data_4OU3 # _entry.id 4OU3 # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.279 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 4OU3 RCSB RCSB084949 WWPDB D_1000084949 # _pdbx_database_related.db_name PDB _pdbx_database_related.db_id 4FKE _pdbx_database_related.details 'Crystal structure of porcine aminopeptidase N' _pdbx_database_related.content_type unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 4OU3 _pdbx_database_status.recvd_initial_deposition_date 2014-02-14 _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site RCSB _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.SG_entry ? _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 'Liu, C.' 1 'Yang, Y.' 2 'Chen, L.' 3 'Lin, Y.-L.' 4 'Li, F.' 5 # _citation.id primary _citation.title 'A Unified Mechanism for Aminopeptidase N-based Tumor Cell Motility and Tumor-homing Therapy.' _citation.journal_abbrev J.Biol.Chem. _citation.journal_volume 289 _citation.page_first 34520 _citation.page_last 34529 _citation.year 2014 _citation.journal_id_ASTM JBCHA3 _citation.country US _citation.journal_id_ISSN 0021-9258 _citation.journal_id_CSD 0071 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 25359769 _citation.pdbx_database_id_DOI 10.1074/jbc.M114.566802 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Liu, C.' 1 primary 'Yang, Y.' 2 primary 'Chen, L.' 3 primary 'Lin, Y.L.' 4 primary 'Li, F.' 5 # _cell.entry_id 4OU3 _cell.length_a 260.323 _cell.length_b 62.879 _cell.length_c 82.023 _cell.angle_alpha 90.00 _cell.angle_beta 100.59 _cell.angle_gamma 90.00 _cell.Z_PDB 4 _cell.pdbx_unique_axis ? _cell.length_a_esd ? _cell.length_b_esd ? _cell.length_c_esd ? _cell.angle_alpha_esd ? _cell.angle_beta_esd ? _cell.angle_gamma_esd ? # _symmetry.entry_id 4OU3 _symmetry.space_group_name_H-M 'C 1 2 1' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 5 _symmetry.space_group_name_Hall ? # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details 1 polymer man 'Aminopeptidase N' 103521.156 1 3.4.11.2 ? 'UNP residues 63-963' ? 2 polymer syn 'tumor-homing peptide' 609.701 1 ? ? ? ? 3 non-polymer syn 'ZINC ION' 65.409 1 ? ? ? ? 4 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 18 ? ? ? ? 5 non-polymer syn 'SULFATE ION' 96.063 10 ? ? ? ? 6 water nat water 18.015 906 ? ? ? ? # _entity_name_com.entity_id 1 _entity_name_com.name 'AP-N, pAPN, Alanyl aminopeptidase, Aminopeptidase M, AP-M, Microsomal aminopeptidase, gp130' # loop_ _entity_poly.entity_id _entity_poly.type _entity_poly.nstd_linkage _entity_poly.nstd_monomer _entity_poly.pdbx_seq_one_letter_code _entity_poly.pdbx_seq_one_letter_code_can _entity_poly.pdbx_strand_id _entity_poly.pdbx_target_identifier 1 'polypeptide(L)' no no ;QSKPWNRYRLPTTLLPDSYNVTLRPYLTPNADGLYIFKGKSIVRFLCQEPTDVIIIHSKKLNYTTQGHMVVLRGVGDSQV PEIDRTELVELTEYLVVHLKGSLQPGHMYEMESEFQGELADDLAGFYRSEYMEGNVKKVLATTQMQSTDARKSFPCFDEP AMKATFNITLIHPNNLTALSNMPPKGSSTPLAEDPNWSVTEFETTPVMSTYLLAYIVSEFQSVNETAQNGVLIRIWARPN AIAEGHGMYALNVTGPILNFFANHYNTSYPLPKSDQIALPDFNAGAMENWGLVTYRENALLFDPQSSSISNKERVVTVIA HELAHQWFGNLVTLAWWNDLWLNEGFASYVEYLGADHAEPTWNLKDLIVPGDVYRVMAVDALASSHPLTTPAEEVNTPAQ ISEMFDSISYSKGASVIRMLSNFLTEDLFKEGLASYLHAFAYQNTTYLDLWEHLQKAVDAQTSIRLPDTVRAIMDRWTLQ MGFPVITVDTKTGNISQKHFLLDSESNVTRSSAFDYLWIVPISSIKNGVMQDHYWLRDVSQAQNDLFKTASDDWVLLNVN VTGYFQVNYDEDNWRMIQHQLQTNLSVIPVINRAQVIYDSFNLATAHMVPVTLALDNTLFLNGEKEYMPWQAALSSLSYF SLMFDRSEVYGPMKKYLRKQVEPLFQHFETLTKNWTERPENLMDQYSEINAISTACSNGLPQCENLAKTLFDQWMSDPEN NPIHPNLRSTIYCNAIAQGGQDQWDFAWGQLQQAQLVNEADKLRSALACSNEVWLLNRYLGYTLNPDLIRKQDATSTINS