 ? 1.1675 1.0362 0.8665 0.0892 0.0739 -0.0964 636 SER A CA 4496 C C . SER A 613 ? 1.2250 1.0760 0.9334 0.0913 0.0825 -0.0798 636 SER A C 4497 O O . SER A 613 ? 1.2701 1.1187 1.0102 0.0819 0.0901 -0.0763 636 SER A O 4498 C CB . SER A 613 ? 1.0810 0.9357 0.7781 0.0803 0.0874 -0.1051 636 SER A CB 4499 O OG . SER A 613 ? 1.0581 0.9298 0.7514 0.0754 0.0802 -0.1221 636 SER A OG 4500 N N . ALA A 614 ? 1.1929 1.0314 0.8735 0.1037 0.0812 -0.0698 637 ALA A N 4501 C CA . ALA A 614 ? 1.1512 0.9732 0.8404 0.1044 0.0897 -0.0552 637 ALA A CA 4502 C C . ALA A 614 ? 1.1800 0.9733 0.8545 0.1021 0.1083 -0.0506 637 ALA A C 4503 O O . ALA A 614 ? 1.1625 0.9503 0.8630 0.0921 0.1204 -0.0496 637 ALA A O 4504 C CB . ALA A 614 ? 1.1050 0.9271 0.7755 0.1178 0.0795 -0.0462 637 ALA A CB 4505 N N . SER A 615 ? 1.1684 0.9435 0.8009 0.1118 0.1110 -0.0479 638 SER A N 4506 C CA . SER A 615 ? 1.1932 0.9410 0.8084 0.1089 0.1299 -0.0450 638 SER A CA 4507 C C . SER A 615 ? 1.2292 0.9701 0.8076 0.1133 0.1306 -0.0539 638 SER A C 4508 O O . SER A 615 ? 1.3491 1.0695 0.9053 0.1139 0.1400 -0.0483 638 SER A O 4509 C CB . SER A 615 ? 1.2085 0.9322 0.8064 0.1140 0.1384 -0.0307 638 SER A CB 4510 O OG . SER A 615 ? 1.1725 0.8972 0.8075 0.1046 0.1464 -0.0250 638 SER A OG 4511 N N . ASP A 616 ? 1.2849 1.0488 0.8663 0.1132 0.1174 -0.0665 639 ASP A N 4512 C CA . ASP A 616 ? 1.1431 0.9051 0.7037 0.1114 0.1201 -0.0783 639 ASP A CA 4513 C C . ASP A 616 ? 0.9413 0.6946 0.5243 0.0981 0.1376 -0.0839 639 ASP A C 4514 O O . ASP A 616 ? 0.9431 0.6873 0.5133 0.0945 0.1456 -0.0881 639 ASP A O 4515 C CB . ASP A 616 ? 1.1339 0.9247 0.6953 0.1129 0.1022 -0.0924 639 ASP A CB 4516 C CG . ASP A 616 ? 1.2045 0.9983 0.7318 0.1191 0.0945 -0.0983 639 ASP A CG 4517 O OD1 . ASP A 616 ? 1.2306 1.0044 0.7391 0.1184 0.1052 -0.0939 639 ASP A OD1 4518 O OD2 . ASP A 616 ? 1.2257 1.0447 0.7485 0.1238 0.0772 -0.1073 639 ASP A OD2 4519 N N . CYS A 617 ? 0.9517 0.7139 0.5780 0.0893 0.1402 -0.0821 640 CYS A N 4520 C CA . CYS A 617 ? 0.8213 0.5793 0.4749 0.0778 0.1542 -0.0878 640 CYS A CA 4521 C C . CYS A 617 ? 0.7080 0.4644 0.3966 0.0736 0.1607 -0.0769 640 CYS A C 4522 O O . CYS A 617 ? 0.6614 0.4337 0.3746 0.0727 0.1498 -0.0732 640 CYS A O 4523 C CB . CYS A 617 ? 0.7390 0.5157 0.4115 0.0705 0.1465 -0.1022 640 CYS A CB 4524 S SG . CYS A 617 ? 0.7892 0.5602 0.5011 0.0582 0.1621 -0.1068 640 CYS A SG 4525 N N . LEU A 618 ? 0.6381 0.3763 0.3280 0.0709 0.1785 -0.0722 641 LEU A N 4526 C CA . LEU A 618 ? 0.6861 0.4248 0.4112 0.0660 0.1861 -0.0640 641 LEU A CA 4527 C C . LEU A 618 ? 0.6820 0.4076 0.4126 0.0607 0.2049 -0.0649 641 LEU A C 4528 O O . LEU A 618 ? 0.6551 0.3691 0.3587 0.0613 0.2101 -0.0653 641 LEU A O 4529 C CB . LEU A 618 ? 0.6296 0.3656 0.3503 0.0709 0.1817 -0.0506 641 LEU A CB 4530 C CG . LEU A 618 ? 0.6780 0.4163 0.4338 0.0657 0.1883 -0.0423 641 LEU A CG 4531 C CD1 . LEU A 618 ? 0.6233 0.3827 0.4177 0.0621 0.1771 -0.0430 641 LEU A CD1 4532 C CD2 . LEU A 618 ? 0.7167 0.4453 0.4576 0.0701 0.1879 -0.0307 641 LEU A CD2 4533 N N . ARG A 619 ? 0.6472 0.3787 0.4166 0.0548 0.2117 -0.0643 642 ARG A N 4534 C CA . ARG A 619 ? 0.6221 0.3484 0.4044 0.0491 0.2259 -0.0649 642 ARG A CA 4535 C C . ARG A 619 ? 0.6066 0.3402 0.4273 0.0457 0.2311 -0.0583 642 ARG A C 4536 O O . ARG A 619 ? 0.6163 0.3602 0.4583 0.0469 0.2232 -0.0556 642 ARG A O 4537 C CB . ARG A 619 ? 0.5998 0.3285 0.3884 0.0457 0.2281 -0.0770 642 ARG A CB 4538 C CG . ARG A 619 ? 0.5733 0.3138 0.3966 0.0435 0.2232 -0.0814 642 ARG A CG 4539 C CD . ARG A 619 ? 0.5865 0.3262 0.4089 0.0403 0.2242 -0.0939 642 ARG A CD 4540 N NE . ARG A 619 ? 0.5653 0.3118 0.4233 0.0374 0.2230 -0.0962 642 ARG A NE 4541 C CZ . ARG A 619 ? 0.5630 0.3159 0.4307 0.0370 0.2131 -0.0985 642 ARG A CZ 4542 N NH1 . ARG A 619 ? 0.5506 0.3069 0.3963 0.0393 0.2029 -0.0997 642 ARG A NH1 4543 N NH2 . ARG A 619 ? 0.5338 0.2898 0.4323 0.0344 0.2127 -0.0991 642 ARG A NH2 4544 N N . LEU A 620 ? 0.5724 0.3019 0.4020 0.0413 0.2441 -0.0564 643 LEU A N 4545 C CA . LEU A 620 ? 0.5488 0.2886 0.4169 0.0378 0.2490 -0.0522 643 LEU A CA 4546 C C . LEU A 620 ? 0.5281 0.2810 0.4297 0.0375 0.2447 -0.0575 643 LEU A C 4547 O O . LEU A 620 ? 0.5375 0.2885 0.4341 0.0377 0.2431 -0.0658 643 LEU A O 4548 C CB . LEU A 620 ? 0.5646 0.2989 0.4352 0.0326 0.2643 -0.0516 643 LEU A CB 4549 C CG . LEU A 620 ? 0.6519 0.3834 0.5214 0.0305 0.2722 -0.0607 643 LEU A CG 4550 C CD1 . LEU A 620 ? 0.5644 0.3105 0.4762 0.0290 0.2752 -0.0641 643 LEU A CD1 4551 C CD2 . LEU A 620 ? 0.6154 0.3322 0.4597 0.0269 0.2852 -0.0604 643 LEU A CD2 4552 N N . ASP A 621 ? 0.5023 0.2673 0.4373 0.0370 0.2429 -0.0524 644 ASP A N 4553 C CA . ASP A 621 ? 0.5265 0.3031 0.4952 0.0375 0.2389 -0.0547 644 ASP A CA 4554 C C . ASP A 621 ? 0.4878 0.2692 0.4784 0.0352 0.2501 -0.0566 644 ASP A C 4555 O O . ASP A 621 ? 0.4916 0.2786 0.4942 0.0331 0.2560 -0.0521 644 ASP A O 4556 C CB . ASP A 621 ? 0.4550 0.2429 0.4450 0.0392 0.2288 -0.0473 644 ASP A CB 4557 C CG . ASP A 621 ? 0.5289 0.3264 0.5495 0.0406 0.2225 -0.0481 644 ASP A CG 4558 O OD1 . ASP A 621 ? 0.5072 0.3038 0.5375 0.0404 0.2276 -0.0535 644 ASP A OD1 4559 O OD2 . ASP A 621 ? 0.4980 0.3028 0.5312 0.0421 0.2123 -0.0429 644 ASP A OD2 4560 N N . VAL A 622 ? 0.5243 0.3038 0.5202 0.0356 0.2533 -0.0640 645 VAL A N 4561 C CA . VAL A 622 ? 0.5499 0.3340 0.5649 0.0345 0.2642 -0.0669 645 VAL A CA 4562 C C . VAL A 622 ? 0.5241 0.3249 0.5782 0.0369 0.2612 -0.0627 645 VAL A C 4563 O O . VAL A 622 ? 0.5318 0.3403 0.6048 0.0367 0.2695 -0.0647 645 VAL A O 4564 C CB . VAL A 622 ? 0.5341 0.3103 0.5423 0.0350 0.2686 -0.0763 645 VAL A CB 4565 C CG1 . VAL A 622 ? 0.5848 0.3465 0.5546 0.0323 0.2739 -0.0810 645 VAL A CG1 4566 C CG2 . VAL A 622 ? 0.5172 0.2929 0.5327 0.0376 0.2582 -0.0786 645 VAL A CG2 4567 N N . ARG A 623 ? 0.5057 0.3131 0.5718 0.0395 0.2491 -0.0572 646 ARG A N 4568 C CA . ARG A 623 ? 0.4649 0.2885 0.5657 0.0425 0.2447 -0.0526 646 ARG A CA 4569 C C . ARG A 623 ? 0.4403 0.2748 0.5512 0.0400 0.2461 -0.0468 646 ARG A C 4570 O O . ARG A 623 ? 0.4683 0.3186 0.6085 0.0422 0.2437 -0.0443 646 ARG A O 4571 C CB . ARG A 623 ? 0.4246 0.2499 0.5340 0.0460 0.2311 -0.0489 646 ARG A CB 4572 C CG . ARG A 623 ? 0.4388 0.2521 0.5388 0.0471 0.2301 -0.0553 646 ARG A CG 4573 C CD . ARG A 623 ? 0.4264 0.2375 0.5266 0.0479 0.2175 -0.0520 646 ARG A CD 4574 N NE . ARG A 623 ? 0.4212 0.2291 0.5001 0.0450 0.2127 -0.0504 646 ARG A NE 4575 C CZ . ARG A 623 ? 0.4157 0.2212 0.4885 0.0443 0.2028 -0.0491 646 ARG A CZ 4576 N NH1 . ARG A 623 ? 0.4089 0.2127 0.4938 0.0450 0.1965 -0.0487 646 ARG A NH1 4577 N NH2 . ARG A 623 ? 0.4147 0.2183 0.4676 0.0430 0.1993 -0.0482 646 ARG A NH2 4578 N N . ILE A 624 ? 0.4405 0.2663 0.5270 0.0358 0.2501 -0.0451 647 ILE A N 4579 C CA . ILE A 624 ? 0.4640 0.2964 0.5556 0.0323 0.2520 -0.0398 647 ILE A CA 4580 C C . ILE A 624 ? 0.4684 0.2952 0.5503 0.0265 0.2671 -0.0435 647 ILE A C 4581 O O . ILE A 624 ? 0.4826 0.2921 0.5327 0.0246 0.2733 -0.0458 647 ILE A O 4582 C CB . ILE A 624 ? 0.4682 0.2920 0.5366 0.0321 0.2451 -0.0342 647 ILE A CB 4583 C CG1 . ILE A 624 ? 0.4964 0.3226 0.5688 0.0370 0.2307 -0.0322 647 ILE A CG1 4584 C CG2 . ILE A 624 ? 0.4531 0.2840 0.5302 0.0285 0.2468 -0.0287 647 ILE A CG2 4585 C CD1 . ILE A 624 ? 0.4156 0.2593 0.5229 0.0396 0.2223 -0.0283 647 ILE A CD1 4586 N N . PRO A 625 ? 0.4465 0.2873 0.5534 0.0235 0.2729 -0.0444 648 PRO A N 4587 C CA . PRO A 625 ? 0.5443 0.3789 0.6409 0.0162 0.2875 -0.0478 648 PRO A CA 4588 C C . PRO A 625 ? 0.5534 0.3686 0.6144 0.0115 0.2909 -0.0432 648 PRO A C 4589 O O . PRO A 625 ? 0.5361 0.3517 0.5943 0.0115 0.2839 -0.0369 648 PRO A O 4590 C CB . PRO A 625 ? 0.4550 0.3120 0.5872 0.0135 0.2893 -0.0490 648 PRO A CB 4591 C CG . PRO A 625 ? 0.4886 0.3631 0.6506 0.0216 0.2778 -0.0484 648 PRO A CG 4592 C CD . PRO A 625 ? 0.4617 0.3253 0.6073 0.0267 0.2663 -0.0434 648 PRO A CD 4593 N N . THR A 626 ? 0.6201 0.4177 0.6529 0.0079 0.3019 -0.0462 649 THR A N 4594 C CA . THR A 626 ? 0.6139 0.3885 0.6066 0.0049 0.3056 -0.0418 649 THR A CA 4595 C C . THR A 626 ? 0.5490 0.3235 0.5444 -0.0005 0.3067 -0.0365 649 THR A C 4596 O O . THR A 626 ? 0.5586 0.3186 0.5276 0.0007 0.3023 -0.0300 649 THR A O 4597 C CB . THR A 626 ? 0.6457 0.4050 0.6164 0.0005 0.3193 -0.0466 649 THR A CB 4598 O OG1 . THR A 626 ? 0.7127 0.4774 0.6910 0.0046 0.3192 -0.0532 649 THR A OG1 4599 C CG2 . THR A 626 ? 0.7443 0.4770 0.6672 0.0009 0.3202 -0.0421 649 THR A CG2 4600 N N . VAL A 627 ? 0.5331 0.3235 0.5590 -0.0064 0.3126 -0.0399 650 VAL A N 4601 C CA . VAL A 627 ? 0.5721 0.3627 0.6009 -0.0130 0.3142 -0.0367 650 VAL A CA 4602 C C . VAL A 627 ? 0.5933 0.3959 0.6363 -0.0086 0.3003 -0.0308 650 VAL A C 4603 O O . VAL A 627 ? 0.6167 0.4159 0.6554 -0.0127 0.2992 -0.0268 650 VAL A O 4604 C CB . VAL A 627 ? 0.6059 0.4138 0.6648 -0.0207 0.3237 -0.0441 650 VAL A CB 4605 C CG1 . VAL A 627 ? 0.5194 0.3582 0.6219 -0.0158 0.3161 -0.0477 650 VAL A CG1 4606 C CG2 . VAL A 627 ? 0.6118 0.4170 0.6696 -0.0297 0.3274 -0.0428 650 VAL A CG2 4607 N N . GLN A 628 ? 0.5366 0.3519 0.5953 -0.0004 0.2895 -0.0303 651 GLN A N 4608 C CA . GLN A 628 ? 0.5428 0.3693 0.6146 0.0044 0.2759 -0.0248 651 GLN A CA 4609 C C . GLN A 628 ? 0.4909 0.3023 0.5334 0.0112 0.2678 -0.0203 651 GLN A C 4610 O O . GLN A 628 ? 0.4410 0.2621 0.4950 0.0168 0.2555 -0.0172 651 GLN A O 4611 C CB . GLN A 628 ? 0.5347 0.3872 0.6474 0.0089 0.2681 -0.0274 651 GLN A CB 4612 C CG . GLN A 628 ? 0.5163 0.3881 0.6596 0.0034 0.2740 -0.0325 651 GLN A CG 4613 C CD . GLN A 628 ? 0.5690 0.4648 0.7489 0.0100 0.2662 -0.0352 651 GLN A CD 4614 O OE1 . GLN A 628 ? 0.6200 0.5373 0.8287 0.0081 0.2664 -0.0386 651 GLN A OE1 4615 N NE2 . GLN A 628 ? 0.5421 0.4341 0.7195 0.0182 0.2587 -0.0337 651 GLN A NE2 4616 N N . SER A 629 ? 0.4638 0.2523 0.4681 0.0112 0.2736 -0.0204 652 SER A N 4617 C CA . SER A 629 ? 0.4824 0.2584 0.4574 0.0184 0.2655 -0.0185 652 SER A CA 4618 C C . SER A 629 ? 0.5576 0.3114 0.4923 0.0188 0.2666 -0.0127 652 SER A C 4619 O O . SER A 629 ? 0.5734 0.3128 0.4923 0.0129 0.2771 -0.0115 652 SER A O 4620 C CB . SER A 629 ? 0.5813 0.3510 0.5445 0.0204 0.2688 -0.0249 652 SER A CB 4621 O OG . SER A 629 ? 0.6808 0.4675 0.6789 0.0195 0.2706 -0.0303 652 SER A OG 4622 N N . GLN A 630 ? 0.5485 0.2991 0.4667 0.0263 0.2549 -0.0095 653 GLN A N 4623 C CA . GLN A 630 ? 0.6049 0.3335 0.4787 0.0306 0.2529 -0.0051 653 GLN A CA 4624 C C . GLN A 630 ? 0.5987 0.3142 0.4442 0.0328 0.2560 -0.0095 653 GLN A C 4625 O O . GLN A 630 ? 0.5838 0.3088 0.4409 0.0342 0.2537 -0.0162 653 GLN A O 4626 C CB . GLN A 630 ? 0.5383 0.2736 0.4080 0.0381 0.2342 -0.0015 653 GLN A CB 4627 C CG . GLN A 630 ? 0.4763 0.2203 0.3629 0.0361 0.2267 0.0051 653 GLN A CG 4628 C CD . GLN A 630 ? 0.4926 0.2459 0.3771 0.0427 0.2065 0.0080 653 GLN A CD 4629 O OE1 . GLN A 630 ? 0.5369 0.2782 0.3880 0.0495 0.2000 0.0103 653 GLN A OE1 4630 N NE2 . GLN A 630 ? 0.4305 0.2056 0.3498 0.0412 0.1964 0.0080 653 GLN A NE2 4631 N N . THR A 631 ? 0.6698 0.3620 0.4767 0.0334 0.2607 -0.0056 654 THR A N 4632 C CA . THR A 631 ? 0.6614 0.3403 0.4366 0.0367 0.2619 -0.0090 654 THR A CA 4633 C C . THR A 631 ? 0.7003 0.3655 0.4346 0.0469 0.2506 -0.0043 654 THR A C 4634 O O . THR A 631 ? 0.7084 0.3666 0.4324 0.0502 0.2459 0.0031 654 THR A O 4635 C CB . THR A 631 ? 0.6575 0.3195 0.4202 0.0295 0.2774 -0.0093 654 THR A CB 4636 O OG1 . THR A 631 ? 0.6879 0.3280 0.4241 0.0294 0.2800 -0.0013 654 THR A OG1 4637 C CG2 . THR A 631 ? 0.6167 0.2936 0.4206 0.0196 0.2885 -0.0138 654 THR A CG2 4638 N N . CYS A 632 ? 0.6400 0.3025 0.3515 0.0522 0.2456 -0.0093 655 CYS A N 4639 C CA . CYS A 632 ? 0.6979 0.3482 0.3681 0.0627 0.2345 -0.0057 655 CYS A CA 4640 C C . CYS A 632 ? 0.7736 0.3967 0.4125 0.0634 0.2411 0.0032 655 CYS A C 4641 O O . CYS A 632 ? 0.7411 0.3537 0.3546 0.0724 0.2317 0.0100 655 CYS A O 4642 C CB . CYS A 632 ? 0.7025 0.3560 0.3552 0.0667 0.2294 -0.0140 655 CYS A CB 4643 S SG . CYS A 632 ? 0.7695 0.4506 0.4565 0.0659 0.2208 -0.0248 655 CYS A SG 4644 N N . SER A 633 ? 0.7197 0.3308 0.3612 0.0541 0.2571 0.0029 656 SER A N 4645 C CA . SER A 633 ? 0.7552 0.3381 0.3699 0.0531 0.2650 0.0103 656 SER A CA 4646 C C . SER A 633 ? 0.8165 0.3961 0.4432 0.0512 0.2647 0.0169 656 SER A C 4647 O O . SER A 633 ? 0.8098 0.3662 0.4083 0.0559 0.2636 0.0238 656 SER A O 4648 C CB . SER A 633 ? 0.7835 0.3567 0.4019 0.0423 0.2828 0.0064 656 SER A CB 4649 O OG . SER A 633 ? 0.8665 0.4331 0.4585 0.0462 0.2826 0.0026 656 SER A OG 4650 N N . ASN A 634 ? 0.7985 0.4011 0.4665 0.0451 0.2650 0.0144 657 ASN A N 4651 C CA . ASN A 634 ? 0.7006 0.3035 0.3814 0.0433 0.2632 0.0198 657 ASN A CA 4652 C C . ASN A 634 ? 0.7000 0.2953 0.3539 0.0563 0.2482 0.0264 657 ASN A C 4653 O O . ASN A 634 ? 0.7516 0.3349 0.3995 0.0570 0.2475 0.0320 657 ASN A O 4654 C CB . ASN A 634 ? 0.7197 0.3527 0.4488 0.0373 0.2624 0.0159 657 ASN A CB 4655 C CG . ASN A 634 ? 0.7066 0.3481 0.4679 0.0244 0.2767 0.0105 657 ASN A CG 4656 O OD1 . ASN A 634 ? 0.6593 0.3262 0.4593 0.0209 0.2762 0.0057 657 ASN A OD1 4657 N ND2 . ASN A 634 ? 0.7146 0.3354 0.4612 0.0178 0.2889 0.0107 657 ASN A ND2 4658 N N . TYR A 635 ? 0.7267 0.3306 0.3659 0.0668 0.2355 0.0244 658 TYR A N 4659 C CA . TYR A 635 ? 0.8274 0.4274 0.4409 0.0807 0.2196 0.0294 658 TYR A CA 4660 C C . TYR A 635 ? 0.9306 0.5055 0.4997 0.0896 0.2177 0.0326 658 TYR A C 4661 O O . TYR A 635 ? 0.9094 0.4895 0.4593 0.0985 0.2078 0.0294 658 TYR A O 4662 C CB . TYR A 635 ? 0.6976 0.3254 0.3242 0.0871 0.2054 0.0234 658 TYR A CB 4663 C CG . TYR A 635 ? 0.6974 0.3481 0.3668 0.0808 0.2046 0.0214 658 TYR A CG 4664 C CD1 . TYR A 635 ? 0.6349 0.3002 0.3417 0.0695 0.2135 0.0157 658 TYR A CD1 4665 C CD2 . TYR A 635 ? 0.6473 0.3088 0.3271 0.0853 0.1901 0.0260 658 TYR A CD2 4666 C CE1 . TYR A 635 ? 0.5859 0.2749 0.3370 0.0636 0.2074 0.0152 658 TYR A CE1 4667 C CE2 . TYR A 635 ? 0.5722 0.2575 0.2964 0.0781 0.1847 0.0251 658 TYR A CE2 4668 C CZ . TYR A 635 ? 0.5739 0.2724 0.3327 0.0675 0.1930 0.0201 658 TYR A CZ 4669 O OH . TYR A 635 ? 0.5524 0.2734 0.3522 0.0619 0.1867 0.0200 658 TYR A OH 4670 N N . GLN A 636 ? 0.9870 0.5347 0.5412 0.0868 0.2275 0.0380 659 GLN A N 4671 C CA . GLN A 636 ? 1.0831 0.6023 0.5952 0.0953 0.2276 0.0419 659 GLN A CA 4672 C C . GLN A 636 ? 1.1479 0.6683 0.6356 0.1136 0.2081 0.0456 659 GLN A C 4673 O O . GLN A 636 ? 1.1545 0.6892 0.6558 0.1184 0.1976 0.0472 659 GLN A O 4674 C CB . GLN A 636 ? 1.0827 0.5734 0.5882 0.0880 0.2421 0.0454 659 GLN A CB 4675 C CG . GLN A 636 ? 1.2095 0.6653 0.6730 0.0938 0.2475 0.0489 659 GLN A CG 4676 C CD . GLN A 636 ? 1.3038 0.7468 0.7366 0.1120 0.2331 0.0546 659 GLN A CD 4677 O OE1 . GLN A 636 ? 1.3335 0.7915 0.7781 0.1188 0.2207 0.0561 659 GLN A OE1 4678 N NE2 . GLN A 636 ? 1.4032 0.8191 0.7970 0.1206 0.2346 0.0576 659 GLN A NE2 4679 N N . PRO A 637 ? 1.2070 0.7149 0.6598 0.1243 0.2027 0.0463 660 PRO A N 4680 C CA . PRO A 637 ? 1.2338 0.7442 0.6642 0.1431 0.1837 0.0491 660 PRO A CA 4681 C C . PRO A 637 ? 1.2719 0.7683 0.6976 0.1507 0.1800 0.0554 660 PRO A C 4682 O O . PRO A 637 ? 1.2596 0.7757 0.6946 0.1598 0.1649 0.0554 660 PRO A O 4683 C CB . PRO A 637 ? 1.2590 0.7507 0.6517 0.1506 0.1842 0.0496 660 PRO A CB 4684 C CG . PRO A 637 ? 1.2848 0.7830 0.6883 0.1366 0.1964 0.0432 660 PRO A CG 4685 C CD . PRO A 637 ? 1.2894 0.7870 0.7256 0.1199 0.2121 0.0431 660 PRO A CD 4686 N N . ASP A 638 ? 1.2660 0.7302 0.6778 0.1473 0.1931 0.0596 661 ASP A N 4687 C CA . ASP A 638 ? 1.3113 0.7625 0.7167 0.1556 0.1892 0.0635 661 ASP A CA 4688 C C . ASP A 638 ? 1.2241 0.6934 0.6666 0.1454 0.1906 0.0622 661 ASP A C 4689 O O . ASP A 638 ? 1.2475 0.7046 0.7017 0.1329 0.2046 0.0618 661 ASP A O 4690 C CB . ASP A 638 ? 1.4121 0.8228 0.7894 0.1545 0.2037 0.0665 661 ASP A CB 4691 C CG . ASP A 638 ? 1.4926 0.8871 0.8570 0.1648 0.2001 0.0693 661 ASP A CG 4692 O OD1 . ASP A 638 ? 1.4981 0.9137 0.8834 0.1680 0.1900 0.0686 661 ASP A OD1 4693 O OD2 . ASP A 638 ? 1.5047 0.8648 0.8368 0.1698 0.2080 0.0719 661 ASP A OD2 4694 N N . LEU A 639 ? 1.1554 0.6558 0.6167 0.1509 0.1754 0.0608 662 LEU A N 4695 C CA . LEU A 639 ? 1.0537 0.5744 0.5511 0.1409 0.1761 0.0597 662 LEU A CA 4696 C C . LEU A 639 ? 0.9824 0.5265 0.4871 0.1533 0.1571 0.0599 662 LEU A C 4697 O O . LEU A 639 ? 1.1031 0.6595 0.5944 0.1667 0.1425 0.0586 662 LEU A O 4698 C CB . LEU A 639 ? 1.0470 0.5877 0.5727 0.1262 0.1836 0.0556 662 LEU A CB 4699 C CG . LEU A 639 ? 1.0509 0.5980 0.6115 0.1088 0.1965 0.0543 662 LEU A CG 4700 C CD1 . LEU A 639 ? 1.1198 0.6391 0.6708 0.1022 0.2104 0.0551 662 LEU A CD1 4701 C CD2 . LEU A 639 ? 1.0395 0.6022 0.6230 0.0965 0.2056 0.0493 662 LEU A CD2 4702 N N . ALA A 640 ? 0.9246 0.4771 0.4520 0.1480 0.1573 0.0606 663 ALA A N 4703 C CA . ALA A 640 ? 0.8057 0.3844 0.3480 0.1557 0.1412 0.0603 663 ALA A CA 4704 C C . ALA A 640 ? 0.7781 0.3860 0.3511 0.1463 0.1393 0.0582 663 ALA A C 4705 O O . ALA A 640 ? 0.7280 0.3595 0.3154 0.1510 0.1264 0.0577 663 ALA A O 4706 C CB . ALA A 640 ? 0.7786 0.3525 0.3290 0.1544 0.1423 0.0617 663 ALA A CB 4707 N N . ILE A 641 ? 0.7776 0.3846 0.3610 0.1332 0.1525 0.0561 664 ILE A N 4708 C CA . ILE A 641 ? 0.7413 0.3776 0.3614 0.1226 0.1521 0.0510 664 ILE A CA 4709 C C . ILE A 641 ? 0.7381 0.3842 0.3532 0.1234 0.1508 0.0436 664 ILE A C 4710 O O . ILE A 641 ? 0.6569 0.2806 0.2418 0.1255 0.1599 0.0444 664 ILE A O 4711 C CB . ILE A 641 ? 0.7241 0.3586 0.3744 0.1050 0.1676 0.0516 664 ILE A CB 4712 C CG1 . ILE A 641 ? 0.8424 0.4828 0.5119 0.1028 0.1625 0.0554 664 ILE A CG1 4713 C CG2 . ILE A 641 ? 0.5912 0.2537 0.2815 0.0940 0.1680 0.0436 664 ILE A CG2 4714 C CD1 . ILE A 641 ? 0.8057 0.4573 0.5144 0.0862 0.1717 0.0538 664 ILE A CD1 4715 N N . THR A 642 ? 0.5950 0.2744 0.2409 0.1213 0.1383 0.0361 665 THR A N 4716 C CA . THR A 642 ? 0.7168 0.4082 0.3624 0.1207 0.1363 0.0275 665 THR A CA 4717 C C . THR A 642 ? 0.6095 0.3279 0.3031 0.1080 0.1351 0.0212 665 THR A C 4718 O O . THR A 642 ? 0.5595 0.2927 0.2828 0.1036 0.1298 0.0231 665 THR A O 4719 C CB . THR A 642 ? 0.7658 0.4702 0.3908 0.1349 0.1185 0.0232 665 THR A CB 4720 O OG1 . THR A 642 ? 0.8757 0.5908 0.4998 0.1325 0.1176 0.0135 665 THR A OG1 4721 C CG2 . THR A 642 ? 0.6884 0.4224 0.3417 0.1368 0.1018 0.0211 665 THR A CG2 4722 N N . PRO A 643 ? 0.6680 0.3912 0.3687 0.1021 0.1408 0.0138 666 PRO A N 4723 C CA . PRO A 643 ? 0.5840 0.3303 0.3280 0.0916 0.1396 0.0081 666 PRO A CA 4724 C C . PRO A 643 ? 0.4927 0.2660 0.2548 0.0939 0.1216 0.0038 666 PRO A C 4725 O O . PRO A 643 ? 0.5919 0.3733 0.3367 0.1012 0.1110 -0.0016 666 PRO A O 4726 C CB . PRO A 643 ? 0.6138 0.3560 0.3530 0.0877 0.1489 0.0002 666 PRO A CB 4727 C CG . PRO A 643 ? 0.6077 0.3217 0.3052 0.0928 0.1598 0.0038 666 PRO A CG 4728 C CD . PRO A 643 ? 0.6575 0.3620 0.3270 0.1040 0.1510 0.0110 666 PRO A CD 4729 N N . GLY A 644 ? 0.5635 0.3517 0.3606 0.0872 0.1184 0.0058 667 GLY A N 4730 C CA . GLY A 644 ? 0.5038 0.3178 0.3233 0.0858 0.1045 0.0007 667 GLY A CA 4731 C C . GLY A 644 ? 0.4638 0.2876 0.3149 0.0754 0.1089 -0.0044 667 GLY A C 4732 O O . GLY A 644 ? 0.5134 0.3283 0.3775 0.0698 0.1210 -0.0017 667 GLY A O 4733 N N . PHE A 645 ? 0.4900 0.3315 0.3537 0.0729 0.0998 -0.0118 668 PHE A N 4734 C CA . PHE A 645 ? 0.4826 0.3304 0.3735 0.0639 0.1037 -0.0166 668 PHE A CA 4735 C C . PHE A 645 ? 0.4627 0.3256 0.3838 0.0589 0.0968 -0.0133 668 PHE A C 4736 O O . PHE A 645 ? 0.4174 0.2937 0.3382 0.0610 0.0854 -0.0132 668 PHE A O 4737 C CB . PHE A 645 ? 0.4652 0.3190 0.3477 0.0626 0.1003 -0.0283 668 PHE A CB 4738 C CG . PHE A 645 ? 0.5116 0.3503 0.3657 0.0663 0.1082 -0.0328 668 PHE A CG 4739 C CD1 . PHE A 645 ? 0.5288 0.3551 0.3883 0.0617 0.1219 -0.0355 668 PHE A CD1 4740 C CD2 . PHE A 645 ? 0.5658 0.4033 0.3868 0.0752 0.1016 -0.0347 668 PHE A CD2 4741 C CE1 . PHE A 645 ? 0.5980 0.4101 0.4300 0.0645 0.1300 -0.0401 668 PHE A CE1 4742 C CE2 . PHE A 645 ? 0.6337 0.4566 0.4258 0.0788 0.1086 -0.0387 668 PHE A CE2 4743 C CZ . PHE A 645 ? 0.6272 0.4369 0.4243 0.0727 0.1234 -0.0415 668 PHE A CZ 4744 N N . LEU A 646 ? 0.4239 0.2852 0.3707 0.0528 0.1037 -0.0110 669 LEU A N 4745 C CA . LEU A 646 ? 0.3866 0.2606 0.3592 0.0485 0.0971 -0.0076 669 LEU A CA 4746 C C . LEU A 646 ? 0.4765 0.3594 0.4575 0.0435 0.0920 -0.0154 669 LEU A C 4747 O O . LEU A 646 ? 0.4461 0.3426 0.4307 0.0419 0.0821 -0.0165 669 LEU A O 4748 C CB . LEU A 646 ? 0.3217 0.1923 0.3182 0.0453 0.1046 -0.0016 669 LEU A CB 4749 C CG . LEU A 646 ? 0.4101 0.2769 0.4060 0.0472 0.1080 0.0063 669 LEU A CG 4750 C CD1 . LEU A 646 ? 0.3603 0.2303 0.3847 0.0436 0.1130 0.0107 669 LEU A CD1 4751 C CD2 . LEU A 646 ? 0.4223 0.2960 0.4090 0.0502 0.0976 0.0105 669 LEU A CD2 4752 N N . TYR A 647 ? 0.4021 0.2771 0.3867 0.0404 0.0996 -0.0213 670 TYR A N 4753 C CA . TYR A 647 ? 0.3973 0.2775 0.3832 0.0352 0.0960 -0.0307 670 TYR A CA 4754 C C . TYR A 647 ? 0.4237 0.3069 0.3832 0.0382 0.0923 -0.0395 670 TYR A C 4755 O O . TYR A 647 ? 0.4201 0.2917 0.3628 0.0417 0.0995 -0.0419 670 TYR A O 4756 C CB . TYR A 647 ? 0.3910 0.2597 0.3898 0.0309 0.1057 -0.0344 670 TYR A CB 4757 C CG . TYR A 647 ? 0.4236 0.2945 0.4190 0.0246 0.1035 -0.0458 670 TYR A CG 4758 C CD1 . TYR A 647 ? 0.4186 0.2978 0.4268 0.0181 0.0973 -0.0468 670 TYR A CD1 4759 C CD2 . TYR A 647 ? 0.4129 0.2776 0.3912 0.0243 0.1081 -0.0562 670 TYR A CD2 4760 C CE1 . TYR A 647 ? 0.4668 0.3476 0.4718 0.0103 0.0965 -0.0585 670 TYR A CE1 4761 C CE2 . TYR A 647 ? 0.4240 0.2914 0.3990 0.0172 0.1063 -0.0682 670 TYR A CE2 4762 C CZ . TYR A 647 ? 0.4552 0.3306 0.4441 0.0097 0.1008 -0.0696 670 TYR A CZ 4763 O OH . TYR A 647 ? 0.4733 0.3511 0.4586 0.0010 0.1003 -0.0829 670 TYR A OH 4764 N N . PRO A 648 ? 0.4620 0.3614 0.4163 0.0374 0.0812 -0.0445 671 PRO A N 4765 C CA . PRO A 648 ? 0.4404 0.3460 0.3686 0.0429 0.0755 -0.0520 671 PRO A CA 4766 C C . PRO A 648 ? 0.4878 0.3896 0.4081 0.0381 0.0798 -0.0646 671 PRO A C 4767 O O . PRO A 648 ? 0.5271 0.4333 0.4619 0.0288 0.0800 -0.0720 671 PRO A O 4768 C CB . PRO A 648 ? 0.4005 0.3289 0.3322 0.0429 0.0622 -0.0546 671 PRO A CB 4769 C CG . PRO A 648 ? 0.4138 0.3444 0.3697 0.0387 0.0619 -0.0454 671 PRO A CG 4770 C CD . PRO A 648 ? 0.4263 0.3408 0.3978 0.0325 0.0730 -0.0431 671 PRO A CD 4771 N N . PRO A 649 ? 0.4503 0.3421 0.3462 0.0439 0.0840 -0.0677 672 PRO A N 4772 C CA . PRO A 649 ? 0.5120 0.4008 0.3977 0.0394 0.0877 -0.0809 672 PRO A CA 4773 C C . PRO A 649 ? 0.6676 0.5778 0.5500 0.0356 0.0763 -0.0934 672 PRO A C 4774 O O . PRO A 649 ? 0.6821 0.5925 0.5637 0.0280 0.0790 -0.1060 672 PRO A O 4775 C CB . PRO A 649 ? 0.5493 0.4245 0.4050 0.0481 0.0928 -0.0800 672 PRO A CB 4776 C CG . PRO A 649 ? 0.5700 0.4353 0.4260 0.0545 0.0965 -0.0655 672 PRO A CG 4777 C CD . PRO A 649 ? 0.4444 0.3251 0.3191 0.0541 0.0866 -0.0593 672 PRO A CD 4778 N N . ASP A 650 ? 0.6020 0.5314 0.4833 0.0404 0.0639 -0.0913 673 ASP A N 4779 C CA . ASP A 650 ? 0.6537 0.6076 0.5336 0.0365 0.0531 -0.1049 673 ASP A CA 4780 C C . ASP A 650 ? 0.6343 0.5955 0.5413 0.0218 0.0545 -0.1106 673 ASP A C 4781 O O . ASP A 650 ? 0.6662 0.6466 0.5749 0.0147 0.0483 -0.1243 673 ASP A O 4782 C CB . ASP A 650 ? 0.6899 0.6646 0.5595 0.0474 0.0391 -0.1027 673 ASP A CB 4783 C CG . ASP A 650 ? 0.7432 0.7108 0.6181 0.0550 0.0389 -0.0860 673 ASP A CG 4784 O OD1 . ASP A 650 ? 0.7110 0.6575 0.5727 0.0626 0.0457 -0.0755 673 ASP A OD1 4785 O OD2 . ASP A 650 ? 0.7227 0.7079 0.6135 0.0535 0.0316 -0.0846 673 ASP A OD2 4786 N N . PHE A 651 ? 0.6312 0.5762 0.5578 0.0168 0.0633 -0.1012 674 PHE A N 4787 C CA . PHE A 651 ? 0.5679 0.5133 0.5164 0.0034 0.0665 -0.1054 674 PHE A CA 4788 C C . PHE A 651 ? 0.6150 0.5418 0.5647 -0.0048 0.0777 -0.1135 674 PHE A C 4789 O O . PHE A 651 ? 0.5844 0.5107 0.5466 -0.0168 0.0803 -0.1207 674 PHE A O 4790 C CB . PHE A 651 ? 0.4753 0.4137 0.4440 0.0032 0.0689 -0.0908 674 PHE A CB 4791 C CG . PHE A 651 ? 0.5028 0.4598 0.4744 0.0083 0.0584 -0.0841 674 PHE A CG 4792 C CD1 . PHE A 651 ? 0.4487 0.4290 0.4089 0.0120 0.0475 -0.0921 674 PHE A CD1 4793 C CD2 . PHE A 651 ? 0.4247 0.3766 0.4107 0.0099 0.0594 -0.0705 674 PHE A CD2 4794 C CE1 . PHE A 651 ? 0.5040 0.5006 0.4671 0.0179 0.0386 -0.0862 674 PHE A CE1 4795 C CE2 . PHE A 651 ? 0.4410 0.4086 0.4293 0.0143 0.0507 -0.0651 674 PHE A CE2 4796 C CZ . PHE A 651 ? 0.4105 0.3998 0.3874 0.0184 0.0406 -0.0729 674 PHE A CZ 4797 N N . SER A 652 ? 0.6265 0.5361 0.5632 0.0010 0.0856 -0.1127 675 SER A N 4798 C CA . SER A 652 ? 0.6971 0.5881 0.6363 -0.0062 0.0970 -0.1205 675 SER A CA 4799 C C . SER A 652 ? 0.7582 0.6586 0.6824 -0.0128 0.0943 -0.1390 675 SER A C 4800 O O . SER A 652 ? 0.7392 0.6557 0.6442 -0.0070 0.0856 -0.1443 675 SER A O 4801 C CB . SER A 652 ? 0.6870 0.5567 0.6203 0.0015 0.1081 -0.1137 675 SER A CB 4802 O OG . SER A 652 ? 0.6892 0.5457 0.6440 0.0019 0.1150 -0.1021 675 SER A OG 4803 N N . SER A 653 ? 0.7468 0.6371 0.6793 -0.0249 0.1015 -0.1492 676 SER A N 4804 C CA . SER A 653 ? 0.8359 0.7331 0.7551 -0.0332 0.1008 -0.1686 676 SER A CA 4805 C C . SER A 653 ? 0.8594 0.7507 0.7536 -0.0245 0.1032 -0.1726 676 SER A C 4806 O O . SER A 653 ? 0.8645 0.7355 0.7557 -0.0170 0.1126 -0.1634 676 SER A O 4807 C CB . SER A 653 ? 0.8614 0.7397 0.7917 -0.0470 0.1118 -0.1775 676 SER A CB 4808 O OG . SER A 653 ? 0.8783 0.7323 0.7998 -0.0444 0.1240 -0.1801 676 SER A OG 4809 N N . SER A 654 ? 0.8563 0.7670 0.7320 -0.0252 0.0945 -0.1863 677 SER A N 4810 C CA . SER A 654 ? 0.8810 0.7854 0.7292 -0.0176 0.0966 -0.1913 677 SER A CA 4811 C C . SER A 654 ? 0.9515 0.8290 0.7991 -0.0241 0.1124 -0.1982 677 SER A C 4812 O O . SER A 654 ? 1.0184 0.8871 0.8823 -0.0365 0.1189 -0.2052 677 SER A O 4813 C CB . SER A 654 ? 0.8855 0.8173 0.7147 -0.0179 0.0834 -0.2069 677 SER A CB 4814 O OG . SER A 654 ? 0.8840 0.8282 0.7254 -0.0340 0.0820 -0.2237 677 SER A OG 4815 N N . GLY A 655 ? 0.9153 0.7778 0.7433 -0.0156 0.1196 -0.1960 678 GLY A N 4816 C CA . GLY A 655 ? 0.8693 0.7057 0.6973 -0.0196 0.1357 -0.2010 678 GLY A CA 4817 C C . GLY A 655 ? 0.7956 0.6121 0.6356 -0.0115 0.1466 -0.1841 678 GLY A C 4818 O O . GLY A 655 ? 0.8296 0.6511 0.6690 -0.0018 0.1424 -0.1696 678 GLY A O 4819 N N . PRO A 656 ? 0.7929 0.5869 0.6444 -0.0152 0.1611 -0.1865 679 PRO A N 4820 C CA . PRO A 656 ? 0.7209 0.4987 0.5851 -0.0071 0.1721 -0.1724 679 PRO A CA 4821 C C . PRO A 656 ? 0.6657 0.4507 0.5529 -0.0032 0.1662 -0.1555 679 PRO A C 4822 O O . PRO A 656 ? 0.6146 0.3954 0.5068 0.0052 0.1706 -0.1429 679 PRO A O 4823 C CB . PRO A 656 ? 0.7285 0.4839 0.6043 -0.0126 0.1865 -0.1803 679 PRO A CB 4824 C CG . PRO A 656 ? 