IASNVIGQPLAWDFVQSNWKKLFQDYGGGSFSFSNLIQGVTRRFSSEFELQQLEQFKKNNMDVGFGSGTRALEQALEKTK ANIKWVKENKEVVLNWFIEHSSHHHHHH ; ;QSKPWNRYRLPTTLLPDSYNVTLRPYLTPNADGLYIFKGKSIVRFLCQEPTDVIIIHSKKLNYTTQGHMVVLRGVGDSQV PEIDRTELVELTEYLVVHLKGSLQPGHMYEMESEFQGELADDLAGFYRSEYMEGNVKKVLATTQMQSTDARKSFPCFDEP AMKATFNITLIHPNNLTALSNMPPKGSSTPLAEDPNWSVTEFETTPVMSTYLLAYIVSEFQSVNETAQNGVLIRIWARPN AIAEGHGMYALNVTGPILNFFANHYNTSYPLPKSDQIALPDFNAGAMENWGLVTYRENALLFDPQSSSISNKERVVTVIA HELAHQWFGNLVTLAWWNDLWLNEGFASYVEYLGADHAEPTWNLKDLIVPGDVYRVMAVDALASSHPLTTPAEEVNTPAQ ISEMFDSISYSKGASVIRMLSNFLTEDLFKEGLASYLHAFAYQNTTYLDLWEHLQKAVDAQTSIRLPDTVRAIMDRWTLQ MGFPVITVDTKTGNISQKHFLLDSESNVTRSSAFDYLWIVPISSIKNGVMQDHYWLRDVSQAQNDLFKTASDDWVLLNVN VTGYFQVNYDEDNWRMIQHQLQTNLSVIPVINRAQVIYDSFNLATAHMVPVTLALDNTLFLNGEKEYMPWQAALSSLSYF SLMFDRSEVYGPMKKYLRKQVEPLFQHFETLTKNWTERPENLMDQYSEINAISTACSNGLPQCENLAKTLFDQWMSDPEN NPIHPNLRSTIYCNAIAQGGQDQWDFAWGQLQQAQLVNEADKLRSALACSNEVWLLNRYLGYTLNPDLIRKQDATSTINS IASNVIGQPLAWDFVQSNWKKLFQDYGGGSFSFSNLIQGVTRRFSSEFELQQLEQFKKNNMDVGFGSGTRALEQALEKTK ANIKWVKENKEVVLNWFIEHSSHHHHHH ; A ? 2 'polypeptide(L)' no no CNGRCG CNGRCG B ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 GLN n 1 2 SER n 1 3 LYS n 1 4 PRO n 1 5 TRP n 1 6 ASN n 1 7 ARG n 1 8 TYR n 1 9 ARG n 1 10 LEU n 1 11 PRO n 1 12 THR n 1 13 THR n 1 14 LEU n 1 15 LEU n 1 16 PRO n 1 17 ASP n 1 18 SER n 1 19 TYR n 1 20 ASN n 1 21 VAL n 1 22 THR n 1 23 LEU n 1 24 ARG n 1 25 PRO n 1 26 TYR n 1 27 LEU n 1 28 THR n 1 29 PRO n 1 30 ASN n 1 31 ALA n 1 32 ASP n 1 33 GLY n 1 34 LEU n 1 35 TYR n 1 36 ILE n 1 37 PHE n 1 38 LYS n 1 39 GLY n 1 40 LYS n 1 41 SER n 1 42 ILE n 1 43 VAL n 1 44 ARG n 1 45 PHE n 1 46 LEU n 1 47 CYS n 1 48 GLN n 1 49 GLU n 1 50 PRO n 1 51 THR n 1 52 ASP n 1 53 VAL n 1 54 ILE n 1 55 ILE n 1 56 ILE n 1 57 HIS n 1 58 SER n 1 59 LYS n 1 60 LYS n 1 61 LEU n 1 62 ASN n 1 63 TYR n 1 64 THR n 1 65 THR n 1 66 GLN n 1 67 GLY n 1 68 HIS n 1 69 MET n 1 70 VAL n 1 71 VAL n 1 72 LEU n 1 73 ARG n 1 74 GLY n 1 75 VAL n 1 76 GLY n 1 77 ASP n 1 78 SER n 1 79 GLN n 1 80 VAL n 1 81 PRO n 1 82 GLU n 1 83 ILE n 1 84 ASP n 1 85 ARG n 1 86 THR n 1 87 GLU n 1 88 LEU n 1 89 VAL n 1 90 GLU n 1 91 LEU n 1 92 THR n 1 93 GLU n 1 94 TYR n 1 95 LEU n 1 96 VAL n 1 97 VAL n 1 98 HIS n 1 99 LEU n 1 100 LYS n 1 101 GLY n 1 102 SER n 1 103 LEU n 1 104 GLN n 1 105 PRO n 1 106 GLY n 1 107 HIS n 1 108 MET n 1 109 TYR n 1 110 GLU n 1 111 MET n 1 112 GLU n 1 113 SER n 1 114 GLU n 1 115 PHE n 1 116 GLN n 1 117 GLY n 1 118 GLU n 1 119 LEU n 1 120 ALA n 1 121 ASP n 1 122 ASP n 1 123 LEU n 1 124 ALA n 1 125 GLY n 1 126 PHE n 1 127 TYR n 1 128 ARG n 1 129 SER n 1 130 GLU n 1 131 TYR n 1 132 MET n 1 133 GLU n 1 134 GLY n 1 135 ASN n 1 136 VAL n 1 137 LYS n 1 138 LYS n 1 139 VAL n 1 140 LEU n 1 141 ALA n 1 142 THR n 1 143 THR n 1 144 GLN n 1 145 MET n 1 146 GLN n 1 147 SER n 1 148 THR n 1 149 ASP n 1 150 ALA n 1 151 ARG n 1 152 LYS n 1 153 SER n 1 154 PHE n 1 155 PRO n 1 156 CYS n 1 157 PHE n 1 158 ASP n 1 159 GLU n 1 160 PRO n 1 161 ALA n 1 162 MET n 1 163 LYS n 1 164 ALA n 1 165 THR n 1 166 PHE n 1 167 ASN n 1 168 ILE n 1 169 THR n 1 170 LEU n 1 171 ILE n 1 172 HIS n 1 173 PRO n 1 174 ASN n 1 175 ASN n 1 176 LEU n 1 177 THR n 1 178 ALA n 1 179 LEU n 1 180 SER n 1 181 ASN n 1 182 MET n 1 183 PRO n 1 184 PRO n 1 185 LYS n 1 186 GLY n 1 187 SER n 1 188 SER n 1 189 THR n 1 190 PRO n 1 191 LEU n 1 192 ALA n 1 193 GLU n 1 194 ASP n 1 195 PRO n 1 196 ASN n 1 197 TRP n 1 198 SER n 1 199 VAL n 1 200 THR n 1 201 GLU n 1 202 PHE n 1 203 GLU n 1 204 THR n 1 205 THR n 1 206 PRO n 1 207 VAL n 1 208 MET n 1 209 SER n 