0.7381 0.4960 0.5972 -0.0221 0.1844 -0.1986 679 PRO A CG 4825 C CD . PRO A 656 ? 0.7644 0.5466 0.6160 -0.0265 0.1688 -0.2033 679 PRO A CD 4826 N N . GLU A 657 ? 0.6478 0.4440 0.5489 -0.0100 0.1570 -0.1556 680 GLU A N 4827 C CA . GLU A 657 ? 0.6529 0.4558 0.5745 -0.0066 0.1514 -0.1400 680 GLU A CA 4828 C C . GLU A 657 ? 0.6352 0.4504 0.5464 0.0033 0.1443 -0.1292 680 GLU A C 4829 O O . GLU A 657 ? 0.6228 0.4350 0.5468 0.0094 0.1465 -0.1153 680 GLU A O 4830 C CB . GLU A 657 ? 0.7090 0.5242 0.6419 -0.0161 0.1422 -0.1434 680 GLU A CB 4831 C CG . GLU A 657 ? 0.7422 0.5504 0.7007 -0.0174 0.1437 -0.1319 680 GLU A CG 4832 C CD . GLU A 657 ? 0.7711 0.5870 0.7376 -0.0293 0.1379 -0.1379 680 GLU A CD 4833 O OE1 . GLU A 657 ? 0.8116 0.6099 0.7864 -0.0372 0.1458 -0.1428 680 GLU A OE1 4834 O OE2 . GLU A 657 ? 0.7997 0.6388 0.7634 -0.0308 0.1260 -0.1382 680 GLU A OE2 4835 N N . GLN A 658 ? 0.6622 0.4904 0.5490 0.0053 0.1360 -0.1356 681 GLN A N 4836 C CA . GLN A 658 ? 0.6917 0.5294 0.5660 0.0153 0.1286 -0.1252 681 GLN A CA 4837 C C . GLN A 658 ? 0.5880 0.4092 0.4549 0.0231 0.1398 -0.1163 681 GLN A C 4838 O O . GLN A 658 ? 0.5685 0.3915 0.4347 0.0299 0.1376 -0.1039 681 GLN A O 4839 C CB . GLN A 658 ? 0.7759 0.6296 0.6232 0.0177 0.1173 -0.1345 681 GLN A CB 4840 C CG . GLN A 658 ? 0.8632 0.7414 0.7182 0.0168 0.1018 -0.1339 681 GLN A CG 4841 C CD . GLN A 658 ? 0.9452 0.8409 0.7733 0.0243 0.0894 -0.1394 681 GLN A CD 4842 O OE1 . GLN A 658 ? 1.0437 0.9608 0.8715 0.0195 0.0791 -0.1513 681 GLN A OE1 4843 N NE2 . GLN A 658 ? 0.8887 0.7755 0.6937 0.0362 0.0904 -0.1309 681 GLN A NE2 4844 N N . TYR A 659 ? 0.6158 0.4207 0.4772 0.0215 0.1529 -0.1232 682 TYR A N 4845 C CA . TYR A 659 ? 0.5655 0.3559 0.4228 0.0276 0.1655 -0.1158 682 TYR A CA 4846 C C . TYR A 659 ? 0.5075 0.2961 0.3949 0.0291 0.1695 -0.1028 682 TYR A C 4847 O O . TYR A 659 ? 0.5455 0.3295 0.4313 0.0343 0.1755 -0.0936 682 TYR A O 4848 C CB . TYR A 659 ? 0.6046 0.3792 0.4530 0.0252 0.1794 -0.1269 682 TYR A CB 4849 C CG . TYR A 659 ? 0.6070 0.3826 0.4203 0.0254 0.1764 -0.1385 682 TYR A CG 4850 C CD1 . TYR A 659 ? 0.6203 0.3989 0.4049 0.0329 0.1711 -0.1335 682 TYR A CD1 4851 C CD2 . TYR A 659 ? 0.6582 0.4310 0.4655 0.0184 0.1786 -0.1546 682 TYR A CD2 4852 C CE1 . TYR A 659 ? 0.6401 0.4203 0.3906 0.0346 0.1671 -0.1438 682 TYR A CE1 4853 C CE2 . TYR A 659 ? 0.7134 0.4891 0.4883 0.0186 0.1749 -0.1660 682 TYR A CE2 4854 C CZ . TYR A 659 ? 0.6662 0.4464 0.4127 0.0272 0.1686 -0.1604 682 TYR A CZ 4855 O OH . TYR A 659 ? 0.7482 0.5316 0.4608 0.0286 0.1641 -0.1718 682 TYR A OH 4856 N N . ASP A 660 ? 0.4992 0.2912 0.4131 0.0244 0.1664 -0.1019 683 ASP A N 4857 C CA . ASP A 660 ? 0.5216 0.3131 0.4637 0.0266 0.1690 -0.0899 683 ASP A CA 4858 C C . ASP A 660 ? 0.5342 0.3373 0.4773 0.0307 0.1602 -0.0776 683 ASP A C 4859 O O . ASP A 660 ? 0.4906 0.2934 0.4513 0.0336 0.1640 -0.0677 683 ASP A O 4860 C CB . ASP A 660 ? 0.4665 0.2579 0.4320 0.0214 0.1660 -0.0905 683 ASP A CB 4861 C CG . ASP A 660 ? 0.5219 0.2992 0.4875 0.0167 0.1747 -0.1027 683 ASP A CG 4862 O OD1 . ASP A 660 ? 0.5109 0.2780 0.4627 0.0183 0.1849 -0.1103 683 ASP A OD1 4863 O OD2 . ASP A 660 ? 0.4979 0.2730 0.4759 0.0111 0.1717 -0.1048 683 ASP A OD2 4864 N N . ALA A 661 ? 0.5137 0.3281 0.4393 0.0311 0.1483 -0.0786 684 ALA A N 4865 C CA . ALA A 661 ? 0.4347 0.2582 0.3587 0.0358 0.1403 -0.0676 684 ALA A CA 4866 C C . ALA A 661 ? 0.4786 0.2945 0.3774 0.0423 0.1450 -0.0640 684 ALA A C 4867 O O . ALA A 661 ? 0.4550 0.2714 0.3555 0.0459 0.1442 -0.0536 684 ALA A O 4868 C CB . ALA A 661 ? 0.4320 0.2725 0.3516 0.0342 0.1250 -0.0701 684 ALA A CB 4869 N N . LEU A 662 ? 0.5105 0.3170 0.3851 0.0433 0.1512 -0.0724 685 LEU A N 4870 C CA . LEU A 662 ? 0.5487 0.3458 0.3925 0.0497 0.1550 -0.0691 685 LEU A CA 4871 C C . LEU A 662 ? 0.5551 0.3370 0.4025 0.0499 0.1719 -0.0643 685 LEU A C 4872 O O . LEU A 662 ? 0.5246 0.2932 0.3495 0.0511 0.1825 -0.0687 685 LEU A O 4873 C CB . LEU A 662 ? 0.5187 0.3144 0.3315 0.0511 0.1523 -0.0806 685 LEU A CB 4874 C CG . LEU A 662 ? 0.5579 0.3729 0.3663 0.0518 0.1344 -0.0851 685 LEU A CG 4875 C CD1 . LEU A 662 ? 0.5368 0.3554 0.3208 0.0513 0.1305 -0.0993 685 LEU A CD1 4876 C CD2 . LEU A 662 ? 0.5203 0.3401 0.3161 0.0603 0.1251 -0.0744 685 LEU A CD2 4877 N N . ILE A 663 ? 0.4761 0.2611 0.3517 0.0485 0.1748 -0.0557 686 ILE A N 4878 C CA . ILE A 663 ? 0.4795 0.2552 0.3652 0.0477 0.1907 -0.0523 686 ILE A CA 4879 C C . ILE A 663 ? 0.4935 0.2709 0.3848 0.0490 0.1901 -0.0406 686 ILE A C 4880 O O . ILE A 663 ? 0.4971 0.2849 0.3966 0.0499 0.1777 -0.0348 686 ILE A O 4881 C CB . ILE A 663 ? 0.5152 0.2938 0.4345 0.0443 0.1973 -0.0562 686 ILE A CB 4882 C CG1 . ILE A 663 ? 0.4922 0.2841 0.4379 0.0429 0.1848 -0.0523 686 ILE A CG1 4883 C CG2 . ILE A 663 ? 0.4890 0.2595 0.3978 0.0427 0.2030 -0.0690 686 ILE A CG2 4884 C CD1 . ILE A 663 ? 0.4332 0.2250 0.4094 0.0414 0.1906 -0.0553 686 ILE A CD1 4885 N N . THR A 664 ? 0.5102 0.2767 0.3959 0.0483 0.2048 -0.0381 687 THR A N 4886 C CA . THR A 664 ? 0.4799 0.2443 0.3665 0.0479 0.2075 -0.0285 687 THR A CA 4887 C C . THR A 664 ? 0.4843 0.2640 0.4103 0.0451 0.2041 -0.0235 687 THR A C 4888 O O . THR A 664 ? 0.5296 0.3095 0.4593 0.0437 0.2057 -0.0164 687 THR A O 4889 C CB . THR A 664 ? 0.5302 0.2787 0.4017 0.0457 0.2266 -0.0288 687 THR A CB 4890 O OG1 . THR A 664 ? 0.4960 0.2514 0.3949 0.0406 0.2352 -0.0333 687 THR A OG1 4891 C CG2 . THR A 664 ? 0.5338 0.2660 0.3616 0.0489 0.2277 -0.0313 687 THR A CG2 4892 N N . SER A 665 ? 0.4791 0.2701 0.4329 0.0443 0.1999 -0.0269 688 SER A N 4893 C CA . SER A 665 ? 0.3992 0.2049 0.3868 0.0431 0.1938 -0.0216 688 SER A CA 4894 C C . SER A 665 ? 0.3896 0.2045 0.3780 0.0441 0.1763 -0.0180 688 SER A C 4895 O O . SER A 665 ? 0.3637 0.1902 0.3770 0.0432 0.1699 -0.0131 688 SER A O 4896 C CB . SER A 665 ? 0.3930 0.2039 0.4098 0.0429 0.1994 -0.0264 688 SER A CB 4897 O OG . SER A 665 ? 0.4002 0.2069 0.4097 0.0436 0.1954 -0.0333 688 SER A OG 4898 N N . ASN A 666 ? 0.3931 0.2042 0.3550 0.0461 0.1687 -0.0210 689 ASN A N 4899 C CA . ASN A 666 ? 0.4203 0.2418 0.3812 0.0468 0.1529 -0.0196 689 ASN A CA 4900 C C . ASN A 666 ? 0.4979 0.3175 0.4336 0.0508 0.1463 -0.0148 689 ASN A C 4901 O O . ASN A 666 ? 0.4359 0.2631 0.3618 0.0530 0.1340 -0.0161 689 ASN A O 4902 C CB . ASN A 666 ? 0.4395 0.2622 0.3940 0.0456 0.1486 -0.0292 689 ASN A CB 4903 C CG . ASN A 666 ? 0.4429 0.2790 0.4005 0.0446 0.1333 -0.0295 689 ASN A CG 4904 O OD1 . ASN A 666 ? 0.4462 0.2913 0.4218 0.0436 0.1271 -0.0226 689 ASN A OD1 4905 N ND2 . ASN A 666 ? 0.3853 0.2240 0.3255 0.0443 0.1276 -0.0381 689 ASN A ND2 4906 N N . ILE A 667 ? 0.5257 0.3344 0.4501 0.0519 0.1551 -0.0098 690 ILE A N 4907 C CA . ILE A 667 ? 0.4514 0.2528 0.3478 0.0570 0.1507 -0.0048 690 ILE A CA 4908 C C . ILE A 667 ? 0.4260 0.2273 0.3338 0.0551 0.1524 0.0037 690 ILE A C 4909 O O . ILE A 667 ? 0.4140 0.2161 0.3433 0.0498 0.1621 0.0051 690 ILE A O 4910 C CB . ILE A 667 ? 0.5456 0.3273 0.4057 0.0606 0.1601 -0.0067 690 ILE A CB 4911 C CG1 . ILE A 667 ? 0.5228 0.2925 0.3882 0.0556 0.1786 -0.0061 690 ILE A CG1 4912 C CG2 . ILE A 667 ? 0.5611 0.3439 0.4048 0.0632 0.1561 -0.0158 690 ILE A CG2 4913 C CD1 . ILE A 667 ? 0.5374 0.2855 0.3648 0.0585 0.1890 -0.0068 690 ILE A CD1 4914 N N . VAL A 668 ? 0.3981 0.1986 0.2903 0.0598 0.1433 0.0085 691 VAL A N 4915 C CA . VAL A 668 ? 0.3905 0.1892 0.2883 0.0585 0.1436 0.0159 691 VAL A CA 4916 C C . VAL A 668 ? 0.4222 0.2024 0.2816 0.0658 0.1438 0.0198 691 VAL A C 4917 O O . VAL A 668 ? 0.4581 0.2375 0.2942 0.0736 0.1356 0.0173 691 VAL A O 4918 C CB . VAL A 668 ? 0.4215 0.2399 0.3434 0.0575 0.1301 0.0181 691 VAL A CB 4919 C CG1 . VAL A 668 ? 0.4474 0.2801 0.4041 0.0514 0.1308 0.0155 691 VAL A CG1 4920 C CG2 . VAL A 668 ? 0.3599 0.1873 0.2693 0.0636 0.1159 0.0155 691 VAL A CG2 4921 N N . PRO A 669 ? 0.4470 0.2115 0.2978 0.0637 0.1533 0.0254 692 PRO A N 4922 C CA . PRO A 669 ? 0.5088 0.2506 0.3196 0.0717 0.1544 0.0302 692 PRO A CA 4923 C C . PRO A 669 ? 0.5086 0.2591 0.3160 0.0793 0.1385 0.0333 692 PRO A C 4924 O O . PRO A 669 ? 0.4815 0.2431 0.3118 0.0752 0.1343 0.0358 692 PRO A O 4925 C CB . PRO A 669 ? 0.4729 0.1961 0.2815 0.0643 0.1705 0.0346 692 PRO A CB 4926 C CG . PRO A 669 ? 0.4821 0.2284 0.3370 0.0543 0.1696 0.0334 692 PRO A CG 4927 C CD . PRO A 669 ? 0.4526 0.2203 0.3303 0.0542 0.1624 0.0275 692 PRO A CD 4928 N N . MET A 670 ? 0.4743 0.2217 0.2535 0.0907 0.1294 0.0323 693 MET A N 4929 C CA . MET A 670 ? 0.5011 0.2586 0.2760 0.0995 0.1143 0.0340 693 MET A CA 4930 C C . MET A 670 ? 0.5035 0.2367 0.2357 0.1123 0.1144 0.0391 693 MET A C 4931 O O . MET A 670 ? 0.5588 0.2773 0.2606 0.1188 0.1178 0.0382 693 MET A O 4932 C CB . MET A 670 ? 0.5462 0.3301 0.3316 0.1028 0.0998 0.0266 693 MET A CB 4933 C CG . MET A 670 ? 0.4905 0.2965 0.3168 0.0914 0.0982 0.0229 693 MET A CG 4934 S SD . MET A 670 ? 0.4292 0.2651 0.2677 0.0936 0.0814 0.0144 693 MET A SD 4935 C CE . MET A 670 ? 0.3672 0.2189 0.2499 0.0798 0.0835 0.0133 693 MET A CE 4936 N N . TYR A 671 ? 0.5054 0.2328 0.2337 0.1166 0.1108 0.0446 694 TYR A N 4937 C CA . TYR A 671 ? 0.5671 0.2760 0.2562 0.1325 0.1061 0.0489 694 TYR A CA 4938 C C . TYR A 671 ? 0.5674 0.2954 0.2463 0.1445 0.0908 0.0429 694 TYR A C 4939 O O . TYR A 671 ? 0.6216 0.3813 0.3290 0.1409 0.0801 0.0362 694 TYR A O 4940 C CB . TYR A 671 ? 0.5548 0.2615 0.2476 0.1359 0.1016 0.0537 694 TYR A CB 4941 C CG . TYR A 671 ? 0.5927 0.2764 0.2876 0.1253 0.1171 0.0591 694 TYR A CG 4942 C CD1 . TYR A 671 ? 0.6861 0.3393 0.3524 0.1245 0.1310 0.0613 694 TYR A CD1 4943 C CD2 . TYR A 671 ? 0.5451 0.2434 0.2746 0.1138 0.1173 0.0589 694 TYR A CD2 4944 C CE1 . TYR A 671 ? 0.6332 0.2760 0.3092 0.1114 0.1440 0.0608 694 TYR A CE1 4945 C CE2 . TYR A 671 ? 0.5078 0.1938 0.2440 0.1017 0.1302 0.0601 694 TYR A CE2 4946 C CZ . TYR A 671 ? 0.6419 0.3023 0.3526 0.1000 0.1434 0.0601 694 TYR A CZ 4947 O OH . TYR A 671 ? 0.6225 0.2747 0.3421 0.0870 0.1557 0.0587 694 TYR A OH 4948 N N . LYS A 672 ? 0.6579 0.3664 0.2950 0.1584 0.0901 0.0450 695 LYS A N 4949 C CA . LYS A 672 ? 0.6969 0.4251 0.3222 0.1708 0.0748 0.0383 695 LYS A CA 4950 C C . LYS A 672 ? 0.6023 0.3590 0.2453 0.1777 0.0582 0.0352 695 LYS A C 4951 O O . LYS A 672 ? 0.5955 0.3842 0.2554 0.1777 0.0463 0.0261 695 LYS A O 4952 C CB . LYS A 672 ? 0.6254 0.3256 0.1993 0.1869 0.0761 0.0425 695 LYS A CB 4953 C CG . LYS A 672 ? 0.8460 0.5200 0.4061 0.1777 0.0937 0.0447 695 LYS A CG 4954 C CD . LYS A 672 ? 0.8576 0.5148 0.3869 0.1879 0.0915 0.0448 695 LYS A CD 4955 C CE . LYS A 672 ? 0.9130 0.5577 0.4371 0.1765 0.1058 0.0430 695 LYS A CE 4956 N NZ . LYS A 672 ? 1.0294 0.6397 0.5244 0.1820 0.1129 0.0491 695 LYS A NZ 4957 N N . GLU A 673 ? 0.6030 0.3492 0.2441 0.1822 0.0581 0.0419 696 GLU A N 4958 C CA . GLU A 673 ? 0.5392 0.3124 0.1963 0.1894 0.0432 0.0386 696 GLU A CA 4959 C C . GLU A 673 ? 0.5678 0.3716 0.2719 0.1731 0.0406 0.0332 696 GLU A C 4960 O O . GLU A 673 ? 0.4860 0.3205 0.2078 0.1759 0.0276 0.0269 696 GLU A O 4961 C CB . GLU A 673 ? 0.5846 0.3354 0.2244 0.1993 0.0447 0.0469 696 GLU A CB 4962 C CG . GLU A 673 ? 0.7760 0.5078 0.3834 0.2131 0.0446 0.0461 696 GLU A CG 4963 C CD . GLU A 673 ? 0.9095 0.6660 0.5093 0.2279 0.0285 0.0387 696 GLU A CD 4964 O OE1 . GLU A 673 ? 0.9279 0.7140 0.5435 0.2347 0.0152 0.0332 696 GLU A OE1 4965 O OE2 . GLU A 673 ? 1.0028 0.7515 0.5834 0.2312 0.0295 0.0374 696 GLU A OE2 4966 N N . PHE A 674 ? 0.5375 0.3333 0.2617 0.1565 0.0530 0.0356 697 PHE A N 4967 C CA . PHE A 674 ? 0.4931 0.3158 0.2590 0.1420 0.0505 0.0309 697 PHE A CA 4968 C C . PHE A 674 ? 0.4829 0.3252 0.2590 0.1374 0.0467 0.0220 697 PHE A C 4969 O O . PHE A 674 ? 0.4593 0.3295 0.2620 0.1315 0.0387 0.0157 697 PHE A O 4970 C CB . PHE A 674 ? 0.4195 0.2299 0.2045 0.1274 0.0637 0.0359 697 PHE A CB 4971 C CG . PHE A 674 ? 0.4406 0.2760 0.2656 0.1142 0.0611 0.0323 697 PHE A CG 4972 C CD1 . PHE A 674 ? 0.4146 0.2583 0.2554 0.1053 0.0645 0.0276 697 PHE A CD1 4973 C CD2 . PHE A 674 ? 0.4166 0.2659 0.2618 0.1113 0.0553 0.0337 697 PHE A CD2 4974 C CE1 . PHE A 674 ? 0.4495 0.3128 0.3241 0.0944 0.0623 0.0251 697 PHE A CE1 4975 C CE2 . PHE A 674 ? 0.3759 0.2462 0.2551 0.0996 0.0530 0.0312 697 PHE A CE2 4976 C CZ . PHE A 674 ? 0.3442 0.2204 0.2372 0.0917 0.0564 0.0273 697 PHE A CZ 4977 N N . ALA A 675 ? 0.4478 0.2742 0.2029 0.1387 0.0536 0.0211 698 ALA A N 4978 C CA . ALA A 675 ? 0.4440 0.2868 0.2051 0.1348 0.0504 0.0116 698 ALA A CA 4979 C C . ALA A 675 ? 0.4839 0.3545 0.2441 0.1434 0.0340 0.0034 698 ALA A C 4980 O O . ALA A 675 ? 0.4538 0.3484 0.2342 0.1359 0.0288 -0.0059 698 ALA A O 4981 C CB . ALA A 675 ? 0.5849 0.4049 0.3156 0.1382 0.0592 0.0117 698 ALA A CB 4982 N N . ARG A 676 ? 0.5058 0.3731 0.2419 0.1594 0.0263 0.0061 699 ARG A N 4983 C CA . ARG A 676 ? 0.5147 0.4116 0.2507 0.1692 0.0102 -0.0023 699 ARG A CA 4984 C C . ARG A 676 ? 0.5506 0.4771 0.3250 0.1591 0.0042 -0.0071 699 ARG A C 4985 O O . ARG A 676 ? 0.4747 0.4304 0.2649 0.1546 -0.0039 -0.0180 699 ARG A O 4986 C CB . ARG A 676 ? 0.5157 0.4010 0.2203 0.1896 0.0039 0.0031 699 ARG A CB 4987 C CG . ARG A 676 ? 0.5945 0.5126 0.3049 0.2006 -0.0126 -0.0046 699 ARG A CG 4988 C CD . ARG A 676 ? 0.6573 0.5599 0.3378 0.2219 -0.0175 0.0025 699 ARG A CD 4989 N NE . ARG A 676 ? 0.6399 0.5753 0.3207 0.2366 -0.0344 -0.0061 699 ARG A NE 4990 C CZ . ARG A 676 ? 0.6616 0.5957 0.3398 0.2497 -0.0384 -0.0042 699 ARG A CZ 4991 N NH1 . ARG A 676 ? 0.6692 0.5686 0.3353 0.2517 -0.0280 0.0062 699 ARG A NH1 4992 N NH2 . ARG A 676 ? 0.6094 0.5774 0.2996 0.2586 -0.0509 -0.0148 699 ARG A NH2 4993 N N . LEU A 677 ? 0.4962 0.4150 0.2851 0.1544 0.0088 0.0007 700 LEU A N 4994 C CA . LEU A 677 ? 0.4519 0.3944 0.2762 0.1429 0.0056 -0.0024 700 LEU A CA 4995 C C . LEU A 677 ? 0.4173 0.3677 0.2654 0.1261 0.0107 -0.0073 700 LEU A C 4996 O O . LEU A 677 ? 0.3768 0.3532 0.2450 0.1191 0.0045 -0.0159 700 LEU A O 4997 C CB . LEU A 677 ? 0.4642 0.3923 0.2963 0.1403 0.0113 0.0075 700 LEU A CB 4998 C CG . LEU A 677 ? 0.4960 0.4440 0.3605 0.1297 0.0086 0.0066 700 LEU A CG 4999 C CD1 . LEU A 677 ? 0.5005 0.4362 0.3613 0.1344 0.0102 0.0145 700 LEU A CD1 5000 C CD2 . LEU A 677 ? 0.3778 0.3263 0.2684 0.1120 0.0162 0.0070 700 LEU A CD2 5001 N N . TRP A 678 ? 0.3892 0.3165 0.2355 0.1193 0.0228 -0.0022 701 TRP A N 5002 C CA . TRP A 678 ? 0.4135 0.3441 0.2820 0.1047 0.0290 -0.0057 701 TRP A CA 5003 C C . TRP A 678 ? 0.4480 0.3945 0.3147 0.1029 0.0240 -0.0176 701 TRP A C 5004 O O . TRP A 678 ? 0.3481 0.3107 0.2377 0.0919 0.0226 -0.0240 701 TRP A O 5005 C CB . TRP A 678 ? 0.4286 0.3319 0.2908 0.1011 0.0428 0.0009 701 TRP A CB 5006 C CG . TRP A 678 ? 0.4397 0.3429 0.3247 0.0880 0.0505 -0.0013 701 TRP A CG 5007 C CD1 . TRP A 678 ? 0.4597 0.3568 0.3399 0.0848 0.0565 -0.0068 701 TRP A CD1 5008 C CD2 . TRP A 678 ? 0.4379 0.3461 0.3527 0.0778 0.0533 0.0022 701 TRP A CD2 5009 N NE1 . TRP A 678 ? 0.5036 0.4007 0.4096 0.0737 0.0632 -0.0068 701 TRP A NE1 5010 C CE2 . TRP A 678 ? 0.4542 0.3583 0.3813 0.0697 0.0608 -0.0010 701 TRP A CE2 5011 C CE3 . TRP A 678 ? 0.4323 0.3476 0.3634 0.0755 0.0500 0.0078 701 TRP A CE3 5012 C CZ2 . TRP A 678 ? 0.4823 0.3891 0.4370 0.0606 0.0644 0.0017 701 TRP A CZ2 5013 C CZ3 . TRP A 678 ? 0.4938 0.4124 0.4515 0.0655 0.0534 0.0103 701 TRP A CZ3 5014 C CH2 . TRP A 678 ? 0.4506 0.3649 0.4197 0.0589 0.0602 0.0075 701 TRP A CH2 5015 N N . ASN A 679 ? 0.4108 0.3514 0.2490 0.1131 0.0219 -0.0209 702 ASN A N 5016 C CA . ASN A 679 ? 0.4810 0.4368 0.3161 0.1109 0.0173 -0.0334 702 ASN A CA 5017 C C . ASN A 679 ? 0.5208 0.5105 0.3703 0.1103 0.0044 -0.0432 702 ASN A C 5018 O O . ASN A 679 ? 0.4494 0.4556 0.3156 0.0991 0.0032 -0.0535 702 ASN A O 5019 C CB . ASN A 679 ? 0.4854 0.4286 0.2839 0.1236 0.0165 -0.0346 702 ASN A CB 5020 C CG . ASN A 679 ? 0.5951 0.5060 0.3798 0.1216 0.0311 -0.0272 702 ASN A CG 5021 O OD1 . ASN A 679 ? 0.6178 0.5205 0.4237 0.1094 0.0414 -0.0245 702 ASN A OD1 5022 N ND2 . ASN A 679 ? 0.5956 0.4881 0.3442 0.1338 0.0325 -0.0240 702 ASN A ND2 5023 N N . TYR A 680 ? 0.4501 0.4502 0.2938 0.1218 -0.0045 -0.0407 703 TYR A N 5024 C CA . TYR A 680 ? 0.4846 0.5194 0.3446 0.1208 -0.0159 -0.0505 703 TYR A CA 5025 C C . TYR A 680 ? 0.3919 0.4361 0.2855 0.1035 -0.0119 -0.0512 703 TYR A C 5026 O O . TYR A 680 ? 0.3794 0.4483 0.2898 0.0942 -0.0161 -0.0625 703 TYR A O 5027 C CB . TYR A 680 ? 0.3694 0.4117 0.2186 0.1372 -0.0249 -0.0467 703 TYR A CB 5028 C CG . TYR A 680 ? 0.4519 0.5336 0.3179 0.1374 -0.0367 -0.0584 703 TYR A CG 5029 C CD1 . TYR A 680 ? 0.4548 0.5622 0.3128 0.1433 -0.0470 -0.0720 703 TYR A CD1 5030 C CD2 . TYR A 680 ? 0.4359 0.5309 0.3264 0.1306 -0.0372 -0.0569 703 TYR A CD2 5031 C CE1 . TYR A 680 ? 0.4693 0.6162 0.3452 0.1423 -0.0572 -0.0843 703 TYR A CE1 5032 C CE2 . TYR A 680 ? 0.4246 0.5569 0.3313 0.1297 -0.0467 -0.0685 703 TYR A CE2 5033 C CZ . TYR A 680 ? 0.4469 0.6057 0.3475 0.1351 -0.0563 -0.0825 703 TYR A CZ 5034 O OH . TYR A 680 ? 0.5411 0.7397 0.4597 0.1333 -0.0651 -0.0954 703 TYR A OH 5035 N N . PHE A 681 ? 0.4186 0.4435 0.3216 0.0988 -0.0036 -0.0395 704 PHE A N 5036 C CA . PHE A 681 ? 0.3885 0.4195 0.3204 0.0838 0.0001 -0.0387 704 PHE A CA 5037 C C . PHE A 681 ? 0.4352 0.4649 0.3776 0.0704 0.0058 -0.0458 704 PHE A C 5038 O O . PHE A 681 ? 0.3459 0.3930 0.3063 0.0594 0.0040 -0.0534 704 PHE A O 5039 C CB . PHE A 681 ? 0.3827 0.3927 0.3205 0.0823 0.0075 -0.0252 704 PHE A CB 5040 C CG . PHE A 681 ? 0.3617 0.3708 0.3253 0.0676 0.0132 -0.0227 704 PHE A CG 5041 C CD1 . PHE A 681 ? 0.3706 0.3994 0.3526 0.0600 0.0088 -0.0261 704 PHE A CD1 5042 C CD2 . PHE A 681 ? 0.3607 0.3489 0.3292 0.0620 0.0232 -0.0167 704 PHE A CD2 5043 C CE1 . PHE A 681 ? 0.3234 0.3485 0.3258 0.0474 0.0140 -0.0227 704 PHE A CE1 5044 C CE2 . PHE A 681 ? 0.3540 0.3406 0.3448 0.0506 0.0275 -0.0137 704 PHE A CE2 5045 C CZ . PHE A 681 ? 0.2551 0.2589 0.2615 0.0435 0.0228 -0.0162 704 PHE A CZ 5046 N N . HIS A 682 ? 0.4078 0.4158 0.3386 0.0708 0.0137 -0.0437 705 HIS A N 5047 C CA . HIS A 682 ? 0.4408 0.4447 0.3832 0.0581 0.0204 -0.0496 705 HIS A CA 5048 C C . HIS A 682 ? 0.3541 0.3744 0.2889 0.0562 0.0153 -0.0648 705 HIS A C 5049 O O . HIS A 682 ? 0.3908 0.4157 0.3396 0.0434 0.0183 -0.0727 705 HIS A O 5050 C CB . HIS A 682 ? 0.4592 0.4346 0.3983 0.0571 0.0326 -0.0419 705 HIS A CB 5051 C CG . HIS A 682 ? 0.5119 0.4730 0.4245 0.0657 0.0359 -0.0431 705 HIS A CG 5052 N ND1 . HIS A 682 ? 0.5635 0.5311 0.4615 0.0666 0.0331 -0.0546 705 HIS A ND1 5053 C CD2 . HIS A 682 ? 0.5424 0.4813 0.4408 0.0720 0.0435 -0.0342 705 HIS A CD2 5054 C CE1 . HIS A 682 ? 0.6555 0.6051 0.5293 0.0743 0.0382 -0.0521 705 HIS A CE1 5055 N NE2 . HIS A 682 ? 0.6293 0.5607 0.5028 0.0774 0.0450 -0.0397 705 HIS A NE2 5056 N N . SER A 683 ? 0.3601 0.3905 0.2734 0.0684 0.0070 -0.0696 706 SER A N 5057 C CA . SER A 683 ? 0.4757 0.5261 0.3829 0.0663 0.0008 -0.0855 706 SER A CA 5058 C C . SER A 683 ? 0.4558 0.5405 0.3798 0.0612 -0.0088 -0.0960 706 SER A C 5059 O O . SER A 683 ? 0.4544 0.5561 0.3849 0.0513 -0.0106 -0.1105 706 SER A O 5060 C CB . SER A 683 ? 0.4374 0.4863 0.3130 0.0824 -0.0052 -0.0873 706 SER A CB 5061 O OG . SER A 683 ? 0.5490 0.6140 0.4179 0.0960 -0.0162 -0.0850 706 SER A OG 5062 N N . THR A 684 ? 0.4063 0.5023 0.3371 0.0673 -0.0145 -0.0902 707 THR A N 5063 C CA . THR A 684 ? 0.4367 0.5680 0.3816 0.0647 -0.0238 -0.1008 707 THR A CA 5064 C C . THR A 684 ? 0.4234 0.5585 0.3931 0.0539 -0.0203 -0.0957 707 THR A C 5065 O O . THR A 684 ? 0.3544 0.5089 0.3420 0.0402 -0.0203 -0.1059 707 THR A O 5066 C CB . THR A 684 ? 0.4732 0.6210 0.4016 0.0846 -0.0360 -0.1013 707 THR A CB 5067 O OG1 . THR A 684 ? 0.5252 0.6663 0.4267 0.0959 -0.0392 -0.1045 707 THR A OG1 5068 C CG2 . THR A 684 ? 0.3932 0.5827 0.3368 0.0829 -0.0462 -0.1151 707 THR A CG2 5069 N N . LEU A 685 ? 0.4109 0.5278 0.3810 0.0592 -0.0169 -0.0807 708 LEU A N 5070 C CA . LEU A 685 ? 0.3981 0.5201 0.3893 0.0501 -0.0146 -0.0760 708 LEU A CA 5071 C C . LEU A 685 ? 0.3926 0.5001 0.3990 0.0326 -0.0046 -0.0747 708 LEU A C 5072 O O . LEU A 685 ? 0.4166 0.5369 0.4400 0.0198 -0.0034 -0.0798 708 LEU A O 5073 C CB . LEU A 685 ? 0.3824 0.4887 0.3688 0.0601 -0.0139 -0.0611 708 LEU A CB 5074 C CG . LEU A 685 ? 0.4251 0.5415 0.3956 0.0784 -0.0230 -0.0607 708 LEU A CG 5075 C CD1 . LEU A 685 ? 0.4601 0.5622 0.4302 0.0843 -0.0210 -0.0475 708 LEU A CD1 5076 C CD2 . LEU A 685 ? 0.4408 0.5947 0.4194 0.0793 -0.0327 -0.0745 708 LEU A CD2 5077 N N . LEU A 686 ? 0.3521 0.4319 0.3519 0.0325 0.0032 -0.0678 709 LEU A N 5078 C CA . LEU A 686 ? 0.3656 0.4278 0.3786 0.0192 0.0129 -0.0647 709 LEU A CA 5079 C C . LEU A 686 ? 0.3988 0.4716 0.4201 0.0050 0.0147 -0.0785 709 LEU A C 5080 O O . LEU A 686 ? 0.3886 0.4590 0.4249 -0.0076 0.0194 -0.0777 709 LEU A O 5081 C CB . LEU A 686 ? 0.3091 0.3430 0.3125 0.0240 0.0205 -0.0567 709 LEU A CB 5082 C CG . LEU A 686 ? 0.4010 0.4131 0.4175 0.0167 0.0299 -0.0476 709 LEU A CG 5083 C CD1 . LEU A 686 ? 0.3466 0.3620 0.3763 0.0149 0.0283 -0.0383 709 LEU A CD1 5084 C CD2 . LEU A 686 ? 0.4393 0.4290 0.4461 0.0243 0.0364 -0.0402 709 LEU A CD2 5085 N N . PRO A 687 ? 0.3961 0.4792 0.4072 0.0054 0.0118 -0.0916 710 PRO A N 5086 C CA . PRO A 687 ? 0.4840 0.5796 0.5042 -0.0102 0.0137 -0.1066 710 PRO A CA 5087 C C . PRO A 687 ? 0.4103 0.5328 0.4457 -0.0187 0.0095 -0.1131 710 PRO A C 5088 O O . PRO A 687 ? 0.4386 0.5613 0.4858 -0.0354 0.0155 -0.1199 710 PRO A O 5089 C CB . PRO A 687 ? 0.4652 0.5729 0.4694 -0.0048 0.0084 -0.1198 710 PRO A CB 5090 C CG . PRO A 687 ? 0.4441 0.5298 0.4304 0.0096 0.0098 -0.1091 710 PRO A CG 5091 C CD . PRO A 687 ? 0.3771 0.4579 0.3666 0.0187 0.0080 -0.0937 710 PRO A CD 5092 N N . LYS A 688 ? 0.4340 0.5784 0.4685 -0.0080 0.0002 -0.1119 711 LYS A N 5093 C CA . LYS A 688 ? 0.4570 0.6284 0.5069 -0.0157 -0.0030 -0.1181 711 LYS A CA 5094 C C . LYS A 688 ? 0.4112 0.5658 0.4734 -0.0249 0.0047 -0.1062 711 LYS A C 5095 O O . LYS A 688 ? 0.3558 0.5183 0.4309 -0.0407 0.0091 -0.1122 711 LYS A O 5096 C CB . LYS A 688 ? 0.5415 0.7389 0.5868 0.0004 -0.0146 -0.1192 711 LYS A CB 5097 C CG . LYS A 688 ? 0.6519 0.8755 0.7138 -0.0053 -0.0171 -0.1228 711 LYS A CG 5098 C CD . LYS A 688 ? 0.7232 0.9686 0.7797 0.0136 -0.0281 -0.1221 711 LYS A CD 5099 C CE . LYS A 688 ? 0.7377 1.0142 0.8116 0.0082 -0.0306 -0.1289 711 LYS A CE 5100 N NZ . LYS A 688 ? 0.7439 1.0055 0.8237 0.0068 -0.0258 -0.1146 711 LYS A NZ 5101 N N . TYR A 689 ? 0.3270 0.4586 0.3845 -0.0154 0.0064 -0.0895 712 TYR A N 5102 C CA . TYR A 689 ? 0.3799 0.4930 0.4471 -0.0228 0.0133 -0.0773 712 TYR A CA 5103 C C . TYR A 689 ? 0.3389 0.4334 0.4116 -0.0382 0.0231 -0.0797 712 TYR A C 5104 O O . TYR A 689 ? 0.3245 0.4163 0.4069 -0.0503 0.0280 -0.0781 712 TYR A O 5105 C CB . TYR A 689 ? 0.4500 0.5404 0.5107 -0.0106 0.0142 -0.0610 712 TYR A CB 5106 C CG . TYR A 689 ? 0.6655 0.7660 0.7243 0.0006 0.0078 -0.0541 712 TYR A CG 5107 C CD1 . TYR A 689 ? 0.8004 0.9120 0.8698 -0.0049 0.0070 -0.0517 712 TYR A CD1 5108 C CD2 . TYR A 689 ? 0.6635 0.7598 0.7082 0.0163 0.0035 -0.0498 712 TYR A CD2 5109 C CE1 . TYR A 689 ? 0.8220 0.9415 0.8891 0.0053 0.0017 -0.0461 712 TYR A CE1 5110 C CE2 . TYR A 689 ? 0.6992 0.8013 0.7408 0.0265 -0.0014 -0.0437 712 TYR A CE2 5111 C CZ . TYR A 689 ? 0.8172 0.9313 0.8705 0.0210 -0.0024 -0.0422 712 TYR A CZ 5112 O OH . TYR A 689 ? 0.8590 0.9781 0.9089 0.0310 -0.0068 -0.0370 712 TYR A OH 5113 N N . ALA A 690 ? 0.3819 0.4615 0.4470 -0.0376 0.0267 -0.0832 713 ALA A N 5114 C CA . ALA A 690 ? 0.3914 0.4488 0.4602 -0.0504 0.0368 -0.0848 713 ALA A CA 5115 C C . ALA A 690 ? 0.3670 0.4395 0.4427 -0.0676 0.0393 -0.0999 713 ALA A C 5116 O O . ALA A 690 ? 0.3955 0.4508 0.4766 -0.0808 0.0481 -0.0987 713 ALA A O 5117 C CB . ALA A 690 ? 0.3889 0.4287 0.4474 -0.0452 0.0403 -0.0867 713 ALA A CB 5118 N N . THR A 691 ? 0.3639 0.4682 0.4389 -0.0677 0.0320 -0.1146 714 THR A N 5119 C CA . THR A 691 ? 0.3893 0.5132 0.4730 -0.0853 0.0343 -0.1309 714 THR A CA 5120 C C . THR A 691 ? 0.4172 0.5501 0.5123 -0.0936 0.0360 -0.1268 714 THR A C 5121 O O . THR A 691 ? 0.4561 0.5827 0.5577 -0.1115 0.0448 -0.1316 714 THR A O 5122 C CB . THR A 691 ? 0.4006 0.5610 0.4822 -0.0816 0.0246 -0.1482 714 THR A CB 5123 O OG1 . THR A 691 ? 0.4339 0.5842 0.5024 -0.0752 0.0238 -0.1526 714 THR A OG1 5124 C CG2 . THR A 691 ? 0.4477 0.6322 0.5409 -0.1013 0.0274 -0.1668 714 THR A CG2 5125 N N . GLU A 692 ? 0.3432 0.4893 0.4395 -0.0810 0.0286 -0.1182 715 GLU A N 5126 C CA . GLU A 692 ? 0.4071 0.5613 0.5128 -0.0876 0.0303 -0.1136 715 GLU A CA 5127 C C . GLU A 692 ? 0.3473 0.4664 0.4532 -0.0955 0.0402 -0.0994 715 GLU A C 5128 O O . GLU A 692 ? 0.4090 0.5277 0.5207 -0.1099 0.0466 -0.1005 715 GLU A O 5129 C CB . GLU A 692 ? 0.3798 0.5498 0.4844 -0.0707 0.0207 -0.1060 715 GLU A CB 5130 C CG . GLU A 692 ? 0.4434 0.6481 0.5468 -0.0605 0.0101 -0.1188 715 GLU A CG 5131 C CD . GLU A 692 ? 0.5344 0.7486 0.6341 -0.0423 0.0016 -0.1100 715 GLU A CD 5132 O OE1 . GLU A 692 ? 0.4465 0.6394 0.5444 -0.0380 0.0041 -0.0942 715 GLU A OE1 5133 O OE2 . GLU A 692 ? 0.6459 0.8894 0.7445 -0.0322 -0.0076 -0.1196 715 GLU A OE2 5134 N N . ARG A 693 ? 0.3001 0.3898 0.3991 -0.0859 0.0419 -0.0862 716 ARG A N 5135 C CA . ARG A 693 ? 0.3742 0.4331 0.4731 -0.0884 0.0488 -0.0708 716 ARG A CA 5136 C C . ARG A 693 ? 0.3567 0.3855 0.4527 -0.0979 0.0590 -0.0716 716 ARG A C 5137 O O . ARG A 693 ? 0.3634 0.3643 0.4582 -0.0978 0.0645 -0.0586 716 ARG A O 5138 C CB . ARG A 693 ? 0.3047 0.3530 0.4003 -0.0712 0.0440 -0.0553 716 ARG A CB 5139 C CG . ARG A 693 ? 0.4162 0.4883 0.5135 -0.0624 0.0354 -0.0526 716 ARG A CG 5140 C CD . ARG A 693 ? 0.5246 0.5842 0.6186 -0.0480 0.0321 -0.0377 716 ARG A CD 5141 N NE . ARG A 693 ? 0.5903 0.6710 0.6841 -0.0394 0.0244 -0.0367 716 ARG A NE 5142 C CZ . ARG A 693 ? 0.5181 0.5929 0.6115 -0.0319 0.0222 -0.0248 716 ARG A CZ 5143 N NH1 . ARG A 693 ? 0.5974 0.6905 0.6897 -0.0246 0.0159 -0.0255 716 ARG A NH1 5144 N NH2 . ARG A 693 ? 0.4995 0.5510 0.5938 -0.0317 0.0260 -0.0128 716 ARG A NH2 5145 N N . ASN A 694 ? 0.3189 0.3532 0.4134 -0.1057 0.0615 -0.0871 717 ASN A N 5146 C CA . ASN A 694 ? 0.3899 0.3959 0.4808 -0.1160 0.0720 -0.0907 717 ASN A CA 5147 C C . ASN A 694 ? 0.4294 0.4067 0.5151 -0.1030 0.0739 -0.0789 717 ASN A C 5148 O O . ASN A 694 ? 0.4899 0.4362 0.5743 -0.1049 0.0817 -0.0696 717 ASN A O 5149 C CB . ASN A 694 ? 0.4226 0.4117 0.5151 -0.1324 0.0818 -0.0884 717 ASN A CB 5150 C CG . ASN A 694 ? 0.4407 0.4028 0.5285 -0.1454 0.0934 -0.0960 717 ASN A CG 5151 O OD1 . ASN A 694 ? 0.4447 0.4069 0.5295 -0.1447 0.0938 -0.1066 717 ASN A OD1 5152 N ND2 . ASN A 694 ? 0.5367 0.4741 0.6219 -0.1575 0.1034 -0.0909 717 ASN A ND2 5153 N N . GLY A 695 ? 0.4132 0.4012 0.4954 -0.0891 0.0669 -0.0793 718 GLY A N 5154 C CA . GLY A 695 ? 0.3640 0.3300 0.4422 -0.0765 0.0687 -0.0695 718 GLY A CA 5155 C C . GLY A 695 ? 0.3645 0.3312 0.4454 -0.0632 0.0632 -0.0535 718 GLY A C 5156 O O . GLY A 695 ? 0.3237 0.3002 0.4092 -0.0646 0.0598 -0.0476 718 GLY A O 5157 N N . LEU A 696 ? 0.3177 0.2738 0.3953 -0.0507 0.0631 -0.0473 719 LEU A N 5158 C CA . LEU A 696 ? 0.3240 0.2791 0.4043 -0.0388 0.0592 -0.0332 719 LEU A CA 5159 C C . LEU A 696 ? 0.2953 0.2278 0.3763 -0.0309 0.0647 -0.0258 719 LEU A C 5160 O O . LEU A 696 ? 0.3334 0.2596 0.4086 -0.0286 0.0683 -0.0325 719 LEU A O 5161 C CB . LEU A 696 ? 0.3497 0.3262 0.4243 -0.0295 0.0508 -0.0349 719 LEU A CB 5162 C CG . LEU A 696 ? 0.4262 0.4289 0.5018 -0.0325 0.0435 -0.0399 719 LEU A CG 5163 C CD1 . LEU A 696 ? 0.3829 0.4024 0.4493 -0.0205 0.0358 -0.0426 719 LEU A CD1 5164 C CD2 . LEU A 696 ? 0.3175 0.3191 0.4010 -0.0346 0.0427 -0.0288 719 LEU A CD2 5165 N N . ASN A 697 ? 0.2597 0.1820 0.3480 -0.0263 0.0653 -0.0127 720 ASN A N 5166 C CA . ASN A 697 ? 0.3400 0.2496 0.4313 -0.0161 0.0684 -0.0057 720 ASN A CA 5167 C C . ASN A 697 ? 0.3721 0.2956 0.4612 -0.0072 0.0627 -0.0016 720 ASN A C 5168 O O . ASN A 697 ? 0.3732 0.3096 0.4638 -0.0068 0.0564 0.0031 720 ASN A O 5169 C CB . ASN A 697 ? 0.3417 0.2352 0.4426 -0.0142 0.0713 0.0056 720 ASN A CB 5170 C CG . ASN A 697 ? 0.3494 0.2355 0.4565 -0.0033 0.0740 0.0119 720 ASN A CG 5171 O OD1 . ASN A 697 ? 0.3258 0.2195 0.4388 0.0028 0.0699 0.0202 720 ASN A OD1 5172 N ND2 . ASN A 697 ? 0.2992 0.1716 0.4051 -0.0015 0.0814 0.0066 720 ASN A ND2 5173 N N . VAL A 698 ? 0.3105 0.2299 0.3946 -0.0004 0.0657 -0.0036 721 VAL A N 5174 C CA . VAL A 698 ? 0.2636 0.1917 0.3415 0.0076 0.0623 -0.0009 721 VAL A CA 5175 C C . VAL A 698 ? 0.3563 0.2734 0.4408 0.0141 0.0677 0.0063 721 VAL A C 5176 O O . VAL A 698 ? 0.3850 0.2899 0.4701 0.0154 0.0751 0.0033 721 VAL A O 5177 C CB . VAL A 698 ? 0.2899 0.2234 0.3518 0.0096 0.0615 -0.0109 721 VAL A CB 5178 C CG1 . VAL A 698 ? 0.2459 0.1847 0.2981 0.0185 0.0584 -0.0069 721 VAL A CG1 5179 C CG2 . VAL A 698 ? 0.2710 0.2182 0.3289 0.0024 0.0566 -0.0208 721 VAL A CG2 5180 N N . ILE A 699 ? 0.4069 0.3294 0.4966 0.0180 0.0646 0.0147 722 ILE A N 5181 C CA . ILE A 699 ? 0.3007 0.2173 0.3960 0.0237 0.0696 0.0196 722 ILE A CA 5182 C C . ILE A 699 ? 0.2877 0.2108 0.3730 0.0276 0.0670 0.0214 722 ILE A C 5183 O O . ILE A 699 ? 0.2437 0.1767 0.3270 0.0270 0.0600 0.0240 722 ILE A O 5184 C CB . ILE A 699 ? 0.3680 0.2829 0.4814 0.0244 0.0697 0.0279 722 ILE A CB 5185 C CG1 . ILE A 699 ? 0.3705 0.2825 0.4924 0.0296 0.0759 0.0306 722 ILE A CG1 5186 C CG2 . ILE A 699 ? 0.3210 0.2466 0.4379 0.0225 0.0616 0.0340 722 ILE A CG2 5187 C CD1 . ILE A 699 ? 0.3345 0.2408 0.4734 0.0319 0.0791 0.0340 722 ILE A CD1 5188 N N . SER A 700 ? 0.2608 0.1766 0.3383 0.0315 0.0735 0.0197 723 SER A N 5189 C CA . SER A 700 ? 0.2755 0.1916 0.3385 0.0355 0.0730 0.0209 723 SER A CA 5190 C C . SER A 700 ? 0.2916 0.1989 0.3571 0.0376 0.0824 0.0235 723 SER A C 5191 O O . SER A 700 ? 0.3137 0.2159 0.3903 0.0370 0.0894 0.0224 723 SER A O 5192 C CB . SER A 700 ? 0.3620 0.2773 0.4029 0.0381 0.0713 0.0138 723 SER A CB 5193 O OG . SER A 700 ? 0.4361 0.3406 0.4705 0.0388 0.0794 0.0088 723 SER A OG 5194 N N . GLY A 701 ? 0.3237 0.2289 0.3788 0.0399 0.0831 0.0265 724 GLY A N 5195 C CA . GLY A 701 ? 0.3287 0.2257 0.3852 0.0401 0.0931 0.0282 724 GLY A CA 5196 C C . GLY A 701 ? 0.2611 0.1543 0.3060 0.0411 0.0936 0.0319 724 GLY A C 5197 O O . GLY A 701 ? 0.2704 0.1672 0.3061 0.0430 0.0858 0.0337 724 GLY A O 5198 N N . PRO A 702 ? 0.2598 0.1449 0.3054 0.0396 0.1041 0.0327 725 PRO A N 5199 C CA . PRO A 702 ? 0.3176 0.1946 0.3504 0.0392 0.1073 0.0359 725 PRO A CA 5200 C C . PRO A 702 ? 0.2621 0.1499 0.3150 0.0346 0.1043 0.0395 725 PRO A C 5201 O O . PRO A 702 ? 0.2499 0.1503 0.3282 0.0316 0.1034 0.0398 725 PRO A O 5202 C CB . PRO A 702 ? 0.2800 0.1429 0.3049 0.0376 0.1220 0.0339 725 PRO A CB 5203 C CG . PRO A 702 ? 0.2711 0.1438 0.3214 0.0353 0.1255 0.0308 725 PRO A CG 5204 C CD . PRO A 702 ? 0.2598 0.1414 0.3159 0.0378 0.1148 0.0298 725 PRO A CD 5205 N N . ILE A 703 ? 0.3024 0.1843 0.3423 0.0347 0.1032 0.0421 726 ILE A N 5206 C CA . ILE A 703 ? 0.3186 0.2076 0.3728 0.0294 0.1025 0.0445 726 ILE A CA 5207 C C . ILE A 703 ? 0.2919 0.1637 0.3303 0.0265 0.1136 0.0446 726 ILE A C 5208 O O . ILE A 703 ? 0.2890 0.1427 0.2987 0.0314 0.1159 0.0454 726 ILE A O 5209 C CB . ILE A 703 ? 0.3103 0.2086 0.3643 0.0310 0.0900 0.0470 726 ILE A CB 5210 C CG1 . ILE A 703 ? 0.2098 0.1259 0.2849 0.0305 0.0810 0.0475 726 ILE A CG1 5211 C CG2 . ILE A 703 ? 0.2281 0.1266 0.2856 0.0261 0.0910 0.0487 726 ILE A CG2 5212 C CD1 . ILE A 703 ? 0.2002 0.1247 0.2706 0.0327 0.0690 0.0490 726 ILE A CD1 5213 N N . PHE A 704 ? 0.2579 0.1353 0.3144 0.0187 0.1203 0.0436 727 PHE A N 5214 C CA . PHE A 704 ? 0.2898 0.1517 0.3344 0.0130 0.1317 0.0431 727 PHE A CA 5215 C C . PHE A 704 ? 0.2819 0.1548 0.3401 0.0074 0.1264 0.0436 727 PHE A C 5216 O O . PHE A 704 ? 0.2962 0.1893 0.3830 0.0018 0.1249 0.0417 727 PHE A O 5217 C CB . PHE A 704 ? 0.2859 0.1459 0.3404 0.0068 0.1465 0.0391 727 PHE A CB 5218 C CG . PHE A 704 ? 0.3206 0.1740 0.3665 0.0121 0.1508 0.0376 727 PHE A CG 5219 C CD1 . PHE A 704 ? 0.3224 0.1931 0.3901 0.0149 0.1454 0.0360 727 PHE A CD1 5220 C CD2 . PHE A 704 ? 0.3209 0.1491 0.3343 0.0149 0.1597 0.0381 727 PHE A CD2 5221 C CE1 . PHE A 704 ? 0.3082 0.1716 0.3668 0.0194 0.1496 0.0336 727 PHE A CE1 5222 C CE2 . PHE A 704 ? 0.3534 0.1760 0.3572 0.0197 0.1633 0.0360 727 PHE A CE2 5223 C CZ . PHE A 704 ? 0.3118 0.1525 0.3389 0.0215 0.1583 0.0333 727 PHE A CZ 5224 N N . ASP A 705 ? 0.2894 0.1506 0.3278 0.0097 0.1228 0.0460 728 ASP A N 5225 C CA . ASP A 705 ? 0.2659 0.1347 0.3143 0.0034 0.1195 0.0456 728 ASP A CA 5226 C C . ASP A 705 ? 0.3299 0.1725 0.3533 0.0001 0.1297 0.0455 728 ASP A C 5227 O O . ASP A 705 ? 0.3422 0.1756 0.3497 0.0035 0.1248 0.0473 728 ASP A O 5228 C CB . ASP A 705 ? 0.2476 0.1304 0.3004 0.0084 0.1040 0.0481 728 ASP A CB 5229 C CG . ASP A 705 ? 0.3090 0.2042 0.3768 0.0010 0.1003 0.0469 728 ASP A CG 5230 O OD1 . ASP A 705 ? 0.3357 0.2363 0.4189 -0.0082 0.1080 0.0434 728 ASP A OD1 5231 O OD2 . ASP A 705 ? 0.2385 0.1388 0.3026 0.0038 0.0905 0.0485 728 ASP A OD2 5232 N N . TYR A 706 ? 0.3363 0.1662 0.3566 -0.0072 0.1450 0.0428 729 TYR A N 5233 C CA . TYR A 706 ? 0.3760 0.1821 0.3686 -0.0091 0.1531 0.0408 729 TYR A CA 5234 C C . TYR A 706 ? 0.3784 0.1877 0.3783 -0.0182 0.1530 0.0376 729 TYR A C 5235 O O . TYR A 706 ? 0.4078 0.1961 0.3825 -0.0176 0.1566 0.0369 729 TYR A O 5236 C CB . TYR A 706 ? 0.4036 0.1976 0.3875 -0.0136 0.1677 0.0367 729 TYR A CB 5237 C CG . TYR A 706 ? 0.3833 0.1599 0.3406 -0.0028 0.1695 0.0401 729 TYR A CG 5238 C CD1 . TYR A 706 ? 0.4433 0.1940 0.3633 0.0049 0.1709 0.0422 729 TYR A CD1 5239 C CD2 . TYR A 706 ? 0.3712 0.1577 0.3406 0.0004 0.1692 0.0410 729 TYR A CD2 5240 C CE1 . TYR A 706 ? 0.4554 0.1917 0.3501 0.0155 0.1713 0.0450 729 TYR A CE1 5241 C CE2 . TYR A 706 ? 0.4402 0.2114 0.3849 0.0098 0.1702 0.0434 729 TYR A CE2 5242 C CZ . TYR A 706 ? 0.4136 0.1606 0.3208 0.0173 0.1710 0.0455 729 TYR A CZ 5243 O OH . TYR A 706 ? 0.4636 0.1963 0.3454 0.0270 0.1719 0.0476 729 TYR A OH 5244 N N . ASN A 707 ? 0.4099 0.2449 0.4427 -0.0263 0.1488 0.0355 730 ASN A N 5245 C CA . ASN A 707 ? 0.4350 0.2740 0.4734 -0.0346 0.1471 0.0323 730 ASN A CA 5246 C C . ASN A 707 ? 0.3779 0.2239 0.4165 -0.0281 0.1330 0.0368 730 ASN A C 5247 O O . ASN A 707 ? 0.3990 0.2543 0.4465 -0.0344 0.1289 0.0340 730 ASN A O 5248 C CB . ASN A 707 ? 0.3797 0.2456 0.4527 -0.0473 0.1495 0.0256 730 ASN A CB 5249 C CG . ASN A 707 ? 0.2958 0.1921 0.3996 -0.0435 0.1395 0.0277 730 ASN A CG 5250 O OD1 . ASN A 707 ? 0.2876 0.1849 0.3847 -0.0323 0.1289 0.0331 730 ASN A OD1 5251 N ND2 . ASN A 707 ? 0.2740 0.1969 0.4096 -0.0511 0.1405 0.0222 730 ASN A ND2 5252 N N . TYR A 708 ? 0.2983 0.1436 0.3266 -0.0151 0.1240 0.0418 731 TYR A N 5253 C CA . TYR A 708 ? 0.3238 0.1782 0.3491 -0.0066 0.1095 0.0447 731 TYR A CA 5254 C C . TYR A 708 ? 0.3130 0.1935 0.3624 -0.0125 0.0996 0.0428 731 TYR A C 5255 O O . TYR A 708 ? 0.2599 0.1397 0.3015 -0.0106 0.0931 0.0431 731 TYR A O 5256 C CB . TYR A 708 ? 0.4998 0.3267 0.4923 0.0003 0.1115 0.0466 731 TYR A CB 5257 C CG . TYR A 708 ? 0.5851 0.3907 0.5660 -0.0089 0.1234 0.0436 731 TYR A CG 5258 C CD1 . TYR A 708 ? 0.7168 0.5321 0.7088 -0.0170 0.1202 0.0400 731 TYR A CD1 5259 C CD2 . TYR A 708 ? 0.6667 0.4497 0.6254 -0.0090 0.1345 0.0417 731 TYR A CD2 5260 C CE1 . TYR A 708 ? 0.8207 0.6171 0.8024 -0.0267 0.1312 0.0357 731 TYR A CE1 5261 C CE2 . TYR A 708 ? 0.7702 0.5381 0.7184 -0.0175 0.1437 0.0369 731 TYR A CE2 5262 C CZ . TYR A 708 ? 0.8808 0.6556 0.8408 -0.0264 0.1419 0.0336 731 TYR A CZ 5263 O OH . TYR A 708 ? 0.8928 0.6528 0.8428 -0.0356 0.1510 0.0278 731 TYR A OH 5264 N N . ASP A 709 ? 0.2534 0.1573 0.3315 -0.0187 0.0981 0.0407 732 ASP A N 5265 C CA . ASP A 709 ? 0.2577 0.1877 0.3580 -0.0229 0.0875 0.0395 732 ASP A CA 5266 C C . ASP A 709 ? 0.2830 0.2312 0.3939 -0.0150 0.0744 0.0440 732 ASP A C 5267 O O . ASP A 709 ? 0.2750 0.2442 0.4030 -0.0173 0.0651 0.0441 732 ASP A O 5268 C CB . ASP A 709 ? 0.3188 0.2659 0.4444 -0.0337 0.0923 0.0341 732 ASP A CB 5269 C CG . ASP A 709 ? 0.2899 0.2457 0.4315 -0.0320 0.0964 0.0340 732 ASP A CG 5270 O OD1 . ASP A 709 ? 0.2834 0.2339 0.4183 -0.0228 0.0941 0.0384 732 ASP A OD1 5271 O OD2 . ASP A 709 ? 0.2338 0.2033 0.3959 -0.0402 0.1021 0.0286 732 ASP A OD2 5272 N N . GLY A 710 ? 0.2215 0.1613 0.3214 -0.0062 0.0737 0.0473 733 GLY A N 5273 C CA . GLY A 710 ? 0.2405 0.1944 0.3490 -0.0003 0.0633 0.0508 733 GLY A CA 5274 C C . GLY A 710 ? 0.2553 0.2236 0.3865 -0.0007 0.0630 0.0512 733 GLY A C 5275 O O . GLY A 710 ? 0.2462 0.2245 0.3849 0.0035 0.0549 0.0542 733 GLY A O 5276 N N . HIS A 711 ? 0.2351 0.2043 0.3775 -0.0058 0.0720 0.0478 734 HIS A N 5277 C CA . HIS A 711 ? 0.2110 0.1945 0.3763 -0.0051 0.0727 0.0472 734 HIS A CA 5278 C C . HIS A 711 ? 0.1843 0.1547 0.3448 -0.0047 0.0853 0.0448 734 HIS A C 5279 O O . HIS A 711 ? 0.2001 0.1530 0.3440 -0.0083 0.0953 0.0426 734 HIS A O 5280 C CB . HIS A 711 ? 0.2222 0.2265 0.4123 -0.0117 0.0720 0.0436 734 HIS A CB 5281 C CG . HIS A 711 ? 0.4262 0.4444 0.6211 -0.0138 0.0608 0.0448 734 HIS A CG 5282 N ND1 . HIS A 711 ? 0.4001 0.4360 0.6094 -0.0094 0.0492 0.0485 734 HIS A ND1 5283 C CD2 . HIS A 711 ? 0.4524 0.4683 0.6388 -0.0199 0.0599 0.0426 734 HIS A CD2 5284 C CE1 . HIS A 711 ? 0.4695 0.5142 0.6779 -0.0127 0.0413 0.0487 734 HIS A CE1 5285 N NE2 . HIS A 711 ? 0.5167 0.5503 0.7122 -0.0193 0.0476 0.0447 734 HIS A NE2 5286 N N . PHE A 712 ? 0.2530 0.2316 0.4285 -0.0009 0.0857 0.0449 735 PHE A N 5287 C CA . PHE A 712 ? 0.2753 0.2465 0.4522 -0.0021 0.0987 0.0412 735 PHE A CA 5288 C C . PHE A 712 ? 0.2733 0.2508 0.4620 -0.0117 0.1079 0.0356 735 PHE A C 5289 O O . PHE A 712 ? 0.2524 0.2472 0.4567 -0.0164 0.1023 0.0341 735 PHE A O 5290 C CB . PHE A 712 ? 0.2267 0.2082 0.4216 0.0037 0.0975 0.0413 735 PHE A CB 5291 C CG . PHE A 712 ? 0.2275 0.2346 0.4533 0.0034 0.0921 0.0402 735 PHE A CG 5292 C CD1 . PHE A 712 ? 0.2510 0.2700 0.4850 0.0079 0.0785 0.0449 735 PHE A CD1 5293 C CD2 . PHE A 712 ? 0.2157 0.2351 0.4617 -0.0006 0.1008 0.0343 735 PHE A CD2 5294 C CE1 . PHE A 712 ? 0.2615 0.3031 0.5215 0.0097 0.0726 0.0445 735 PHE A CE1 5295 C CE2 . PHE A 712 ? 0.2276 0.2731 0.5029 0.0010 0.0947 0.0328 735 PHE A CE2 5296 C CZ . PHE A 712 ? 0.2114 0.2675 0.4927 0.0070 0.0800 0.0383 735 PHE A CZ 5297 N N . ASP A 713 ? 0.2119 0.1760 0.3930 -0.0154 0.1225 0.0320 736 ASP A N 5298 C CA . ASP A 713 ? 0.2224 0.1889 0.4116 -0.0265 0.1344 0.0257 736 ASP A CA 5299 C C . ASP A 713 ? 0.2551 0.2272 0.4591 -0.0281 0.1465 0.0207 736 ASP A C 5300 O O . ASP A 713 ? 0.2296 0.1940 0.4276 -0.0206 0.1482 0.0226 736 ASP A O 5301 C CB . ASP A 713 ? 0.2505 0.1877 0.4080 -0.0315 0.1438 0.0261 736 ASP A CB 5302 C CG . ASP A 713 ? 0.3330 0.2619 0.4727 -0.0276 0.1327 0.0309 736 ASP A CG 5303 O OD1 . ASP A 713 ? 0.3792 0.3276 0.5350 -0.0294 0.1220 0.0307 736 ASP A OD1 5304 O OD2 . ASP A 713 ? 0.4611 0.3650 0.5705 -0.0223 0.1346 0.0346 736 ASP A OD2 5305 N N . PRO A 714 ? 0.2531 0.2389 0.4761 -0.0380 0.1553 0.0132 737 PRO A N 5306 C CA . PRO A 714 ? 0.3418 0.3300 0.5723 -0.0390 0.1661 0.0068 737 PRO A CA 5307 C C . PRO A 714 ? 0.3248 0.2796 0.5217 -0.0383 0.1784 0.0085 737 PRO A C 5308 O O . PRO A 714 ? 0.2905 0.2208 0.4577 -0.0396 0.1800 0.0120 737 PRO A O 5309 C CB . PRO A 714 ? 0.3174 0.3207 0.5611 -0.0502 0.1696 -0.0027 737 PRO A CB 5310 C CG . PRO A 714 ? 0.2887 0.3106 0.5457 -0.0519 0.1562 -0.0013 737 PRO A CG 5311 C CD . PRO A 714 ? 0.2318 0.2313 0.4642 -0.0473 0.1516 0.0081 737 PRO A CD 5312 N N . TYR A 715 ? 0.3070 0.2603 0.5071 -0.0348 0.1863 0.0060 738 TYR A N 5313 C CA . TYR A 715 ? 0.3015 0.2235 0.4681 -0.0332 0.1972 0.0078 738 TYR A CA 5314 C C . TYR A 715 ? 0.3212 0.2229 0.4644 -0.0424 0.2078 0.0035 738 TYR A C 5315 O O . TYR A 715 ? 0.3533 0.2252 0.4611 -0.0398 0.2128 0.0073 738 TYR A O 5316 C CB . TYR A 715 ? 0.2956 0.2209 0.4709 -0.0281 0.2039 0.0051 738 TYR A CB 5317 C CG . TYR A 715 ? 0.3185 0.2564 0.5090 -0.0175 0.1935 0.0104 738 TYR A CG 5318 C CD1 . TYR A 715 ? 0.3525 0.2750 0.5183 -0.0103 0.1822 0.0172 738 TYR A CD1 5319 C CD2 . TYR A 715 ? 0.3093 0.2729 0.5329 -0.0129 0.1888 0.0071 738 TYR A CD2 5320 C CE1 . TYR A 715 ? 0.3818 0.3131 0.5554 -0.0007 0.1682 0.0206 738 TYR A CE1 5321 C CE2 . TYR A 715 ? 0.2703 0.2400 0.5005 -0.0019 0.1751 0.0116 738 TYR A CE2 5322 C CZ . TYR A 715 ? 0.2996 0.2523 0.5039 0.0030 0.1653 0.0181 738 TYR A CZ 5323 O OH . TYR A 715 ? 0.3576 0.3138 0.5656 0.0118 0.1531 0.0218 738 TYR A OH 5324 N N . ASP A 716 ? 0.3276 0.2449 0.4886 -0.0524 0.2102 -0.0040 739 ASP A N 5325 C CA . ASP A 716 ? 0.3516 0.2497 0.4918 -0.0624 0.2212 -0.0089 739 ASP A CA 5326 C C . ASP A 716 ? 0.3615 0.2349 0.4707 -0.0612 0.2176 -0.0030 739 ASP A C 5327 O O . ASP A 716 ? 0.3902 0.2377 0.4718 -0.0657 0.2271 -0.0046 739 ASP A O 5328 C CB . ASP A 716 ? 0.3510 0.2754 0.5202 -0.0744 0.2236 -0.0193 739 ASP A CB 5329 C CG . ASP A 716 ? 0.3925 0.3438 0.5855 -0.0769 0.2095 -0.0196 739 ASP A CG 5330 O OD1 . ASP A 716 ? 0.3439 0.2886 0.5274 -0.0699 0.1997 -0.0113 739 ASP A OD1 5331 O OD2 . ASP A 716 ? 0.3236 0.3022 0.5427 -0.0855 0.2077 -0.0278 739 ASP A OD2 5332 N N . THR A 717 ? 0.3817 0.2610 0.4934 -0.0541 0.2043 0.0042 740 THR A N 5333 C CA . THR A 717 ? 0.3812 0.2435 0.4697 -0.0524 0.1983 0.0092 740 THR A CA 5334 C C . THR A 717 ? 0.3746 0.2055 0.4244 -0.0424 0.1996 0.0161 740 THR A C 5335 O O . THR A 717 ? 0.3771 0.1883 0.4011 -0.0405 0.1978 0.0189 740 THR A O 5336 C CB . THR A 717 ? 0.3983 0.2835 0.5088 -0.0493 0.1829 0.0133 740 THR A CB 5337 O OG1 . THR A 717 ? 0.4734 0.3896 0.6188 -0.0573 0.1805 0.0066 740 THR A OG1 5338 C CG2 . THR A 717 ? 0.3871 0.2572 0.4763 -0.0482 0.1765 0.0174 740 THR A CG2 5339 N N . ILE A 718 ? 0.3910 0.2176 0.4360 -0.0355 0.2024 0.0183 741 ILE A N 5340 C CA . ILE A 718 ? 0.4247 0.2247 0.4333 -0.0252 0.2022 0.0243 741 ILE A CA 5341 C C . ILE A 718 ? 0.4832 0.2537 0.4582 -0.0276 0.2133 0.0222 741 ILE A C 5342 O O . ILE A 718 ? 0.4349 0.2008 0.4112 -0.0354 0.2260 0.0161 741 ILE A O 5343 C CB . ILE A 718 ? 0.4838 0.2869 0.4962 -0.0191 0.2045 0.0255 741 ILE A CB 5344 C CG1 . ILE A 718 ? 0.3568 0.1845 0.3978 -0.0150 0.1924 0.0288 741 ILE A CG1 5345 C CG2 . ILE A 718 ? 0.3992 0.1746 0.3719 -0.0095 0.2062 0.0299 741 ILE A CG2 5346 C CD1 . ILE A 718 ? 0.3351 0.1726 0.3904 -0.0117 0.1956 0.0272 741 ILE A CD1 5347 N N . ASP A 719 ? 0.4487 0.1987 0.3933 -0.0206 0.2086 0.0269 742 ASP A N 5348 C CA . ASP A 719 ? 0.5425 0.2629 0.4545 -0.0221 0.2194 0.0252 742 ASP A CA 5349 C C . ASP A 719 ? 0.4948 0.1893 0.3681 -0.0094 0.2202 0.0302 742 ASP A C 5350 O O . ASP A 719 ? 0.5910 0.2581 0.4332 -0.0082 0.2282 0.0299 742 ASP A O 5351 C CB . ASP A 719 ? 0.4877 0.2001 0.3917 -0.0258 0.2174 0.0246 742 ASP A CB 5352 C CG . ASP A 719 ? 0.5846 0.3225 0.5248 -0.0391 0.2159 0.0189 742 ASP A CG 5353 O OD1 . ASP A 719 ? 0.4615 0.2090 0.4208 -0.0521 0.2257 0.0109 742 ASP A OD1 5354 O OD2 . ASP A 719 ? 0.4784 0.2257 0.4248 -0.0355 0.2036 0.0225 742 ASP A OD2 5355 N N . GLN A 720 ? 0.5211 0.2227 0.3945 0.0001 0.2127 0.0344 743 GLN A N 5356 C CA . GLN A 720 ? 0.5205 0.1986 0.3567 0.0117 0.2137 0.0381 743 GLN A CA 5357 C C . GLN A 720 ? 0.5013 0.1852 0.3433 0.0138 0.2168 0.0378 743 GLN A C 5358 O O . GLN A 720 ? 0.4704 0.1782 0.3421 0.0124 0.2110 0.0379 743 GLN A O 5359 C CB . GLN A 720 ? 0.5716 0.2463 0.3893 0.0251 0.1992 0.0440 743 GLN A CB 5360 C CG . GLN A 720 ? 0.7807 0.4440 0.5844 0.0260 0.1969 0.0447 743 GLN A CG 5361 C CD . GLN A 720 ? 0.9654 0.6201 0.7427 0.0418 0.1850 0.0497 743 GLN A CD 5362 O OE1 . GLN A 720 ? 0.9359 0.5948 0.7141 0.0451 0.1762 0.0511 743 GLN A OE1 5363 N NE2 . GLN A 720 ? 1.0247 0.6681 0.7782 0.0523 0.1843 0.0518 743 GLN A NE2 5364 N N . TYR A 721 ? 0.5337 0.1940 0.3461 0.0173 0.2261 0.0374 744 TYR A N 5365 C CA . TYR A 721 ? 0.5356 0.1970 0.3495 0.0179 0.2321 0.0359 744 TYR A CA 5366 C C . TYR A 721 ? 0.5671 0.2028 0.3377 0.0303 0.2311 0.0397 744 TYR A C 5367 O O . TYR A 721 ? 0.6619 0.2755 0.4017 0.0366 0.2300 0.0420 744 TYR A O 5368 C CB . TYR A 721 ? 0.5963 0.2571 0.4242 0.0052 0.2482 0.0287 744 TYR A CB 5369 C CG . TYR A 721 ? 0.5157 0.2053 0.3880 -0.0061 0.2482 0.0241 744 TYR A CG 5370 C CD1 . TYR A 721 ? 0.5153 0.2067 0.3945 -0.0129 0.2478 0.0223 744 TYR A CD1 5371 C CD2 . TYR A 721 ? 0.4875 0.2035 0.3948 -0.0087 0.2474 0.0215 744 TYR A CD2 5372 C CE1 . TYR A 721 ? 0.5636 0.2824 0.4820 -0.0225 0.2463 0.0180 744 TYR A CE1 5373 C CE2 . TYR A 721 ? 0.4610 0.2048 0.4087 -0.0172 0.2457 0.0173 744 TYR A CE2 5374 C CZ . TYR A 721 ? 0.4618 0.2073 0.4146 -0.0242 0.2447 0.0156 744 TYR A CZ 5375 O OH . TYR A 721 ? 0.4580 0.2316 0.4491 -0.0324 0.2417 0.0112 744 TYR A OH 5376 N N . VAL A 722 ? 0.5647 0.2037 0.3330 0.0345 0.2312 0.0399 745 VAL A N 5377 C CA . VAL A 722 ? 0.5978 0.2134 0.3251 0.0453 0.2310 0.0423 745 VAL A CA 5378 C C . VAL A 722 ? 0.7276 0.3165 0.4338 0.0403 0.2448 0.0397 745 VAL A C 5379 O O . VAL A 722 ? 0.6348 0.2280 0.3611 0.0278 0.2572 0.0343 745 VAL A O 5380 C CB . VAL A 722 ? 0.5960 0.2228 0.3270 0.0478 0.2307 0.0408 745 VAL A CB 5381 C CG1 . VAL A 722 ? 0.6263 0.2302 0.3160 0.0570 0.2312 0.0416 745 VAL A CG1 5382 C CG2 . VAL A 722 ? 0.6197 0.2726 0.3695 0.0538 0.2149 0.0421 745 VAL A CG2 5383 N N . ASN A 723 ? 0.7506 0.3126 0.4173 0.0504 0.2423 0.0432 746 ASN A N 5384 C CA . ASN A 723 ? 0.7452 0.2781 0.3887 0.0462 0.2554 0.0415 746 ASN A CA 5385 C C . ASN A 723 ? 0.7870 0.3163 0.4352 0.0367 0.2692 0.0371 746 ASN A C 5386 O O . ASN A 723 ? 0.7208 0.2557 0.3658 0.0406 0.2670 0.0374 746 ASN A O 5387 C CB . ASN A 723 ? 0.9176 0.4221 0.5155 0.0616 0.2495 0.0465 746 ASN A CB 5388 C CG . ASN A 723 ? 1.0719 0.5708 0.6616 0.0674 0.2428 0.0488 746 ASN A CG 5389 O OD1 . ASN A 723 ? 1.0862 0.5965 0.6998 0.0575 0.2456 0.0464 746 ASN A OD1 5390 N ND2 . ASN A 723 ? 1.2920 0.7748 0.8483 0.0839 0.2333 0.0531 746 ASN A ND2 5391 N N . ASN A 724 ? 0.7506 0.2726 0.4077 0.0236 0.2834 0.0322 747 ASN A N 5392 C CA . ASN A 724 ? 0.8015 0.3177 0.4618 0.0134 0.2985 0.0271 747 ASN A CA 5393 C C . ASN A 724 ? 0.7554 0.3046 0.4577 0.0055 0.2998 0.0221 747 ASN A C 5394 O O . ASN A 724 ? 0.8270 0.3760 0.5356 -0.0023 0.3113 0.0171 747 ASN A O 5395 C CB . ASN A 724 ? 0.9042 0.3940 0.5242 0.0219 0.3005 0.0304 747 ASN A CB 5396 C CG . ASN A 724 ? 1.0353 0.5032 0.6426 0.0117 0.3185 0.0263 747 ASN A CG 5397 O OD1 . ASN A 724 ? 1.1108 0.5713 0.7242 0.0015 0.3286 0.0225 747 ASN A OD1 5398 N ND2 . ASN A 724 ? 0.9972 0.4554 0.5867 0.0136 0.3229 0.0264 747 ASN A ND2 5399 N N . THR A 725 ? 0.6739 0.2514 0.4048 0.0077 0.2885 0.0230 748 THR A N 5400 C CA . THR A 725 ? 0.6391 0.2479 0.4104 0.0021 0.2889 0.0185 748 THR A CA 5401 C C . THR A 725 ? 0.6237 0.2593 0.4348 -0.0049 0.2851 0.0161 748 THR A C 5402 O O . THR A 725 ? 0.6238 0.2545 0.4306 -0.0055 0.2814 0.0181 748 THR A O 5403 C CB . THR A 725 ? 0.6621 0.2817 0.4305 0.0127 0.2781 0.0217 748 THR A CB 5404 O OG1 . THR A 725 ? 0.6830 0.3151 0.4588 0.0192 0.2643 0.0265 748 THR A OG1 5405 C CG2 . THR A 725 ? 0.6870 0.2805 0.4105 0.0220 0.2775 0.0250 748 THR A CG2 5406 N N . LYS A 726 ? 0.6152 0.2801 0.4655 -0.0093 0.2849 0.0118 749 LYS A N 5407 C CA . LYS A 726 ? 0.6288 0.3227 0.5184 -0.0137 0.2781 0.0105 749 LYS A CA 5408 C C . LYS A 726 ? 0.5731 0.2864 0.4781 -0.0055 0.2655 0.0145 749 LYS A C 5409 O O . LYS A 726 ? 0.5041 0.2459 0.4481 -0.0084 0.2609 0.0123 749 LYS A O 5410 C CB . LYS A 726 ? 0.6749 0.3899 0.6014 -0.0251 0.2867 0.0019 749 LYS A CB 5411 C CG . LYS A 726 ? 0.5724 0.3038 0.5235 -0.0328 0.2834 -0.0004 749 LYS A CG 5412 C CD . LYS A 726 ? 0.5055 0.2709 0.5034 -0.0398 0.2843 -0.0077 749 LYS A CD 5413 C CE . LYS A 726 ? 0.6020 0.3814 0.6187 -0.0480 0.2811 -0.0103 749 LYS A CE 5414 N NZ . LYS A 726 ? 0.5990 0.4147 0.6616 -0.0535 0.2791 -0.0171 749 LYS A NZ 5415 N N . ILE A 727 ? 0.5790 0.2777 0.4532 0.0052 0.2594 0.0201 750 ILE A N 5416 C CA . ILE A 727 ? 0.4886 0.2033 0.3722 0.0129 0.2475 0.0240 750 ILE A CA 5417 C C . ILE A 727 ? 0.4982 0.2147 0.3827 0.0143 0.2360 0.0299 750 ILE A C 5418 O O . ILE A 727 ? 0.5408 0.2359 0.3921 0.0199 0.2323 0.0340 750 ILE A O 5419 C CB . ILE A 727 ? 0.5034 0.2058 0.3545 0.0242 0.2416 0.0250 750 ILE A CB 5420 C CG1 . ILE A 727 ? 0.5950 0.2943 0.4435 0.0223 0.2538 0.0187 750 ILE A CG1 5421 C CG2 . ILE A 727 ? 0.4737 0.1976 0.3399 0.0323 0.2200 0.0251 750 ILE A CG2 5422 C CD1 . ILE A 727 ? 0.5666 0.2511 0.3780 0.0323 0.2497 0.0186 750 ILE A CD1 5423 N N . PRO A 728 ? 0.4409 0.1847 0.3636 0.0113 0.2262 0.0287 751 PRO A N 5424 C CA . PRO A 728 ? 0.4296 0.1760 0.3546 0.0115 0.2157 0.0332 751 PRO A CA 5425 C C . PRO A 728 ? 0.4698 0.2148 0.3766 0.0238 0.1982 0.0373 751 PRO A C 5426 O O . PRO A 728 ? 0.4151 0.1703 0.3243 0.0304 0.1896 0.0354 751 PRO A O 5427 C CB . PRO A 728 ? 0.3951 0.1737 0.3668 0.0052 0.2102 0.0300 751 PRO A CB 5428 C CG . PRO A 728 ? 0.3815 0.1761 0.3710 0.0094 0.2073 0.0259 751 PRO A CG 5429 C CD . PRO A 728 ? 0.4120 0.1847 0.3735 0.0105 0.2213 0.0238 751 PRO A CD 5430 N N . ILE A 729 ? 0.4959 0.2287 0.3849 0.0267 0.1934 0.0421 752 ILE A N 5431 C CA . ILE A 729 ? 0.4446 0.1776 0.3167 0.0387 0.1771 0.0454 752 ILE A CA 5432 C C . ILE A 729 ? 0.4186 0.1766 0.3202 0.0373 0.1633 0.0457 752 ILE A C 5433 O O . ILE A 729 ? 0.4092 0.1657 0.3179 0.0314 0.1653 0.0473 752 ILE A O 5434 C CB . ILE A 729 ? 0.4971 0.2003 0.3275 0.0457 0.1797 0.0501 752 ILE A CB 5435 C CG1 . ILE A 729 ? 0.4980 0.1776 0.2950 0.0498 0.1902 0.0499 752 ILE A CG1 5436 C CG2 . ILE A 729 ? 0.4775 0.1869 0.2989 0.0578 0.1619 0.0530 752 ILE A CG2 5437 C CD1 . ILE A 729 ? 0.5331 0.1875 0.2931 0.0558 0.1926 0.0511 752 ILE A CD1 5438 N N . PRO A 730 ? 0.3725 0.1520 0.2897 0.0420 0.1497 0.0440 753 PRO A N 5439 C CA . PRO A 730 ? 0.3433 0.1450 0.2859 0.0404 0.1371 0.0448 753 PRO A CA 5440 C C . PRO A 730 ? 0.3982 0.1921 0.3226 0.0461 0.1297 0.0484 753 PRO A C 5441 O O . PRO A 730 ? 0.3724 0.1498 0.2655 0.0555 0.1282 0.0501 753 PRO A O 5442 C CB . PRO A 730 ? 0.3543 0.1752 0.3108 0.0443 0.1265 0.0419 753 PRO A CB 5443 C CG . PRO A 730 ? 0.3879 0.2002 0.3368 0.0443 0.1364 0.0384 753 PRO A CG 5444 C CD . PRO A 730 ? 0.3729 0.1573 0.2864 0.0470 0.1469 0.0406 753 PRO A CD 5445 N N . THR A 731 ? 0.3982 0.2034 0.3415 0.0408 0.1255 0.0494 754 THR A N 5446 C CA . THR A 731 ? 0.3342 0.1358 0.2648 0.0462 0.1173 0.0520 754 THR A CA 5447 C C . THR A 731 ? 0.3170 0.1371 0.2517 0.0540 0.1019 0.0512 754 THR A C 5448 O O . THR A 731 ? 0.3545 0.1696 0.2704 0.0629 0.0952 0.0524 754 THR A O 5449 C CB . THR A 731 ? 0.3221 0.1311 0.2718 0.0372 0.1177 0.0523 754 THR A CB 5450 O OG1 . THR A 731 ? 0.2935 0.1299 0.2780 0.0312 0.1119 0.0505 754 THR A OG1 5451 C CG2 . THR A 731 ? 0.3434 0.1325 0.2861 0.0284 0.1338 0.0520 754 THR A CG2 5452 N N . HIS A 732 ? 0.2950 0.1359 0.2539 0.0507 0.0969 0.0488 755 HIS A N 5453 C CA . HIS A 732 ? 0.3260 0.1857 0.2921 0.0550 0.0840 0.0470 755 HIS A CA 5454 C C . HIS A 732 ? 0.3480 0.2158 0.3250 0.0535 0.0845 0.0436 755 HIS A C 5455 O O . HIS A 732 ? 0.3065 0.1706 0.2933 0.0483 0.0937 0.0430 755 HIS A O 5456 C CB . HIS A 732 ? 0.2547 0.1331 0.2438 0.0502 0.0758 0.0481 755 HIS A CB 5457 C CG . HIS A 732 ? 0.2625 0.1336 0.2434 0.0504 0.0757 0.0505 755 HIS A CG 5458 N ND1 . HIS A 732 ? 0.2685 0.1280 0.2506 0.0439 0.0853 0.0519 755 HIS A ND1 5459 C CD2 . HIS A 732 ? 0.2612 0.1339 0.2313 0.0563 0.0682 0.0509 755 HIS A CD2 5460 C CE1 . HIS A 732 ? 0.2854 0.1378 0.2569 0.0454 0.0837 0.0532 755 HIS A CE1 5461 N NE2 . HIS A 732 ? 0.2706 0.1308 0.2348 0.0535 0.0733 0.0529 755 HIS A NE2 5462 N N . TYR A 733 ? 0.2949 0.1745 0.2705 0.0577 0.0751 0.0406 756 TYR A N 5463 C CA . TYR A 733 ? 0.3360 0.2249 0.3238 0.0552 0.0741 0.0365 756 TYR A CA 5464 C C . TYR A 733 ? 0.2951 0.2035 0.3019 0.0520 0.0642 0.0358 756 TYR A C 5465 O O . TYR A 733 ? 0.2776 0.1941 0.2778 0.0556 0.0559 0.0350 756 TYR A O 5466 C CB . TYR A 733 ? 0.2758 0.1590 0.2412 0.0618 0.0736 0.0318 756 TYR A CB 5467 C CG . TYR A 733 ? 0.2975 0.1608 0.2467 0.0630 0.0854 0.0320 756 TYR A CG 5468 C CD1 . TYR A 733 ? 0.3181 0.1791 0.2818 0.0569 0.0946 0.0307 756 TYR A CD1 5469 C CD2 . TYR A 733 ? 0.3220 0.1677 0.2404 0.0705 0.0883 0.0338 756 TYR A CD2 5470 C CE1 . TYR A 733 ? 0.3168 0.1600 0.2659 0.0570 0.1071 0.0303 756 TYR A CE1 5471 C CE2 . TYR A 733 ? 0.3453 0.1702 0.2463 0.0707 0.1008 0.0345 756 TYR A CE2 5472 C CZ . TYR A 733 ? 0.3416 0.1664 0.2589 0.0632 0.1104 0.0324 756 TYR A CZ 5473 O OH . TYR A 733 ? 0.3868 0.1924 0.2877 0.0624 0.1239 0.0322 756 TYR A OH 5474 N N . PHE A 734 ? 0.2568 0.1720 0.2863 0.0458 0.0655 0.0363 757 PHE A N 5475 C CA . PHE A 734 ? 0.2087 0.1388 0.2538 0.0422 0.0574 0.0365 757 PHE A CA 5476 C C . PHE A 734 ? 0.2379 0.1718 0.2842 0.0409 0.0559 0.0310 757 PHE A C 5477 O O . PHE A 734 ? 0.2311 0.1566 0.2739 0.0415 0.0622 0.0278 757 PHE A O 5478 C CB . PHE A 734 ? 0.1960 0.1311 0.2640 0.0369 0.0583 0.0413 757 PHE A CB 5479 C CG . PHE A 734 ? 