1 210 THR n 1 211 TYR n 1 212 LEU n 1 213 LEU n 1 214 ALA n 1 215 TYR n 1 216 ILE n 1 217 VAL n 1 218 SER n 1 219 GLU n 1 220 PHE n 1 221 GLN n 1 222 SER n 1 223 VAL n 1 224 ASN n 1 225 GLU n 1 226 THR n 1 227 ALA n 1 228 GLN n 1 229 ASN n 1 230 GLY n 1 231 VAL n 1 232 LEU n 1 233 ILE n 1 234 ARG n 1 235 ILE n 1 236 TRP n 1 237 ALA n 1 238 ARG n 1 239 PRO n 1 240 ASN n 1 241 ALA n 1 242 ILE n 1 243 ALA n 1 244 GLU n 1 245 GLY n 1 246 HIS n 1 247 GLY n 1 248 MET n 1 249 TYR n 1 250 ALA n 1 251 LEU n 1 252 ASN n 1 253 VAL n 1 254 THR n 1 255 GLY n 1 256 PRO n 1 257 ILE n 1 258 LEU n 1 259 ASN n 1 260 PHE n 1 261 PHE n 1 262 ALA n 1 263 ASN n 1 264 HIS n 1 265 TYR n 1 266 ASN n 1 267 THR n 1 268 SER n 1 269 TYR n 1 270 PRO n 1 271 LEU n 1 272 PRO n 1 273 LYS n 1 274 SER n 1 275 ASP n 1 276 GLN n 1 277 ILE n 1 278 ALA n 1 279 LEU n 1 280 PRO n 1 281 ASP n 1 282 PHE n 1 283 ASN n 1 284 ALA n 1 285 GLY n 1 286 ALA n 1 287 MET n 1 288 GLU n 1 289 ASN n 1 290 TRP n 1 291 GLY n 1 292 LEU n 1 293 VAL n 1 294 THR n 1 295 TYR n 1 296 ARG n 1 297 GLU n 1 298 ASN n 1 299 ALA n 1 300 LEU n 1 301 LEU n 1 302 PHE n 1 303 ASP n 1 304 PRO n 1 305 GLN n 1 306 SER n 1 307 SER n 1 308 SER n 1 309 ILE n 1 310 SER n 1 311 ASN n 1 312 LYS n 1 313 GLU n 1 314 ARG n 1 315 VAL n 1 316 VAL n 1 317 THR n 1 318 VAL n 1 319 ILE n 1 320 ALA n 1 321 HIS n 1 322 GLU n 1 323 LEU n 1 324 ALA n 1 325 HIS n 1 326 GLN n 1 327 TRP n 1 328 PHE n 1 329 GLY n 1 330 ASN n 1 331 LEU n 1 332 VAL n 1 333 THR n 1 334 LEU n 1 335 ALA n 1 336 TRP n 1 337 TRP n 1 338 ASN n 1 339 ASP n 1 340 LEU n 1 341 TRP n 1 342 LEU n 1 343 ASN n 1 344 GLU n 1 345 GLY n 1 346 PHE n 1 347 ALA n 1 348 SER n 1 349 TYR n 1 350 VAL n 1 351 GLU n 1 352 TYR n 1 353 LEU n 1 354 GLY n 1 355 ALA n 1 356 ASP n 1 357 HIS n 1 358 ALA n 1 359 GLU n 1 360 PRO n 1 361 THR n 1 362 TRP n 1 363 ASN n 1 364 LEU n 1 365 LYS n 1 366 ASP n 1 367 LEU n 1 368 ILE n 1 369 VAL n 1 370 PRO n 1 371 GLY n 1 372 ASP n 1 373 VAL n 1 374 TYR n 1 375 ARG n 1 376 VAL n 1 377 MET n 1 378 ALA n 1 379 VAL n 1 380 ASP n 1 381 ALA n 1 382 LEU n 1 383 ALA n 1 384 SER n 1 385 SER n 1 386 HIS n 1 387 PRO n 1 388 LEU n 1 389 THR n 1 390 THR n 1 391 PRO n 1 392 ALA n 1 393 GLU n 1 394 GLU n 1 395 VAL n 1 396 ASN n 1 397 THR n 1 398 PRO n 1 399 ALA n 1 400 GLN n 1 401 ILE n 1 402 SER n 1 403 GLU n 1 404 MET n 1 405 PHE n 1 406 ASP n 1 407 SER n 1 408 ILE n 1 409 SER n 1 410 TYR n 1 411 SER n 1 412 LYS n 1 413 GLY n 1 414 ALA n 1 415 SER n 1 416 VAL n 1 417 ILE n 1 418 ARG n 1 419 MET n 1 420 LEU n 1 421 SER n 1 422 ASN n 1 423 PHE n 1 424 LEU n 1 425 THR n 1 426 GLU n 1 427 ASP n 1 428 LEU n 1 429 PHE n 1 430 LYS n 1 431 GLU n 1 432 GLY n 1 433 LEU n 1 434 ALA n 1 435 SER n 1 436 TYR n 1 437 LEU n 1 438 HIS n 1 439 ALA n 1 440 PHE n 1 441 ALA n 1 442 TYR n 1 443 GLN n 1 444 ASN n 1 445 THR n 1 446 THR n 1 447 TYR n 1 448 LEU n 1 449 ASP n 1 450 LEU n 1 451 TRP n 1 452 GLU n 1 453 HIS n 1 454 LEU n 1 455 GLN n 1 456 LYS n 1 457 ALA n 1 458 VAL n 1 459 ASP n 1 460 ALA n 1 461 GLN n 1 462 THR n 1 463 SER n 1 464 ILE n 1 465 ARG n 1 466 LEU n 1 467 PRO n 1 468 ASP n 1 469 THR n 1 470 VAL n 1 471 ARG n 1 472 ALA n 1 473 ILE n 1 474 MET n 1 475 ASP n 1 476 ARG n 1 477 TRP n 1 478 THR n 1 479 LEU n 1 480 GLN n 1 481 MET n 1 482 GLY n 1 483 PHE n 1 484 PRO n 1 485 VAL n 1 486 ILE n 1 487 THR n 1 488 VAL n 1 489 ASP n 1 490 THR n 1 491 LYS n 1 492 THR n 1 493 GLY n 1 494 ASN n 1 495 ILE n 1 496 SER n 1 497 GLN n 1 498 LYS n 1 499 HIS n 1 500 PHE n 1 501 LEU n 1 502 LEU n 1 503 