0.2618 0.1935 0.3438 0.0349 0.0646 0.0406 757 PHE A CG 5480 C CD1 . PHE A 734 ? 0.3381 0.2732 0.4298 0.0329 0.0623 0.0392 757 PHE A CD1 5481 C CD2 . PHE A 734 ? 0.2875 0.2118 0.3729 0.0350 0.0736 0.0411 757 PHE A CD2 5482 C CE1 . PHE A 734 ? 0.3134 0.2438 0.4175 0.0325 0.0682 0.0387 757 PHE A CE1 5483 C CE2 . PHE A 734 ? 0.2621 0.1850 0.3621 0.0343 0.0797 0.0398 757 PHE A CE2 5484 C CZ . PHE A 734 ? 0.3062 0.2315 0.4151 0.0339 0.0767 0.0388 757 PHE A CZ 5485 N N . VAL A 735 ? 0.2018 0.1481 0.2529 0.0384 0.0483 0.0293 758 VAL A N 5486 C CA . VAL A 735 ? 0.2360 0.1870 0.2904 0.0347 0.0468 0.0235 758 VAL A CA 5487 C C . VAL A 735 ? 0.2596 0.2201 0.3289 0.0285 0.0422 0.0261 758 VAL A C 5488 O O . VAL A 735 ? 0.2623 0.2327 0.3309 0.0285 0.0364 0.0277 758 VAL A O 5489 C CB . VAL A 735 ? 0.2978 0.2560 0.3356 0.0382 0.0422 0.0157 758 VAL A CB 5490 C CG1 . VAL A 735 ? 0.2918 0.2555 0.3341 0.0320 0.0416 0.0079 758 VAL A CG1 5491 C CG2 . VAL A 735 ? 0.3099 0.2567 0.3278 0.0459 0.0461 0.0145 758 VAL A CG2 5492 N N . VAL A 736 ? 0.2688 0.2246 0.3497 0.0236 0.0453 0.0265 759 VAL A N 5493 C CA . VAL A 736 ? 0.2448 0.2053 0.3367 0.0177 0.0421 0.0297 759 VAL A CA 5494 C C . VAL A 736 ? 0.2687 0.2281 0.3598 0.0116 0.0433 0.0228 759 VAL A C 5495 O O . VAL A 736 ? 0.2440 0.1920 0.3369 0.0109 0.0491 0.0203 759 VAL A O 5496 C CB . VAL A 736 ? 0.2714 0.2250 0.3774 0.0180 0.0445 0.0378 759 VAL A CB 5497 C CG1 . VAL A 736 ? 0.2718 0.2274 0.3852 0.0126 0.0411 0.0420 759 VAL A CG1 5498 C CG2 . VAL A 736 ? 0.1756 0.1316 0.2833 0.0222 0.0439 0.0427 759 VAL A CG2 5499 N N . LEU A 737 ? 0.2485 0.2203 0.3371 0.0067 0.0387 0.0186 760 LEU A N 5500 C CA . LEU A 737 ? 0.2322 0.2060 0.3196 -0.0011 0.0400 0.0100 760 LEU A CA 5501 C C . LEU A 737 ? 0.2256 0.1954 0.3212 -0.0093 0.0411 0.0143 760 LEU A C 5502 O O . LEU A 737 ? 0.2500 0.2293 0.3476 -0.0112 0.0369 0.0182 760 LEU A O 5503 C CB . LEU A 737 ? 0.2191 0.2120 0.2984 -0.0014 0.0346 0.0007 760 LEU A CB 5504 C CG . LEU A 737 ? 0.2412 0.2363 0.3083 0.0086 0.0328 -0.0025 760 LEU A CG 5505 C CD1 . LEU A 737 ? 0.2571 0.2735 0.3166 0.0107 0.0258 -0.0112 760 LEU A CD1 5506 C CD2 . LEU A 737 ? 0.2358 0.2178 0.2978 0.0093 0.0387 -0.0070 760 LEU A CD2 5507 N N . THR A 738 ? 0.2132 0.1673 0.3116 -0.0140 0.0471 0.0135 761 THR A N 5508 C CA . THR A 738 ? 0.2457 0.1905 0.3485 -0.0212 0.0493 0.0185 761 THR A CA 5509 C C . THR A 738 ? 0.2761 0.2183 0.3754 -0.0327 0.0537 0.0084 761 THR A C 5510 O O . THR A 738 ? 0.3274 0.2627 0.4238 -0.0338 0.0580 0.0004 761 THR A O 5511 C CB . THR A 738 ? 0.2815 0.2065 0.3904 -0.0161 0.0531 0.0278 761 THR A CB 5512 O OG1 . THR A 738 ? 0.2948 0.2251 0.4084 -0.0067 0.0495 0.0350 761 THR A OG1 5513 C CG2 . THR A 738 ? 0.2365 0.1502 0.3466 -0.0215 0.0543 0.0349 761 THR A CG2 5514 N N . SER A 739 ? 0.3399 0.2877 0.4390 -0.0420 0.0532 0.0080 762 SER A N 5515 C CA . SER A 739 ? 0.3105 0.2546 0.4070 -0.0556 0.0589 -0.0015 762 SER A CA 5516 C C . SER A 739 ? 0.2996 0.2347 0.3956 -0.0636 0.0615 0.0058 762 SER A C 5517 O O . SER A 739 ? 0.3125 0.2428 0.4099 -0.0573 0.0585 0.0183 762 SER A O 5518 C CB . SER A 739 ? 0.3068 0.2773 0.4020 -0.0605 0.0555 -0.0159 762 SER A CB 5519 O OG . SER A 739 ? 0.3482 0.3402 0.4452 -0.0599 0.0493 -0.0145 762 SER A OG 5520 N N . CYS A 740 ? 0.3103 0.2434 0.4035 -0.0781 0.0673 -0.0023 763 CYS A N 5521 C CA . CYS A 740 ? 0.3412 0.2615 0.4306 -0.0872 0.0718 0.0044 763 CYS A CA 5522 C C . CYS A 740 ? 0.3035 0.2503 0.3943 -0.0947 0.0685 -0.0003 763 CYS A C 5523 O O . CYS A 740 ? 0.3238 0.2941 0.4179 -0.1004 0.0673 -0.0143 763 CYS A O 5524 C CB . CYS A 740 ? 0.3601 0.2556 0.4436 -0.1003 0.0829 -0.0005 763 CYS A CB 5525 S SG . CYS A 740 ? 0.4267 0.2911 0.5005 -0.1057 0.0894 0.0142 763 CYS A SG 5526 N N . GLU A 741 ? 0.2759 0.2200 0.3643 -0.0939 0.0669 0.0109 764 GLU A N 5527 C CA . GLU A 741 ? 0.3799 0.3469 0.4690 -0.1019 0.0655 0.0066 764 GLU A CA 5528 C C . GLU A 741 ? 0.4573 0.4254 0.5447 -0.1207 0.0746 -0.0054 764 GLU A C 5529 O O . GLU A 741 ? 0.4077 0.4043 0.5002 -0.1280 0.0736 -0.0170 764 GLU A O 5530 C CB . GLU A 741 ? 0.4478 0.4070 0.5319 -0.0992 0.0637 0.0209 764 GLU A CB 5531 C CG . GLU A 741 ? 0.6184 0.6033 0.7038 -0.1036 0.0608 0.0177 764 GLU A CG 5532 C CD . GLU A 741 ? 0.7059 0.7213 0.7995 -0.0942 0.0522 0.0100 764 GLU A CD 5533 O OE1 . GLU A 741 ? 0.7002 0.7397 0.7986 -0.1008 0.0526 -0.0038 764 GLU A OE1 5534 O OE2 . GLU A 741 ? 0.6796 0.6947 0.7746 -0.0801 0.0453 0.0173 764 GLU A OE2 5535 N N . ASN A 742 ? 0.4784 0.4160 0.5591 -0.1285 0.0839 -0.0040 765 ASN A N 5536 C CA . ASN A 742 ? 0.4535 0.3898 0.5326 -0.1478 0.0940 -0.0175 765 ASN A CA 5537 C C . ASN A 742 ? 0.4396 0.3827 0.5240 -0.1479 0.0939 -0.0315 765 ASN A C 5538 O O . ASN A 742 ? 0.3541 0.2713 0.4347 -0.1435 0.0972 -0.0285 765 ASN A O 5539 C CB . ASN A 742 ? 0.4474 0.3447 0.5135 -0.1570 0.1050 -0.0086 765 ASN A CB 5540 C CG . ASN A 742 ? 0.5703 0.4664 0.6309 -0.1722 0.1127 -0.0214 765 ASN A CG 5541 O OD1 . ASN A 742 ? 0.5264 0.4406 0.5943 -0.1800 0.1142 -0.0385 765 ASN A OD1 5542 N ND2 . ASN A 742 ? 0.8260 0.7029 0.8737 -0.1768 0.1176 -0.0136 765 ASN A ND2 5543 N N . SER A 743 ? 0.4353 0.4143 0.5281 -0.1520 0.0897 -0.0470 766 SER A N 5544 C CA . SER A 743 ? 0.4386 0.4289 0.5352 -0.1494 0.0871 -0.0602 766 SER A CA 5545 C C . SER A 743 ? 0.4317 0.4037 0.5247 -0.1657 0.0983 -0.0714 766 SER A C 5546 O O . SER A 743 ? 0.4676 0.4460 0.5622 -0.1644 0.0968 -0.0827 766 SER A O 5547 C CB . SER A 743 ? 0.4191 0.4544 0.5247 -0.1476 0.0783 -0.0736 766 SER A CB 5548 O OG . SER A 743 ? 0.5297 0.5829 0.6401 -0.1667 0.0843 -0.0886 766 SER A OG 5549 N N . THR A 744 ? 0.4412 0.3889 0.5278 -0.1810 0.1099 -0.0688 767 THR A N 5550 C CA . THR A 744 ? 0.4432 0.3649 0.5209 -0.1889 0.1189 -0.0748 767 THR A CA 5551 C C . THR A 744 ? 0.4720 0.3577 0.5438 -0.1775 0.1210 -0.0640 767 THR A C 5552 O O . THR A 744 ? 0.5542 0.4207 0.6200 -0.1811 0.1273 -0.0705 767 THR A O 5553 C CB . THR A 744 ? 0.5785 0.4825 0.6442 -0.1988 0.1271 -0.0713 767 THR A CB 5554 O OG1 . THR A 744 ? 0.6530 0.5251 0.7085 -0.1894 0.1278 -0.0505 767 THR A OG1 5555 C CG2 . THR A 744 ? 0.5165 0.4551 0.5878 -0.2085 0.1257 -0.0800 767 THR A CG2 5556 N N . LYS A 745 ? 0.4613 0.3394 0.5345 -0.1619 0.1152 -0.0480 768 LYS A N 5557 C CA . LYS A 745 ? 0.4164 0.2668 0.4863 -0.1475 0.1153 -0.0383 768 LYS A CA 5558 C C . LYS A 745 ? 0.4076 0.2808 0.4848 -0.1316 0.1048 -0.0405 768 LYS A C 5559 O O . LYS A 745 ? 0.3966 0.3036 0.4799 -0.1278 0.0956 -0.0443 768 LYS A O 5560 C CB . LYS A 745 ? 0.4424 0.2678 0.5067 -0.1374 0.1150 -0.0175 768 LYS A CB 5561 C CG . LYS A 745 ? 0.4908 0.2946 0.5408 -0.1437 0.1204 -0.0116 768 LYS A CG 5562 C CD . LYS A 745 ? 0.5183 0.2995 0.5601 -0.1496 0.1289 -0.0197 768 LYS A CD 5563 C CE . LYS A 745 ? 0.6282 0.3805 0.6546 -0.1516 0.1342 -0.0101 768 LYS A CE 5564 N NZ . LYS A 745 ? 0.6453 0.3775 0.6638 -0.1596 0.1438 -0.0200 768 LYS A NZ 5565 N N . THR A 746 ? 0.3876 0.2403 0.4630 -0.1223 0.1069 -0.0380 769 THR A N 5566 C CA . THR A 746 ? 0.3690 0.2345 0.4485 -0.1073 0.0997 -0.0388 769 THR A CA 5567 C C . THR A 746 ? 0.3817 0.2405 0.4641 -0.0904 0.0943 -0.0211 769 THR A C 5568 O O . THR A 746 ? 0.3637 0.2043 0.4443 -0.0894 0.0964 -0.0086 769 THR A O 5569 C CB . THR A 746 ? 0.5435 0.3890 0.6191 -0.1080 0.1069 -0.0471 769 THR A CB 5570 O OG1 . THR A 746 ? 0.4875 0.2988 0.5610 -0.0996 0.1124 -0.0342 769 THR A OG1 5571 C CG2 . THR A 746 ? 0.4118 0.2526 0.4829 -0.1279 0.1157 -0.0635 769 THR A CG2 5572 N N . PRO A 747 ? 0.3358 0.2076 0.4220 -0.0768 0.0877 -0.0197 770 PRO A N 5573 C CA . PRO A 747 ? 0.3891 0.2541 0.4796 -0.0620 0.0839 -0.0044 770 PRO A CA 5574 C C . PRO A 747 ? 0.3693 0.2017 0.4593 -0.0570 0.0909 0.0038 770 PRO A C 5575 O O . PRO A 747 ? 0.3776 0.2053 0.4725 -0.0454 0.0876 0.0164 770 PRO A O 5576 C CB . PRO A 747 ? 0.4031 0.2851 0.4958 -0.0512 0.0785 -0.0078 770 PRO A CB 5577 C CG . PRO A 747 ? 0.3668 0.2708 0.4556 -0.0589 0.0760 -0.0224 770 PRO A CG 5578 C CD . PRO A 747 ? 0.3418 0.2351 0.4275 -0.0744 0.0836 -0.0318 770 PRO A CD 5579 N N . LEU A 748 ? 0.3759 0.1862 0.4605 -0.0650 0.1002 -0.0034 771 LEU A N 5580 C CA . LEU A 748 ? 0.5074 0.2851 0.5909 -0.0585 0.1075 0.0030 771 LEU A CA 5581 C C . LEU A 748 ? 0.5362 0.2900 0.6109 -0.0643 0.1121 0.0098 771 LEU A C 5582 O O . LEU A 748 ? 0.5872 0.3244 0.6586 -0.0531 0.1117 0.0189 771 LEU A O 5583 C CB . LEU A 748 ? 0.4946 0.2605 0.5752 -0.0607 0.1151 -0.0097 771 LEU A CB 5584 C CG . LEU A 748 ? 0.5271 0.3164 0.6109 -0.0550 0.1106 -0.0180 771 LEU A CG 5585 C CD1 . LEU A 748 ? 0.5279 0.3025 0.6061 -0.0596 0.1193 -0.0314 771 LEU A CD1 5586 C CD2 . LEU A 748 ? 0.4880 0.2840 0.5802 -0.0382 0.1054 -0.0071 771 LEU A CD2 5587 N N . ASN A 749 ? 0.4801 0.2379 0.5488 -0.0799 0.1142 0.0049 772 ASN A N 5588 C CA . ASN A 749 ? 0.5146 0.2541 0.5708 -0.0847 0.1169 0.0112 772 ASN A CA 5589 C C . ASN A 749 ? 0.5824 0.3348 0.6376 -0.0887 0.1117 0.0192 772 ASN A C 5590 O O . ASN A 749 ? 0.5055 0.2488 0.5500 -0.0984 0.1149 0.0205 772 ASN A O 5591 C CB . ASN A 749 ? 0.5772 0.3067 0.6247 -0.1010 0.1260 -0.0026 772 ASN A CB 5592 C CG . ASN A 749 ? 0.6367 0.3926 0.6896 -0.1170 0.1267 -0.0178 772 ASN A CG 5593 O OD1 . ASN A 749 ? 0.6882 0.4685 0.7507 -0.1160 0.1205 -0.0173 772 ASN A OD1 5594 N ND2 . ASN A 749 ? 0.6960 0.4491 0.7433 -0.1318 0.1339 -0.0319 772 ASN A ND2 5595 N N . CYS A 750 ? 0.5205 0.2939 0.5866 -0.0817 0.1045 0.0240 773 CYS A N 5596 C CA . CYS A 750 ? 0.5579 0.3450 0.6239 -0.0840 0.0994 0.0319 773 CYS A CA 5597 C C . CYS A 750 ? 0.4990 0.2707 0.5579 -0.0715 0.0945 0.0484 773 CYS A C 5598 O O . CYS A 750 ? 0.4911 0.2580 0.5549 -0.0562 0.0906 0.0547 773 CYS A O 5599 C CB . CYS A 750 ? 0.5115 0.3341 0.5884 -0.0769 0.0890 0.0299 773 CYS A CB 5600 S SG . CYS A 750 ? 0.4651 0.3123 0.5414 -0.0817 0.0823 0.0343 773 CYS A SG 5601 N N . PRO A 751 ? 0.4967 0.2623 0.5445 -0.0774 0.0943 0.0549 774 PRO A N 5602 C CA . PRO A 751 ? 0.5204 0.2766 0.5620 -0.0651 0.0877 0.0703 774 PRO A CA 5603 C C . PRO A 751 ? 0.5608 0.3404 0.6154 -0.0545 0.0787 0.0760 774 PRO A C 5604 O O . PRO A 751 ? 0.5172 0.3196 0.5805 -0.0609 0.0777 0.0713 774 PRO A O 5605 C CB . PRO A 751 ? 0.5315 0.2806 0.5584 -0.0769 0.0902 0.0740 774 PRO A CB 5606 C CG . PRO A 751 ? 0.5975 0.3608 0.6271 -0.0952 0.0971 0.0596 774 PRO A CG 5607 C CD . PRO A 751 ? 0.5451 0.3111 0.5842 -0.0958 0.1008 0.0473 774 PRO A CD 5608 N N . PRO A 752 ? 0.4930 0.2694 0.5505 -0.0382 0.0721 0.0852 775 PRO A N 5609 C CA . PRO A 752 ? 0.4898 0.2902 0.5620 -0.0279 0.0638 0.0887 775 PRO A CA 5610 C C . PRO A 752 ? 0.4513 0.2696 0.5235 -0.0330 0.0590 0.0930 775 PRO A C 5611 O O . PRO A 752 ? 0.4720 0.3147 0.5557 -0.0308 0.0540 0.0903 775 PRO A O 5612 C CB . PRO A 752 ? 0.4220 0.2144 0.4944 -0.0116 0.0581 0.0973 775 PRO A CB 5613 C CG . PRO A 752 ? 0.5106 0.2748 0.5637 -0.0140 0.0612 0.1026 775 PRO A CG 5614 C CD . PRO A 752 ? 0.5624 0.3146 0.6096 -0.0288 0.0715 0.0926 775 PRO A CD 5615 N N . GLY A 753 ? 0.4545 0.2623 0.5116 -0.0397 0.0600 0.0985 776 GLY A N 5616 C CA . GLY A 753 ? 0.4756 0.2995 0.5311 -0.0457 0.0568 0.1021 776 GLY A CA 5617 C C . GLY A 753 ? 0.5058 0.3523 0.5661 -0.0584 0.0593 0.0893 776 GLY A C 5618 O O . GLY A 753 ? 0.3983 0.2662 0.4591 -0.0606 0.0543 0.0889 776 GLY A O 5619 N N . SER A 754 ? 0.4552 0.2994 0.5184 -0.0656 0.0660 0.0776 777 SER A N 5620 C CA . SER A 754 ? 0.3610 0.2282 0.4277 -0.0773 0.0678 0.0633 777 SER A CA 5621 C C . SER A 754 ? 0.3996 0.2869 0.4782 -0.0711 0.0637 0.0534 777 SER A C 5622 O O . SER A 754 ? 0.3506 0.2561 0.4321 -0.0791 0.0649 0.0404 777 SER A O 5623 C CB . SER A 754 ? 0.3644 0.2147 0.4227 -0.0935 0.0793 0.0559 777 SER A CB 5624 O OG . SER A 754 ? 0.4786 0.3130 0.5235 -0.1011 0.0838 0.0644 777 SER A OG 5625 N N . LEU A 755 ? 0.3617 0.2472 0.4469 -0.0569 0.0588 0.0590 778 LEU A N 5626 C CA . LEU A 755 ? 0.3593 0.2617 0.4529 -0.0509 0.0555 0.0508 778 LEU A CA 5627 C C . LEU A 755 ? 0.3233 0.2548 0.4196 -0.0505 0.0488 0.0464 778 LEU A C 5628 O O . LEU A 755 ? 0.3033 0.2427 0.3985 -0.0491 0.0443 0.0531 778 LEU A O 5629 C CB . LEU A 755 ? 0.2679 0.1631 0.3681 -0.0367 0.0527 0.0579 778 LEU A CB 5630 C CG . LEU A 755 ? 0.3599 0.2283 0.4592 -0.0344 0.0596 0.0595 778 LEU A CG 5631 C CD1 . LEU A 755 ? 0.3325 0.1966 0.4402 -0.0196 0.0562 0.0682 778 LEU A CD1 5632 C CD2 . LEU A 755 ? 0.3657 0.2329 0.4647 -0.0398 0.0655 0.0460 778 LEU A CD2 5633 N N . LYS A 756 ? 0.2645 0.2108 0.3633 -0.0506 0.0482 0.0351 779 LYS A N 5634 C CA . LYS A 756 ? 0.3163 0.2889 0.4166 -0.0483 0.0421 0.0294 779 LYS A CA 5635 C C . LYS A 756 ? 0.3045 0.2801 0.4073 -0.0361 0.0386 0.0293 779 LYS A C 5636 O O . LYS A 756 ? 0.3078 0.2755 0.4105 -0.0345 0.0419 0.0245 779 LYS A O 5637 C CB . LYS A 756 ? 0.3403 0.3281 0.4396 -0.0586 0.0443 0.0153 779 LYS A CB 5638 C CG . LYS A 756 ? 0.3278 0.3444 0.4284 -0.0564 0.0382 0.0081 779 LYS A CG 5639 C CD . LYS A 756 ? 0.4015 0.4339 0.5032 -0.0676 0.0410 -0.0067 779 LYS A CD 5640 C CE . LYS A 756 ? 0.4818 0.5452 0.5856 -0.0635 0.0343 -0.0152 779 LYS A CE 5641 N NZ . LYS A 756 ? 0.4933 0.5667 0.5981 -0.0655 0.0328 -0.0105 779 LYS A NZ 5642 N N . VAL A 757 ? 0.2148 0.2002 0.3189 -0.0282 0.0328 0.0345 780 VAL A N 5643 C CA . VAL A 757 ? 0.1985 0.1846 0.3035 -0.0178 0.0309 0.0349 780 VAL A CA 5644 C C . VAL A 757 ? 0.2364 0.2414 0.3371 -0.0137 0.0259 0.0295 780 VAL A C 5645 O O . VAL A 757 ? 0.1982 0.2155 0.2983 -0.0157 0.0224 0.0299 780 VAL A O 5646 C CB . VAL A 757 ? 0.2219 0.1982 0.3321 -0.0110 0.0299 0.0459 780 VAL A CB 5647 C CG1 . VAL A 757 ? 0.2387 0.2244 0.3492 -0.0103 0.0247 0.0519 780 VAL A CG1 5648 C CG2 . VAL A 757 ? 0.2818 0.2555 0.3932 -0.0023 0.0310 0.0450 780 VAL A CG2 5649 N N . LEU A 758 ? 0.2560 0.2620 0.3526 -0.0073 0.0258 0.0245 781 LEU A N 5650 C CA . LEU A 758 ? 0.2229 0.2415 0.3127 0.0001 0.0213 0.0209 781 LEU A CA 5651 C C . LEU A 758 ? 0.1889 0.1960 0.2748 0.0088 0.0232 0.0242 781 LEU A C 5652 O O . LEU A 758 ? 0.2082 0.2078 0.2911 0.0099 0.0267 0.0201 781 LEU A O 5653 C CB . LEU A 758 ? 0.1680 0.2017 0.2529 -0.0013 0.0194 0.0090 781 LEU A CB 5654 C CG . LEU A 758 ? 0.2323 0.2759 0.3070 0.0093 0.0147 0.0045 781 LEU A CG 5655 C CD1 . LEU A 758 ? 0.1593 0.2124 0.2329 0.0138 0.0103 0.0080 781 LEU A CD1 5656 C CD2 . LEU A 758 ? 0.2950 0.3551 0.3661 0.0081 0.0122 -0.0086 781 LEU A CD2 5657 N N . SER A 759 ? 0.1598 0.1649 0.2452 0.0139 0.0218 0.0306 782 SER A N 5658 C CA . SER A 759 ? 0.1626 0.1565 0.2444 0.0205 0.0250 0.0335 782 SER A CA 5659 C C . SER A 759 ? 0.1905 0.1878 0.2596 0.0280 0.0224 0.0318 782 SER A C 5660 O O . SER A 759 ? 0.1807 0.1878 0.2480 0.0288 0.0179 0.0319 782 SER A O 5661 C CB . SER A 759 ? 0.1639 0.1509 0.2557 0.0199 0.0267 0.0421 782 SER A CB 5662 O OG . SER A 759 ? 0.2250 0.2074 0.3276 0.0151 0.0284 0.0451 782 SER A OG 5663 N N . PHE A 760 ? 0.1729 0.1600 0.2322 0.0339 0.0261 0.0307 783 PHE A N 5664 C CA . PHE A 760 ? 0.1803 0.1634 0.2236 0.0423 0.0254 0.0304 783 PHE A CA 5665 C C . PHE A 760 ? 0.2062 0.1730 0.2477 0.0439 0.0322 0.0357 783 PHE A C 5666 O O . PHE A 760 ? 0.2099 0.1689 0.2578 0.0412 0.0379 0.0365 783 PHE A O 5667 C CB . PHE A 760 ? 0.1922 0.1770 0.2204 0.0485 0.0239 0.0232 783 PHE A CB 5668 C CG . PHE A 760 ? 0.2109 0.2147 0.2416 0.0466 0.0176 0.0158 783 PHE A CG 5669 C CD1 . PHE A 760 ? 0.1863 0.2040 0.2127 0.0514 0.0112 0.0135 783 PHE A CD1 5670 C CD2 . PHE A 760 ? 0.2094 0.2179 0.2468 0.0400 0.0186 0.0102 783 PHE A CD2 5671 C CE1 . PHE A 760 ? 0.2048 0.2433 0.2355 0.0491 0.0059 0.0053 783 PHE A CE1 5672 C CE2 . PHE A 760 ? 0.1872 0.2149 0.2279 0.0363 0.0136 0.0018 783 PHE A CE2 5673 C CZ . PHE A 760 ? 0.2723 0.3166 0.3105 0.0407 0.0072 -0.0009 783 PHE A CZ 5674 N N . ILE A 761 ? 0.2747 0.2360 0.3070 0.0480 0.0324 0.0385 784 ILE A N 5675 C CA . ILE A 761 ? 0.2421 0.1867 0.2682 0.0494 0.0401 0.0419 784 ILE A CA 5676 C C . ILE A 761 ? 0.2167 0.1506 0.2177 0.0589 0.0404 0.0405 784 ILE A C 5677 O O . ILE A 761 ? 0.2537 0.1864 0.2466 0.0627 0.0378 0.0418 784 ILE A O 5678 C CB . ILE A 761 ? 0.2290 0.1738 0.2672 0.0441 0.0414 0.0466 784 ILE A CB 5679 C CG1 . ILE A 761 ? 0.1767 0.1318 0.2376 0.0369 0.0399 0.0484 784 ILE A CG1 5680 C CG2 . ILE A 761 ? 0.2039 0.1313 0.2343 0.0442 0.0506 0.0486 784 ILE A CG2 5681 C CD1 . ILE A 761 ? 0.1808 0.1388 0.2552 0.0319 0.0404 0.0524 784 ILE A CD1 5682 N N . LEU A 762 ? 0.2588 0.1840 0.2459 0.0635 0.0437 0.0379 785 LEU A N 5683 C CA . LEU A 762 ? 0.2872 0.2034 0.2478 0.0746 0.0422 0.0366 785 LEU A CA 5684 C C . LEU A 762 ? 0.3071 0.1986 0.2511 0.0769 0.0515 0.0412 785 LEU A C 5685 O O . LEU A 762 ? 0.3542 0.2342 0.2985 0.0728 0.0604 0.0421 785 LEU A O 5686 C CB . LEU A 762 ? 0.2596 0.1788 0.2104 0.0788 0.0404 0.0310 785 LEU A CB 5687 C CG . LEU A 762 ? 0.3485 0.2907 0.3170 0.0735 0.0333 0.0253 785 LEU A CG 5688 C CD1 . LEU A 762 ? 0.3682 0.3128 0.3288 0.0752 0.0329 0.0184 785 LEU A CD1 5689 C CD2 . LEU A 762 ? 0.2508 0.2103 0.2205 0.0773 0.0239 0.0229 785 LEU A CD2 5690 N N . PRO A 763 ? 0.2966 0.1781 0.2250 0.0833 0.0507 0.0437 786 PRO A N 5691 C CA . PRO A 763 ? 0.3247 0.1783 0.2325 0.0855 0.0609 0.0478 786 PRO A CA 5692 C C . PRO A 763 ? 0.3957 0.2334 0.2794 0.0923 0.0657 0.0472 786 PRO A C 5693 O O . PRO A 763 ? 0.3953 0.2380 0.2641 0.1027 0.0584 0.0443 786 PRO A O 5694 C CB . PRO A 763 ? 0.3225 0.1690 0.2143 0.0941 0.0570 0.0494 786 PRO A CB 5695 C CG . PRO A 763 ? 0.3752 0.2493 0.2860 0.0936 0.0456 0.0462 786 PRO A CG 5696 C CD . PRO A 763 ? 0.3041 0.1983 0.2301 0.0901 0.0409 0.0420 786 PRO A CD 5697 N N . HIS A 764 ? 0.3459 0.1652 0.2254 0.0864 0.0782 0.0495 787 HIS A N 5698 C CA . HIS A 764 ? 0.3959 0.1977 0.2511 0.0915 0.0847 0.0492 787 HIS A CA 5699 C C . HIS A 764 ? 0.4948 0.2666 0.3145 0.1007 0.0901 0.0538 787 HIS A C 5700 O O . HIS A 764 ? 0.4598 0.2087 0.2708 0.0949 0.1032 0.0572 787 HIS A O 5701 C CB . HIS A 764 ? 0.3683 0.1664 0.2373 0.0804 0.0964 0.0485 787 HIS A CB 5702 C CG . HIS A 764 ? 0.3936 0.1754 0.2387 0.0847 0.1035 0.0474 787 HIS A CG 5703 N ND1 . HIS A 764 ? 0.4311 0.1965 0.2732 0.0776 0.1185 0.0481 787 HIS A ND1 5704 C CD2 . HIS A 764 ? 0.4095 0.1895 0.2314 0.0955 0.0976 0.0452 787 HIS A CD2 5705 C CE1 . HIS A 764 ? 0.4336 0.1860 0.2502 0.0836 0.1222 0.0469 787 HIS A CE1 5706 N NE2 . HIS A 764 ? 0.4630 0.2239 0.2663 0.0949 0.1091 0.0452 787 HIS A NE2 5707 N N . ARG A 765 ? 0.4827 0.2544 0.2811 0.1155 0.0801 0.0537 788 ARG A N 5708 C CA . ARG A 765 ? 0.4898 0.2346 0.2556 0.1245 0.0841 0.0578 788 ARG A CA 5709 C C . ARG A 765 ? 0.5770 0.3049 0.3074 0.1367 0.0851 0.0582 788 ARG A C 5710 O O . ARG A 765 ? 0.5725 0.3133 0.3012 0.1430 0.0778 0.0552 788 ARG A O 5711 C CB . ARG A 765 ? 0.4578 0.2154 0.2253 0.1320 0.0729 0.0565 788 ARG A CB 5712 C CG . ARG A 765 ? 0.4140 0.1824 0.2109 0.1193 0.0740 0.0566 788 ARG A CG 5713 C CD . ARG A 765 ? 0.4953 0.2769 0.2952 0.1261 0.0636 0.0550 788 ARG A CD 5714 N NE . ARG A 765 ? 0.5492 0.3124 0.3209 0.1346 0.0654 0.0553 788 ARG A NE 5715 C CZ . ARG A 765 ? 0.5208 0.2881 0.2914 0.1394 0.0602 0.0540 788 ARG A CZ 5716 N NH1 . ARG A 765 ? 0.4672 0.2568 0.2629 0.1361 0.0530 0.0523 788 ARG A NH1 5717 N NH2 . ARG A 765 ? 0.5420 0.2901 0.2857 0.1479 0.0628 0.0543 788 ARG A NH2 5718 N N . PRO A 766 ? 0.5552 0.2580 0.2595 0.1380 0.0940 0.0597 789 PRO A N 5719 C CA . PRO A 766 ? 0.5568 0.2408 0.2252 0.1499 0.0958 0.0599 789 PRO A CA 5720 C C . PRO A 766 ? 0.6261 0.3184 0.2761 0.1691 0.0811 0.0577 789 PRO A C 5721 O O . PRO A 766 ? 0.6685 0.3503 0.2915 0.1808 0.0795 0.0569 789 PRO A O 5722 C CB . PRO A 766 ? 0.6166 0.2704 0.2664 0.1443 0.1109 0.0612 789 PRO A CB 5723 C CG . PRO A 766 ? 0.6049 0.2655 0.2764 0.1345 0.1118 0.0612 789 PRO A CG 5724 C CD . PRO A 766 ? 0.5341 0.2226 0.2428 0.1257 0.1060 0.0606 789 PRO A CD 5725 N N . ASP A 767 ? 0.6330 0.3441 0.2969 0.1731 0.0707 0.0558 790 ASP A N 5726 C CA . ASP A 767 ? 0.5880 0.3135 0.2401 0.1910 0.0563 0.0519 790 ASP A CA 5727 C C . ASP A 767 ? 0.5622 0.3228 0.2448 0.1902 0.0436 0.0485 790 ASP A C 5728 O O . ASP A 767 ? 0.5545 0.3244 0.2650 0.1768 0.0463 0.0498 790 ASP A O 5729 C CB . ASP A 767 ? 0.6324 0.3390 0.2606 0.2007 0.0581 0.0520 790 ASP A CB 5730 C CG . ASP A 767 ? 0.7001 0.4066 0.3429 0.1926 0.0610 0.0532 790 ASP A CG 5731 O OD1 . ASP A 767 ? 0.6413 0.3741 0.3106 0.1895 0.0525 0.0512 790 ASP A OD1 5732 O OD2 . ASP A 767 ? 0.8576 0.5367 0.4842 0.1895 0.0720 0.0558 790 ASP A OD2 5733 N N . ASN A 768 ? 0.5337 0.3152 0.2126 0.2046 0.0299 0.0431 791 ASN A N 5734 C CA . ASN A 768 ? 0.5408 0.3579 0.2472 0.2052 0.0176 0.0380 791 ASN A CA 5735 C C . ASN A 768 ? 0.5187 0.3401 0.2231 0.2123 0.0135 0.0357 791 ASN A C 5736 O O . ASN A 768 ? 0.5431 0.3936 0.2582 0.2202 0.0016 0.0290 791 ASN A O 5737 C CB . ASN A 768 ? 0.4890 0.3340 0.1978 0.2140 0.0050 0.0314 791 ASN A CB 5738 C CG . ASN A 768 ? 0.5346 0.3840 0.2574 0.2008 0.0092 0.0311 791 ASN A CG 5739 O OD1 . ASN A 768 ? 0.6799 0.5273 0.3881 0.2032 0.0090 0.0284 791 ASN A OD1 5740 N ND2 . ASN A 768 ? 0.4516 0.3093 0.2066 0.1829 0.0145 0.0313 791 ASN A ND2 5741 N N . SER A 769 ? 0.5336 0.3264 0.2247 0.2089 0.0240 0.0405 792 SER A N 5742 C CA . SER A 769 ? 0.6085 0.4015 0.2959 0.2153 0.0214 0.0390 792 SER A CA 5743 C C . SER A 769 ? 0.4921 0.3106 0.2113 0.2072 0.0162 0.0368 792 SER A C 5744 O O . SER A 769 ? 0.5235 0.3552 0.2449 0.2151 0.0095 0.0329 792 SER A O 5745 C CB . SER A 769 ? 0.6665 0.4219 0.3320 0.2124 0.0345 0.0444 792 SER A CB 5746 O OG . SER A 769 ? 0.5824 0.3280 0.2638 0.1939 0.0449 0.0486 792 SER A OG 5747 N N . GLU A 770 ? 0.4931 0.3179 0.2366 0.1920 0.0196 0.0392 793 GLU A N 5748 C CA . GLU A 770 ? 0.4743 0.3248 0.2482 0.1851 0.0141 0.0366 793 GLU A CA 5749 C C . GLU A 770 ? 0.4896 0.3762 0.2751 0.1943 0.0004 0.0287 793 GLU A C 5750 O O . GLU A 770 ? 0.4854 0.3933 0.2875 0.1943 -0.0053 0.0246 793 GLU A O 5751 C CB . GLU A 770 ? 0.3943 0.2465 0.1919 0.1691 0.0196 0.0399 793 GLU A CB 5752 C CG . GLU A 770 ? 0.3639 0.2375 0.1904 0.1615 0.0157 0.0383 793 GLU A CG 5753 C CD . GLU A 770 ? 0.3476 0.2306 0.2004 0.1465 0.0188 0.0397 793 GLU A CD 5754 O OE1 . GLU A 770 ? 0.4004 0.2696 0.2508 0.1394 0.0262 0.0425 793 GLU A OE1 5755 O OE2 . GLU A 770 ? 0.3101 0.2171 0.1881 0.1379 0.0145 0.0365 793 GLU A OE2 5756 N N . SER A 771 ? 0.4796 0.3747 0.2570 0.2016 -0.0047 0.0255 794 SER A N 5757 C CA . SER A 771 ? 0.4495 0.3816 0.2382 0.2095 -0.0176 0.0161 794 SER A CA 5758 C C . SER A 771 ? 0.4782 0.4115 0.2450 0.2264 -0.0231 0.0111 794 SER A C 5759 O O . SER A 771 ? 0.4675 0.4325 0.2426 0.2335 -0.0335 0.0018 794 SER A O 5760 C CB . SER A 771 ? 0.4310 0.3781 0.2271 0.2076 -0.0218 0.0133 794 SER A CB 5761 O OG . SER A 771 ? 0.3912 0.3338 0.2072 0.1905 -0.0144 0.0173 794 SER A OG 5762 N N . CYS A 772 ? 0.4821 0.3824 0.2220 0.2327 -0.0159 0.0164 795 CYS A N 5763 C CA . CYS A 772 ? 0.5570 0.4530 0.2724 0.2506 -0.0200 0.0127 795 CYS A CA 5764 C C . CYS A 772 ? 0.5986 0.5112 0.3080 0.2601 -0.0279 0.0066 795 CYS A C 5765 O O . CYS A 772 ? 0.5491 0.4822 0.2558 0.2735 -0.0369 -0.0014 795 CYS A O 5766 C CB . CYS A 772 ? 0.5725 0.4890 0.2970 0.2575 -0.0265 0.0068 795 CYS A CB 5767 S SG . CYS A 772 ? 0.5475 0.4396 0.2715 0.2499 -0.0172 0.0137 795 CYS A SG 5768 N N . ALA A 773 ? 0.5310 0.4346 0.2383 0.2531 -0.0244 0.0100 796 ALA A N 5769 C CA . ALA A 773 ? 0.6261 0.5499 0.3328 0.2587 -0.0325 0.0036 796 ALA A CA 5770 C C . ALA A 773 ? 0.7779 0.6726 0.4534 0.2662 -0.0277 0.0077 796 ALA A C 5771 O O . ALA A 773 ? 0.7993 0.7090 0.4726 0.2701 -0.0343 0.0026 796 ALA A O 5772 C CB . ALA A 773 ? 0.4693 0.4151 0.2022 0.2444 -0.0350 0.0019 796 ALA A CB 5773 N N . ASP A 774 ? 0.7410 0.5950 0.3924 0.2671 -0.0160 0.0162 797 ASP A N 5774 C CA . ASP A 774 ? 0.8270 0.6521 0.4488 0.2728 -0.0101 0.0201 797 ASP A CA 5775 C C . ASP A 774 ? 0.8663 0.7010 0.4711 0.2925 -0.0200 0.0139 797 ASP A C 5776 O O . ASP A 774 ? 0.9759 0.8044 0.5651 0.2973 -0.0211 0.0137 797 ASP A O 5777 C CB . ASP A 774 ? 0.8501 0.6309 0.4509 0.2682 0.0054 0.0292 797 ASP A CB 5778 C CG . ASP A 774 ? 0.8204 0.5908 0.4373 0.2477 0.0164 0.0352 797 ASP A CG 5779 O OD1 . ASP A 774 ? 0.7618 0.5356 0.3855 0.2397 0.0181 0.0362 797 ASP A OD1 5780 O OD2 . ASP A 774 ? 0.8791 0.6392 0.5028 0.2396 0.0231 0.0385 797 ASP A OD2 5781 N N . LYS A 775 ? 0.8608 0.7124 0.4692 0.3037 -0.0275 0.0084 798 LYS A N 5782 C CA . LYS A 775 ? 0.9199 0.7882 0.5176 0.3226 -0.0384 0.0011 798 LYS A CA 5783 C C . LYS A 775 ? 0.8735 0.7938 0.5013 0.3221 -0.0523 -0.0108 798 LYS A C 5784 O O . LYS A 775 ? 0.8541 0.7960 0.4792 0.3369 -0.0621 -0.0189 798 LYS A O 5785 C CB . LYS A 775 ? 0.9413 0.7962 0.5215 0.3373 -0.0379 0.0015 798 LYS A CB 5786 C CG . LYS A 775 ? 1.0022 0.8078 0.5554 0.3355 -0.0235 0.0120 798 LYS A CG 5787 C CD . LYS A 775 ? 1.0559 0.8276 0.5740 0.3449 -0.0181 0.0168 798 LYS A CD 5788 C CE . LYS A 775 ? 1.0759 0.8023 0.5639 0.3484 -0.0056 0.0245 798 LYS A CE 5789 N NZ . LYS A 775 ? 1.0254 0.7581 0.5109 0.3601 -0.0101 0.0216 798 LYS A NZ 5790 N N . SER A 776 ? 0.8436 0.7847 0.4998 0.3051 -0.0528 -0.0126 799 SER A N 5791 C CA . SER A 776 ? 0.8051 0.7956 0.4918 0.3011 -0.0643 -0.0247 799 SER A CA 5792 C C . SER A 776 ? 0.7888 0.7936 0.4733 0.3007 -0.0702 -0.0300 799 SER A C 5793 O O . SER A 776 ? 0.7235 0.7059 0.3968 0.2927 -0.0638 -0.0234 799 SER A O 5794 C CB . SER A 776 ? 0.7904 0.7946 0.5065 0.2827 -0.0618 -0.0241 799 SER A CB 5795 O OG . SER A 776 ? 0.8088 0.8601 0.5549 0.2771 -0.0715 -0.0365 799 SER A OG 5796 N N . PRO A 777 ? 0.7819 0.8242 0.4769 0.3079 -0.0817 -0.0424 800 PRO A N 5797 C CA . PRO A 777 ? 0.8121 0.8695 0.5042 0.3067 -0.0877 -0.0487 800 PRO A CA 5798 C C . PRO A 777 ? 0.8135 0.9034 0.5345 0.2876 -0.0910 -0.0574 800 PRO A C 5799 O O . PRO A 777 ? 0.8785 0.9846 0.5992 0.2841 -0.0961 -0.0650 800 PRO A O 5800 C CB . PRO A 777 ? 0.7914 0.8747 0.4816 0.3240 -0.0982 -0.0587 800 PRO A CB 5801 C CG . PRO A 777 ? 0.7875 0.8954 0.5018 0.3234 -0.1003 -0.0645 800 PRO A CG 5802 C CD . PRO A 777 ? 0.7743 0.8486 0.4849 0.3164 -0.0892 -0.0522 800 PRO A CD 5803 N N . ASP A 778 ? 0.7565 0.8560 0.5013 0.2747 -0.0881 -0.0572 801 ASP A N 5804 C CA . ASP A 778 ? 0.6393 0.7692 0.4118 0.2560 -0.0907 -0.0661 801 ASP A CA 5805 C C . ASP A 778 ? 0.6519 0.7588 0.4275 0.2431 -0.0816 -0.0558 801 ASP A C 5806 O O . ASP A 778 ? 0.6573 0.7271 0.4154 0.2482 -0.0735 -0.0424 801 ASP A O 5807 C CB . ASP A 778 ? 0.6676 0.8430 0.4717 0.2531 -0.0978 -0.0795 801 ASP A CB 5808 C CG . ASP A 778 ? 