ASP n 1 504 SER n 1 505 GLU n 1 506 SER n 1 507 ASN n 1 508 VAL n 1 509 THR n 1 510 ARG n 1 511 SER n 1 512 SER n 1 513 ALA n 1 514 PHE n 1 515 ASP n 1 516 TYR n 1 517 LEU n 1 518 TRP n 1 519 ILE n 1 520 VAL n 1 521 PRO n 1 522 ILE n 1 523 SER n 1 524 SER n 1 525 ILE n 1 526 LYS n 1 527 ASN n 1 528 GLY n 1 529 VAL n 1 530 MET n 1 531 GLN n 1 532 ASP n 1 533 HIS n 1 534 TYR n 1 535 TRP n 1 536 LEU n 1 537 ARG n 1 538 ASP n 1 539 VAL n 1 540 SER n 1 541 GLN n 1 542 ALA n 1 543 GLN n 1 544 ASN n 1 545 ASP n 1 546 LEU n 1 547 PHE n 1 548 LYS n 1 549 THR n 1 550 ALA n 1 551 SER n 1 552 ASP n 1 553 ASP n 1 554 TRP n 1 555 VAL n 1 556 LEU n 1 557 LEU n 1 558 ASN n 1 559 VAL n 1 560 ASN n 1 561 VAL n 1 562 THR n 1 563 GLY n 1 564 TYR n 1 565 PHE n 1 566 GLN n 1 567 VAL n 1 568 ASN n 1 569 TYR n 1 570 ASP n 1 571 GLU n 1 572 ASP n 1 573 ASN n 1 574 TRP n 1 575 ARG n 1 576 MET n 1 577 ILE n 1 578 GLN n 1 579 HIS n 1 580 GLN n 1 581 LEU n 1 582 GLN n 1 583 THR n 1 584 ASN n 1 585 LEU n 1 586 SER n 1 587 VAL n 1 588 ILE n 1 589 PRO n 1 590 VAL n 1 591 ILE n 1 592 ASN n 1 593 ARG n 1 594 ALA n 1 595 GLN n 1 596 VAL n 1 597 ILE n 1 598 TYR n 1 599 ASP n 1 600 SER n 1 601 PHE n 1 602 ASN n 1 603 LEU n 1 604 ALA n 1 605 THR n 1 606 ALA n 1 607 HIS n 1 608 MET n 1 609 VAL n 1 610 PRO n 1 611 VAL n 1 612 THR n 1 613 LEU n 1 614 ALA n 1 615 LEU n 1 616 ASP n 1 617 ASN n 1 618 THR n 1 619 LEU n 1 620 PHE n 1 621 LEU n 1 622 ASN n 1 623 GLY n 1 624 GLU n 1 625 LYS n 1 626 GLU n 1 627 TYR n 1 628 MET n 1 629 PRO n 1 630 TRP n 1 631 GLN n 1 632 ALA n 1 633 ALA n 1 634 LEU n 1 635 SER n 1 636 SER n 1 637 LEU n 1 638 SER n 1 639 TYR n 1 640 PHE n 1 641 SER n 1 642 LEU n 1 643 MET n 1 644 PHE n 1 645 ASP n 1 646 ARG n 1 647 SER n 1 648 GLU n 1 649 VAL n 1 650 TYR n 1 651 GLY n 1 652 PRO n 1 653 MET n 1 654 LYS n 1 655 LYS n 1 656 TYR n 1 657 LEU n 1 658 ARG n 1 659 LYS n 1 660 GLN n 1 661 VAL n 1 662 GLU n 1 663 PRO n 1 664 LEU n 1 665 PHE n 1 666 GLN n 1 667 HIS n 1 668 PHE n 1 669 GLU n 1 670 THR n 1 671 LEU n 1 672 THR n 1 673 LYS n 1 674 ASN n 1 675 TRP n 1 676 THR n 1 677 GLU n 1 678 ARG n 1 679 PRO n 1 680 GLU n 1 681 ASN n 1 682 LEU n 1 683 MET n 1 684 ASP n 1 685 GLN n 1 686 TYR n 1 687 SER n 1 688 GLU n 1 689 ILE n 1 690 ASN n 1 691 ALA n 1 692 ILE n 1 693 SER n 1 694 THR n 1 695 ALA n 1 696 CYS n 1 697 SER n 1 698 ASN n 1 699 GLY n 1 700 LEU n 1 701 PRO n 1 702 GLN n 1 703 CYS n 1 704 GLU n 1 705 ASN n 1 706 LEU n 1 707 ALA n 1 708 LYS n 1 709 THR n 1 710 LEU n 1 711 PHE n 1 712 ASP n 1 713 GLN n 1 714 TRP n 1 715 MET n 1 716 SER n 1 717 ASP n 1 718 PRO n 1 719 GLU n 1 720 ASN n 1 721 ASN n 1 722 PRO n 1 723 ILE n 1 724 HIS n 1 725 PRO n 1 726 ASN n 1 727 LEU n 1 728 ARG n 1 729 SER n 1 730 THR n 1 731 ILE n 1 732 TYR n 1 733 CYS n 1 734 ASN n 1 735 ALA n 1 736 ILE n 1 737 ALA n 1 738 GLN n 1 739 GLY n 1 740 GLY n 1 741 GLN n 1 742 ASP n 1 743 GLN n 1 744 TRP n 1 745 ASP n 1 746 PHE n 1 747 ALA n 1 748 TRP n 1 749 GLY n 1 750 GLN n 1 751 LEU n 1 752 GLN n 1 753 GLN n 1 754 ALA n 1 755 GLN n 1 756 LEU n 1 757 VAL n 1 758 ASN n 1 759 GLU n 1 760 ALA n 1 761 ASP n 1 762 LYS n 1 763 LEU n 1 764 ARG n 1 765 SER n 1 766 ALA n 1 767 LEU n 1 768 ALA n 1 769 CYS n 1 770 SER n 1 771 ASN n 1 772 GLU n 1 773 VAL n 1 774 TRP n 1 775 LEU n 1 776 LEU n 1 777 ASN n 1 778 ARG n 1 779 TYR n 1 780 LEU n 1 781 GLY n 1 782 TYR n 1 783 THR n 1 784 LEU n 1 785 ASN n 1 786 PRO n 1 787 ASP n 1 788 LEU n 1 789 ILE n 1 790 ARG n 1 791 LYS n 1 792 GLN n 1 793 ASP n 1 794 ALA n 1 795 THR n 1 796 SER n 