0.6472 0.8175 0.4596 0.2561 -0.0943 -0.0743 801 ASP A CG 5809 O OD1 . ASP A 778 ? 0.6220 0.7868 0.4480 0.2431 -0.0892 -0.0692 801 ASP A OD1 5810 O OD2 . ASP A 778 ? 0.7628 0.9341 0.5668 0.2716 -0.0967 -0.0756 801 ASP A OD2 5811 N N . ASN A 779 ? 0.5902 0.7195 0.3886 0.2256 -0.0825 -0.0628 802 ASN A N 5812 C CA . ASN A 779 ? 0.5375 0.6453 0.3503 0.2082 -0.0701 -0.0538 802 ASN A CA 5813 C C . ASN A 779 ? 0.4428 0.5781 0.2922 0.1948 -0.0706 -0.0591 802 ASN A C 5814 O O . ASN A 779 ? 0.4330 0.5589 0.3022 0.1758 -0.0608 -0.0553 802 ASN A O 5815 C CB . ASN A 779 ? 0.5890 0.6805 0.4016 0.1924 -0.0607 -0.0539 802 ASN A CB 5816 C CG . ASN A 779 ? 0.6344 0.6879 0.4096 0.2033 -0.0553 -0.0443 802 ASN A CG 5817 O OD1 . ASN A 779 ? 0.7361 0.7629 0.4901 0.2163 -0.0526 -0.0329 802 ASN A OD1 5818 N ND2 . ASN A 779 ? 0.6029 0.6527 0.3689 0.1979 -0.0529 -0.0494 802 ASN A ND2 5819 N N . LEU A 780 ? 0.4599 0.6280 0.3174 0.2054 -0.0816 -0.0673 803 LEU A N 5820 C CA . LEU A 780 ? 0.4554 0.6502 0.3460 0.1927 -0.0814 -0.0730 803 LEU A CA 5821 C C . LEU A 780 ? 0.5440 0.7146 0.4387 0.1904 -0.0733 -0.0599 803 LEU A C 5822 O O . LEU A 780 ? 0.5857 0.7733 0.5060 0.1785 -0.0714 -0.0627 803 LEU A O 5823 C CB . LEU A 780 ? 0.4630 0.6950 0.3648 0.2006 -0.0897 -0.0860 803 LEU A CB 5824 C CG . LEU A 780 ? 0.5270 0.7873 0.4317 0.2004 -0.0962 -0.1009 803 LEU A CG 5825 C CD1 . LEU A 780 ? 0.4780 0.7782 0.4066 0.1983 -0.0995 -0.1148 803 LEU A CD1 5826 C CD2 . LEU A 780 ? 0.5009 0.7674 0.4117 0.1829 -0.0957 -0.1071 803 LEU A CD2 5827 N N . TRP A 781 ? 0.5380 0.6692 0.4073 0.2006 -0.0679 -0.0464 804 TRP A N 5828 C CA . TRP A 781 ? 0.4039 0.5086 0.2742 0.1978 -0.0594 -0.0343 804 TRP A CA 5829 C C . TRP A 781 ? 0.3912 0.4746 0.2738 0.1768 -0.0471 -0.0272 804 TRP A C 5830 O O . TRP A 781 ? 0.4002 0.4676 0.2897 0.1705 -0.0403 -0.0189 804 TRP A O 5831 C CB . TRP A 781 ? 0.3767 0.4470 0.2126 0.2170 -0.0578 -0.0242 804 TRP A CB 5832 C CG . TRP A 781 ? 0.4266 0.4728 0.2368 0.2208 -0.0548 -0.0202 804 TRP A CG 5833 C CD1 . TRP A 781 ? 0.4242 0.4781 0.2167 0.2321 -0.0615 -0.0268 804 TRP A CD1 5834 C CD2 . TRP A 781 ? 0.4019 0.4130 0.2050 0.2093 -0.0418 -0.0105 804 TRP A CD2 5835 N NE1 . TRP A 781 ? 0.4697 0.4947 0.2383 0.2323 -0.0557 -0.0201 804 TRP A NE1 5836 C CE2 . TRP A 781 ? 0.4883 0.4868 0.2656 0.2166 -0.0421 -0.0109 804 TRP A CE2 5837 C CE3 . TRP A 781 ? 0.3856 0.3769 0.2023 0.1936 -0.0301 -0.0024 804 TRP A CE3 5838 C CZ2 . TRP A 781 ? 0.4749 0.4410 0.2402 0.2082 -0.0299 -0.0034 804 TRP A CZ2 5839 C CZ3 . TRP A 781 ? 0.4216 0.3826 0.2275 0.1860 -0.0188 0.0046 804 TRP A CZ3 5840 C CH2 . TRP A 781 ? 0.4196 0.3683 0.2005 0.1931 -0.0183 0.0040 804 TRP A CH2 5841 N N . VAL A 782 ? 0.3772 0.4598 0.2617 0.1667 -0.0443 -0.0305 805 VAL A N 5842 C CA . VAL A 782 ? 0.3599 0.4203 0.2536 0.1498 -0.0327 -0.0235 805 VAL A CA 5843 C C . VAL A 782 ? 0.3498 0.4245 0.2743 0.1328 -0.0300 -0.0245 805 VAL A C 5844 O O . VAL A 782 ? 0.3069 0.3633 0.2388 0.1245 -0.0222 -0.0155 805 VAL A O 5845 C CB . VAL A 782 ? 0.3432 0.4002 0.2318 0.1439 -0.0303 -0.0281 805 VAL A CB 5846 C CG1 . VAL A 782 ? 0.3058 0.3450 0.2088 0.1267 -0.0189 -0.0222 805 VAL A CG1 5847 C CG2 . VAL A 782 ? 0.3745 0.4106 0.2283 0.1602 -0.0310 -0.0248 805 VAL A CG2 5848 N N . GLU A 783 ? 0.3609 0.4687 0.3032 0.1267 -0.0360 -0.0359 806 GLU A N 5849 C CA . GLU A 783 ? 0.3855 0.5056 0.3544 0.1102 -0.0328 -0.0369 806 GLU A CA 5850 C C . GLU A 783 ? 0.2531 0.3671 0.2248 0.1134 -0.0317 -0.0291 806 GLU A C 5851 O O . GLU A 783 ? 0.2930 0.3967 0.2772 0.1015 -0.0253 -0.0225 806 GLU A O 5852 C CB . GLU A 783 ? 0.3450 0.5028 0.3301 0.1043 -0.0392 -0.0514 806 GLU A CB 5853 C CG . GLU A 783 ? 0.5106 0.6789 0.5205 0.0860 -0.0346 -0.0524 806 GLU A CG 5854 C CD . GLU A 783 ? 0.6213 0.8158 0.6461 0.0730 -0.0358 -0.0664 806 GLU A CD 5855 O OE1 . GLU A 783 ? 0.6649 0.8509 0.7011 0.0563 -0.0286 -0.0654 806 GLU A OE1 5856 O OE2 . GLU A 783 ? 0.7021 0.9253 0.7266 0.0798 -0.0439 -0.0786 806 GLU A OE2 5857 N N . GLU A 784 ? 0.2433 0.3631 0.2025 0.1302 -0.0379 -0.0301 807 GLU A N 5858 C CA . GLU A 784 ? 0.3428 0.4568 0.3039 0.1334 -0.0366 -0.0241 807 GLU A CA 5859 C C . GLU A 784 ? 0.3184 0.3956 0.2692 0.1316 -0.0280 -0.0112 807 GLU A C 5860 O O . GLU A 784 ? 0.2909 0.3619 0.2529 0.1225 -0.0234 -0.0058 807 GLU A O 5861 C CB . GLU A 784 ? 0.3858 0.5103 0.3335 0.1538 -0.0446 -0.0278 807 GLU A CB 5862 C CG . GLU A 784 ? 0.5395 0.6450 0.4797 0.1605 -0.0414 -0.0195 807 GLU A CG 5863 C CD . GLU A 784 ? 0.7199 0.8416 0.6535 0.1781 -0.0489 -0.0251 807 GLU A CD 5864 O OE1 . GLU A 784 ? 0.7817 0.9368 0.7337 0.1737 -0.0531 -0.0353 807 GLU A OE1 5865 O OE2 . GLU A 784 ? 0.7454 0.8411 0.6542 0.1895 -0.0469 -0.0203 807 GLU A OE2 5866 N N . ARG A 785 ? 0.3280 0.3814 0.2574 0.1395 -0.0254 -0.0067 808 ARG A N 5867 C CA . ARG A 785 ? 0.3200 0.3396 0.2403 0.1363 -0.0159 0.0043 808 ARG A CA 5868 C C . ARG A 785 ? 0.2974 0.3150 0.2394 0.1172 -0.0093 0.0072 808 ARG A C 5869 O O . ARG A 785 ? 0.2872 0.2932 0.2362 0.1105 -0.0041 0.0138 808 ARG A O 5870 C CB . ARG A 785 ? 0.3287 0.3243 0.2217 0.1467 -0.0133 0.0075 808 ARG A CB 5871 C CG . ARG A 785 ? 0.3059 0.2649 0.1862 0.1444 -0.0022 0.0182 808 ARG A CG 5872 C CD . ARG A 785 ? 0.3092 0.2572 0.1856 0.1487 -0.0006 0.0231 808 ARG A CD 5873 N NE . ARG A 785 ? 0.3367 0.2995 0.2041 0.1646 -0.0101 0.0182 808 ARG A NE 5874 C CZ . ARG A 785 ? 0.3153 0.2880 0.1906 0.1669 -0.0131 0.0171 808 ARG A CZ 5875 N NH1 . ARG A 785 ? 0.3310 0.2981 0.2209 0.1543 -0.0074 0.0211 808 ARG A NH1 5876 N NH2 . ARG A 785 ? 0.3499 0.3391 0.2184 0.1818 -0.0218 0.0113 808 ARG A NH2 5877 N N . MET A 786 ? 0.2784 0.3084 0.2315 0.1084 -0.0097 0.0018 809 MET A N 5878 C CA . MET A 786 ? 0.2816 0.3071 0.2533 0.0924 -0.0034 0.0050 809 MET A CA 5879 C C . MET A 786 ? 0.2127 0.2516 0.2041 0.0831 -0.0044 0.0058 809 MET A C 5880 O O . MET A 786 ? 0.2468 0.2752 0.2484 0.0741 0.0008 0.0124 809 MET A O 5881 C CB . MET A 786 ? 0.2786 0.3127 0.2563 0.0855 -0.0033 -0.0018 809 MET A CB 5882 C CG . MET A 786 ? 0.3083 0.3273 0.2659 0.0931 -0.0011 -0.0024 809 MET A CG 5883 S SD . MET A 786 ? 0.3099 0.3371 0.2756 0.0831 0.0003 -0.0111 809 MET A SD 5884 C CE . MET A 786 ? 0.3138 0.3287 0.3014 0.0676 0.0093 -0.0040 809 MET A CE 5885 N N . GLN A 787 ? 0.2457 0.3084 0.2417 0.0859 -0.0111 -0.0011 810 GLN A N 5886 C CA . GLN A 787 ? 0.2414 0.3185 0.2545 0.0765 -0.0117 -0.0014 810 GLN A CA 5887 C C . GLN A 787 ? 0.2151 0.2784 0.2263 0.0777 -0.0091 0.0068 810 GLN A C 5888 O O . GLN A 787 ? 0.2016 0.2690 0.2261 0.0676 -0.0076 0.0095 810 GLN A O 5889 C CB . GLN A 787 ? 0.2288 0.3357 0.2461 0.0806 -0.0188 -0.0118 810 GLN A CB 5890 C CG . GLN A 787 ? 0.2490 0.3759 0.2762 0.0726 -0.0205 -0.0218 810 GLN A CG 5891 C CD . GLN A 787 ? 0.2851 0.4450 0.3192 0.0754 -0.0269 -0.0335 810 GLN A CD 5892 O OE1 . GLN A 787 ? 0.4372 0.6054 0.4681 0.0852 -0.0305 -0.0340 810 GLN A OE1 5893 N NE2 . GLN A 787 ? 0.3635 0.5431 0.4075 0.0665 -0.0280 -0.0438 810 GLN A NE2 5894 N N . THR A 788 ? 0.2376 0.2843 0.2312 0.0897 -0.0085 0.0104 811 THR A N 5895 C CA . THR A 788 ? 0.1965 0.2293 0.1886 0.0889 -0.0052 0.0171 811 THR A CA 5896 C C . THR A 788 ? 0.1957 0.2068 0.1898 0.0810 0.0021 0.0248 811 THR A C 5897 O O . THR A 788 ? 0.2219 0.2230 0.2178 0.0774 0.0053 0.0298 811 THR A O 5898 C CB . THR A 788 ? 0.3828 0.4063 0.3551 0.1045 -0.0069 0.0171 811 THR A CB 5899 O OG1 . THR A 788 ? 0.4499 0.4664 0.4242 0.1017 -0.0045 0.0209 811 THR A OG1 5900 C CG2 . THR A 788 ? 0.3315 0.3283 0.2821 0.1133 -0.0028 0.0214 811 THR A CG2 5901 N N . HIS A 789 ? 0.1967 0.2026 0.1924 0.0775 0.0049 0.0250 812 HIS A N 5902 C CA . HIS A 789 ? 0.1964 0.1845 0.1959 0.0707 0.0121 0.0312 812 HIS A CA 5903 C C . HIS A 789 ? 0.2083 0.2046 0.2274 0.0590 0.0131 0.0314 812 HIS A C 5904 O O . HIS A 789 ? 0.1843 0.1695 0.2064 0.0555 0.0184 0.0339 812 HIS A O 5905 C CB . HIS A 789 ? 0.2872 0.2567 0.2689 0.0779 0.0167 0.0320 812 HIS A CB 5906 C CG . HIS A 789 ? 0.2751 0.2274 0.2352 0.0884 0.0184 0.0344 812 HIS A CG 5907 N ND1 . HIS A 789 ? 0.2684 0.2025 0.2256 0.0853 0.0251 0.0398 812 HIS A ND1 5908 C CD2 . HIS A 789 ? 0.2500 0.2005 0.1900 0.1022 0.0143 0.0318 812 HIS A CD2 5909 C CE1 . HIS A 789 ? 0.2800 0.1977 0.2144 0.0961 0.0263 0.0409 812 HIS A CE1 5910 N NE2 . HIS A 789 ? 0.3141 0.2411 0.2372 0.1076 0.0194 0.0366 812 HIS A NE2 5911 N N . THR A 790 ? 0.1703 0.1847 0.2016 0.0531 0.0087 0.0287 813 THR A N 5912 C CA . THR A 790 ? 0.1694 0.1865 0.2170 0.0423 0.0104 0.0308 813 THR A CA 5913 C C . THR A 790 ? 0.2011 0.2094 0.2564 0.0378 0.0132 0.0383 813 THR A C 5914 O O . THR A 790 ? 0.1806 0.1830 0.2299 0.0411 0.0137 0.0408 813 THR A O 5915 C CB . THR A 790 ? 0.2046 0.2403 0.2613 0.0358 0.0066 0.0266 813 THR A CB 5916 O OG1 . THR A 790 ? 0.1471 0.1898 0.2054 0.0352 0.0040 0.0286 813 THR A OG1 5917 C CG2 . THR A 790 ? 0.1573 0.2074 0.2086 0.0396 0.0031 0.0170 813 THR A CG2 5918 N N . ALA A 791 ? 0.1550 0.1624 0.2234 0.0304 0.0149 0.0415 814 ALA A N 5919 C CA . ALA A 791 ? 0.2167 0.2186 0.2937 0.0270 0.0165 0.0480 814 ALA A CA 5920 C C . ALA A 791 ? 0.2276 0.2328 0.3179 0.0201 0.0157 0.0513 814 ALA A C 5921 O O . ALA A 791 ? 0.1865 0.1934 0.2786 0.0175 0.0160 0.0486 814 ALA A O 5922 C CB . ALA A 791 ? 0.1743 0.1623 0.2491 0.0299 0.0223 0.0497 814 ALA A CB 5923 N N . ARG A 792 ? 0.1364 0.1418 0.2350 0.0173 0.0147 0.0569 815 ARG A N 5924 C CA . ARG A 792 ? 0.1377 0.1430 0.2471 0.0130 0.0139 0.0614 815 ARG A CA 5925 C C . ARG A 792 ? 0.1629 0.1588 0.2792 0.0151 0.0187 0.0622 815 ARG A C 5926 O O . ARG A 792 ? 0.1819 0.1729 0.2972 0.0184 0.0224 0.0611 815 ARG A O 5927 C CB . ARG A 792 ? 0.1319 0.1420 0.2473 0.0107 0.0102 0.0669 815 ARG A CB 5928 C CG . ARG A 792 ? 0.1290 0.1483 0.2373 0.0084 0.0059 0.0660 815 ARG A CG 5929 C CD . ARG A 792 ? 0.1639 0.1869 0.2764 0.0068 0.0028 0.0701 815 ARG A CD 5930 N NE . ARG A 792 ? 0.1703 0.1895 0.2896 0.0088 0.0052 0.0707 815 ARG A NE 5931 C CZ . ARG A 792 ? 0.2198 0.2432 0.3490 0.0075 0.0029 0.0742 815 ARG A CZ 5932 N NH1 . ARG A 792 ? 0.1268 0.1568 0.2581 0.0051 -0.0027 0.0785 815 ARG A NH1 5933 N NH2 . ARG A 792 ? 0.1647 0.1864 0.3014 0.0084 0.0064 0.0729 815 ARG A NH2 5934 N N . VAL A 793 ? 0.1430 0.1349 0.2656 0.0131 0.0196 0.0642 816 VAL A N 5935 C CA . VAL A 793 ? 0.1817 0.1653 0.3128 0.0161 0.0243 0.0652 816 VAL A CA 5936 C C . VAL A 793 ? 0.1849 0.1719 0.3258 0.0182 0.0238 0.0690 816 VAL A C 5937 O O . VAL A 793 ? 0.1916 0.1750 0.3379 0.0208 0.0289 0.0676 816 VAL A O 5938 C CB . VAL A 793 ? 0.1769 0.1534 0.3130 0.0146 0.0252 0.0676 816 VAL A CB 5939 C CG1 . VAL A 793 ? 0.1592 0.1287 0.3069 0.0192 0.0292 0.0697 816 VAL A CG1 5940 C CG2 . VAL A 793 ? 0.1773 0.1501 0.3046 0.0112 0.0276 0.0613 816 VAL A CG2 5941 N N . ARG A 794 ? 0.1758 0.1708 0.3193 0.0163 0.0182 0.0730 817 ARG A N 5942 C CA . ARG A 794 ? 0.2251 0.2265 0.3787 0.0172 0.0169 0.0753 817 ARG A CA 5943 C C . ARG A 794 ? 0.1720 0.1725 0.3214 0.0171 0.0213 0.0709 817 ARG A C 5944 O O . ARG A 794 ? 0.1725 0.1751 0.3319 0.0174 0.0245 0.0702 817 ARG A O 5945 C CB . ARG A 794 ? 0.1937 0.2042 0.3477 0.0147 0.0094 0.0796 817 ARG A CB 5946 C CG . ARG A 794 ? 0.2533 0.2734 0.4192 0.0151 0.0067 0.0812 817 ARG A CG 5947 C CD . ARG A 794 ? 0.3195 0.3402 0.5007 0.0198 0.0075 0.0838 817 ARG A CD 5948 N NE . ARG A 794 ? 0.2564 0.2904 0.4513 0.0203 0.0047 0.0837 817 ARG A NE 5949 C CZ . ARG A 794 ? 0.3547 0.3935 0.5655 0.0237 0.0079 0.0820 817 ARG A CZ 5950 N NH1 . ARG A 794 ? 0.2816 0.3106 0.4950 0.0273 0.0146 0.0807 817 ARG A NH1 5951 N NH2 . ARG A 794 ? 0.4029 0.4578 0.6275 0.0232 0.0047 0.0806 817 ARG A NH2 5952 N N . ASP A 795 ? 0.1462 0.1433 0.2808 0.0169 0.0220 0.0675 818 ASP A N 5953 C CA . ASP A 795 ? 0.1474 0.1385 0.2745 0.0178 0.0273 0.0641 818 ASP A CA 5954 C C . ASP A 795 ? 0.1458 0.1278 0.2741 0.0202 0.0350 0.0619 818 ASP A C 5955 O O . ASP A 795 ? 0.1914 0.1693 0.3212 0.0195 0.0411 0.0605 818 ASP A O 5956 C CB . ASP A 795 ? 0.1425 0.1301 0.2516 0.0198 0.0262 0.0612 818 ASP A CB 5957 C CG . ASP A 795 ? 0.1660 0.1627 0.2728 0.0175 0.0196 0.0623 818 ASP A CG 5958 O OD1 . ASP A 795 ? 0.2032 0.2054 0.3175 0.0141 0.0175 0.0644 818 ASP A OD1 5959 O OD2 . ASP A 795 ? 0.1906 0.1902 0.2883 0.0190 0.0168 0.0601 818 ASP A OD2 5960 N N . VAL A 796 ? 0.1687 0.1470 0.2955 0.0222 0.0358 0.0609 819 VAL A N 5961 C CA . VAL A 796 ? 0.1857 0.1549 0.3122 0.0245 0.0434 0.0582 819 VAL A CA 5962 C C . VAL A 796 ? 0.1793 0.1518 0.3244 0.0241 0.0469 0.0598 819 VAL A C 5963 O O . VAL A 796 ? 0.1781 0.1459 0.3251 0.0243 0.0548 0.0574 819 VAL A O 5964 C CB . VAL A 796 ? 0.2058 0.1714 0.3277 0.0257 0.0430 0.0559 819 VAL A CB 5965 C CG1 . VAL A 796 ? 0.2324 0.1886 0.3551 0.0279 0.0513 0.0528 819 VAL A CG1 5966 C CG2 . VAL A 796 ? 0.2187 0.1847 0.3233 0.0267 0.0397 0.0525 819 VAL A CG2 5967 N N . GLU A 797 ? 0.2077 0.1885 0.3664 0.0238 0.0413 0.0637 820 GLU A N 5968 C CA . GLU A 797 ? 0.2025 0.1898 0.3807 0.0253 0.0428 0.0651 820 GLU A CA 5969 C C . GLU A 797 ? 0.2020 0.1972 0.3871 0.0223 0.0450 0.0635 820 GLU A C 5970 O O . GLU A 797 ? 0.1962 0.1936 0.3927 0.0226 0.0518 0.0607 820 GLU A O 5971 C CB . GLU A 797 ? 0.1655 0.1592 0.3528 0.0269 0.0348 0.0706 820 GLU A CB 5972 C CG . GLU A 797 ? 0.2532 0.2367 0.4350 0.0286 0.0346 0.0718 820 GLU A CG 5973 C CD . GLU A 797 ? 0.3061 0.2919 0.4956 0.0309 0.0283 0.0782 820 GLU A CD 5974 O OE1 . GLU A 797 ? 0.2910 0.2672 0.4829 0.0342 0.0302 0.0796 820 GLU A OE1 5975 O OE2 . GLU A 797 ? 0.2383 0.2346 0.4304 0.0298 0.0215 0.0818 820 GLU A OE2 5976 N N . LEU A 798 ? 0.2054 0.2046 0.3833 0.0188 0.0404 0.0643 821 LEU A N 5977 C CA . LEU A 798 ? 0.2101 0.2152 0.3932 0.0144 0.0433 0.0617 821 LEU A CA 5978 C C . LEU A 798 ? 0.1724 0.1651 0.3468 0.0128 0.0547 0.0572 821 LEU A C 5979 O O . LEU A 798 ? 0.1874 0.1843 0.3726 0.0093 0.0613 0.0539 821 LEU A O 5980 C CB . LEU A 798 ? 0.1538 0.1620 0.3275 0.0108 0.0371 0.0626 821 LEU A CB 5981 C CG . LEU A 798 ? 0.2055 0.2278 0.3881 0.0107 0.0264 0.0667 821 LEU A CG 5982 C CD1 . LEU A 798 ? 0.1543 0.1760 0.3223 0.0080 0.0213 0.0673 821 LEU A CD1 5983 C CD2 . LEU A 798 ? 0.1923 0.2313 0.3957 0.0090 0.0243 0.0659 821 LEU A CD2 5984 N N . LEU A 799 ? 0.1582 0.1362 0.3125 0.0154 0.0573 0.0567 822 LEU A N 5985 C CA . LEU A 799 ? 0.1712 0.1341 0.3115 0.0149 0.0679 0.0534 822 LEU A CA 5986 C C . LEU A 799 ? 0.1997 0.1590 0.3471 0.0165 0.0763 0.0511 822 LEU A C 5987 O O . LEU A 799 ? 0.2740 0.2230 0.4144 0.0143 0.0869 0.0482 822 LEU A O 5988 C CB . LEU A 799 ? 0.1780 0.1277 0.2929 0.0189 0.0663 0.0536 822 LEU A CB 5989 C CG . LEU A 799 ? 0.2147 0.1622 0.3179 0.0176 0.0627 0.0543 822 LEU A CG 5990 C CD1 . LEU A 799 ? 0.1813 0.1242 0.2658 0.0233 0.0570 0.0546 822 LEU A CD1 5991 C CD2 . LEU A 799 ? 0.1949 0.1281 0.2878 0.0144 0.0732 0.0522 822 LEU A CD2 5992 N N . THR A 800 ? 0.1865 0.1521 0.3461 0.0200 0.0728 0.0522 823 THR A N 5993 C CA . THR A 800 ? 0.1770 0.1386 0.3430 0.0224 0.0808 0.0495 823 THR A CA 5994 C C . THR A 800 ? 0.2110 0.1871 0.4042 0.0228 0.0818 0.0489 823 THR A C 5995 O O . THR A 800 ? 0.2208 0.1948 0.4213 0.0241 0.0907 0.0454 823 THR A O 5996 C CB . THR A 800 ? 0.2369 0.1915 0.3948 0.0269 0.0779 0.0497 823 THR A CB 5997 O OG1 . THR A 800 ? 0.2079 0.1714 0.3764 0.0281 0.0683 0.0536 823 THR A OG1 5998 C CG2 . THR A 800 ? 0.2482 0.1918 0.3808 0.0277 0.0766 0.0489 823 THR A CG2 5999 N N . GLY A 801 ? 0.2586 0.2500 0.4667 0.0224 0.0730 0.0519 824 GLY A N 6000 C CA . GLY A 801 ? 0.2460 0.2523 0.4796 0.0258 0.0720 0.0518 824 GLY A CA 6001 C C . GLY A 801 ? 0.2224 0.2238 0.4599 0.0330 0.0699 0.0540 824 GLY A C 6002 O O . GLY A 801 ? 0.2367 0.2464 0.4935 0.0379 0.0715 0.0531 824 GLY A O 6003 N N . LEU A 802 ? 0.2157 0.2037 0.4354 0.0338 0.0669 0.0562 825 LEU A N 6004 C CA . LEU A 802 ? 0.2449 0.2251 0.4655 0.0390 0.0655 0.0579 825 LEU A CA 6005 C C . LEU A 802 ? 0.2378 0.2218 0.4594 0.0402 0.0544 0.0644 825 LEU A C 6006 O O . LEU A 802 ? 0.2157 0.2047 0.4299 0.0362 0.0481 0.0667 825 LEU A O 6007 C CB . LEU A 802 ? 0.2113 0.1751 0.4115 0.0376 0.0698 0.0548 825 LEU A CB 6008 C CG . LEU A 802 ? 0.2293 0.1866 0.4235 0.0366 0.0810 0.0489 825 LEU A CG 6009 C CD1 . LEU A 802 ? 0.1966 0.1397 0.3684 0.0359 0.0829 0.0459 825 LEU A CD1 6010 C CD2 . LEU A 802 ? 0.2202 0.1801 0.4335 0.0410 0.0884 0.0462 825 LEU A CD2 6011 N N . ASP A 803 ? 0.2666 0.2461 0.4953 0.0459 0.0527 0.0673 826 ASP A N 6012 C CA . ASP A 803 ? 0.2717 0.2499 0.4973 0.0471 0.0436 0.0741 826 ASP A CA 6013 C C . ASP A 803 ? 0.2110 0.1714 0.4246 0.0471 0.0459 0.0738 826 ASP A C 6014 O O . ASP A 803 ? 0.2020 0.1557 0.4192 0.0511 0.0505 0.0714 826 ASP A O 6015 C CB . ASP A 803 ? 0.2786 0.2693 0.5207 0.0534 0.0376 0.0783 826 ASP A CB 6016 C CG . ASP A 803 ? 0.4868 0.4783 0.7213 0.0530 0.0273 0.0855 826 ASP A CG 6017 O OD1 . ASP A 803 ? 0.5836 0.5843 0.8158 0.0487 0.0222 0.0874 826 ASP A OD1 6018 O OD2 . ASP A 803 ? 0.5761 0.5577 0.8046 0.0566 0.0251 0.0888 826 ASP A OD2 6019 N N . PHE A 804 ? 0.2160 0.1697 0.4150 0.0418 0.0430 0.0752 827 PHE A N 6020 C CA . PHE A 804 ? 0.2696 0.2073 0.4572 0.0393 0.0464 0.0730 827 PHE A CA 6021 C C . PHE A 804 ? 0.2125 0.1431 0.3960 0.0396 0.0418 0.0786 827 PHE A C 6022 O O . PHE A 804 ? 0.3729 0.3114 0.5595 0.0415 0.0348 0.0849 827 PHE A O 6023 C CB . PHE A 804 ? 0.2202 0.1581 0.3920 0.0318 0.0463 0.0683 827 PHE A CB 6024 C CG . PHE A 804 ? 0.2663 0.2102 0.4348 0.0313 0.0497 0.0629 827 PHE A CG 6025 C CD1 . PHE A 804 ? 0.3493 0.2854 0.5147 0.0326 0.0576 0.0566 827 PHE A CD1 6026 C CD2 . PHE A 804 ? 0.2667 0.2218 0.4328 0.0295 0.0457 0.0640 827 PHE A CD2 6027 C CE1 . PHE A 804 ? 0.3268 0.2653 0.4857 0.0324 0.0614 0.0524 827 PHE A CE1 6028 C CE2 . PHE A 804 ? 0.2205 0.1769 0.3804 0.0293 0.0498 0.0596 827 PHE A CE2 6029 C CZ . PHE A 804 ? 0.2538 0.2015 0.4094 0.0309 0.0576 0.0543 827 PHE A CZ 6030 N N . TYR A 805 ? 0.2964 0.2105 0.4716 0.0376 0.0465 0.0761 828 TYR A N 6031 C CA . TYR A 805 ? 0.3023 0.2032 0.4683 0.0356 0.0447 0.0806 828 TYR A CA 6032 C C . TYR A 805 ? 0.2805 0.1793 0.4509 0.0441 0.0412 0.0863 828 TYR A C 6033 O O . TYR A 805 ? 0.3708 0.2621 0.5327 0.0438 0.0372 0.0926 828 TYR A O 6034 C CB . TYR A 805 ? 0.3023 0.2070 0.4604 0.0285 0.0395 0.0848 828 TYR A CB 6035 C CG . TYR A 805 ? 0.2668 0.1764 0.4177 0.0201 0.0415 0.0778 828 TYR A CG 6036 C CD1 . TYR A 805 ? 0.3241 0.2226 0.4659 0.0134 0.0470 0.0712 828 TYR A CD1 6037 C CD2 . TYR A 805 ? 0.3144 0.2419 0.4651 0.0187 0.0371 0.0762 828 TYR A CD2 6038 C CE1 . TYR A 805 ? 0.3156 0.2238 0.4499 0.0065 0.0472 0.0629 828 TYR A CE1 6039 C CE2 . TYR A 805 ? 0.2702 0.2044 0.4121 0.0129 0.0377 0.0689 828 TYR A CE2 6040 C CZ . TYR A 805 ? 0.3312 0.2574 0.4654 0.0073 0.0422 0.0621 828 TYR A CZ 6041 O OH . TYR A 805 ? 0.2986 0.2348 0.4248 0.0027 0.0416 0.0541 828 TYR A OH 6042 N N . SER A 806 ? 0.3002 0.2043 0.4825 0.0519 0.0431 0.0843 829 SER A N 6043 C CA . SER A 806 ? 0.3730 0.2776 0.5607 0.0614 0.0386 0.0897 829 SER A CA 6044 C C . SER A 806 ? 0.4273 0.3081 0.6025 0.0640 0.0407 0.0922 829 SER A C 6045 O O . SER A 806 ? 0.4132 0.2908 0.5868 0.0718 0.0352 0.0986 829 SER A O 6046 C CB . SER A 806 ? 0.4276 0.3445 0.6328 0.0691 0.0409 0.0860 829 SER A CB 6047 O OG . SER A 806 ? 0.5189 0.4273 0.7242 0.0676 0.0505 0.0783 829 SER A OG 6048 N N . ALA A 807 ? 0.3733 0.2365 0.5389 0.0580 0.0484 0.0870 830 ALA A N 6049 C CA . ALA A 807 ? 0.4697 0.3077 0.6231 0.0599 0.0517 0.0885 830 ALA A CA 6050 C C . ALA A 807 ? 0.4707 0.2933 0.6063 0.0515 0.0508 0.0928 830 ALA A C 6051 O O . ALA A 807 ? 0.4827 0.2816 0.6059 0.0516 0.0541 0.0943 830 ALA A O 6052 C CB . ALA A 807 ? 0.4529 0.2779 0.6053 0.0577 0.0616 0.0797 830 ALA A CB 6053 N N . LEU A 808 ? 0.3544 0.1888 0.4881 0.0437 0.0470 0.0946 831 LEU A N 6054 C CA . LEU A 808 ? 0.4033 0.2243 0.5206 0.0342 0.0473 0.0980 831 LEU A CA 6055 C C . LEU A 808 ? 0.4804 0.2869 0.5862 0.0405 0.0429 0.1074 831 LEU A C 6056 O O . LEU A 808 ? 0.5142 0.3326 0.6255 0.0497 0.0350 0.1136 831 LEU A O 6057 C CB . LEU A 808 ? 0.3883 0.2275 0.5073 0.0263 0.0434 0.0986 831 LEU A CB 6058 C CG . LEU A 808 ? 0.3851 0.2365 0.5115 0.0196 0.0470 0.0901 831 LEU A CG 6059 C CD1 . LEU A 808 ? 0.2986 0.1649 0.4239 0.0124 0.0424 0.0924 831 LEU A CD1 6060 C CD2 . LEU A 808 ? 0.4104 0.2445 0.5298 0.0113 0.0564 0.0819 831 LEU A CD2 6061 N N . LYS A 809 ? 0.5266 0.3066 0.6155 0.0350 0.0481 0.1083 832 LYS A N 6062 C CA . LYS A 809 ? 0.4963 0.2568 0.5700 0.0408 0.0447 0.1175 832 LYS A CA 6063 C C . LYS A 809 ? 0.4959 0.2577 0.5571 0.0329 0.0410 0.1239 832 LYS A C 6064 O O . LYS A 809 ? 0.4964 0.2387 0.5403 0.0224 0.0457 0.1252 832 LYS A O 6065 C CB . LYS A 809 ? 0.6838 0.4130 0.7441 0.0383 0.0526 0.1155 832 LYS A CB 6066 C CG . LYS A 809 ? 0.7175 0.4443 0.7885 0.0428 0.0585 0.1073 832 LYS A CG 6067 C CD . LYS A 809 ? 0.8404 0.5774 0.9247 0.0602 0.0527 0.1101 832 LYS A CD 6068 C CE . LYS A 809 ? 0.9337 0.6678 1.0280 0.0642 0.0598 0.1016 832 LYS A CE 6069 N NZ . LYS A 809 ? 0.9329 0.6812 1.0432 0.0802 0.0552 0.1026 832 LYS A NZ 6070 N N . GLN A 810 ? 0.4883 0.2743 0.5588 0.0372 0.0328 0.1275 833 GLN A N 6071 C CA . GLN A 810 ? 0.4820 0.2721 0.5416 0.0319 0.0282 0.1341 833 GLN A CA 6072 C C . GLN A 810 ? 0.4773 0.2904 0.5479 0.0430 0.0175 0.1390 833 GLN A C 6073 O O . GLN A 810 ? 0.4701 0.2992 0.5591 0.0517 0.0150 0.1356 833 GLN A O 6074 C CB . GLN A 810 ? 0.5165 0.3175 0.5773 0.0164 0.0326 0.1285 833 GLN A CB 6075 C CG . GLN A 810 ? 0.3493 0.1785 0.4314 0.0169 0.0306 0.1221 833 GLN A CG 6076 C CD . GLN A 810 ? 0.3322 0.1719 0.4146 0.0030 0.0339 0.1171 833 GLN A CD 6077 O OE1 . GLN A 810 ? 0.3817 0.2089 0.4509 -0.0083 0.0394 0.1165 833 GLN A OE1 6078 N NE2 . GLN A 810 ? 0.3030 0.1657 0.4004 0.0036 0.0310 0.1130 833 GLN A NE2 6079 N N . PRO A 811 ? 0.4687 0.2842 0.5283 0.0423 0.0115 0.1465 834 PRO A N 6080 C CA . PRO A 811 ? 0.4125 0.2525 0.4830 0.0514 0.0009 0.1502 834 PRO A CA 6081 C C . PRO A 811 ? 0.4260 0.2953 0.5189 0.0485 -0.0004 0.1433 834 PRO A C 6082 O O . PRO A 811 ? 0.3891 0.2634 0.4838 0.0373 0.0044 0.1384 834 PRO A O 6083 C CB . PRO A 811 ? 0.4718 0.3079 0.5235 0.0465 -0.0031 0.1579 834 PRO A CB 6084 C CG . PRO A 811 ? 0.4858 0.2857 0.5128 0.0429 0.0036 0.1618 834 PRO A CG 6085 C CD . PRO A 811 ? 0.4764 0.2678 0.5103 0.0352 0.0140 0.1528 834 PRO A CD 6086 N N . LEU A 812 ? 0.3237 0.2123 0.4333 0.0588 -0.0070 0.1427 835 LEU A N 6087 C CA . LEU A 812 ? 0.3541 0.2685 0.4835 0.0561 -0.0081 0.1365 835 LEU A CA 6088 C C . LEU A 812 ? 0.2978 0.2234 0.4229 0.0456 -0.0102 0.1372 835 LEU A C 6089 O O . LEU A 812 ? 0.3239 0.2587 0.4567 0.0387 -0.0066 0.1313 835 LEU A O 6090 C CB . LEU A 812 ? 0.4056 0.3404 0.5517 0.0671 -0.0157 0.1366 835 LEU A CB 6091 C CG . LEU A 812 ? 0.3661 0.3259 0.5314 0.0633 -0.0162 0.1303 835 LEU A CG 6092 C CD1 . LEU A 812 ? 0.3715 0.3264 0.5424 0.0574 -0.0063 0.1227 835 LEU A CD1 6093 C CD2 . LEU A 812 ? 0.3182 0.2984 0.5020 0.0731 -0.0220 0.1286 835 LEU A CD2 6094 N N . SER A 813 ? 0.3303 0.2538 0.4414 0.0447 -0.0158 0.1444 836 SER A N 6095 C CA . SER A 813 ? 0.3212 0.2565 0.4281 0.0354 -0.0182 0.1451 836 SER A CA 6096 C C . SER A 813 ? 0.3415 0.2672 0.4413 0.0232 -0.0095 0.1413 836 SER A C 6097 O O . SER A 813 ? 0.3347 0.2738 0.4373 0.0158 -0.0097 0.1382 836 SER A O 6098 C CB . SER A 813 ? 0.2940 0.2269 0.3846 0.0369 -0.0251 0.1536 836 SER A CB 6099 O OG . SER A 813 ? 0.3784 0.2843 0.4481 0.0347 -0.0199 0.1583 836 SER A OG 6100 N N . GLU A 814 ? 0.3299 0.2327 0.4195 0.0207 -0.0018 0.1408 837 GLU A N 6101 C CA . GLU A 814 ? 0.3781 0.2744 0.4639 0.0085 0.0069 0.1352 837 GLU A CA 6102 C C . GLU A 814 ? 0.2828 0.1903 0.3852 0.0085 0.0098 0.1266 837 GLU A C 6103 O O . GLU A 814 ? 0.2651 0.1839 0.3677 0.0002 0.0121 0.1188 837 GLU A O 6104 C CB . GLU A 814 ? 0.4757 0.3442 0.5471 0.0051 0.0149 0.1355 837 GLU A CB 6105 C CG . GLU A 814 ? 0.6628 0.5140 0.7125 0.0024 0.0149 0.1435 837 GLU A CG 6106 C CD . GLU A 814 ? 0.7995 0.6609 0.8420 -0.0090 0.0149 0.1447 837 GLU A CD 6107 O OE1 . GLU A 814 ? 0.8441 0.7104 0.8897 -0.0209 0.0216 0.1379 837 GLU A OE1 6108 O OE2 . GLU A 814 ? 0.8745 0.7404 0.9085 -0.0060 0.0083 0.1519 837 GLU A OE2 6109 N N . THR A 815 ? 0.3174 0.2243 0.4304 0.0178 0.0098 0.1243 838 THR A N 6110 C CA . THR A 815 ? 0.2925 0.2087 0.4192 0.0181 0.0131 0.1163 838 THR A CA 6111 C C . THR A 815 ? 0.2643 0.2038 0.3985 0.0173 0.0079 0.1136 838 THR A C 6112 O O . THR A 815 ? 0.2956 0.2435 0.4323 0.0137 0.0109 0.1052 838 THR A O 6113 C CB . THR A 815 ? 0.3066 0.2187 0.4425 0.0280 0.0146 0.1144 838 THR A CB 6114 O OG1 . THR A 815 ? 0.3520 0.2408 0.4774 0.0277 0.0202 0.1147 838 THR A OG1 6115 C CG2 . THR A 815 ? 0.2458 0.1670 0.3942 0.0283 0.0188 0.1062 838 THR A CG2 6116 N N . LEU A 816 ? 0.2435 0.1935 0.3785 0.0206 0.0002 0.1195 839 LEU A N 6117 C CA . LEU A 816 ? 0.2551 0.2260 0.3954 0.0190 -0.0041 0.1155 839 LEU A CA 6118 C C . LEU A 816 ? 0.3071 0.2831 0.4361 0.0094 -0.0028 0.1108 839 LEU A C 6119 O O . LEU A 816 ? 0.2833 0.2713 0.4150 0.0075 -0.0027 0.1043 839 LEU A O 6120 C CB . LEU A 816 ? 0.2548 0.2359 0.3983 0.0242 -0.0130 0.1221 839 LEU A CB 6121 C CG . LEU A 816 ? 0.2357 0.2202 0.3950 0.0350 -0.0155 0.1245 839 LEU A CG 6122 C CD1 . LEU A 816 ? 0.2060 0.2039 0.3669 0.0391 -0.0254 0.1298 839 LEU A CD1 6123 C CD2 . LEU A 816 ? 0.2155 0.2101 0.3900 0.0355 -0.0109 0.1157 839 LEU A CD2 6124 N N . ARG A 817 ? 0.2547 0.2211 0.3706 0.0035 -0.0014 0.1139 840 ARG A N 6125 C CA . ARG A 817 ? 0.2641 0.2362 0.3708 -0.0060 0.0011 0.1083 840 ARG A CA 6126 C C . ARG A 817 ? 0.2364 0.2105 0.3467 -0.0083 0.0066 0.0985 840 ARG A C 6127 O O . ARG A 817 ? 0.2432 0.2303 0.3528 -0.0107 0.0062 0.0917 840 ARG A O 6128 C CB . ARG A 817 ? 0.3796 0.3384 0.4726 -0.0129 0.0042 0.1126 840 ARG A CB 6129 C CG . ARG A 817 ? 0.5251 0.4864 0.6076 -0.0148 -0.0006 0.1197 840 ARG A CG 6130 C CD . ARG A 817 ? 0.5078 0.4618 0.5756 -0.0262 0.0053 0.1189 840 ARG A CD 6131 N NE . ARG A 817 ? 0.5935 0.5227 0.6525 -0.0275 0.0104 0.1253 840 ARG A NE 6132 C CZ . ARG A 817 ? 0.6763 0.5931 0.7203 -0.0376 0.0167 0.1269 840 ARG A CZ 6133 N NH1 . ARG A 817 ? 0.7077 0.6380 0.7460 -0.0473 0.0184 0.1219 840 ARG A NH1 6134 N NH2 . ARG A 817 ? 0.6542 0.5442 0.6886 -0.0383 0.0221 0.1332 840 ARG A NH2 6135 N N . LEU A 818 ? 0.2614 0.2216 0.3741 -0.0072 0.0117 0.0975 841 LEU A N 6136 C CA . LEU A 818 ? 0.2600 0.2214 0.3752 -0.0088 0.0167 0.0880 841 LEU A CA 6137 C C . LEU A 818 ? 0.2463 0.2195 0.3687 -0.0030 0.0147 0.0840 841 LEU A C 6138 O O . LEU A 818 ? 0.1889 0.1703 0.3086 -0.0046 0.0158 0.0762 841 LEU A O 6139 C CB . LEU A 818 ? 0.2865 0.2296 0.4036 -0.0072 0.0223 0.0882 841 LEU A CB 6140 C CG . LEU A 818 ? 0.2995 0.2420 0.4173 -0.0095 0.0277 0.0780 841 LEU A CG 6141 C CD1 . LEU A 818 ? 0.3283 0.2757 0.4382 -0.0199 0.0300 0.0710 841 LEU A CD1 6142 C CD2 . LEU A 818 ? 0.3395 0.2626 0.4600 -0.0066 0.0333 0.0787 841 LEU A CD2 6143 N N . LYS A 819 ? 0.2071 0.1812 0.3380 0.0040 0.0119 0.0889 842 LYS A N 6144 C CA . LYS A 819 ? 0.2361 0.2182 0.3737 0.0084 0.0120 0.0852 842 LYS A CA 6145 C C . LYS A 819 ? 0.1968 0.1921 0.3304 0.0067 0.0081 0.0833 842 LYS A C 6146 O O . LYS A 819 ? 0.1976 0.1966 0.3315 0.0087 0.0097 0.0787 842 LYS A O 6147 C CB . LYS A 819 ? 0.2290 0.2103 0.3791 0.0152 0.0110 0.0896 842 LYS A CB 6148 C CG . LYS A 819 ? 0.2708 0.2384 0.4262 0.0193 0.0155 0.0911 842 LYS A CG 6149 C CD . LYS A 819 ? 0.2159 0.1881 0.3863 0.0271 0.0142 0.0940 842 LYS A CD 6150 C CE . LYS A 819 ? 0.2757 0.2357 0.4527 0.0325 0.0198 0.0934 842 LYS A CE 6151 N NZ . LYS A 819 ? 0.2681 0.2369 0.4620 0.0401 0.0194 0.0940 842 LYS A NZ 6152 N N . THR A 820 ? 0.1952 0.1957 0.3238 0.0032 0.0036 0.0869 843 THR A N 6153 C CA . THR A 820 ? 0.1701 0.1821 0.2942 0.0016 0.0005 0.0845 843 THR A CA 6154 C C . THR A 820 ? 0.1786 0.1950 0.2932 -0.0025 0.0020 0.0784 843 THR A C 6155 O O . THR A 820 ? 0.1674 0.1924 0.2772 -0.0028 0.0001 0.0753 843 THR A O 6156 C CB . THR A 820 ? 0.2056 0.2229 0.3289 0.0003 -0.0053 0.0906 843 THR A CB 6157 O OG1 . THR A 820 ? 0.2271 0.2380 0.3439 -0.0032 -0.0057 0.0954 843 THR A OG1 6158 C CG2 . THR A 820 ? 0.1457 0.1652 0.2807 0.0055 -0.0083 0.0946 843 THR A CG2 6159 N N . PHE A 821 ? 0.1683 0.1796 0.2804 -0.0058 0.0055 0.0760 844 PHE A N 6160 C CA . PHE A 821 ? 0.1486 0.1678 0.2542 -0.0099 0.0067 0.0687 844 PHE A CA 6161 C C . PHE A 821 ? 0.1762 0.2014 0.2799 -0.0044 0.0069 0.0618 844 PHE A C 6162 O O . PHE A 821 ? 0.1767 0.1952 0.2828 0.0002 0.0091 0.0608 844 PHE A O 6163 C CB . PHE A 821 ? 0.2113 0.2237 0.3160 -0.0153 0.0112 0.0662 844 PHE A CB 6164 C CG . PHE A 821 ? 0.2106 0.2345 0.3116 -0.0193 0.0127 0.0563 844 PHE A CG 6165 C CD1 . PHE A 821 ? 0.1578 0.1917 0.2550 -0.0262 0.0126 0.0540 844 PHE A CD1 6166 C CD2 . PHE A 821 ? 0.1637 0.1897 0.2650 -0.0160 0.0142 0.0487 844 PHE A CD2 6167 C CE1 . PHE A 821 ? 0.2560 0.3046 0.3522 -0.0296 0.0137 0.0435 844 PHE A CE1 6168 C CE2 . PHE A 821 ? 0.1534 0.1930 0.2521 -0.0185 0.0143 0.0389 844 PHE A CE2 6169 C CZ . PHE A 821 ? 0.1838 0.2362 0.2812 -0.0253 0.0140 0.0358 844 PHE A CZ 6170 N N . LEU A 822 ? 0.1644 0.2013 0.2627 -0.0044 0.0049 0.0572 845 LEU A N 6171 C CA . LEU A 822 ? 0.1695 0.2105 0.2628 0.0021 0.0048 0.0508 845 LEU A CA 6172 C C . LEU A 822 ? 0.1806 0.2325 0.2712 0.0004 0.0052 0.0423 845 LEU A C 6173 O O . LEU A 822 ? 0.1876 0.2513 0.2776 -0.0044 0.0042 0.0395 845 LEU A O 6174 C CB . LEU A 822 ? 0.1424 0.1877 0.2310 0.0059 0.0023 0.0511 845 LEU A CB 6175 C CG . LEU A 822 ? 0.1294 0.1752 0.2098 0.0144 0.0024 0.0455 845 LEU A CG 6176 C CD1 . LEU A 822 ? 0.1330 0.1645 0.2121 0.0193 0.0055 0.0473 845 LEU A CD1 6177 C CD2 . LEU A 822 ? 0.1294 0.1793 0.2035 0.0175 0.0004 0.0445 845 LEU A CD2 6178 N N . PRO A 823 ? 0.1688 0.2190 0.2578 0.0038 0.0067 0.0371 846 PRO A N 6179 C CA . PRO A 823 ? 0.1609 0.2254 0.2480 0.0026 0.0060 0.0273 846 PRO A CA 6180 C C . PRO A 823 ? 0.1925 0.2696 0.2732 0.0107 0.0021 0.0224 846 PRO A C 6181 O O . PRO A 823 ? 0.1891 0.2585 0.2628 0.0200 0.0012 0.0243 846 PRO A O 6182 C CB . PRO A 823 ? 0.1425 0.1995 0.2283 0.0050 0.0082 0.0238 846 PRO A CB 6183 C CG . PRO A 823 ? 0.1435 0.1811 0.2317 0.0066 0.0111 0.0324 846 PRO A CG 6184 C CD . PRO A 823 ? 0.1699 0.2066 0.2581 0.0091 0.0090 0.0390 846 PRO A CD 6185 N N . ILE A 824 ? 0.1441 0.2402 0.2268 0.0075 0.0005 0.0156 847 ILE A N 6186 C CA . ILE A 824 ? 0.1634 0.2729 0.2408 0.0165 -0.0032 0.0102 847 ILE A CA 6187 C C . ILE A 824 ? 0.2519 0.3838 0.3321 0.0164 -0.0051 -0.0018 847 ILE A C 6188 O O . ILE A 824 ? 0.2428 0.3859 0.3310 0.0050 -0.0028 -0.0062 847 ILE A O 6189 C CB . ILE A 824 ? 0.2190 0.3334 0.2971 0.0143 -0.0037 0.0131 847 ILE A CB 6190 C CG1 . ILE A 824 ? 0.1741 0.2691 0.2495 0.0149 -0.0028 0.0236 847 ILE A CG1 6191 C CG2 . ILE A 824 ? 0.1761 0.3063 0.2493 0.0246 -0.0072 0.0057 847 ILE A CG2 6192 C CD1 . ILE A 824 ? 0.2013 0.3002 0.2768 0.0109 -0.0032 0.0264 847 ILE A CD1 6193 N N . PHE A 825 ? 0.2936 0.4316 0.3665 0.0290 -0.0091 -0.0072 848 PHE A N 6194 C CA . PHE A 825 ? 0.3298 0.4943 0.4054 0.0320 -0.0129 -0.0199 848 PHE A CA 6195 C C . PHE A 825 ? 0.4081 0.5902 0.4819 0.0419 -0.0170 -0.0248 848 PHE A C 6196 O O . PHE A 825 ? 0.5165 0.7263 0.5978 0.0410 -0.0193 -0.0359 848 PHE A O 6197 C CB . PHE A 825 ? 0.2797 0.4426 0.3471 0.0415 -0.0160 -0.0243 848 PHE A CB 6198 C CG . PHE A 825 ? 0.2388 0.3843 0.3064 0.0342 -0.0119 -0.0211 848 PHE A CG 6199 C CD1 . PHE A 825 ? 0.1983 0.3167 0.2593 0.0368 -0.0087 -0.0104 848 PHE A CD1 6200 C CD2 . PHE A 825 ? 0.3407 0.4977 0.4153 0.0249 -0.0109 -0.0299 848 PHE A CD2 6201 C CE1 . PHE A 825 ? 0.3098 0.4131 0.3715 0.0314 -0.0046 -0.0080 848 PHE A CE1 6202 C CE2 . PHE A 825 ? 0.3692 0.5087 0.4430 0.0191 -0.0066 -0.0275 848 PHE A CE2 6203 C CZ . PHE A 825 ? 0.3799 0.4926 0.4473 0.0231 -0.0036 -0.0163 848 PHE A CZ 6204 N N . ILE A 826 ? 0.3879 0.5555 0.4523 0.0514 -0.0175 -0.0177 849 ILE A N 6205 C CA . ILE A 826 ? 0.4814 0.6604 0.5397 0.0655 -0.0217 -0.0223 849 ILE A CA 6206 C C . ILE A 826 ? 0.4557 0.6626 0.5258 0.0600 -0.0218 -0.0305 849 ILE A C 6207 O O . ILE A 826 ? 0.4515 0.6787 0.5213 0.0713 -0.0260 -0.0391 849 ILE A O 6208 C CB . ILE A 826 ? 0.4597 0.6133 0.5054 0.0734 -0.0202 -0.0129 849 ILE A CB 6209 C CG1 . ILE A 826 ? 0.5278 0.6870 0.5628 0.0913 -0.0243 -0.0173 849 ILE A CG1 6210 C CG2 . ILE A 826 ? 0.3794 0.5281 0.4314 0.0617 -0.0162 -0.0072 849 ILE A CG2 6211 C CD1 . ILE A 826 ? 0.5161 0.6756 0.5391 0.1072 -0.0292 -0.0212 849 ILE A CD1 6212 N N . ASN A 827 ? 0.4859 0.6937 0.5654 0.0436 -0.0169 -0.0280 850 ASN A N 6213 C CA . ASN A 827 ? 0.4707 0.7040 0.5604 0.0368 -0.0154 -0.0359 850 ASN A CA 6214 C C . ASN A 827 ? 0.5553 0.8142 0.6571 0.0278 -0.0149 -0.0475 850 ASN A C 6215 O O . ASN A 827 ? 0.5741 0.8608 0.6854 0.0245 -0.0143 -0.0577 850 ASN A O 6216 C CB . ASN A 827 ? 0.3294 0.5502 0.4202 0.0238 -0.0101 -0.0276 850 ASN A CB 6217 C CG . ASN A 827 ? 0.3668 0.5635 0.4464 0.0314 -0.0107 -0.0174 850 ASN A CG 6218 O OD1 . ASN A 827 ? 0.2719 0.4706 0.3450 0.0445 -0.0132 -0.0199 850 ASN A OD1 6219 N ND2 . ASN A 827 ? 0.1905 0.3640 0.2678 0.0240 -0.0083 -0.0067 850 ASN A ND2 6220 N N . SER A 828 ? 0.4959 0.7461 0.5978 0.0232 -0.0147 -0.0469 851 SER A N 6221 C CA . SER A 828 ? 0.6059 0.8802 0.7175 0.0171 -0.0153 -0.0597 851 SER A CA 6222 C C . SER A 828 ? 0.6068 0.8995 0.7151 0.0349 -0.0236 -0.0689 851 SER A C 6223 O O . SER A 828 ? 0.5839 0.9087 0.7024 0.0334 -0.0261 -0.0831 851 SER A O 6224 C CB . SER A 828 ? 0.6471 0.9026 0.7586 0.0054 -0.0113 -0.0558 851 SER A CB 6225 O OG . SER A 828 ? 0.6757 0.9169 0.7774 0.0170 -0.0154 -0.0529 851 SER A OG 6226 N N . VAL A 829 ? 0.6259 0.8990 0.7194 0.0516 -0.0277 -0.0612 852 VAL A N 6227 C CA . VAL A 829 ? 0.6727 0.9572 0.7578 0.0712 -0.0359 -0.0675 852 VAL A CA 6228 C C . VAL A 829 ? 0.7338 1.0115 0.8085 0.0882 -0.0385 -0.0631 852 VAL A C 6229 O O . VAL A 829 ? 0.7673 1.0675 0.8474 0.0933 -0.0404 -0.0709 852 VAL A O 6230 C CB . VAL A 829 ? 0.5858 0.8485 0.6577 0.0769 -0.0377 -0.0627 852 VAL A CB 6231 C CG1 . VAL A 829 ? 0.5287 0.7900 0.6091 0.0591 -0.0333 -0.0651 852 VAL A CG1 6232 C CG2 . VAL A 829 ? 0.5736 0.7988 0.6303 0.0831 -0.0348 -0.0477 852 VAL A CG2 # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.ndb_seq_num _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.hetero A 1 1 LEU 1 24 ? ? ? A . n A 1 2 LYS 2 25 ? ? ? A . n A 1 3 GLN 3 26 ? ? ? A . n A 1 4 SER 4 27 ? ? ? A . n A 1 5 LYS 5 28 ? ? ? A . n A 1 6 GLN 6 29 ? ? ? A . n A 1 7 PRO 7 30 ? ? ? A . n A 1 8 LEU 8 31 ? ? ? A . n A 1 9 GLU 9 32 ? ? ? A . n A 1 10 SER 10 33 ? ? ? A . n A 1 11 CYS 11 34 ? ? ? A . n A 1 12 ARG 12 35 ? ? ? A . n A 1 13 ASN 13 36 ? ? ? A . n A 1 14 ARG 14 37 ? ? ? A . n A 1 15 CYS 15 38 ? ? ? A . n A 1 16 ASN 16 39 ? ? ? A . n A 1 17 GLU 17 40 ? ? ? A . n A 1 18 THR 18 41 ? ? ? A . n A 1 19 PHE 19 42 ? ? ? A . n A 1 20 SER 20 43 ? ? ? A . n A 1 21 GLU 21 44 ? ? ? A . n A 1 22 GLU 22 45 ? ? ? A . n A 1 23 LEU 23 46 ? ? ? A . n A 1 24 SER 24 47 ? ? ? A . n A 1 25 TYR 25 48 ? ? ? A . n A 1 26 CYS 26 49 ? ? ? A . n A 1 27 SER 27 50 ? ? ? A . n A 1 28 CYS 28 51 ? ? ? A . n A 1 29 ASP 29 52 ? ? ? A . n A 1 30 ASN 30 53 ? ? ? A . n A 1 31 LYS 31 54 ? ? ? A . n A 1 32 CYS 32 55 ? ? ? A . n A 1 33 THR 33 56 ? ? ? A . n A 1 34 GLU 34 57 ? ? ? A . n A 1 35 ARG 35 58 ? ? ? A . n A 1 36 LYS 36 59 ? ? ? A . n A 1 37 ALA 37 60 ? ? ? A . n A 1 38 CYS 38 61 ? ? ? A . n A 1 39 CYS 39 62 ? ? ? A . n A 1 40 TRP 40 63 ? ? ? A . n A 1 41 ASP 41 64 ? ? ? A . n A 1 42 TYR 42 65 65 TYR TYR A . n A 1 43 GLN 43 66 66 GLN GLN A . n A 1 44 ASP 44 67 67 ASP ASP A . n A 1 45 ILE 45 68 68 ILE ILE A . n A 1 46 CYS 46 69 69 CYS CYS A . n A 1 47 VAL 47 70 70 VAL VAL A . n A 1 48 LEU 48 71 71 LEU LEU A . n A 1 49 PRO 49 72 72 PRO PRO A . n A 1 50 THR 50 73 73 THR THR A . n A 1 51 GLN 51 74 74 GLN GLN A . n A 1 52 SER 52 75 75 SER SER A . n A 1 53 TRP 53 76 76 TRP TRP A . n A 1 54 SER 54 77 77 SER SER A . n A 1 55 CYS 55 78 78 CYS CYS A . n A 1 56 ASN 56 79 79 ASN ASN A . n A 1 57 LYS 57 80 80 LYS LYS A . n A 1 58 LEU 58 81 81 LEU LEU A . n A 1 59 ARG 59 82 82 ARG ARG A . n A 1 60 CYS 60 83 83 CYS CYS A . n A 1 61 GLY 61 84 84 GLY GLY A . n A 1 62 GLU 62 85 85 GLU GLU A . n A 1 63 LYS 63 86 86 LYS LYS A . n A 1 64 ARG 64 87 87 ARG ARG A . n A 1 65 MET 65 88 88 MET MET A . n A 1 66 ALA 66 89 89 ALA ALA A . n A 1 67 ASN 67 90 90 ASN ASN A . n A 1 68 VAL 68 91 91 VAL VAL A . n A 1 69 LEU 69 92 92 LEU LEU A . n A 1 70 CYS 70 93 93 CYS CYS A . n A 1 71 SER 71 94 94 SER SER A . n A 1 72 CYS 72 95 95 CYS CYS A . n A 1 73 SER 73 96 96 SER SER A . n A 1 74 GLU 74 97 97 GLU GLU A . n A 1 75 ASP 75 98 98 ASP ASP A . n A 1 76 CYS 76 99 99 CYS CYS A . n A 1 77 LEU 77 100 100 LEU LEU A . n A 1 78 THR 78 101 101 THR THR A . n A 1 79 LYS 79 102 102 LYS LYS A . n A 1 80 LYS 80 103 103 LYS LYS A . n A 1 81 ASP 81 104 104 ASP ASP A . n A 1 82 CYS 82 105 105 CYS CYS A . n A 1 83 CYS 83 106 106 CYS CYS A . n A 1 84 THR 84 107 107 THR THR A . n A 1 85 ASP 85 108 108 ASP ASP A . n A 1 86 TYR 86 109 109 TYR TYR A . n A 1 87 LYS 87 110 110 LYS LYS A . n A 1 88 SER 88 111 111 SER SER A . n A 1 89 ILE 89 112 112 ILE ILE A . n A 1 90 CYS 90 113 113 CYS CYS A . n A 1 91 LYS 91 114 114 LYS LYS A . n A 1 92 ARG 92 115 115 ARG ARG A . n A 1 93 GLU 93 116 116 GLU GLU A . n A 1 94 THR 94 117 117 THR THR A . n A 1 95 SER 95 118 118 SER SER A . n A 1 96 TRP 96 119 119 TRP TRP A . n A 1 97 LEU 97 120 120 LEU LEU A . n A 1 98 LYS 98 121 121 LYS LYS A . n A 1 99 ASP 99 122 122 ASP ASP A . n A 1 100 GLN 100 123 123 GLN GLN A . n A 1 101 CYS 101 124 124 CYS CYS A . n A 1 102 ALA 102 125 125 ALA ALA A . n A 1 103 SER 103 126 ? ? ? A . n A 1 104 SER 104 127 ? ? ? A . n A 1 105 SER 105 128 ? ? ? A . n A 1 106 ALA 106 129 ? ? ? A . n A 1 107 SER 107 130 130 SER SER A . n A 1 108 GLN 108 131 131 GLN GLN A . n A 1 109 CYS 109 132 132 CYS CYS A . n A 1 110 PRO 110 133 133 PRO PRO A . n A 1 111 GLU 111 134 134 GLU GLU A . n A 1 112 GLY 112 135 135 GLY GLY A . n A 1 113 PHE 113 136 136 PHE PHE A . n A 1 114 ASP 114 137 137 ASP ASP A . n A 1 115 GLN 115 138 138 GLN GLN A . n A 1 116 SER 116 139 139 SER SER A . n A 1 117 PRO 117 140 140 PRO PRO A . n A 1 118 LEU 118 141 141 LEU LEU A . n A 1 119 ILE 119 142 142 ILE ILE A . n A 1 120 LEU 120 143 143 LEU LEU A . n A 1 121 PHE 121 144 144 PHE PHE A . n A 1 122 SER 122 145 145 SER SER A . n A 1 123 MET 123 146 146 MET MET A . n A 1 124 ASP 124 147 147 ASP ASP A . n A 1 125 GLY 125 148 148 GLY GLY A . n A 1 126 PHE 126 149 149 PHE PHE A . n A 1 127 ARG 127 150 150 ARG ARG A . n A 1 128 ALA 128 151 151 ALA ALA A . n A 1 129 GLU 129 152 152 GLU GLU A . n A 1 130 TYR 130 153 153 TYR TYR A . n A 1 131 LEU 131 154 154 LEU LEU A . n A 1 132 GLU 132 155 155 GLU GLU A . n A 1 133 THR 133 156 156 THR THR A . n A 1 134 TRP 134 157 157 TRP TRP A . n A 1 135 ASP 135 158 158 ASP ASP A . n A 1 136 THR 136 159 159 THR THR A . n A 1 137 LEU 137 160 160 LEU LEU A . n A 1 138 MET 138 161 161 MET MET A . n A 1 139 PRO 139 162 162 PRO PRO A . n A 1 140 ASN 140 163 163 ASN ASN A . n A 1 141 ILE 141 164 164 ILE ILE A . n A 1 142 ASN 142 165 165 ASN ASN A . n A 1 143 LYS 143 166 166 LYS LYS A . n A 1 144 LEU 144 167 167 LEU LEU A . n A 1 145 LYS 145 168 168 LYS LYS A . n A 1 146 THR 146 169 169 THR THR A . n A 1 147 CYS 147 170 170 CYS CYS A . n A 1 148 GLY 148 171 171 GLY GLY A . n A 1 149 THR 149 172 172 THR THR A . n A 1 150 HIS 150 173 173 HIS HIS A . n A 1 151 ALA 151 174 174 ALA ALA A . n A 1 152 LYS 152 175 175 LYS LYS A . n A 1 153 TYR 153 176 176 TYR TYR A . n A 1 154 MET 154 177 177 MET MET A . n A 1 155 ARG 155 178 178 ARG ARG A . n A 1 156 ALA 156 179 179 ALA ALA A . n A 1 157 VAL 157 180 180 VAL VAL A . n A 1 158 TYR 158 181 181 TYR TYR A . n A 1 159 PRO 159 182 182 PRO PRO A . n A 1 160 THR 160 183 183 THR THR A . n A 1 161 LYS 161 184 184 LYS LYS A . n A 1 162 THR 162 185 185 THR THR A . n A 1 163 PHE 163 186 186 PHE PHE A . n A 1 164 VAL 164 187 187 VAL VAL A . n A 1 165 ASN 165 188 188 ASN ASN A . n A 1 166 HIS 166 189 189 HIS HIS A . n A 1 167 TYR 167 190 190 TYR TYR A . n A 1 168 THR 168 191 191 THR THR A . n A 1 169 ILE 169 192 192 ILE ILE A . n A 1 170 VAL 170 193 193 VAL VAL A . n A 1 171 THR 171 194 194 THR THR A . n A 1 172 GLY 172 195 195 GLY GLY A . n A 1 173 LEU 173 196 196 LEU LEU A . n A 1 174 TYR 174 197 197 TYR TYR A . n A 1 175 ALA 175 198 198 ALA ALA A . n A 1 176 GLU 176 199 199 GLU GLU A . n A 1 177 THR 177 200 200 THR THR A . n A 1 178 HIS 178 201 201 HIS HIS A . n A 1 179 GLY 179 202 202 GLY GLY A . n A 1 180 ILE 180 203 203 ILE ILE A . n A 1 181 ILE 181 204 204 ILE ILE A . n A 1 182 ASP 182 205 205 ASP ASP A . n A 1 183 ASN 183 206 206 ASN ASN A . n A 1 184 ASN 184 207 207 ASN ASN A . n A 1 185 MET 185 208 208 MET MET A . n A 1 186 TYR 186 209 209 TYR TYR A . n A 1 187 ASP 187 210 210 ASP ASP A . n A 1 188 VAL 188 211 211 VAL VAL A . n A 1 189 LYS 189 212 212 LYS LYS A . n A 1 190 LEU 190 213 213 LEU LEU A . n A 1 191 ASN 191 214 214 ASN ASN A . n A 1 192 GLN 192 215 215 GLN GLN A . n A 1 193 ASN 193 216 216 ASN ASN A . n A 1 194 PHE 194 217 217 PHE PHE A . n A 1 195 SER 195 218 218 SER SER A . n A 1 196 LEU 196 219 219 LEU LEU A . n A 1 197 SER 197 220 220 SER SER A . n A 1 198 GLY 198 221 221 GLY GLY A . n A 1 199 SER 199 222 222 SER SER A . n A 1 200 ASN 200 223 223 ASN ASN A . n A 1 201 MET 201 224 224 MET MET A . n A 1 202 ARG 202 225 225 ARG ARG A . n A 1 203 ASN 203 226 226 ASN ASN A . n A 1 204 ALA 204 227 227 ALA ALA A . n A 1 205 ALA 205 228 228 ALA ALA A . n A 1 206 TRP 206 229 229 TRP TRP A . n A 1 207 TRP 207 230 230 TRP TRP A . n A 1 208 GLY 208 231 231 GLY GLY A . n A 1 209 GLY 209 232 232 GLY GLY A . n A 1 210 GLN 210 233 233 GLN GLN A . n A 1 211 PRO 211 234 234 PRO PRO A . n A 1 212 ILE 212 235 235 ILE ILE A . n A 1 213 TRP 213 236 236 TRP TRP A . n A 1 214 HIS 214 237 237 HIS HIS A . n A 1 215 THR 215 238 238 THR THR A . n A 1 216 ALA 216 239 239 ALA ALA A . n A 1 217 SER 217 240 240 SER SER A . n A 1 218 TYR 218 241 241 TYR TYR A . n A 1 219 GLN 219 242 242 GLN GLN A . n A 1 220 GLY 220 243 243 GLY GLY A . n A 1 221 LEU 221 244 244 LEU LEU A . n A 1 222 LYS 222 245 245 LYS LYS A . n A 1 223 ALA 223 246 246 ALA ALA A . n A 1 224 ALA 224 247 247 ALA ALA A . n A 1 225 THR 225 248 248 THR THR A . n A 1 226 TYR 226 249 249 TYR TYR A . n A 1 227 PHE 227 250 250 PHE PHE A . n A 1 228 TRP 228 251 251 TRP TRP A . n A 1 229 PRO 229 252 252 PRO PRO A . n A 1 230 GLY 230 253 253 GLY GLY A . n A 1 231 SER 231 254 254 SER SER A . n A 1 232 GLU 232 255 255 GLU GLU A . n A 1 233 VAL 233 256 256 VAL VAL A . n A 1 234 LYS 234 257 257 LYS LYS A . n A 1 235 ILE 235 258 258 ILE ILE A . n A 1 236 ASN 236 259 259 ASN ASN A . n A 1 237 GLY 237 260 260 GLY GLY A . n A 1 238 SER 238 261 261 SER SER A . n A 1 239 TYR 239 262 262 TYR TYR A . n A 1 240 PRO 240 263 263 PRO PRO A . n A 1 241 THR 241 264 264 THR THR A . n A 1 242 ILE 242 265 265 ILE ILE A . n A 1 243 TYR 243 266 266 TYR TYR A . n A 1 244 LYS 244 267 267 LYS LYS A . n A 1 245 VAL 245 268 268 VAL VAL A . n A 1 246 TYR 246 269 269 TYR TYR A . n A 1 247 ASN 247 270 270 ASN ASN A . n A 1 248 LYS 248 271 271 LYS LYS A . n A 1 249 SER 249 272 272 SER SER A . n A 1 250 THR 250 273 273 THR THR A . n A 1 251 PRO 251 274 274 PRO PRO A . n A 1 252 PHE 252 275 275 PHE PHE A . n A 1 253 GLU 253 276 276 GLU GLU A . n A 1 254 ALA 254 277 277 ALA ALA A . n A 1 255 ARG 255 278 278 ARG ARG A . n A 1 256 VAL 256 279 279 VAL VAL A . n A 1 257 MET 257 280 280 MET MET A . n A 1 258 GLU 258 281 281 GLU GLU A . n A 1 259 VAL 259 282 282 VAL VAL A . n A 1 260 LEU 260 283 283 LEU LEU A . n A 1 261 LYS 261 284 284 LYS LYS A . n A 1 262 TRP 262 285 285 TRP TRP A . n A 1 263 LEU 263 286 286 LEU LEU A . n A 1 264 ASP 264 287 287 ASP ASP A . n A 1 265 LEU 265 288 288 LEU LEU A . n A 1 266 PRO 266 289 289 PRO PRO A . n A 1 267 LYS 267 290 290 LYS LYS A . n A 1 268 ALA 268 291 291 ALA ALA A . n A 1 269 LYS 269 292 292 LYS LYS A . n A 1 270 ARG 270 293 293 ARG ARG A . n A 1 271 PRO 271 294 294 PRO PRO A . n A 1 272 ASP 272 295 295 ASP ASP A . n A 1 273 PHE 273 296 296 PHE PHE A . n A 1 274 SER 274 297 297 SER SER A . n A 1 275 THR 275 298 298 THR THR A . n A 1 276 LEU 276 299 299 LEU LEU A . n A 1 277 TYR 277 300 300 TYR TYR A . n A 1 278 ILE 278 301 301 ILE ILE A . n A 1 279 GLU 279 302 302 GLU GLU A . n A 1 280 GLU 280 303 303 GLU GLU A . n A 1 281 PRO 281 304 304 PRO PRO A . n A 1 282 ASP 282 305 305 ASP ASP A . n A 1 283 THR 283 306 306 THR THR A . n A 1 284 THR 284 307 307 THR THR A . n A 1 285 GLY 285 308 308 GLY GLY A . n A 1 286 HIS 286 309 309 HIS HIS A . n A 1 287 LYS 287 310 310 LYS LYS A . n A 1 288 PHE 288 311 311 PHE PHE A . n A 1 289 GLY 289 312 312 GLY GLY A . n A 1 290 PRO 290 313 313 PRO PRO A . n A 1 291 VAL 291 314 314 VAL VAL A . n A 1 292 SER 292 315 315 SER SER A . n A 1 293 GLY 293 316 316 GLY GLY A . n A 1 294 GLN 294 317 317 GLN GLN A . n A 1 295 VAL 295 318 318 VAL VAL A . n A 1 296 ILE 296 319 319 ILE ILE A . n A 1 297 LYS 297 320 320 LYS LYS A . n A 1 298 SER 298 321 321 SER SER A . n A 1 299 LEU 299 322 322 LEU LEU A . n A 1 300 GLN 300 323 323 GLN GLN A . n A 1 301 MET 301 324 324 MET MET A . n A 1 302 ALA 302 325 325 ALA ALA A . n A 1 303 ASP 303 326 326 ASP ASP A . n A 1 304 ARG 304 327 327 ARG ARG A . n A 1 305 THR 305 328 328 THR THR A . n A 1 306 LEU 306 329 329 LEU LEU A . n A 1 307 GLY 307 330 330 GLY GLY A . n A 1 308 MET 308 331 331 MET MET A . n A 1 309 LEU 309 332 332 LEU LEU A . n A 1 310 MET 310 333 333 MET MET A . n A 1 311 GLU 311 334 334 GLU GLU A . n A 1 312 GLY 312 335 335 GLY GLY A . n A 1 313 LEU 313 336 336 LEU LEU A . n A 1 314 LYS 314 337 337 LYS LYS A . n A 1 315 GLN 315 338 338 GLN GLN A . n A 1 316 ARG 316 339 339 ARG ARG A . n A 1 317 ASN 317 340 340 ASN ASN A . n A 1 318 LEU 318 341 341 LEU LEU A . n A 1 319 HIS 319 342 342 HIS HIS A . n A 1 320 ASN 320 343 343 ASN ASN A . n A 1 321 CYS 321 344 344 CYS CYS A . n A 1 322 VAL 322 345 345 VAL VAL A . n A 1 323 ASN 323 346 346 ASN ASN A . n A 1 324 LEU 324 347 347 LEU LEU A . n A 1 325 ILE 325 348 348 ILE ILE A . n A 1 326 LEU 326 349 349 LEU LEU A . n A 1 327 LEU 327 350 350 LEU LEU A . n A 1 328 ALA 328 351 351 ALA ALA A . n A 1 329 ASP 329 352 352 ASP ASP A . n A 1 330 HIS 330 353 353 HIS HIS A . n A 1 331 GLY 331 354 354 GLY GLY A . n A 1 332 MET 332 355 355 MET MET A . n A 1 333 GLU 333 356 356 GLU GLU A . n A 1 334 ALA 334 357 357 ALA ALA A . n A 1 335 ILE 335 358 358 ILE ILE A . n A 1 336 SER 336 359 359 SER SER A . n A 1 337 CYS 337 360 360 CYS CYS A . n A 1 338 ASN 338 361 361 ASN ASN A . n A 1 339 ARG 339 362 362 ARG ARG A . n A 1 340 LEU 340 363 363 LEU LEU A . n A 1 341 GLU 341 364 364 GLU GLU A . n A 1 342 TYR 342 365 365 TYR TYR A . n A 1 343 MET 343 366 366 MET MET A . n A 1 344 THR 344 367 367 THR THR A . n A 1 345 ASP 345 368 368 ASP ASP A . n A 1 346 TYR 346 369 369 TYR TYR A . n A 1 347 PHE 347 370 370 PHE PHE A . n A 1 348 ASN 348 371 371 ASN ASN A . n A 1 349 THR 349 372 372 THR THR A . n A 1 350 VAL 350 373 373 VAL VAL A . n A 1 351 ASP 351 374 374 ASP ASP A . n A 1 352 PHE 352 375 375 PHE PHE A . n A 1 353 PHE 353 376 376 PHE PHE A . n A 1 354 MET 354 377 377 MET MET A . n A 1 355 TYR 355 378 378 TYR TYR A . n A 1 356 GLU 356 379 379 GLU GLU A . n A 1 357 GLY 357 380 380 GLY GLY A . n A 1 358 ALA 358 381 381 ALA ALA A . n A 1 359 ALA 359 382 382 ALA ALA A . n A 1 360 PRO 360 383 383 PRO PRO A . n A 1 361 ARG 361 384 384 ARG ARG A . n A 1 362 ILE 362 385 385 ILE ILE A . n A 1 363 ARG 363 386 386 ARG ARG A . n A 1 364 SER 364 387 387 SER SER A . n A 1 365 LYS 365 388 388 LYS LYS A . n A 1 366 ASN 366 389 389 ASN ASN A . n A 1 367 VAL 367 390 390 VAL VAL A . n A 1 368 PRO 368 391 391 PRO PRO A . n A 1 369 LYS 369 392 392 LYS LYS A . n A 1 370 ASP 370 393 393 ASP ASP A . n A 1 371 PHE 371 394 394 PHE PHE A . n A 1 372 TYR 372 395 395 TYR TYR A . n A 1 373 THR 373 396 396 THR THR A . n A 1 374 PHE 374 397 397 PHE PHE A . n A 1 375 ASP 375 398 398 ASP ASP A . n A 1 376 SER 376 399 399 SER SER A . n A 1 377 GLU 377 400 400 GLU GLU A . n A 1 378 ALA 378 401 401 ALA ALA A . n A 1 379 ILE 379 402 402 ILE ILE A . n A 1 380 VAL 380 403 403 VAL VAL A . n A 1 381 LYS 381 404 404 LYS LYS A . n A 1 382 LYS 382 405 405 LYS LYS A . n A 1 383 LEU 383 406 406 LEU LEU A . n A 1 384 THR 384 407 407 THR THR A . n A 1 385 CYS 385 408 408 CYS CYS A . n A 1 386 ARG 386 409 409 ARG ARG A . n A 1 387 LYS 387 410 410 LYS LYS A . n A 1 388 PRO 388 411 411 PRO PRO A . n A 1 389 LYS 389 412 412 LYS LYS A . n A 1 390 GLN 390 413 413 GLN GLN A . n A 1 391 HIS 391 414 414 HIS HIS A . n A 1 392 PHE 392 415 415 PHE PHE A . n A 1 393 LYS 393 416 416 LYS LYS A . n A 1 394 ALA 394 417 417 ALA ALA A . n A 1 395 TYR 395 418 418 TYR TYR A . n A 1 396 LEU 396 419 419 LEU LEU A . n A 1 397 ALA 397 420 420 ALA ALA A . n A 1 398 LYS 398 421 421 LYS LYS A . n A 1 399 ASP 399 422 422 ASP ASP A . n A 1 400 LEU 400 423 423 LEU LEU A . n A 1 401 PRO 401 424 424 PRO PRO A . n A 1 402 LYS 402 425 425 LYS LYS A . n A 1 403 ARG 403 426 426 ARG ARG A . n A 1 404 LEU 404 427 427 LEU LEU A . n A 1 405 HIS 405 428 428 HIS HIS A . n A 1 406 PHE 406 429 429 PHE PHE A . n A 1 407 ALA 407 430 430 ALA ALA A . n A 1 408 ASN 408 431 431 ASN ASN A . n A 1 409 ASN 409 432 432 ASN ASN A . n A 1 410 ILE 410 433 433 ILE ILE A . n A 1 411 ARG 411 434 434 ARG ARG A . n A 1 412 ILE 412 435 435 ILE ILE A . n A 1 413 ASP 413 436 436 ASP ASP A . n A 1 414 LYS 414 437 437 LYS LYS A . n A 1 415 VAL 415 438 438 VAL VAL A . n A 1 416 ASN 416 439 439 ASN ASN A . n A 1 417 LEU 417 440 440 LEU LEU A . n A 1 418 MET 418 441 441 MET MET A . n A 1 419 VAL 419 442 442 VAL VAL A . n A 1 420 ASP 420 443 443 ASP ASP A . n A 1 421 ARG 421 444 444 ARG ARG A . n A 1 422 GLN 422 445 445 GLN GLN A . n A 1 423 TRP 423 446 446 TRP TRP A . n A 1 424 LEU 424 447 447 LEU LEU A . n A 1 425 ALA 425 448 448 ALA ALA A . n A 1 426 VAL 426 449 449 VAL VAL A . n A 1 427 ARG 427 450 450 ARG ARG A . n A 1 428 ASN 428 451 451 ASN ASN A . n A 1 429 LYS 429 452 452 LYS LYS A . n A 1 430 LYS 430 453 453 LYS LYS A . n A 1 431 TYR 431 454 454 TYR TYR A . n A 1 432 LYS 432 455 455 LYS LYS A . n A 1 433 TYR 433 456 456 TYR TYR A . n A 1 434 CYS 434 457 457 CYS CYS A . n A 1 435 SER 435 458 458 SER SER A . n A 1 436 GLY 436 459 459 GLY GLY A . n A 1 437 GLY 437 460 460 GLY GLY A . n A 1 438 THR 438 461 461 THR THR A . n A 1 439 HIS 439 462 462 HIS HIS A . n A 1 440 GLY 440 463 463 GLY GLY A . n A 1 441 TYR 441 464 464 TYR TYR A . n A 1 442 ASP 442 465 465 ASP ASP A . n A 1 443 ASN 443 466 466 ASN ASN A . n A 1 444 GLU 444 467 467 GLU GLU A . n A 1 445 PHE 445 468 468 PHE PHE A . n A 1 446 LYS 446 469 469 LYS LYS A . n A 1 447 SER 447 470 470 SER SER A . n A 1 448 MET 448 471 471 MET MET A . n A 1 449 GLU 449 472 472 GLU GLU A . n A 1 450 ALA 450 473 473 ALA ALA A . n A 1 451 ILE 451 474 474 ILE ILE A . n A 1 452 PHE 452 475 475 PHE PHE A . n A 1 453 LEU 453 476 476 LEU LEU A . n A 1 454 ALA 454 477 477 ALA ALA A . n A 1 455 HIS 455 478 478 HIS HIS A . n A 1 456 GLY 456 479 479 GLY GLY A . n A 1 457 PRO 457 480 480 PRO PRO A . n A 1 458 GLY 458 481 481 GLY GLY A . n A 1 459 PHE 459 482 482 PHE PHE A . n A 1 460 LYS 460 483 483 LYS LYS A . n A 1 461 GLU 461 484 484 GLU GLU A . n A 1 462 LYS 462 485 485 LYS LYS A . n A 1 463 THR 463 486 486 THR THR A . n A 1 464 GLU 464 487 487 GLU GLU A . n A 1 465 VAL 465 488 488 VAL VAL A . n A 1 466 THR 466 489 489 THR THR A . n A 1 467 SER 467 490 490 SER SER A . n A 1 468 PHE 468 491 491 PHE PHE A . n A 1 469 GLU 469 492 492 GLU GLU A . n A 1 470 ASN 470 493 493 ASN ASN A . n A 1 471 ILE 471 494 494 ILE ILE A . n A 1 472 GLU 472 495 495 GLU GLU A . n A 1 473 VAL 473 496 496 VAL VAL A . n A 1 474 TYR 474 497 497 TYR TYR A . n A 1 475 ASN 475 498 498 ASN ASN A . n A 1 476 LEU 476 499 499 LEU LEU A . n A 1 477 MET 477 500 500 MET MET A . n A 1 478 CYS 478 501 501 CYS CYS A . n A 1 479 ASP 479 502 502 ASP ASP A . n A 1 480 LEU 480 503 503 LEU LEU A . n A 1 481 LEU 481 504 504 LEU LEU A . n A 1 482 LYS 482 505 505 LYS LYS A . n A 1 483 LEU 483 506 506 LEU LEU A . n A 1 484 LYS 484 507 507 LYS LYS A . n A 1 485 PRO 485 508 508 PRO PRO A . n A 1 486 ALA 486 509 509 ALA ALA A . n A 1 487 PRO 487 510 510 PRO PRO A . n A 1 488 ASN 488 511 511 ASN ASN A . n A 1 489 ASN 489 512 512 ASN ASN A . n A 1 490 GLY 490 513 513 GLY GLY A . n A 1 491 THR 491 514 514 THR THR A . n A 1 492 HIS 492 515 515 HIS HIS A . n A 1 493 GLY 493 516 516 GLY GLY A . n A 1 494 SER 494 517 517 SER SER A . n A 1 495 LEU 495 518 518 LEU LEU A . n A 1 496 ASN 496 519 519 ASN ASN A . n A 1 497 HIS 497 520 520 HIS HIS A . n A 1 498 LEU 498 521 