1 797 THR n 1 798 ILE n 1 799 ASN n 1 800 SER n 1 801 ILE n 1 802 ALA n 1 803 SER n 1 804 ASN n 1 805 VAL n 1 806 ILE n 1 807 GLY n 1 808 GLN n 1 809 PRO n 1 810 LEU n 1 811 ALA n 1 812 TRP n 1 813 ASP n 1 814 PHE n 1 815 VAL n 1 816 GLN n 1 817 SER n 1 818 ASN n 1 819 TRP n 1 820 LYS n 1 821 LYS n 1 822 LEU n 1 823 PHE n 1 824 GLN n 1 825 ASP n 1 826 TYR n 1 827 GLY n 1 828 GLY n 1 829 GLY n 1 830 SER n 1 831 PHE n 1 832 SER n 1 833 PHE n 1 834 SER n 1 835 ASN n 1 836 LEU n 1 837 ILE n 1 838 GLN n 1 839 GLY n 1 840 VAL n 1 841 THR n 1 842 ARG n 1 843 ARG n 1 844 PHE n 1 845 SER n 1 846 SER n 1 847 GLU n 1 848 PHE n 1 849 GLU n 1 850 LEU n 1 851 GLN n 1 852 GLN n 1 853 LEU n 1 854 GLU n 1 855 GLN n 1 856 PHE n 1 857 LYS n 1 858 LYS n 1 859 ASN n 1 860 ASN n 1 861 MET n 1 862 ASP n 1 863 VAL n 1 864 GLY n 1 865 PHE n 1 866 GLY n 1 867 SER n 1 868 GLY n 1 869 THR n 1 870 ARG n 1 871 ALA n 1 872 LEU n 1 873 GLU n 1 874 GLN n 1 875 ALA n 1 876 LEU n 1 877 GLU n 1 878 LYS n 1 879 THR n 1 880 LYS n 1 881 ALA n 1 882 ASN n 1 883 ILE n 1 884 LYS n 1 885 TRP n 1 886 VAL n 1 887 LYS n 1 888 GLU n 1 889 ASN n 1 890 LYS n 1 891 GLU n 1 892 VAL n 1 893 VAL n 1 894 LEU n 1 895 ASN n 1 896 TRP n 1 897 PHE n 1 898 ILE n 1 899 GLU n 1 900 HIS n 1 901 SER n 1 902 SER n 1 903 HIS n 1 904 HIS n 1 905 HIS n 1 906 HIS n 1 907 HIS n 1 908 HIS n 2 1 CYS n 2 2 ASN n 2 3 GLY n 2 4 ARG n 2 5 CYS n 2 6 GLY n # _entity_src_gen.entity_id 1 _entity_src_gen.pdbx_src_id 1 _entity_src_gen.pdbx_alt_source_flag sample _entity_src_gen.pdbx_seq_type ? _entity_src_gen.pdbx_beg_seq_num ? _entity_src_gen.pdbx_end_seq_num ? _entity_src_gen.gene_src_common_name pig _entity_src_gen.gene_src_genus ? _entity_src_gen.pdbx_gene_src_gene ANPEP _entity_src_gen.gene_src_species ? _entity_src_gen.gene_src_strain ? _entity_src_gen.gene_src_tissue ? _entity_src_gen.gene_src_tissue_fraction ? _entity_src_gen.gene_src_details ? _entity_src_gen.pdbx_gene_src_fragment ? _entity_src_gen.pdbx_gene_src_scientific_name 'Sus scrofa' _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 9823 _entity_src_gen.pdbx_gene_src_variant ? _entity_src_gen.pdbx_gene_src_cell_line ? _entity_src_gen.pdbx_gene_src_atcc ? _entity_src_gen.pdbx_gene_src_organ ? _entity_src_gen.pdbx_gene_src_organelle ? _entity_src_gen.pdbx_gene_src_cell ? _entity_src_gen.pdbx_gene_src_cellular_location ? _entity_src_gen.host_org_common_name 'fall armyworm' _entity_src_gen.pdbx_host_org_scientific_name 'Spodoptera frugiperda' _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 7108 _entity_src_gen.host_org_genus ? _entity_src_gen.pdbx_host_org_gene ? _entity_src_gen.pdbx_host_org_organ ? _entity_src_gen.host_org_species ? _entity_src_gen.pdbx_host_org_tissue ? _entity_src_gen.pdbx_host_org_tissue_fraction ? _entity_src_gen.pdbx_host_org_strain Sf9 _entity_src_gen.pdbx_host_org_variant ? _entity_src_gen.pdbx_host_org_cell_line ? _entity_src_gen.pdbx_host_org_atcc ? _entity_src_gen.pdbx_host_org_culture_collection ? _entity_src_gen.pdbx_host_org_cell ? _entity_src_gen.pdbx_host_org_organelle ? _entity_src_gen.pdbx_host_org_cellular_location ? _entity_src_gen.pdbx_host_org_vector_type baculovirus _entity_src_gen.pdbx_host_org_vector ? _entity_src_gen.host_org_details ? _entity_src_gen.expression_system_id ? _entity_src_gen.plasmid_name pFastBac1 _entity_src_gen.plasmid_details ? _entity_src_gen.pdbx_description ? # loop_ _struct_ref.id _struct_ref.db_name _struct_ref.db_code _struct_ref.pdbx_db_accession _struct_ref.entity_id _struct_ref.pdbx_seq_one_letter_code _struct_ref.pdbx_align_begin _struct_ref.pdbx_db_isoform 1 UNP AMPN_PIG P15145 1 ;QSKPWNRYRLPTTLLPDSYNVTLRPYLTPNADGLYIFKGKSIVRLLCQEPTDVIIIHSKKLNYTTQGHMVVLRGVGDSQV PEIDRTELVELTEYLVVHLKGSLQPGHMYEMESEFQGELADDLAGFYRSEYMEGNVKKVLATTQMQSTDARKSFPCFDEP AMKATFNITLIHPNNLTALSNMPPKGSSTPLAEDPNWSVTEFETTPVMSTYLLAYIVSEFQSVNETAQNGVLIRIWARPN AIAEGHGMYALNVTGPILNFFANHYNTSYPLPKSDQIALPDFNAGAMENWGLVTYRENALLFDPQSSSISNKERVVTVIA HELAHQWFGNLVTLAWWNDLWLNEGFASYVEYLGADHAEPTWNLKDLIVPGDVYRVMAVDALASSHPLTTPAEEVNTPAQ ISEMFDSISYSKGASVIRMLSNFLTEDLFKEGLASYLHAFAYQNTTYLDLWEHLQKAVDAQTSIRLPDTVRAIMDRWTLQ MGFPVITVDTKTGNISQKHFLLDSESNVTRSSAFDYLWIVPISSIKNGVMQDHYWLRDVSQAQNDLFKTASDDWVLLNVN VTGYFQVNYDEDNWRMIQHQLQTNLSVIPVINRAQVIYDSFNLATAHMVPVTLALDNTLFLNGEKEYMPWQAALSSLSYF SLMFDRSEVYGPMKKYLRKQVEPLFQHFETLTKNWTERPENLMDQYSEINAISTACSNGLPQCENLAKTLFDQWMSDPEN NPIHPNLRSTIYCNAIAQGGQDQWDFAWGQLQQAQLVNEADKLRSALACSNEVWLLNRYLGYTLNPDLIRKQDATSTINS IASNVIGQPLAWDFVQSNWKKLFQDYGGGSFSFSNLIQGVTRRFSSEFELQQLEQFKKNNMDVGFGSGTRALEQALEKTK ANIKWVKENKEVVLNWFIEHS ; 63 ? 2 PDB 4OU3 4OU3 2 CNGRCG 1 ? # loop_ _struct_ref_seq.align_id _struct_ref_seq.ref_id _struct_ref_seq.pdbx_PDB_id_code _struct_ref_seq.pdbx_strand_id _struct_ref_seq.seq_align_beg _struct_ref_seq.pdbx_seq_align_beg_ins_code _struct_ref_seq.seq_align_end _struct_ref_seq.pdbx_seq_align_end_ins_code _struct_ref_seq.pdbx_db_accession _struct_ref_seq.db_align_beg _struct_ref_seq.pdbx_db_align_beg_ins_code _struct_ref_seq.db_align_end _struct_ref_seq.pdbx_db_align_end_ins_code _struct_ref_seq.pdbx_auth_seq_align_beg _struct_ref_seq.pdbx_auth_seq_align_end 1 1 4OU3 A 1 ? 901 ? P15145 63 ? 963 ? 63 963 2 2 4OU3 B 1 ? 6 ? 4OU3 1 ? 6 ? 1 6 # loop_ _struct_ref_seq_dif.align_id _struct_ref_seq_dif.pdbx_pdb_id_code _struct_ref_seq_dif.mon_id _struct_ref_seq_dif.pdbx_pdb_strand_id _struct_ref_seq_dif.seq_num _struct_ref_seq_dif.pdbx_pdb_ins_code _struct_ref_seq_dif.pdbx_seq_db_name _struct_ref_seq_dif.pdbx_seq_db_accession_code _struct_ref_seq_dif.db_mon_id _struct_ref_seq_dif.pdbx_seq_db_seq_num _struct_ref_seq_dif.details _struct_ref_seq_dif.pdbx_auth_seq_num _struct_ref_seq_dif.pdbx_ordinal 1 4OU3 PHE A 45 ? UNP P15145 LEU 107 CONFLICT 107 1 1 4OU3 SER A 902 ? UNP P15145 ? ? 'EXPRESSION TAG' 964 2 1 4OU3 HIS A 903 ? UNP P15145 ? ? 'EXPRESSION TAG' 965 3 1 4OU3 HIS A 904 ? UNP P15145 ? ? 'EXPRESSION TAG' 966 4 1 4OU3 HIS A 905 ? UNP P15145 ? ? 'EXPRESSION TAG' 967 5 1 4OU3 HIS A 906 ? UNP P15145 ? ? 'EXPRESSION TAG' 968 6 1 4OU3 HIS A 907 ? UNP P15145 ? ? 'EXPRESSION TAG' 969 7 1 4OU3 HIS A 908 ? UNP P15145 ? ? 'EXPRESSION TAG' 970 8 # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 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 SO4 non-polymer . 'SULFATE ION' ? 'O4 S -2' 96.063 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 ZN non-polymer . 'ZINC ION' ? 'Zn 2' 65.409 # _exptl.entry_id 4OU3 _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number ? # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 3.17 _exptl_crystal.density_percent_sol 61.18 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.preparation ? # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method 'VAPOR DIFFUSION, SITTING DROP' _exptl_crystal_grow.temp 277 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH 7.2 _exptl_crystal_grow.pdbx_details ;2 uL protein + 2 uL well solution (18% v/v PEG3350, 200 mM lithium sulfate, 100 mM HEPES, pH 7.2), VAPOR DIFFUSION, SITTING DROP, temperature 277K ; _exptl_crystal_grow.pdbx_pH_range ? # _diffrn.id 1 _diffrn.ambient_temp ? _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector CCD _diffrn_detector.type NOIR-1 _diffrn_detector.pdbx_collection_date 2013-01-14 _diffrn_detector.details ? # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.monochromator 'double crystal Si(111)' _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength . _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'ALS BEAMLINE 4.2.2' _diffrn_source.pdbx_synchrotron_site ALS _diffrn_source.pdbx_synchrotron_beamline 4.2.2 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_wavelength_list ? # _reflns.entry_id 4OU3 _reflns.observed_criterion_sigma_I ? _reflns.observed_criterion_sigma_F ? _reflns.d_resolution_low 50 _reflns.d_resolution_high 1.92 _reflns.number_obs 95642 _reflns.number_all ? _reflns.percent_possible_obs 97.9 _reflns.pdbx_Rmerge_I_obs 0.079 _reflns.pdbx_Rsym_value 0.079 _reflns.pdbx_netI_over_sigmaI 20.7 _reflns.B_iso_Wilson_estimate ? _reflns.pdbx_redundancy 3.8 _reflns.R_free_details ? _reflns.limit_h_max ? _reflns.limit_h_min ? _reflns.limit_k_max ? _reflns.limit_k_min ? _reflns.limit_l_max ? _reflns.limit_l_min ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_ordinal 1 _reflns.pdbx_diffrn_id 1 # _reflns_shell.d_res_high 1.92 _reflns_shell.d_res_low 1.96 _reflns_shell.percent_possible_all 97.0 _reflns_shell.Rmerge_I_obs 0.615 _reflns_shell.pdbx_Rsym_value 0.615 _reflns_shell.meanI_over_sigI_obs 1.7 _reflns_shell.pdbx_redundancy 3.9 _reflns_shell.percent_possible_obs ? _reflns_shell.number_unique_all ? _reflns_shell.number_measured_all ? _reflns_shell.number_measured_obs ? _reflns_shell.number_unique_obs ? _reflns_shell.pdbx_chi_squared ? _reflns_shell.pdbx_ordinal 1 _reflns_shell.pdbx_diffrn_id 1 # _refine.entry_id 4OU3 _refine.ls_number_reflns_obs 88648 _refine.ls_number_reflns_all ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F ? _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 50.00 _refine.ls_d_res_high 1.95 _refine.ls_percent_reflns_obs 97.85 _refine.ls_R_factor_obs 0.14285 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.14038 _refine.ls_R_factor_R_free 0.18956 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 5.0 _refine.ls_number_reflns_R_free 4699 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc 0.974 _refine.correlation_coeff_Fo_to_Fc_free 0.957 _refine.B_iso_mean 49.799 _refine.aniso_B[1][1] -0.59 _refine.aniso_B[2][2] 0.35 _refine.aniso_B[3][3] 0.35 _refine.aniso_B[1][2] 0.00 _refine.aniso_B[1][3] -0.35 _refine.aniso_B[2][3] 0.00 _refine.solvent_model_details MASK _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_solvent_vdw_probe_radii 1.40 _refine.pdbx_solvent_ion_probe_radii 0.80 _refine.pdbx_solvent_shrinkage_radii 0.80 _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.details ? _refine.pdbx_starting_model 'PDB ENTRY 4FKE' _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD' _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_overall_ESU_R 0.248 _refine.pdbx_overall_ESU_R_Free 0.118 _refine.overall_SU_ML 0.086 _refine.pdbx_overall_phase_error ? _refine.overall_SU_B 6.845 _refine.overall_SU_R_Cruickshank_DPI ? _refine.ls_redundancy_reflns_obs ? _refine.B_iso_min ? _refine.B_iso_max ? _refine.overall_SU_R_free ? _refine.ls_wR_factor_R_free ? _refine.ls_wR_factor_R_work ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set ? _refine.pdbx_diffrn_id 1 _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.pdbx_TLS_residual_ADP_flag ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 7281 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 303 _refine_hist.number_atoms_solvent 906 _refine_hist.number_atoms_total 8490 _refine_hist.d_res_high 1.95 _refine_hist.d_res_low 50.00 # loop_ _refine_ls_restr.type _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.number _refine_ls_restr.pdbx_restraint_function _refine_ls_restr.pdbx_refine_id r_bond_refined_d 0.012 0.020 ? 