521 LEU LEU A . n A 1 499 LEU 499 522 522 LEU LEU A . n A 1 500 LYS 500 523 523 LYS LYS A . n A 1 501 ASN 501 524 524 ASN ASN A . n A 1 502 PRO 502 525 525 PRO PRO A . n A 1 503 PHE 503 526 526 PHE PHE A . n A 1 504 TYR 504 527 527 TYR TYR A . n A 1 505 ASN 505 528 528 ASN ASN A . n A 1 506 PRO 506 529 529 PRO PRO A . n A 1 507 SER 507 530 530 SER SER A . n A 1 508 PRO 508 531 531 PRO PRO A . n A 1 509 ALA 509 532 532 ALA ALA A . n A 1 510 LYS 510 533 533 LYS LYS A . n A 1 511 GLU 511 534 534 GLU GLU A . n A 1 512 GLN 512 535 535 GLN GLN A . n A 1 513 SER 513 536 536 SER SER A . n A 1 514 PRO 514 537 537 PRO PRO A . n A 1 515 PRO 515 538 538 PRO PRO A . n A 1 516 LEU 516 539 539 LEU LEU A . n A 1 517 TYR 517 540 540 TYR TYR A . n A 1 518 CYS 518 541 541 CYS CYS A . n A 1 519 LEU 519 542 542 LEU LEU A . n A 1 520 PHE 520 543 543 PHE PHE A . n A 1 521 GLY 521 544 544 GLY GLY A . n A 1 522 PRO 522 545 545 PRO PRO A . n A 1 523 VAL 523 546 546 VAL VAL A . n A 1 524 PRO 524 547 547 PRO PRO A . n A 1 525 SER 525 548 548 SER SER A . n A 1 526 PRO 526 549 549 PRO PRO A . n A 1 527 ASP 527 550 550 ASP ASP A . n A 1 528 VAL 528 551 551 VAL VAL A . n A 1 529 SER 529 552 552 SER SER A . n A 1 530 GLY 530 553 553 GLY GLY A . n A 1 531 CYS 531 554 554 CYS CYS A . n A 1 532 LYS 532 555 555 LYS LYS A . n A 1 533 CYS 533 556 556 CYS CYS A . n A 1 534 SER 534 557 557 SER SER A . n A 1 535 SER 535 558 558 SER SER A . n A 1 536 ILE 536 559 559 ILE ILE A . n A 1 537 THR 537 560 560 THR THR A . n A 1 538 ASP 538 561 561 ASP ASP A . n A 1 539 LEU 539 562 562 LEU LEU A . n A 1 540 GLU 540 563 563 GLU GLU A . n A 1 541 ALA 541 564 564 ALA ALA A . n A 1 542 VAL 542 565 565 VAL VAL A . n A 1 543 ASN 543 566 566 ASN ASN A . n A 1 544 GLN 544 567 567 GLN GLN A . n A 1 545 ARG 545 568 568 ARG ARG A . n A 1 546 LEU 546 569 569 LEU LEU A . n A 1 547 ASN 547 570 570 ASN ASN A . n A 1 548 LEU 548 571 571 LEU LEU A . n A 1 549 ILE 549 572 572 ILE ILE A . n A 1 550 ASP 550 573 573 ASP ASP A . n A 1 551 GLN 551 574 574 GLN GLN A . n A 1 552 ALA 552 575 575 ALA ALA A . n A 1 553 LYS 553 576 576 LYS LYS A . n A 1 554 MET 554 577 577 MET MET A . n A 1 555 GLN 555 578 578 GLN GLN A . n A 1 556 SER 556 579 579 SER SER A . n A 1 557 GLU 557 580 580 GLU GLU A . n A 1 558 ALA 558 581 581 ALA ALA A . n A 1 559 ASP 559 582 582 ASP ASP A . n A 1 560 ASN 560 583 583 ASN ASN A . n A 1 561 LEU 561 584 584 LEU LEU A . n A 1 562 PRO 562 585 585 PRO PRO A . n A 1 563 TYR 563 586 586 TYR TYR A . n A 1 564 GLY 564 587 587 GLY GLY A . n A 1 565 ARG 565 588 588 ARG ARG A . n A 1 566 PRO 566 589 589 PRO PRO A . n A 1 567 HIS 567 590 590 HIS HIS A . n A 1 568 VAL 568 591 591 VAL VAL A . n A 1 569 LEU 569 592 592 LEU LEU A . n A 1 570 GLN 570 593 593 GLN GLN A . n A 1 571 HIS 571 594 594 HIS HIS A . n A 1 572 SER 572 595 595 SER SER A . n A 1 573 LYS 573 596 596 LYS LYS A . n A 1 574 TYR 574 597 597 TYR TYR A . n A 1 575 CYS 575 598 598 CYS CYS A . n A 1 576 LEU 576 599 599 LEU LEU A . n A 1 577 LEU 577 600 600 LEU LEU A . n A 1 578 HIS 578 601 601 HIS HIS A . n A 1 579 GLN 579 602 602 GLN GLN A . n A 1 580 THR 580 603 603 THR THR A . n A 1 581 LYS 581 604 604 LYS LYS A . n A 1 582 TYR 582 605 605 TYR TYR A . n A 1 583 ILE 583 606 606 ILE ILE A . n A 1 584 SER 584 607 607 SER SER A . n A 1 585 ALA 585 608 608 ALA ALA A . n A 1 586 TYR 586 609 609 TYR TYR A . n A 1 587 SER 587 610 610 SER SER A . n A 1 588 GLN 588 611 611 GLN GLN A . n A 1 589 ASP 589 612 612 ASP ASP A . n A 1 590 ILE 590 613 613 ILE ILE A . n A 1 591 LEU 591 614 614 LEU LEU A . n A 1 592 MET 592 615 615 MET MET A . n A 1 593 PRO 593 616 616 PRO PRO A . n A 1 594 LEU 594 617 617 LEU LEU A . n A 1 595 TRP 595 618 618 TRP TRP A . n A 1 596 ASN 596 619 619 ASN ASN A . n A 1 597 SER 597 620 620 SER SER A . n A 1 598 TYR 598 621 621 TYR TYR A . n A 1 599 THR 599 622 622 THR THR A . n A 1 600 ILE 600 623 623 ILE ILE A . n A 1 601 SER 601 624 624 SER SER A . n A 1 602 LYS 602 625 625 LYS LYS A . n A 1 603 SER 603 626 626 SER SER A . n A 1 604 LEU 604 627 627 LEU LEU A . n A 1 605 VAL 605 628 ? ? ? A . n A 1 606 LYS 606 629 ? ? ? A . n A 1 607 PRO 607 630 ? ? ? A . n A 1 608 THR 608 631 ? ? ? A . n A 1 609 SER 609 632 ? ? ? A . n A 1 610 ALA 610 633 ? ? ? A . n A 1 611 PRO 611 634 ? ? ? A . n A 1 612 PRO 612 635 635 PRO PRO A . n A 1 613 SER 613 636 636 SER SER A . n A 1 614 ALA 614 637 637 ALA ALA A . n A 1 615 SER 615 638 638 SER SER A . n A 1 616 ASP 616 639 639 ASP ASP A . n A 1 617 CYS 617 640 640 CYS CYS A . n A 1 618 LEU 618 641 641 LEU LEU A . n A 1 619 ARG 619 642 642 ARG ARG A . n A 1 620 LEU 620 643 643 LEU LEU A . n A 1 621 ASP 621 644 644 ASP ASP A . n A 1 622 VAL 622 645 645 VAL VAL A . n A 1 623 ARG 623 646 646 ARG ARG A . n A 1 624 ILE 624 647 647 ILE ILE A . n A 1 625 PRO 625 648 648 PRO PRO A . n A 1 626 THR 626 649 649 THR THR A . n A 1 627 VAL 627 650 650 VAL VAL A . n A 1 628 GLN 628 651 651 GLN GLN A . n A 1 629 SER 629 652 652 SER SER A . n A 1 630 GLN 630 653 653 GLN GLN A . n A 1 631 THR 631 654 654 THR THR A . n A 1 632 CYS 632 655 655 CYS CYS A . n A 1 633 SER 633 656 656 SER SER A . n A 1 634 ASN 634 657 657 ASN ASN A . n A 1 635 TYR 635 658 658 TYR TYR A . n A 1 636 GLN 636 659 659 GLN GLN A . n A 1 637 PRO 637 660 660 PRO PRO A . n A 1 638 ASP 638 661 661 ASP ASP A . n A 1 639 LEU 639 662 662 LEU LEU A . n A 1 640 ALA 640 663 663 ALA ALA A . n A 1 641 ILE 641 664 664 ILE ILE A . n A 1 642 THR 642 665 665 THR THR A . n A 1 643 PRO 643 666 666 PRO PRO A . n A 1 644 GLY 644 667 667 GLY GLY A . n A 1 645 PHE 645 668 668 PHE PHE A . n A 1 646 LEU 646 669 669 LEU LEU A . n A 1 647 TYR 647 670 670 TYR TYR A . n A 1 648 PRO 648 671 671 PRO PRO A . n A 1 649 PRO 649 672 672 PRO PRO A . n A 1 650 ASP 650 673 673 ASP ASP A . n A 1 651 PHE 651 674 674 PHE PHE A . n A 1 652 SER 652 675 675 SER SER A . n A 1 653 SER 653 676 676 SER SER A . n A 1 654 SER 654 677 677 SER SER A . n A 1 655 GLY 655 678 678 GLY GLY A . n A 1 656 PRO 656 679 679 PRO PRO A . n A 1 657 GLU 657 680 680 GLU GLU A . n A 1 658 GLN 658 681 681 GLN GLN A . n A 1 659 TYR 659 682 682 TYR TYR A . n A 1 660 ASP 660 683 683 ASP ASP A . n A 1 661 ALA 661 684 684 ALA ALA A . n A 1 662 LEU 662 685 685 LEU LEU A . n A 1 663 ILE 663 686 686 ILE ILE A . n A 1 664 THR 664 687 687 THR THR A . n A 1 665 SER 665 688 688 SER SER A . n A 1 666 ASN 666 689 689 ASN ASN A . n A 1 667 ILE 667 690 690 ILE ILE A . n A 1 668 VAL 668 691 691 VAL VAL A . n A 1 669 PRO 669 692 692 PRO PRO A . n A 1 670 MET 670 693 693 MET MET A . n A 1 671 TYR 671 694 694 TYR TYR A . n A 1 672 LYS 672 695 695 LYS LYS A . n A 1 673 GLU 673 696 696 GLU GLU A . n A 1 674 PHE 674 697 697 PHE PHE A . n A 1 675 ALA 675 698 698 ALA ALA A . n A 1 676 ARG 676 699 699 ARG ARG A . n A 1 677 LEU 677 700 700 LEU LEU A . n A 1 678 TRP 678 701 701 TRP TRP A . n A 1 679 ASN 679 702 702 ASN ASN A . n A 1 680 TYR 680 703 703 TYR TYR A . n A 1 681 PHE 681 704 704 PHE PHE A . n A 1 682 HIS 682 705 705 HIS HIS A . n A 1 683 SER 683 706 706 SER SER A . n A 1 684 THR 684 707 707 THR THR A . n A 1 685 LEU 685 708 708 LEU LEU A . n A 1 686 LEU 686 709 709 LEU LEU A . n A 1 687 PRO 687 710 710 PRO PRO A . n A 1 688 LYS 688 711 711 LYS LYS A . n A 1 689 TYR 689 712 712 TYR TYR A . n A 1 690 ALA 690 713 713 ALA ALA A . n A 1 691 THR 691 714 714 THR THR A . n A 1 692 GLU 692 715 715 GLU GLU A . n A 1 693 ARG 693 716 716 ARG ARG A . n A 1 694 ASN 694 717 717 ASN ASN A . n A 1 695 GLY 695 718 718 GLY GLY A . n A 1 696 LEU 696 719 719 LEU LEU A . n A 1 697 ASN 697 720 720 ASN ASN A . n A 1 698 VAL 698 721 721 VAL VAL A . n A 1 699 ILE 699 722 722 ILE ILE A . n A 1 700 SER 700 723 723 SER SER A . n A 1 701 GLY 701 724 724 GLY GLY A . n A 1 702 PRO 702 725 725 PRO PRO A . n A 1 703 ILE 703 726 726 ILE ILE A . n A 1 704 PHE 704 727 727 PHE PHE A . n A 1 705 ASP 705 728 728 ASP ASP A . n A 1 706 TYR 706 729 729 TYR TYR A . n A 1 707 ASN 707 730 730 ASN ASN A . n A 1 708 TYR 708 731 731 TYR TYR A . n A 1 709 ASP 709 732 732 ASP ASP A . n A 1 710 GLY 710 733 733 GLY GLY A . n A 1 711 HIS 711 734 734 HIS HIS A . n A 1 712 PHE 712 735 735 PHE PHE A . n A 1 713 ASP 713 736 736 ASP ASP A . n A 1 714 PRO 714 737 737 PRO PRO A . n A 1 715 TYR 715 738 738 TYR TYR A . n A 1 716 ASP 716 739 739 ASP ASP A . n A 1 717 THR 717 740 740 THR THR A . n A 1 718 ILE 718 741 741 ILE ILE A . n A 1 719 ASP 719 742 742 ASP ASP A . n A 1 720 GLN 720 743 743 GLN GLN A . n A 1 721 TYR 721 744 744 TYR TYR A . n A 1 722 VAL 722 745 745 VAL VAL A . n A 1 723 ASN 723 746 746 ASN ASN A . n A 1 724 ASN 724 747 747 ASN ASN A . n A 1 725 THR 725 748 748 THR THR A . n A 1 726 LYS 726 749 749 LYS LYS A . n A 1 727 ILE 727 750 750 ILE ILE A . n A 1 728 PRO 728 751 751 PRO PRO A . n A 1 729 ILE 729 752 752 ILE ILE A . n A 1 730 PRO 730 753 753 PRO PRO A . n A 1 731 THR 731 754 754 THR THR A . n A 1 732 HIS 732 755 755 HIS HIS A . n A 1 733 TYR 733 756 756 TYR TYR A . n A 1 734 PHE 734 757 757 PHE PHE A . n A 1 735 VAL 735 758 758 VAL VAL A . n A 1 736 VAL 736 759 759 VAL VAL A . n A 1 737 LEU 737 760 760 LEU LEU A . n A 1 738 THR 738 761 761 THR THR A . n A 1 739 SER 739 762 762 SER SER A . n A 1 740 CYS 740 763 763 CYS CYS A . n A 1 741 GLU 741 764 764 GLU GLU A . n A 1 742 ASN 742 765 765 ASN ASN A . n A 1 743 SER 743 766 766 SER SER A . n A 1 744 THR 744 767 767 THR THR A . n A 1 745 LYS 745 768 768 LYS LYS A . n A 1 746 THR 746 769 769 THR THR A . n A 1 747 PRO 747 770 770 PRO PRO A . n A 1 748 LEU 748 771 771 LEU LEU A . n A 1 749 ASN 749 772 772 ASN ASN A . n A 1 750 CYS 750 773 773 CYS CYS A . n A 1 751 PRO 751 774 774 PRO PRO A . n A 1 752 PRO 752 775 775 PRO PRO A . n A 1 753 GLY 753 776 776 GLY GLY A . n A 1 754 SER 754 777 777 SER SER A . n A 1 755 LEU 755 778 778 LEU LEU A . n A 1 756 LYS 756 779 779 LYS LYS A . n A 1 757 VAL 757 780 780 VAL VAL A . n A 1 758 LEU 758 781 781 LEU LEU A . n A 1 759 SER 759 782 782 SER SER A . n A 1 760 PHE 760 783 783 PHE PHE A . n A 1 761 ILE 761 784 784 ILE ILE A . n A 1 762 LEU 762 785 785 LEU LEU A . n A 1 763 PRO 763 786 786 PRO PRO A . n A 1 764 HIS 764 787 787 HIS HIS A . n A 1 765 ARG 765 788 788 ARG ARG A . n A 1 766 PRO 766 789 789 PRO PRO A . n A 1 767 ASP 767 790 790 ASP ASP A . n A 1 768 ASN 768 791 791 ASN ASN A . n A 1 769 SER 769 792 792 SER SER A . n A 1 770 GLU 770 793 793 GLU GLU A . n A 1 771 SER 771 794 794 SER SER A . n A 1 772 CYS 772 795 795 CYS CYS A . n A 1 773 ALA 773 796 796 ALA ALA A . n A 1 774 ASP 774 797 797 ASP ASP A . n A 1 775 LYS 775 798 798 LYS LYS A . n A 1 776 SER 776 799 799 SER SER A . n A 1 777 PRO 777 800 800 PRO PRO A . n A 1 778 ASP 778 801 801 ASP ASP A . n A 1 779 ASN 779 802 802 ASN ASN A . n A 1 780 LEU 780 803 803 LEU LEU A . n A 1 781 TRP 781 804 804 TRP TRP A . n A 1 782 VAL 782 805 805 VAL VAL A . n A 1 783 GLU 783 806 806 GLU GLU A . n A 1 784 GLU 784 807 807 GLU GLU A . n A 1 785 ARG 785 808 808 ARG ARG A . n A 1 786 MET 786 809 809 MET MET A . n A 1 787 GLN 787 810 810 GLN GLN A . n A 1 788 THR 788 811 811 THR THR A . n A 1 789 HIS 789 812 812 HIS HIS A . n A 1 790 THR 790 813 813 THR THR A . n A 1 791 ALA 791 814 814 ALA ALA A . n A 1 792 ARG 792 815 815 ARG ARG A . n A 1 793 VAL 793 816 816 VAL VAL A . n A 1 794 ARG 794 817 817 ARG ARG A . n A 1 795 ASP 795 818 818 ASP ASP A . n A 1 796 VAL 796 819 819 VAL VAL A . n A 1 797 GLU 797 820 820 GLU GLU A . n A 1 798 LEU 798 821 821 LEU LEU A . n A 1 799 LEU 799 822 822 LEU LEU A . n A 1 800 THR 800 823 823 THR THR A . n A 1 801 GLY 801 824 824 GLY GLY A . n A 1 802 LEU 802 825 825 LEU LEU A . n A 1 803 ASP 803 826 826 ASP ASP A . n A 1 804 PHE 804 827 827 PHE PHE A . n A 1 805 TYR 805 828 828 TYR TYR A . n A 1 806 SER 806 829 829 SER SER A . n A 1 807 ALA 807 830 830 ALA ALA A . n A 1 808 LEU 808 831 831 LEU LEU A . n A 1 809 LYS 809 832 832 LYS LYS A . n A 1 810 GLN 810 833 833 GLN GLN A . n A 1 811 PRO 811 834 834 PRO PRO A . n A 1 812 LEU 812 835 835 LEU LEU A . n A 1 813 SER 813 836 836 SER SER A . n A 1 814 GLU 814 837 837 GLU GLU A . n A 1 815 THR 815 838 838 THR THR A . n A 1 816 LEU 816 839 839 LEU LEU A . n A 1 817 ARG 817 840 840 ARG ARG A . n A 1 818 LEU 818 841 841 LEU LEU A . n A 1 819 LYS 819 842 842 LYS LYS A . n A 1 820 THR 820 843 843 THR THR A . n A 1 821 PHE 821 844 844 PHE PHE A . n A 1 822 LEU 822 845 845 LEU LEU A . n A 1 823 PRO 823 846 846 PRO PRO A . n A 1 824 ILE 824 847 847 ILE ILE A . n A 1 825 PHE 825 848 848 PHE PHE A . n A 1 826 ILE 826 849 849 ILE ILE A . n A 1 827 ASN 827 850 850 ASN ASN A . n A 1 828 SER 828 851 851 SER SER A . n A 1 829 VAL 829 852 852 VAL VAL A . n A 1 830 ASN 830 853 ? ? ? A . n # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code B 2 NAG 1 1001 1001 NAG NAG A . C 2 NAG 1 1002 1002 NAG NAG A . D 2 NAG 1 1003 1003 NAG NAG A . E 2 NAG 1 1004 1004 NAG NAG A . F 2 NAG 2 1005 1005 NAG NAG A . G 3 BMA 3 1006 1006 BMA BMA A . H 4 MAN 4 1007 1007 MAN MAN A . I 5 FUC 1 1008 1030 FUC FUC A . J 2 NAG 2 1009 1031 NAG NAG A . K 2 NAG 3 1010 1032 NAG NAG A . L 2 NAG 1 1011 1042 NAG NAG A . M 5 FUC 2 1012 1043 FUC FUC A . N 6 ZN 1 1013 1101 ZN ZN A . O 6 ZN 1 1014 1102 ZN ZN A . P 7 CA 1 1015 1103 CA CA A . Q 8 AMP 1 1016 1201 AMP AMP A . R 9 HOH 1 1101 313 HOH HOH A . R 9 HOH 2 1102 469 HOH HOH A . R 9 HOH 3 1103 656 HOH HOH A . R 9 HOH 4 1104 539 HOH HOH A . R 9 HOH 5 1105 306 HOH HOH A . R 9 HOH 6 1106 479 HOH HOH A . R 9 HOH 7 1107 626 HOH HOH A . R 9 HOH 8 1108 61 HOH HOH A . R 9 HOH 9 1109 62 HOH HOH A . R 9 HOH 10 1110 318 HOH HOH A . R 9 HOH 11 1111 576 HOH HOH A . R 9 HOH 12 1112 972 HOH HOH A . R 9 HOH 13 1113 380 HOH HOH A . R 9 HOH 14 1114 484 HOH HOH A . R 9 HOH 15 1115 824 HOH HOH A . R 9 HOH 16 1116 326 HOH HOH A . R 9 HOH 17 1117 282 HOH HOH A . R 9 HOH 18 1118 841 HOH HOH A . R 9 HOH 19 1119 447 HOH HOH A . R 9 HOH 20 1120 956 HOH HOH A . R 9 HOH 21 1121 425 HOH HOH A . R 9 HOH 22 1122 88 HOH HOH A . R 9 HOH 23 1123 826 HOH HOH A . R 9 HOH 24 1124 572 HOH HOH A . R 9 HOH 25 1125 524 HOH HOH A . R 9 HOH 26 1126 260 HOH HOH A . R 9 HOH 27 1127 491 HOH HOH A . R 9 HOH 28 1128 506 HOH HOH A . R 9 HOH 29 1129 197 HOH HOH A . R 9 HOH 30 1130 183 HOH HOH A . R 9 HOH 31 1131 424 HOH HOH A . R 9 HOH 32 1132 106 HOH HOH A . R 9 HOH 33 1133 746 HOH HOH A . R 9 HOH 34 1134 901 HOH HOH A . R 9 HOH 35 1135 579 HOH HOH A . R 9 HOH 36 1136 562 HOH HOH A . R 9 HOH 37 1137 437 HOH HOH A . R 9 HOH 38 1138 418 HOH HOH A . R 9 HOH 39 1139 628 HOH HOH A . R 9 HOH 40 1140 775 HOH HOH A . R 9 HOH 41 1141 556 HOH HOH A . R 9 HOH 42 1142 813 HOH HOH A . R 9 HOH 43 1143 142 HOH HOH A . R 9 HOH 44 1144 13 HOH HOH A . R 9 HOH 45 1145 548 HOH HOH A . R 9 HOH 46 1146 459 HOH HOH A . R 9 HOH 47 1147 103 HOH HOH A . R 9 HOH 48 1148 456 HOH HOH A . R 9 HOH 49 1149 727 HOH HOH A . R 9 HOH 50 1150 102 HOH HOH A . R 9 HOH 51 1151 493 HOH HOH A . R 9 HOH 52 1152 726 HOH HOH A . R 9 HOH 53 1153 475 HOH HOH A . R 9 HOH 54 1154 633 HOH HOH A . R 9 HOH 55 1155 649 HOH HOH A . R 9 HOH 56 1156 932 HOH HOH A . R 9 HOH 57 1157 698 HOH HOH A . R 9 HOH 58 1158 20 HOH HOH A . R 9 HOH 59 1159 58 HOH HOH A . R 9 HOH 60 1160 538 HOH HOH A . R 9 HOH 61 1161 692 HOH HOH A . R 9 HOH 62 1162 230 HOH HOH A . R 9 HOH 63 1163 494 HOH HOH A . R 9 HOH 64 1164 430 HOH HOH A . R 9 HOH 65 1165 567 HOH HOH A . R 9 HOH 66 1166 362 HOH HOH A . R 9 HOH 67 1167 512 HOH HOH A . R 9 HOH 68 1168 99 HOH HOH A . R 9 HOH 69 1169 449 HOH HOH A . R 9 HOH 70 1170 374 HOH HOH A . R 9 HOH 71 1171 496 HOH HOH A . R 9 HOH 72 1172 603 HOH HOH A . R 9 HOH 73 1173 476 HOH HOH A . R 9 HOH 74 1174 687 HOH HOH A . R 9 HOH 75 1175 852 HOH HOH A . R 9 HOH 76 1176 605 HOH HOH A . R 9 HOH 77 1177 127 HOH HOH A . R 9 HOH 78 1178 448 HOH HOH A . R 9 HOH 79 1179 804 HOH HOH A . R 9 HOH 80 1180 740 HOH HOH A . R 9 HOH 81 1181 458 HOH HOH A . R 9 HOH 82 1182 237 HOH HOH A . R 9 HOH 83 1183 66 HOH HOH A . R 9 HOH 84 1184 4 HOH HOH A . R 9 HOH 85 1185 305 HOH HOH A . R 9 HOH 86 1186 122 HOH HOH A . R 9 HOH 87 1187 31 HOH HOH A . R 9 HOH 88 1188 50 HOH HOH A . R 9 HOH 89 1189 532 HOH HOH A . R 9 HOH 90 1190 551 HOH HOH A . R 9 HOH 91 1191 94 HOH HOH A . R 9 HOH 92 1192 812 HOH HOH A . R 9 HOH 93 1193 107 HOH HOH A . R 9 HOH 94 1194 488 HOH HOH A . R 9 HOH 95 1195 609 HOH HOH A . R 9 HOH 96 1196 492 HOH HOH A . R 9 HOH 97 1197 132 HOH HOH A . R 9 HOH 98 1198 17 HOH HOH A . R 9 HOH 99 1199 105 HOH HOH A . R 9 HOH 100 1200 70 HOH HOH A . R 9 HOH 101 1201 766 HOH HOH A . R 9 HOH 102 1202 182 HOH HOH A . R 9 HOH 103 1203 185 HOH HOH A . R 9 HOH 104 1204 569 HOH HOH A . R 9 HOH 105 1205 76 HOH HOH A . R 9 HOH 106 1206 65 HOH HOH A . R 9 HOH 107 1207 1 HOH HOH A . R 9 HOH 108 1208 431 HOH HOH A . R 9 HOH 109 1209 625 HOH HOH A . R 9 HOH 110 1210 204 HOH HOH A . R 9 HOH 111 1211 830 HOH HOH A . R 9 HOH 112 1212 251 HOH HOH A . R 9 HOH 113 1213 86 HOH HOH A . R 9 HOH 114 1214 482 HOH HOH A . R 9 HOH 115 1215 120 HOH HOH A . R 9 HOH 116 1216 668 HOH HOH A . R 9 HOH 117 1217 570 HOH HOH A . R 9 HOH 118 1218 445 HOH HOH A . R 9 HOH 119 1219 228 HOH HOH A . R 9 HOH 120 1220 14 HOH HOH A . R 9 HOH 121 1221 848 HOH HOH A . R 9 HOH 122 1222 84 HOH HOH A . R 9 HOH 123 1223 293 HOH HOH A . R 9 HOH 124 1224 241 HOH HOH A . R 9 HOH 125 1225 745 HOH HOH A . R 9 HOH 126 1226 167 HOH HOH A . R 9 HOH 127 1227 905 HOH HOH A . R 9 HOH 128 1228 112 HOH HOH A . R 9 HOH 129 1229 64 HOH HOH A . R 9 HOH 130 1230 610 HOH HOH A . R 9 HOH 131 1231 963 HOH HOH A . R 9 HOH 132 1232 577 HOH HOH A . R 9 HOH 133 1233 207 HOH HOH A . R 9 HOH 134 1234 338 HOH HOH A . R 9 HOH 135 1235 137 HOH HOH A . R 9 HOH 136 1236 242 HOH HOH A . R 9 HOH 137 1237 164 HOH HOH A . R 9 HOH 138 1238 252 HOH HOH A . R 9 HOH 139 1239 414 HOH HOH A . R 9 HOH 140 1240 472 HOH HOH A . R 9 HOH 141 1241 192 HOH HOH A . R 9 HOH 142 1242 933 HOH HOH A . R 9 HOH 143 1243 428 HOH HOH A . R 9 HOH 144 1244 683 HOH HOH A . R 9 HOH 145 1245 22 HOH HOH A . R 9 HOH 146 1246 417 HOH HOH A . R 9 HOH 147 1247 46 HOH HOH A . R 9 HOH 148 1248 200 HOH HOH A . R 9 HOH 149 1249 138 HOH HOH A . R 9 HOH 150 1250 83 HOH HOH A . R 9 HOH 151 1251 534 HOH HOH A . R 9 HOH 152 1252 240 HOH HOH A . R 9 HOH 153 1253 389 HOH HOH A . R 9 HOH 154 1254 435 HOH HOH A . R 9 HOH 155 1255 473 HOH HOH A . R 9 HOH 156 1256 507 HOH HOH A . R 9 HOH 157 1257 148 HOH HOH A . R 9 HOH 158 1258 528 HOH HOH A . R 9 HOH 159 1259 829 HOH HOH A . R 9 HOH 160 1260 219 HOH HOH A . R 9 HOH 161 1261 462 HOH HOH A . R 9 HOH 162 1262 60 HOH HOH A . R 9 HOH 163 1263 268 HOH HOH A . R 9 HOH 164 1264 71 HOH HOH A . R 9 HOH 165 1265 426 HOH HOH A . R 9 HOH 166 1266 63 HOH HOH A . R 9 HOH 167 1267 859 HOH HOH A . R 9 HOH 168 1268 229 HOH HOH A . R 9 HOH 169 1269 951 HOH HOH A . R 9 HOH 170 1270 92 HOH HOH A . R 9 HOH 171 1271 42 HOH HOH A . R 9 HOH 172 1272 150 HOH HOH A . R 9 HOH 173 1273 15 HOH HOH A . R 9 HOH 174 1274 45 HOH HOH A . R 9 HOH 175 1275 126 HOH HOH A . R 9 HOH 176 1276 52 HOH HOH A . R 9 HOH 177 1277 202 HOH HOH A . R 9 HOH 178 1278 184 HOH HOH A . R 9 HOH 179 1279 152 HOH HOH A . R 9 HOH 180 1280 720 HOH HOH A . R 9 HOH 181 1281 304 HOH HOH A . R 9 HOH 182 1282 153 HOH HOH A . R 9 HOH 183 1283 37 HOH HOH A . R 9 HOH 184 1284 87 HOH HOH A . R 9 HOH 185 1285 139 HOH HOH A . R 9 HOH 186 1286 128 HOH HOH A . R 9 HOH 187 1287 155 HOH HOH A . R 9 HOH 188 1288 23 HOH HOH A . R 9 HOH 189 1289 18 HOH HOH A . R 9 HOH 190 1290 481 HOH HOH A . R 9 HOH 191 1291 774 HOH HOH A . R 9 HOH 192 1292 452 HOH HOH A . R 9 HOH 193 1293 147 HOH HOH A . R 9 HOH 194 1294 784 HOH HOH A . R 9 HOH 195 1295 441 HOH HOH A . R 9 HOH 196 1296 216 HOH HOH A . R 9 HOH 197 1297 642 HOH HOH A . R 9 HOH 198 1298 253 HOH HOH A . R 9 HOH 199 1299 68 HOH HOH A . R 9 HOH 200 1300 133 HOH HOH A . R 9 HOH 201 1301 618 HOH HOH A . R 9 HOH 202 1302 56 HOH HOH A . R 9 HOH 203 1303 141 HOH HOH A . R 9 HOH 204 1304 131 HOH HOH A . R 9 HOH 205 1305 597 HOH HOH A . R 9 HOH 206 1306 168 HOH HOH A . R 9 HOH 207 1307 51 HOH HOH A . R 9 HOH 208 1308 41 HOH HOH A . R 9 HOH 209 1309 28 HOH HOH A . R 9 HOH 210 1310 453 HOH HOH A . R 9 HOH 211 1311 180 HOH HOH A . R 9 HOH 212 1312 891 HOH HOH A . R 9 HOH 213 1313 73 HOH HOH A . R 9 HOH 214 1314 486 HOH HOH A . R 9 HOH 215 1315 236 HOH HOH A . R 9 HOH 216 1316 19 HOH HOH A . R 9 HOH 217 1317 409 HOH HOH A . R 9 HOH 218 1318 30 HOH HOH A . R 9 HOH 219 1319 140 HOH HOH A . R 9 HOH 220 1320 666 HOH HOH A . R 9 HOH 221 1321 55 HOH HOH A . R 9 HOH 222 1322 574 HOH HOH A . R 9 HOH 223 1323 21 HOH HOH A . R 9 HOH 224 1324 80 HOH HOH A . R 9 HOH 225 1325 624 HOH HOH A . R 9 HOH 226 1326 297 HOH HOH A . R 9 HOH 227 1327 464 HOH HOH A . R 9 HOH 228 1328 742 HOH HOH A . R 9 HOH 229 1329 616 HOH HOH A . R 9 HOH 230 1330 220 HOH HOH A . R 9 HOH 231 1331 156 HOH HOH A . R 9 HOH 232 1332 568 HOH HOH A . R 9 HOH 233 1333 109 HOH HOH A . R 9 HOH 234 1334 101 HOH HOH A . R 9 HOH 235 1335 470 HOH HOH A . R 9 HOH 236 1336 67 HOH HOH A . R 9 HOH 237 1337 596 HOH HOH A . R 9 HOH 238 1338 546 HOH HOH A . R 9 HOH 239 1339 964 HOH HOH A . R 9 HOH 240 1340 222 HOH HOH A . R 9 HOH 241 1341 198 HOH HOH A . R 9 HOH 242 1342 24 HOH HOH A . R 9 HOH 243 1343 163 HOH HOH A . R 9 HOH 244 1344 834 HOH HOH A . R 9 HOH 245 1345 39 HOH HOH A . R 9 HOH 246 1346 116 HOH HOH A . R 9 HOH 247 1347 145 HOH HOH A . R 9 HOH 248 1348 191 HOH HOH A . R 9 HOH 249 1349 29 HOH HOH A . R 9 HOH 250 1350 468 HOH HOH A . R 9 HOH 251 1351 96 HOH HOH A . R 9 HOH 252 1352 16 HOH HOH A . R 9 HOH 253 1353 115 HOH HOH A . R 9 HOH 254 1354 157 HOH HOH A . R 9 HOH 255 1355 474 HOH HOH A . R 9 HOH 256 1356 221 HOH HOH A . R 9 HOH 257 1357 90 HOH HOH A . R 9 HOH 258 1358 129 HOH HOH A . R 9 HOH 259 1359 653 HOH HOH A . R 9 HOH 260 1360 104 HOH HOH A . R 9 HOH 261 1361 508 HOH HOH A . R 9 HOH 262 1362 108 HOH HOH A . R 9 HOH 263 1363 40 HOH HOH A . R 9 HOH 264 1364 672 HOH HOH A . R 9 HOH 265 1365 509 HOH HOH A . R 9 HOH 266 1366 81 HOH HOH A . R 9 HOH 267 1367 853 HOH HOH A . R 9 HOH 268 1368 255 HOH HOH A . R 9 HOH 269 1369 244 HOH HOH A . R 9 HOH 270 1370 162 HOH HOH A . R 9 HOH 271 1371 34 HOH HOH A . R 9 HOH 272 1372 247 HOH HOH A . R 9 HOH 273 1373 165 HOH HOH A . R 9 HOH 274 1374 117 HOH HOH A . R 9 HOH 275 1375 502 HOH HOH A . R 9 HOH 276 1376 113 HOH HOH A . R 9 HOH 277 1377 896 HOH HOH A . R 9 HOH 278 1378 531 HOH HOH A . R 9 HOH 279 1379 480 HOH HOH A . R 9 HOH 280 1380 89 HOH HOH A . R 9 HOH 281 1381 855 HOH HOH A . R 9 HOH 282 1382 210 HOH HOH A . R 9 HOH 283 1383 171 HOH HOH A . R 9 HOH 284 1384 59 HOH HOH A . R 9 HOH 285 1385 438 HOH HOH A . R 9 HOH 286 1386 515 HOH HOH A . R 9 HOH 287 1387 226 HOH HOH A . R 9 HOH 288 1388 862 HOH HOH A . R 9 HOH 289 1389 239 HOH HOH A . R 9 HOH 290 1390 85 HOH HOH A . R 9 HOH 291 1391 457 HOH HOH A . R 9 HOH 292 1392 136 HOH HOH A . R 9 HOH 293 1393 172 HOH HOH A . R 9 HOH 294 1394 660 HOH HOH A . R 9 HOH 295 1395 44 HOH HOH A . R 9 HOH 296 1396 26 HOH HOH A . R 9 HOH 297 1397 443 HOH HOH A . R 9 HOH 298 1398 667 HOH HOH A . R 9 HOH 299 1399 100 HOH HOH A . R 9 HOH 300 1400 274 HOH HOH A . R 9 HOH 301 1401 217 HOH HOH A . R 9 HOH 302 1402 659 HOH HOH A . R 9 HOH 303 1403 250 HOH HOH A . R 9 HOH 304 1404 114 HOH HOH A . R 9 HOH 305 1405 594 HOH HOH A . R 9 HOH 306 1406 580 HOH HOH A . R 9 HOH 307 1407 254 HOH HOH A . R 9 HOH 308 1408 802 HOH HOH A . R 9 HOH 309 1409 43 HOH HOH A . R 9 HOH 310 1410 213 HOH HOH A . R 9 HOH 311 1411 664 HOH HOH A . R 9 HOH 312 1412 595 HOH HOH A . R 9 HOH 313 1413 894 HOH HOH A . R 9 HOH 314 1414 592 HOH HOH A . R 9 HOH 315 1415 135 HOH HOH A . R 9 HOH 316 1416 161 HOH HOH A . R 9 HOH 317 1417 218 HOH HOH A . R 9 HOH 318 1418 970 HOH HOH A . R 9 HOH 319 1419 49 HOH HOH A . R 9 HOH 320 1420 7 HOH HOH A . R 9 HOH 321 1421 190 HOH HOH A . R 9 HOH 322 1422 691 HOH HOH A . R 9 HOH 323 1423 234 HOH HOH A . R 9 HOH 324 1424 95 HOH HOH A . R 9 HOH 325 1425 767 HOH HOH A . R 9 HOH 326 1426 573 HOH HOH A . R 9 HOH 327 1427 166 HOH HOH A . R 9 HOH 328 1428 370 HOH HOH A . R 9 HOH 329 1429 564 HOH HOH A . R 9 HOH 330 1430 38 HOH HOH A . R 9 HOH 331 1431 516 HOH HOH A . R 9 HOH 332 1432 557 HOH HOH A . R 9 HOH 333 1433 181 HOH HOH A . R 9 HOH 334 1434 195 HOH HOH A . R 9 HOH 335 1435 235 HOH HOH A . R 9 HOH 336 1436 74 HOH HOH A . R 9 HOH 337 1437 11 HOH HOH A . R 9 HOH 338 1438 555 HOH HOH A . R 9 HOH 339 1439 77 HOH HOH A . R 9 HOH 340 1440 455 HOH HOH A . R 9 HOH 341 1441 79 HOH HOH A . R 9 HOH 342 1442 627 HOH HOH A . R 9 HOH 343 1443 149 HOH HOH A . R 9 HOH 344 1444 170 HOH HOH A . R 9 HOH 345 1445 201 HOH HOH A . R 9 HOH 346 1446 647 HOH HOH A . R 9 HOH 347 1447 711 HOH HOH A . R 9 HOH 348 1448 82 HOH HOH A . R 9 HOH 349 1449 382 HOH HOH A . R 9 HOH 350 1450 146 HOH HOH A . R 9 HOH 351 1451 483 HOH HOH A . R 9 HOH 352 1452 177 HOH HOH A . R 9 HOH 353 1453 47 HOH HOH A . R 9 HOH 354 1454 53 HOH HOH A . R 9 HOH 355 1455 525 HOH HOH A . R 9 HOH 356 1456 199 HOH HOH A . R 9 HOH 357 1457 246 HOH HOH A . R 9 HOH 358 1458 69 HOH HOH A . R 9 HOH 359 1459 143 HOH HOH A . R 9 HOH 360 1460 93 HOH HOH A . R 9 HOH 361 1461 635 HOH HOH A . R 9 HOH 362 1462 134 HOH HOH A . R 9 HOH 363 1463 499 HOH HOH A . R 9 HOH 364 1464 257 HOH HOH A . R 9 HOH 365 1465 194 HOH HOH A . R 9 HOH 366 1466 159 HOH HOH A . R 9 HOH 367 1467 245 HOH HOH A . R 9 HOH 368 1468 391 HOH HOH A . R 9 HOH 369 1469 54 HOH HOH A . R 9 HOH 370 1470 552 HOH HOH A . R 9 HOH 371 1471 602 HOH HOH A . R 9 HOH 372 1472 188 HOH HOH A . R 9 HOH 373 1473 75 HOH HOH A . R 9 HOH 374 1474 178 HOH HOH A . R 9 HOH 375 1475 533 HOH HOH A . R 9 HOH 376 1476 495 HOH HOH A . R 9 HOH 377 1477 27 HOH HOH A . R 9 HOH 378 1478 819 HOH HOH A . R 9 HOH 379 1479 205 HOH HOH A . R 9 HOH 380 1480 57 HOH HOH A . R 9 HOH 381 1481 72 HOH HOH A . R 9 HOH 382 1482 523 HOH HOH A . R 9 HOH 383 1483 650 HOH HOH A . R 9 HOH 384 1484 358 HOH HOH A . R 9 HOH 385 1485 130 HOH HOH A . R 9 HOH 386 1486 490 HOH HOH A . R 9 HOH 387 1487 910 HOH HOH A . R 9 HOH 388 1488 243 HOH HOH A . R 9 HOH 389 1489 967 HOH HOH A . R 9 HOH 390 1490 957 HOH HOH A . R 9 HOH 391 1491 48 HOH HOH A . R 9 HOH 392 1492 35 HOH HOH A . R 9 HOH 393 1493 662 HOH HOH A . R 9 HOH 394 1494 193 HOH HOH A . R 9 HOH 395 1495 641 HOH HOH A . R 9 HOH 396 1496 903 HOH HOH A . R 9 HOH 397 1497 467 HOH HOH A . R 9 HOH 398 1498 144 HOH HOH A . R 9 HOH 399 1499 151 HOH HOH A . R 9 HOH 400 1500 612 HOH HOH A . R 9 HOH 401 1501 307 HOH HOH A . R 9 HOH 402 1502 203 HOH HOH A . R 9 HOH 403 1503 209 HOH HOH A . R 9 HOH 404 1504 187 HOH HOH A . R 9 HOH 405 1505 529 HOH HOH A . R 9 HOH 406 1506 460 HOH HOH A . R 9 HOH 407 1507 613 HOH HOH A . R 9 HOH 408 1508 8 HOH HOH A . R 9 HOH 409 1509 800 HOH HOH A . R 9 HOH 410 1510 559 HOH HOH A . R 9 HOH 411 1511 118 HOH HOH A . R 9 HOH 412 1512 296 HOH HOH A . R 9 HOH 413 1513 520 HOH HOH A . R 9 HOH 414 1514 280 HOH HOH A . R 9 HOH 415 1515 329 HOH HOH A . R 9 HOH 416 1516 708 HOH HOH A . R 9 HOH 417 1517 948 HOH HOH A . R 9 HOH 418 1518 344 HOH HOH A . R 9 HOH 419 1519 973 HOH HOH A . R 9 HOH 420 1520 294 HOH HOH A . R 9 HOH 421 1521 225 HOH HOH A . R 9 HOH 422 1522 504 HOH HOH A . R 9 HOH 423 1523 339 HOH HOH A . R 9 HOH 424 1524 444 HOH HOH A . R 9 HOH 425 1525 25 HOH HOH A . R 9 HOH 426 1526 554 HOH HOH A . R 9 HOH 427 1527 954 HOH HOH A . R 9 HOH 428 1528 545 HOH HOH A . R 9 HOH 429 1529 578 HOH HOH A . R 9 HOH 430 1530 805 HOH HOH A . R 9 HOH 431 1531 263 HOH HOH A . R 9 HOH 432 1532 433 HOH HOH A . R 9 HOH 433 1533 744 HOH HOH A . R 9 HOH 434 1534 451 HOH HOH A . R 9 HOH 435 1535 196 HOH HOH A . R 9 HOH 436 1536 223 HOH HOH A . R 9 HOH 437 1537 755 HOH HOH A . R 9 HOH 438 1538 536 HOH HOH A . R 9 HOH 439 1539 378 HOH HOH A . R 9 HOH 440 1540 33 HOH HOH A . R 9 HOH 441 1541 125 HOH HOH A . R 9 HOH 442 1542 895 HOH HOH A . R 9 HOH 443 1543 208 HOH HOH A . R 9 HOH 444 1544 629 HOH HOH A . R 9 HOH 445 1545 231 HOH HOH A . R 9 HOH 446 1546 478 HOH HOH A . R 9 HOH 447 1547 439 HOH HOH A . R 9 HOH 448 1548 622 HOH HOH A . R 9 HOH 449 1549 298 HOH HOH A . R 9 HOH 450 1550 736 HOH HOH A . R 9 HOH 451 1551 620 HOH HOH A . R 9 HOH 452 1552 550 HOH HOH A . R 9 HOH 453 1553 158 HOH HOH A . R 9 HOH 454 1554 820 HOH HOH A . R 9 HOH 455 1555 78 HOH HOH A . R 9 HOH 456 1556 233 HOH HOH A . R 9 HOH 457 1557 440 HOH HOH A . R 9 HOH 458 1558 675 HOH HOH A . R 9 HOH 459 1559 97 HOH HOH A . R 9 HOH 460 1560 256 HOH HOH A . R 9 HOH 461 1561 400 HOH HOH A . R 9 HOH 462 1562 284 HOH HOH A . R 9 HOH 463 1563 501 HOH HOH A . R 9 HOH 464 1564 751 HOH HOH A . R 9 HOH 465 1565 971 HOH HOH A . R 9 HOH 466 1566 682 HOH HOH A . R 9 HOH 467 1567 466 HOH HOH A . R 9 HOH 468 1568 589 HOH HOH A . R 9 HOH 469 1569 32 HOH HOH A . R 9 HOH 470 1570 571 HOH HOH A . R 9 HOH 471 1571 91 HOH HOH A . R 9 HOH 472 1572 565 HOH HOH A . R 9 HOH 473 1573 663 HOH HOH A . R 9 HOH 474 1574 558 HOH HOH A . R 9 HOH 475 1575 645 HOH HOH A . R 9 HOH 476 1576 690 HOH HOH A . R 9 HOH 477 1577 617 HOH HOH A . R 9 HOH 478 1578 477 HOH HOH A . R 9 HOH 479 1579 173 HOH HOH A . R 9 HOH 480 1580 36 HOH HOH A . R 9 HOH 481 1581 918 HOH HOH A . R 9 HOH 482 1582 949 HOH HOH A . R 9 HOH 483 1583 540 HOH HOH A . R 9 HOH 484 1584 238 HOH HOH A . R 9 HOH 485 1585 287 HOH HOH A . R 9 HOH 486 1586 511 HOH HOH A . R 9 HOH 487 1587 232 HOH HOH A . R 9 HOH 488 1588 811 HOH HOH A . R 9 HOH 489 1589 371 HOH HOH A . R 9 HOH 490 1590 897 HOH HOH A . R 9 HOH 491 1591 822 HOH HOH A . R 9 HOH 492 1592 535 HOH HOH A . R 9 HOH 493 1593 701 HOH HOH A . R 9 HOH 494 1595 249 HOH HOH A . R 9 HOH 495 1596 644 HOH HOH A . R 9 HOH 496 1597 937 HOH HOH A . R 9 HOH 497 1598 669 HOH HOH A . R 9 HOH 498 1599 697 HOH HOH A . R 9 HOH 499 1600 446 HOH HOH A . R 9 HOH 500 1601 796 HOH HOH A . R 9 HOH 501 1602 815 HOH HOH A . R 9 HOH 502 1603 673 HOH HOH A . R 9 HOH 503 1604 224 HOH HOH A . R 9 HOH 504 1605 248 HOH HOH A . R 9 HOH 505 1606 608 HOH HOH A . R 9 HOH 506 1607 702 HOH HOH A . R 9 HOH 507 1608 781 HOH HOH A . R 9 HOH 508 1609 124 HOH HOH A . R 9 HOH 509 1610 176 HOH HOH A . R 9 HOH 510 1611 514 HOH HOH A . R 9 HOH 511 1612 450 HOH HOH A . R 9 HOH 512 1613 174 HOH HOH A . R 9 HOH 513 1614 655 HOH HOH A . R 9 HOH 514 1615 348 HOH HOH A . R 9 HOH 515 1616 350 HOH HOH A . R 9 HOH 516 1617 886 HOH HOH A . R 9 HOH 517 1618 98 HOH HOH A . R 9 HOH 518 1619 657 HOH HOH A . R 9 HOH 519 1620 934 HOH HOH A . R 9 HOH 520 1621 753 HOH HOH A . R 9 HOH 521 1622 619 HOH HOH A . R 9 HOH 522 1623 397 HOH HOH A . R 9 HOH 523 1624 634 HOH HOH A . R 9 HOH 524 1625 838 HOH HOH A . R 9 HOH 525 1626 375 HOH HOH A . R 9 HOH 526 1627 850 HOH HOH A . R 9 HOH 527 1628 677 HOH HOH A . R 9 HOH 528 1629 817 HOH HOH A . R 9 HOH 529 1630 926 HOH HOH A . R 9 HOH 530 1631 936 HOH HOH A . R 9 HOH 531 1632 961 HOH HOH A . R 9 HOH 532 1633 769 HOH HOH A . R 9 HOH 533 1634 779 HOH HOH A . R 9 HOH 534 1635 875 HOH HOH A . R 9 HOH 535 1636 665 HOH HOH A . R 9 HOH 536 1637 836 HOH HOH A . R 9 HOH 537 1638 860 HOH HOH A . R 9 HOH 538 1639 931 HOH HOH A . R 9 HOH 539 1640 360 HOH HOH A . R 9 HOH 540 1641 640 HOH HOH A . R 9 HOH 541 1642 442 HOH HOH A . R 9 HOH 542 1643 958 HOH HOH A . R 9 HOH 543 1644 793 HOH HOH A . R 9 HOH 544 1645 543 HOH HOH A . R 9 HOH 545 1646 743 HOH HOH A . R 9 HOH 546 1647 215 HOH HOH A . R 9 HOH 547 1648 588 HOH HOH A . R 9 HOH 548 1649 679 HOH HOH A . R 9 HOH 549 1650 330 HOH HOH A . R 9 HOH 550 1651 876 HOH HOH A . R 9 HOH 551 1652 765 HOH HOH A . R 9 HOH 552 1653 828 HOH HOH A . R 9 HOH 553 1654 279 HOH HOH A . R 9 HOH 554 1655 787 HOH HOH A . R 9 HOH 555 1656 12 HOH HOH A . R 9 HOH 556 1657 651 HOH HOH A . R 9 HOH 557 1658 5 HOH HOH A . R 9 HOH 558 1659 385 HOH HOH A . R 9 HOH 559 1660 773 HOH HOH A . R 9 HOH 560 1661 366 HOH HOH A . R 9 HOH 561 1662 270 HOH HOH A . R 9 HOH 562 1663 561 HOH HOH A . R 9 HOH 563 1664 454 HOH HOH A . R 9 HOH 564 1665 276 HOH HOH A . R 9 HOH 565 1666 898 HOH HOH A . R 9 HOH 566 1667 312 HOH HOH A . R 9 HOH 567 1668 614 HOH HOH A . R 9 HOH 568 1669 485 HOH HOH A . R 9 HOH 569 1670 674 HOH HOH A . R 9 HOH 570 1671 899 HOH HOH A . R 9 HOH 571 1672 794 HOH HOH A . R 9 HOH 572 1673 583 HOH HOH A . R 9 HOH 573 1674 322 HOH HOH A . R 9 HOH 574 1675 816 HOH HOH A . R 9 HOH 575 1676 718 HOH HOH A . R 9 HOH 576 1677 110 HOH HOH A . R 9 HOH 577 1678 6 HOH HOH A . R 9 HOH 578 1679 547 HOH HOH A . R 9 HOH 579 1680 854 HOH HOH A . R 9 HOH 580 1681 851 HOH HOH A . R 9 HOH 581 1682 408 HOH HOH A . R 9 HOH 582 1683 705 HOH HOH A . R 9 HOH 583 1684 111 HOH HOH A . R 9 HOH 584 1685 302 HOH HOH A . R 9 HOH 585 1686 969 HOH HOH A . R 9 HOH 586 1687 630 HOH HOH A . R 9 HOH 587 1688 680 HOH HOH A . R 9 HOH 588 1689 384 HOH HOH A . R 9 HOH 589 1690 498 HOH HOH A . R 9 HOH 590 1691 227 HOH HOH A . R 9 HOH 591 1692 639 HOH HOH A . R 9 HOH 592 1693 678 HOH HOH A . R 9 HOH 593 1694 722 HOH HOH A . R 9 HOH 594 1695 333 HOH HOH A . R 9 HOH 595 1696 694 HOH HOH A . R 9 HOH 596 1697 960 HOH HOH A . R 9 HOH 597 1698 845 HOH HOH A . R 9 HOH 598 1699 959 HOH HOH A . R 9 HOH 599 1700 315 HOH HOH A . R 9 HOH 600 1701 549 HOH HOH A . R 9 HOH 601 1702 357 HOH HOH A . R 9 HOH 602 1703 10 HOH HOH A . R 9 HOH 603 1704 587 HOH HOH A . R 9 HOH 604 1705 814 HOH HOH A . R 9 HOH 605 1706 581 HOH HOH A . R 9 HOH 606 1707 582 HOH HOH A . R 9 HOH 607 1708 739 HOH HOH A . R 9 HOH 608 1709 169 HOH HOH A . R 9 HOH 609 1710 730 HOH HOH A . R 9 HOH 610 1711 940 HOH HOH A . R 9 HOH 611 1712 832 HOH HOH A . R 9 HOH 612 1713 355 HOH HOH A . R 9 HOH 613 1714 703 HOH HOH A . R 9 HOH 614 1715 379 HOH HOH A . R 9 HOH 615 1716 737 HOH HOH A . R 9 HOH 616 1717 710 HOH HOH A . R 9 HOH 617 1718 261 HOH HOH A . R 9 HOH 618 1719 923 HOH HOH A . R 9 HOH 619 1720 600 HOH HOH A . R 9 HOH 620 1721 9 HOH HOH A . R 9 HOH 621 1722 732 HOH HOH A . R 9 HOH 622 1723 206 HOH HOH A . R 9 HOH 623 1724 407 HOH HOH A . R 9 HOH 624 1725 912 HOH HOH A . R 9 HOH 625 1726 404 HOH HOH A . R 9 HOH 626 1727 798 HOH HOH A . R 9 HOH 627 1728 518 HOH HOH A . R 9 HOH 628 1729 527 HOH HOH A . R 9 HOH 629 1730 175 HOH HOH A . R 9 HOH 630 1731 756 HOH HOH A . R 9 HOH 631 1732 648 HOH HOH A . R 9 HOH 632 1733 542 HOH HOH A . R 9 HOH 633 1734 566 HOH HOH A . R 9 HOH 634 1735 154 HOH HOH A . R 9 HOH 635 1736 966 HOH HOH A . R 9 HOH 636 1737 835 HOH HOH A . R 9 HOH 637 1738 749 HOH HOH A . R 9 HOH 638 1739 861 HOH HOH A . R 9 HOH 639 1740 938 HOH HOH A . R 9 HOH 640 1741 715 HOH HOH A . R 9 HOH 641 1742 275 HOH HOH A . R 9 HOH 642 1743 334 HOH HOH A . R 9 HOH 643 1744 771 HOH HOH A . R 9 HOH 644 1745 266 HOH HOH A . R 9 HOH 645 1746 413 HOH HOH A . R 9 HOH 646 1747 638 HOH HOH A . R 9 HOH 647 1748 363 HOH HOH A . R 9 HOH 648 1749 604 HOH HOH A . R 9 HOH 649 1750 186 HOH HOH A . R 9 HOH 650 1751 758 HOH HOH A . R 9 HOH 651 1752 716 HOH HOH A . R 9 HOH 652 1753 500 HOH HOH A . R 9 HOH 653 1754 335 HOH HOH A . R 9 HOH 654 1755 770 HOH HOH A . R 9 HOH 655 1756 631 HOH HOH A . R 9 HOH 656 1757 950 HOH HOH A . R 9 HOH 657 1758 505 HOH HOH A . R 9 HOH 658 1759 864 HOH HOH A . R 9 HOH 659 1760 321 HOH HOH A . R 9 HOH 660 1761 968 HOH HOH A . R 9 HOH 661 1762 741 HOH HOH A . R 9 HOH 662 1763 434 HOH HOH A . R 9 HOH 663 1764 553 HOH HOH A . R 9 HOH 664 1765 388 HOH HOH A . R 9 HOH 665 1766 681 HOH HOH A . R 9 HOH 666 1767 393 HOH HOH A . R 9 HOH 667 1768 888 HOH HOH A . R 9 HOH 668 1769 399 HOH HOH A . R 9 HOH 669 1770 606 HOH HOH A . R 9 HOH 670 1771 396 HOH HOH A . R 9 HOH 671 1772 401 HOH HOH A . R 9 HOH 672 1773 395 HOH HOH A . R 9 HOH 673 1774 874 HOH HOH A . R 9 HOH 674 1775 584 HOH HOH A . R 9 HOH 675 1776 349 HOH HOH A . R 9 HOH 676 1777 398 HOH HOH A . R 9 HOH 677 1778 646 HOH HOH A . R 9 HOH 678 1779 295 HOH HOH A . R 9 HOH 679 1780 354 HOH HOH A . R 9 HOH 680 1781 965 HOH HOH A . R 9 HOH 681 1782 670 HOH HOH A . R 9 HOH 682 1783 373 HOH HOH A . R 9 HOH 683 1784 526 HOH HOH A . R 9 HOH 684 1785 308 HOH HOH A . R 9 HOH 685 1786 410 HOH HOH A . R 9 HOH 686 1787 880 HOH HOH A . R 9 HOH 687 1788 706 HOH HOH A . R 9 HOH 688 1789 432 HOH HOH A . R 9 HOH 689 1790 803 HOH HOH A . R 9 HOH 690 1791 497 HOH HOH A . R 9 HOH 691 1792 652 HOH HOH A . R 9 HOH 692 1793 390 HOH HOH A . R 9 HOH 693 1794 427 HOH HOH A . R 9 HOH 694 1795 487 HOH HOH A . R 9 HOH 695 1796 541 HOH HOH A . R 9 HOH 696 1797 522 HOH HOH A . R 9 HOH 697 1798 945 HOH HOH A . R 9 HOH 698 1799 412 HOH HOH A . R 9 HOH 699 1800 623 HOH HOH A . R 9 HOH 700 1801 332 HOH HOH A . R 9 HOH 701 1802 519 HOH HOH A . R 9 HOH 702 1803 365 HOH HOH A . R 9 HOH 703 1804 189 HOH HOH A . R 9 HOH 704 1805 575 HOH HOH A . R 9 HOH 705 1806 517 HOH HOH A . R 9 HOH 706 1807 723 HOH HOH A . R 9 HOH 707 1808 351 HOH HOH A . R 9 HOH 708 1809 879 HOH HOH A . R 9 HOH 709 1810 342 HOH HOH A . R 9 HOH 710 1811 717 HOH HOH A . R 9 HOH 711 1812 544 HOH HOH A . R 9 HOH 712 1813 750 HOH HOH A . R 9 HOH 713 1814 799 HOH HOH A . R 9 HOH 714 1815 316 HOH HOH A . R 9 HOH 715 1816 214 HOH HOH A . R 9 HOH 716 1817 935 HOH HOH A . R 9 HOH 717 1818 323 HOH HOH A . R 9 HOH 718 1819 671 HOH HOH A . R 9 HOH 719 1820 643 HOH HOH A . R 9 HOH 720 1821 405 HOH HOH A . R 9 HOH 721 1822 376 HOH HOH A . R 9 HOH 722 1823 402 HOH HOH A . R 9 HOH 723 1824 783 HOH HOH A . R 9 HOH 724 1825 461 HOH HOH A . R 9 HOH 725 1826 947 HOH HOH A . R 9 HOH 726 1827 489 HOH HOH A . R 9 HOH 727 1828 601 HOH HOH A . R 9 HOH 728 1829 591 HOH HOH A . R 9 HOH 729 1830 563 HOH HOH A . R 9 HOH 730 1831 944 HOH HOH A . R 9 HOH 731 1832 513 HOH HOH A . R 9 HOH 732 1833 179 HOH HOH A . R 9 HOH 733 1834 953 HOH HOH A . R 9 HOH 734 1835 761 HOH HOH A . R 9 HOH 735 1836 503 HOH HOH A . R 9 HOH 736 1837 713 HOH HOH A . R 9 HOH 737 1838 757 HOH HOH A . R 9 HOH 738 1839 387 HOH HOH A . R 9 HOH 739 1840 359 HOH HOH A . R 9 HOH 740 1841 661 HOH HOH A . R 9 HOH 741 1842 712 HOH HOH A . R 9 HOH 742 1843 530 HOH HOH A . R 9 HOH 743 1844 772 HOH HOH A . R 9 HOH 744 1845 309 HOH HOH A . R 9 HOH 745 1846 833 HOH HOH A . R 9 HOH 746 1847 121 HOH HOH A . R 9 HOH 747 1848 599 HOH HOH A . R 9 HOH 748 1849 211 HOH HOH A . R 9 HOH 749 1850 314 HOH HOH A . R 9 HOH 750 1851 212 HOH HOH A . R 9 HOH 751 1852 637 HOH HOH A . R 9 HOH 752 1853 636 HOH HOH A . R 9 HOH 753 1854 336 HOH HOH A . R 9 HOH 754 1855 377 HOH HOH A . R 9 HOH 755 1856 2 HOH HOH A . R 9 HOH 756 1857 311 HOH HOH A . R 9 HOH 757 1858 873 HOH HOH A . R 9 HOH 758 1859 946 HOH HOH A . R 9 HOH 759 1860 725 HOH HOH A . R 9 HOH 760 1861 752 HOH HOH A . R 9 HOH 761 1862 856 HOH HOH A . R 9 HOH 762 1863 310 HOH HOH A . R 9 HOH 763 1864 790 HOH HOH A . R 9 HOH 764 1865 823 HOH HOH A . R 9 HOH 765 1866 347 HOH HOH A . R 9 HOH 766 1867 842 HOH HOH A . R 9 HOH 767 1868 902 HOH HOH A . R 9 HOH 768 1869 160 HOH HOH A . R 9 HOH 769 1870 721 HOH HOH A . R 9 HOH 770 1871 419 HOH HOH A . R 9 HOH 771 1872 381 HOH HOH A . R 9 HOH 772 1873 403 HOH HOH A . R 9 HOH 773 1874 733 HOH HOH A . R 9 HOH 774 1875 267 HOH HOH A . R 9 HOH 775 1876 763 HOH HOH A . R 9 HOH 776 1877 406 HOH HOH A . R 9 HOH 777 1878 927 HOH HOH A . R 9 HOH 778 1879 352 HOH HOH A . R 9 HOH 779 1880 768 HOH HOH A . R 9 HOH 780 1881 272 HOH HOH A . R 9 HOH 781 1882 789 HOH HOH A . R 9 HOH 782 1883 807 HOH HOH A . R 9 HOH 783 1884 394 HOH HOH A . R 9 HOH 784 1885 356 HOH HOH A . R 9 HOH 785 1886 420 HOH HOH A . R 9 HOH 786 1887 877 HOH HOH A . R 9 HOH 787 1888 277 HOH HOH A . R 9 HOH 788 1889 885 HOH HOH A . R 9 HOH 789 1890 728 HOH HOH A . R 9 HOH 790 1891 392 HOH HOH A . R 9 HOH 791 1892 421 HOH HOH A . R 9 HOH 792 1893 840 HOH HOH A . R 9 HOH 793 1894 422 HOH HOH A . R 9 HOH 794 1895 883 HOH HOH A . R 9 HOH 795 1896 3 HOH HOH A . R 9 HOH 796 1897 921 HOH HOH A . R 9 HOH 797 1898 729 HOH HOH A . R 9 HOH 798 1899 317 HOH HOH A . R 9 HOH 799 1900 331 HOH HOH A . R 9 HOH 800 1901 922 HOH HOH A . R 9 HOH 801 1902 881 HOH HOH A . R 9 HOH 802 1903 900 HOH HOH A . R 9 HOH 803 1904 857 HOH HOH A . R 9 HOH 804 1905 353 HOH HOH A . # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_and_software_defined_assembly _pdbx_struct_assembly.method_details PISA _pdbx_struct_assembly.oligomeric_details monomeric _pdbx_struct_assembly.oligomeric_count 1 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H,I,J,K,L,M,N,O,P,Q,R # loop_ _pdbx_struct_assembly_prop.biol_id _pdbx_struct_assembly_prop.type _pdbx_struct_assembly_prop.value _pdbx_struct_assembly_prop.details 1 'ABSA (A^2)' 3050 ? 1 MORE 16 ? 1 'SSA (A^2)' 33130 ? # _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 OD1 ? A ASP 124 ? A ASP 147 ? 1_555 ZN ? O ZN . ? A ZN 1014 ? 1_555 OD2 ? A ASP 124 ? A ASP 147 ? 1_555 53.5 ? 2 OD1 ? A ASP 124 ? A ASP 147 ? 1_555 ZN ? O ZN . ? A ZN 1014 ? 1_555 OG1 ? A THR 162 ? A THR 185 ? 1_555 124.1 ? 3 OD2 ? A ASP 124 ? A ASP 147 ? 1_555 ZN ? O ZN . ? A ZN 1014 ? 1_555 OG1 ? A THR 162 ? A THR 185 ? 1_555 85.2 ? 4 OD1 ? A ASP 124 ? A ASP 147 ? 1_555 ZN ? O ZN . ? A ZN 1014 ? 1_555 OD2 ? A ASP 329 ? A ASP 352 ? 1_555 108.6 ? 5 OD2 ? A ASP 124 ? A ASP 147 ? 1_555 ZN ? O ZN . ? A ZN 1014 ? 1_555 OD2 ? A ASP 329 ? A ASP 352 ? 1_555 89.6 ? 6 OG1 ? A THR 162 ? A THR 185 ? 1_555 ZN ? O ZN . ? A ZN 1014 ? 1_555 OD2 ? A ASP 329 ? A ASP 352 ? 1_555 106.4 ? 7 OD1 ? A ASP 124 ? A ASP 147 ? 1_555 ZN ? O ZN . ? A ZN 1014 ? 1_555 NE2 ? A HIS 330 ? A HIS 353 ? 1_555 106.2 ? 8 OD2 ? A ASP 124 ? A ASP 147 ? 1_555 ZN ? O ZN . ? A ZN 1014 ? 1_555 NE2 ? A HIS 330 ? A HIS 353 ? 1_555 159.6 ? 9 OG1 ? A THR 162 ? A THR 185 ? 1_555 ZN ? O ZN . ? A ZN 1014 ? 1_555 NE2 ? A HIS 330 ? A HIS 353 ? 1_555 111.4 ? 10 OD2 ? A ASP 329 ? A ASP 352 ? 1_555 ZN ? O ZN . ? A ZN 1014 ? 1_555 NE2 ? A HIS 330 ? A HIS 353 ? 1_555 96.5 ? 11 OD1 ? A ASP 282 ? A ASP 305 ? 1_555 ZN ? N ZN . ? A ZN 1013 ? 1_555 OD2 ? A ASP 282 ? A ASP 305 ? 1_555 55.8 ? 12 OD1 ? A ASP 282 ? A ASP 305 ? 1_555 ZN ? N ZN . ? A ZN 1013 ? 1_555 NE2 ? A HIS 286 ? A HIS 309 ? 1_555 102.9 ? 13 OD2 ? A ASP 282 ? A ASP 305 ? 1_555 ZN ? N ZN . ? A ZN 1013 ? 1_555 NE2 ? A HIS 286 ? A HIS 309 ? 1_555 85.1 ? 14 OD1 ? A ASP 282 ? A ASP 305 ? 1_555 ZN ? N ZN . ? A ZN 1013 ? 1_555 NE2 ? A HIS 439 ? A HIS 462 ? 1_555 94.2 ? 15 OD2 ? A ASP 282 ? A ASP 305 ? 1_555 ZN ? N ZN . ? A ZN 1013 ? 1_555 NE2 ? A HIS 439 ? A HIS 462 ? 1_555 149.9 ? 16 NE2 ? A HIS 286 ? A HIS 309 ? 1_555 ZN ? N ZN . ? A ZN 1013 ? 1_555 NE2 ? A HIS 439 ? A HIS 462 ? 1_555 106.1 ? 17 OD1 ? A ASP 282 ? A ASP 305 ? 1_555 ZN ? N ZN . ? A ZN 1013 ? 1_555 O1P ? Q AMP . ? A AMP 1016 ? 1_555 126.1 ? 18 OD2 ? A ASP 282 ? A ASP 305 ? 1_555 ZN ? N ZN . ? A ZN 1013 ? 1_555 O1P ? Q AMP . ? A AMP 1016 ? 1_555 75.6 ? 19 NE2 ? A HIS 286 ? A HIS 309 ? 1_555 ZN ? N ZN . ? A ZN 1013 ? 1_555 O1P ? Q AMP . ? A AMP 1016 ? 1_555 94.0 ? 20 NE2 ? A HIS 439 ? A HIS 462 ? 1_555 ZN ? N ZN . ? A ZN 1013 ? 1_555 O1P ? Q AMP . ? A AMP 1016 ? 1_555 129.6 ? 21 OD1 ? A ASP 705 ? A ASP 728 ? 1_555 CA ? P CA . ? A CA 1015 ? 1_555 OD1 ? A ASN 707 ? A ASN 730 ? 1_555 87.9 ? 22 OD1 ? A ASP 705 ? A ASP 728 ? 1_555 CA ? P CA . ? A CA 1015 ? 1_555 OD1 ? A ASP 709 ? A ASP 732 ? 1_555 103.7 ? 23 OD1 ? A ASN 707 ? A ASN 730 ? 1_555 CA ? P CA . ? A CA 1015 ? 1_555 OD1 ? A ASP 709 ? A ASP 732 ? 1_555 93.4 ? 24 OD1 ? A ASP 705 ? A ASP 728 ? 1_555 CA ? P CA . ? A CA 1015 ? 1_555 O ? A HIS 711 ? A HIS 734 ? 1_555 93.0 ? 25 OD1 ? A ASN 707 ? A ASN 730 ? 1_555 CA ? P CA . ? A CA 1015 ? 1_555 O ? A HIS 711 ? A HIS 734 ? 1_555 175.1 ? 26 OD1 ? A ASP 709 ? A ASP 732 ? 1_555 CA ? P CA . ? A CA 1015 ? 1_555 O ? A HIS 711 ? A HIS 734 ? 1_555 91.1 ? 27 OD1 ? A ASP 705 ? A ASP 728 ? 1_555 CA ? P CA . ? A CA 1015 ? 1_555 OD1 ? A ASP 713 ? A ASP 736 ? 1_555 145.7 ? 28 OD1 ? A ASN 707 ? A ASN 730 ? 1_555 CA ? P CA . ? A CA 1015 ? 1_555 OD1 ? A ASP 713 ? A ASP 736 ? 1_555 86.9 ? 29 OD1 ? A ASP 709 ? A ASP 732 ? 1_555 CA ? P CA . ? A CA 1015 ? 1_555 OD1 ? A ASP 713 ? A ASP 736 ? 1_555 110.5 ? 30 O ? A HIS 711 ? A HIS 734 ? 1_555 CA ? P CA . ? A CA 1015 ? 1_555 OD1 ? A ASP 713 ? A ASP 736 ? 1_555 89.7 ? 31 OD1 ? A ASP 705 ? A ASP 728 ? 1_555 CA ? P CA . ? A CA 1015 ? 1_555 OD2 ? A ASP 713 ? A ASP 736 ? 1_555 88.3 ? 32 OD1 ? A ASN 707 ? A ASN 730 ? 1_555 CA ? P CA . ? A CA 1015 ? 1_555 OD2 ? A ASP 713 ? A ASP 736 ? 1_555 74.3 ? 33 OD1 ? A ASP 709 ? A ASP 732 ? 1_555 CA ? P CA . ? A CA 1015 ? 1_555 OD2 ? A ASP 713 ? A ASP 736 ? 1_555 162.7 ? 34 O ? A HIS 711 ? A HIS 734 ? 1_555 CA ? P CA . ? A CA 1015 ? 1_555 OD2 ? A ASP 713 ? A ASP 736 ? 1_555 100.9 ? 35 OD1 ? A ASP 713 ? A ASP 736 ? 1_555 CA ? P CA . ? A CA 1015 ? 1_555 OD2 ? A ASP 713 ? A ASP 736 ? 1_555 57.7 ? # _pdbx_audit_revision_history.ordinal 1 _pdbx_audit_revision_history.data_content_type 'Structure model' _pdbx_audit_revision_history.major_revision 1 _pdbx_audit_revision_history.minor_revision 0 _pdbx_audit_revision_history.revision_date 2017-09-27 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # loop_ _pdbx_refine_tls.pdbx_refine_id _pdbx_refine_tls.id _pdbx_refine_tls.details _pdbx_refine_tls.method _pdbx_refine_tls.origin_x _pdbx_refine_tls.origin_y _pdbx_refine_tls.origin_z _pdbx_refine_tls.T[1][1] _pdbx_refine_tls.T[2][2] _pdbx_refine_tls.T[3][3] _pdbx_refine_tls.T[1][2] _pdbx_refine_tls.T[1][3] _pdbx_refine_tls.T[2][3] _pdbx_refine_tls.L[1][1] _pdbx_refine_tls.L[2][2] _pdbx_refine_tls.L[3][3] _pdbx_refine_tls.L[1][2] _pdbx_refine_tls.L[1][3] _pdbx_refine_tls.L[2][3] _pdbx_refine_tls.S[1][1] _pdbx_refine_tls.S[1][2] _pdbx_refine_tls.S[1][3] _pdbx_refine_tls.S[2][1] _pdbx_refine_tls.S[2][2] _pdbx_refine_tls.S[2][3] _pdbx_refine_tls.S[3][1] _pdbx_refine_tls.S[3][2] _pdbx_refine_tls.S[3][3] 'X-RAY DIFFRACTION' 1 ? refined -20.7892 -5.9684 -45.0643 0.1673 0.3651 0.1515 -0.0084 -0.0412 0.0033 2.1080 1.6951 1.9782 0.4828 0.0852 0.4563 -0.2095 0.6750 -0.0376 -0.2850 0.1997 0.0604 0.1352 0.2479 0.0397 'X-RAY DIFFRACTION' 2 ? refined -29.1508 12.5536 -13.9869 0.2035 0.1322 0.2966 0.0318 0.0661 0.0331 0.9548 1.2351 1.9763 -0.0549 -0.5337 0.7040 -0.0170 -0.0840 0.2293 0.2596 0.0770 0.2497 -0.0447 0.0945 -0.0727 # loop_ _pdbx_refine_tls_group.pdbx_refine_id _pdbx_refine_tls_group.id _pdbx_refine_tls_group.refine_tls_id _pdbx_refine_tls_group.beg_auth_asym_id _pdbx_refine_tls_group.beg_auth_seq_id _pdbx_refine_tls_group.beg_label_asym_id _pdbx_refine_tls_group.beg_label_seq_id _pdbx_refine_tls_group.end_auth_asym_id _pdbx_refine_tls_group.end_auth_seq_id _pdbx_refine_tls_group.end_label_asym_id _pdbx_refine_tls_group.end_label_seq_id _pdbx_refine_tls_group.selection _pdbx_refine_tls_group.selection_details 'X-RAY DIFFRACTION' 1 1 ? ? ? ? ? ? ? ? ? ;chain 'A' and (resid 65 through 468 ) ; 'X-RAY DIFFRACTION' 2 2 ? ? ? ? ? ? ? ? ? ;chain 'A' and (resid 469 through 852 ) ; # loop_ _software.citation_id _software.classification _software.compiler_name _software.compiler_version _software.contact_author _software.contact_author_email _software.date _software.description _software.dependencies _software.hardware _software.language _software.location _software.mods _software.name _software.os _software.os_version _software.type _software.version _software.pdbx_ordinal ? refinement ? ? ? ? ? ? ? ? ? ? ? PHENIX ? ? ? '(1.10.1_2155: ???)' 1 ? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? HKL-2000 ? ? ? . 2 ? 'data scaling' ? ? ? ? ? ? ? ? ? ? ? HKL-2000 ? ? ? . 3 ? phasing ? ? ? ? ? ? ? ? ? ? ? PHASER ? ? ? . 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 O A HOH 1105 ? ? O A HOH 1702 ? ? 1.98 2 1 O A HOH 1135 ? ? O A HOH 1628 ? ? 2.05 3 1 O A HOH 1637 ? ? O A HOH 1790 ? ? 2.06 4 1 O A HOH 1677 ? ? O A HOH 1756 ? ? 2.08 5 1 O A HOH 1102 ? ? O A HOH 1690 ? ? 2.10 6 1 O A HOH 1570 ? ? O A HOH 1615 ? ? 2.10 7 1 O A HOH 1651 ? ? O A HOH 1705 ? ? 2.13 8 1 ND2 A ASN 226 ? ? O A HOH 1101 ? ? 2.14 9 1 O A HOH 1217 ? ? O A HOH 1507 ? ? 2.16 10 1 O A HOH 1410 ? ? O A HOH 1468 ? ? 2.16 11 1 O2P A AMP 1016 ? ? O A HOH 1102 ? ? 2.17 12 1 O A HOH 1128 ? ? O A HOH 1429 ? ? 2.17 13 1 ND2 A ASN 512 ? ? O5 A NAG 1004 ? ? 2.17 14 1 OG1 A THR 185 ? ? O3P A AMP 1016 ? ? 2.19 # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 CYS A 78 ? ? -90.48 52.06 2 1 ASN A 79 ? ? -44.84 156.23 3 1 GLU A 85 ? ? -56.71 173.61 4 1 SER A 96 ? ? -115.15 -149.37 5 1 ASP A 98 ? ? -82.89 37.08 6 1 PRO A 133 ? ? -92.94 -150.66 7 1 SER A 220 ? ? -119.48 66.68 8 1 PHE A 250 ? ? 73.51 128.42 9 1 TRP A 251 ? ? -170.32 134.14 10 1 VAL A 373 ? ? -112.96 70.59 11 1 PRO A 424 ? ? -38.98 128.15 12 1 ALA A 430 ? ? -154.00 -36.71 13 1 GLN A 445 ? ? 81.75 -2.76 14 1 TYR A 456 ? ? -94.79 58.39 15 1 ASP A 465 ? ? -34.98 129.52 16 1 LYS A 485 ? ? 37.80 53.98 17 1 CYS A 556 ? ? -151.25 85.85 18 1 SER A 626 ? ? 73.34 154.55 19 1 ALA A 637 ? ? -94.87 -73.07 20 1 ASP A 661 ? ? -66.59 81.61 21 1 TYR A 731 ? ? 37.51 43.12 # _pdbx_validate_peptide_omega.id 1 _pdbx_validate_peptide_omega.PDB_model_num 1 _pdbx_validate_peptide_omega.auth_comp_id_1 CYS _pdbx_validate_peptide_omega.auth_asym_id_1 A _pdbx_validate_peptide_omega.auth_seq_id_1 69 _pdbx_validate_peptide_omega.PDB_ins_code_1 ? _pdbx_validate_peptide_omega.label_alt_id_1 ? _pdbx_validate_peptide_omega.auth_comp_id_2 VAL _pdbx_validate_peptide_omega.auth_asym_id_2 A _pdbx_validate_peptide_omega.auth_seq_id_2 70 _pdbx_validate_peptide_omega.PDB_ins_code_2 ? _pdbx_validate_peptide_omega.label_alt_id_2 ? _pdbx_validate_peptide_omega.omega 148.07 # loop_ _pdbx_distant_solvent_atoms.id _pdbx_distant_solvent_atoms.PDB_model_num _pdbx_distant_solvent_atoms.auth_atom_id _pdbx_distant_solvent_atoms.label_alt_id _pdbx_distant_solvent_atoms.auth_asym_id _pdbx_distant_solvent_atoms.auth_comp_id _pdbx_distant_solvent_atoms.auth_seq_id _pdbx_distant_solvent_atoms.PDB_ins_code _pdbx_distant_solvent_atoms.neighbor_macromolecule_distance _pdbx_distant_solvent_atoms.neighbor_ligand_distance 1 1 O ? A HOH 1885 ? 5.81 . 2 1 O ? A HOH 1886 ? 5.96 . 3 1 O ? A HOH 1887 ? 6.19 . 4 1 O ? A HOH 1888 ? 6.27 . 5 1 O ? A HOH 1889 ? 6.29 . 6 1 O ? A HOH 1890 ? 6.30 . 7 1 O ? A HOH 1891 ? 6.39 . 8 1 O ? A HOH 1892 ? 6.66 . 9 1 O ? A HOH 1893 ? 6.70 . 10 1 O ? A HOH 1894 ? 6.78 . 11 1 O ? A HOH 1895 ? . 7.00 12 1 O ? A HOH 1896 ? 7.22 . 13 1 O ? A HOH 1897 ? 7.23 . 14 1 O ? A HOH 1898 ? 7.26 . 15 1 O ? A HOH 1899 ? 7.33 . 16 1 O ? A HOH 1900 ? 7.43 . 17 1 O ? A HOH 1901 ? 7.83 . 18 1 O ? A HOH 1902 ? 7.86 . 19 1 O ? A HOH 1903 ? 8.33 . 20 1 O ? A HOH 1904 ? 8.57 . 21 1 O ? A HOH 1905 ? 8.66 . # loop_ _pdbx_unobs_or_zero_occ_residues.id _pdbx_unobs_or_zero_occ_residues.PDB_model_num _pdbx_unobs_or_zero_occ_residues.polymer_flag _pdbx_unobs_or_zero_occ_residues.occupancy_flag _pdbx_unobs_or_zero_occ_residues.auth_asym_id _pdbx_unobs_or_zero_occ_residues.auth_comp_id _pdbx_unobs_or_zero_occ_residues.auth_seq_id _pdbx_unobs_or_zero_occ_residues.PDB_ins_code _pdbx_unobs_or_zero_occ_residues.label_asym_id _pdbx_unobs_or_zero_occ_residues.label_comp_id _pdbx_unobs_or_zero_occ_residues.label_seq_id 1 1 Y 1 A LEU 24 ? A LEU 1 2 1 Y 1 A LYS 25 ? A LYS 2 3 1 Y 1 A GLN 26 ? A GLN 3 4 1 Y 1 A SER 27 ? A SER 4 5 1 Y 1 A LYS 28 ? A LYS 5 6 1 Y 1 A GLN 29 ? A GLN 6 7 1 Y 1 A PRO 30 ? A PRO 7 8 1 Y 1 A LEU 31 ? A LEU 8 9 1 Y 1 A GLU 32 ? A GLU 9 10 1 Y 1 A SER 33 ? A SER 10 11 1 Y 1 A CYS 34 ? A CYS 11 12 1 Y 1 A ARG 35 ? A ARG 12 13 1 Y 1 A ASN 36 ? A ASN 13 14 1 Y 1 A ARG 37 ? A ARG 14 15 1 Y 1 A CYS 38 ? A CYS 15 16 1 Y 1 A ASN 39 ? A ASN 16 17 1 Y 1 A GLU 40 ? A GLU 17 18 1 Y 1 A THR 41 ? A THR 18 19 1 Y 1 A PHE 42 ? A PHE 19 20 1 Y 1 A SER 43 ? A SER 20 21 1 Y 1 A GLU 44 ? A GLU 21 22 1 Y 1 A GLU 45 ? A GLU 22 23 1 Y 1 A LEU 46 ? A LEU 23 24 1 Y 1 A SER 47 ? A SER 24 25 1 Y 1 A TYR 48 ? A TYR 25 26 1 Y 1 A CYS 49 ? A CYS 26 27 1 Y 1 A SER 50 ? A SER 27 28 1 Y 1 A CYS 51 ? A CYS 28 29 1 Y 1 A ASP 52 ? A ASP 29 30 1 Y 1 A ASN 53 ? A ASN 30 31 1 Y 1 A LYS 54 ? A LYS 31 32 1 Y 1 A CYS 55 ? A CYS 32 33 1 Y 1 A THR 56 ? A THR 33 34 1 Y 1 A GLU 57 ? A GLU 34 35 1 Y 1 A ARG 58 ? A ARG 35 36 1 Y 1 A LYS 59 ? A LYS 36 37 1 Y 1 A ALA 60 ? A ALA 37 38 1 Y 1 A CYS 61 ? A CYS 38 39 1 Y 1 A CYS 62 ? A CYS 39 40 1 Y 1 A TRP 63 ? A TRP 40 41 1 Y 1 A ASP 64 ? A ASP 41 42 1 Y 1 A SER 126 ? A SER 103 43 1 Y 1 A SER 127 ? A SER 104 44 1 Y 1 A SER 128 ? A SER 105 45 1 Y 1 A ALA 129 ? A ALA 106 46 1 Y 1 A VAL 628 ? A VAL 605 47 1 Y 1 A LYS 629 ? A LYS 606 48 1 Y 1 A PRO 630 ? A PRO 607 49 1 Y 1 A THR 631 ? A THR 608 50 1 Y 1 A SER 632 ? A SER 609 51 1 Y 1 A ALA 633 ? A ALA 610 52 1 Y 1 A PRO 634 ? A PRO 611 53 1 Y 1 A ASN 853 ? A ASN 830 # _pdbx_audit_support.funding_organization MOST _pdbx_audit_support.country Taiwan _pdbx_audit_support.grant_number ? _pdbx_audit_support.ordinal 1 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 N-ACETYL-D-GLUCOSAMINE NAG 3 BETA-D-MANNOSE BMA 4 ALPHA-D-MANNOSE MAN 5 ALPHA-L-FUCOSE FUC 6 'ZINC ION' ZN 7 'CALCIUM ION' CA 8 'ADENOSINE MONOPHOSPHATE' AMP 9 water HOH #