7864 ? 'X-RAY DIFFRACTION' r_bond_other_d ? ? ? ? ? 'X-RAY DIFFRACTION' r_angle_refined_deg 1.614 1.993 ? 10747 ? 'X-RAY DIFFRACTION' r_angle_other_deg ? ? ? ? ? 'X-RAY DIFFRACTION' r_dihedral_angle_1_deg 6.328 5.000 ? 906 ? 'X-RAY DIFFRACTION' r_dihedral_angle_2_deg 40.055 24.946 ? 368 ? 'X-RAY DIFFRACTION' r_dihedral_angle_3_deg 14.424 15.000 ? 1223 ? 'X-RAY DIFFRACTION' r_dihedral_angle_4_deg 16.523 15.000 ? 32 ? 'X-RAY DIFFRACTION' r_chiral_restr 0.098 0.200 ? 1232 ? 'X-RAY DIFFRACTION' r_gen_planes_refined 0.008 0.021 ? 5927 ? 'X-RAY DIFFRACTION' r_gen_planes_other ? ? ? ? ? 'X-RAY DIFFRACTION' r_nbd_refined ? ? ? ? ? 'X-RAY DIFFRACTION' r_nbd_other ? ? ? ? ? 'X-RAY DIFFRACTION' r_nbtor_refined ? ? ? ? ? 'X-RAY DIFFRACTION' r_nbtor_other ? ? ? ? ? 'X-RAY DIFFRACTION' r_xyhbond_nbd_refined ? ? ? ? ? 'X-RAY DIFFRACTION' r_xyhbond_nbd_other ? ? ? ? ? 'X-RAY DIFFRACTION' r_metal_ion_refined ? ? ? ? ? 'X-RAY DIFFRACTION' r_metal_ion_other ? ? ? ? ? 'X-RAY DIFFRACTION' r_symmetry_vdw_refined ? ? ? ? ? 'X-RAY DIFFRACTION' r_symmetry_vdw_other ? ? ? ? ? 'X-RAY DIFFRACTION' r_symmetry_hbond_refined ? ? ? ? ? 'X-RAY DIFFRACTION' r_symmetry_hbond_other ? ? ? ? ? 'X-RAY DIFFRACTION' r_symmetry_metal_ion_refined ? ? ? ? ? 'X-RAY DIFFRACTION' r_symmetry_metal_ion_other ? ? ? ? ? 'X-RAY DIFFRACTION' r_mcbond_it 5.551 4.528 ? 3630 ? 'X-RAY DIFFRACTION' r_mcbond_other ? ? ? ? ? 'X-RAY DIFFRACTION' r_mcangle_it 6.611 6.782 ? 4534 ? 'X-RAY DIFFRACTION' r_mcangle_other ? ? ? ? ? 'X-RAY DIFFRACTION' r_scbond_it 10.842 5.148 ? 4233 ? 'X-RAY DIFFRACTION' r_scbond_other ? ? ? ? ? 'X-RAY DIFFRACTION' r_scangle_it ? ? ? ? ? 'X-RAY DIFFRACTION' r_scangle_other ? ? ? ? ? 'X-RAY DIFFRACTION' r_long_range_B_refined 10.931 40.786 ? 13470 ? 'X-RAY DIFFRACTION' r_long_range_B_other ? ? ? ? ? 'X-RAY DIFFRACTION' r_rigid_bond_restr 3.225 3.000 ? 7863 ? 'X-RAY DIFFRACTION' r_sphericity_free 22.470 5.000 ? 335 ? 'X-RAY DIFFRACTION' r_sphericity_bonded 43.043 5.000 ? 8290 ? 'X-RAY DIFFRACTION' # _refine_ls_shell.pdbx_total_number_of_bins_used 10 _refine_ls_shell.d_res_high 1.950 _refine_ls_shell.d_res_low 2.055 _refine_ls_shell.number_reflns_R_work 12634 _refine_ls_shell.R_factor_R_work 0.191 _refine_ls_shell.percent_reflns_obs 96.54 _refine_ls_shell.R_factor_R_free 0.257 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.number_reflns_R_free 674 _refine_ls_shell.number_reflns_all ? _refine_ls_shell.R_factor_all ? _refine_ls_shell.number_reflns_obs ? _refine_ls_shell.redundancy_reflns_obs ? _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' # _struct.entry_id 4OU3 _struct.title 'Crystal structure of porcine aminopeptidase N complexed with CNGRCG tumor-homing peptide' _struct.pdbx_descriptor 'Aminopeptidase N (E.C.3.4.11.2), tumor-homing peptide' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 4OU3 _struct_keywords.pdbx_keywords 'HYDROLASE/PROTEIN BINDING' _struct_keywords.text 'zinc-aminopeptidase, HYDROLASE-PROTEIN BINDING complex' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 3 ? D N N 4 ? E N N 4 ? F N N 4 ? G N N 4 ? H N N 4 ? I N N 4 ? J N N 4 ? K N N 4 ? L N N 4 ? M N N 4 ? N N N 4 ? O N N 4 ? P N N 4 ? Q N N 4 ? R N N 4 ? S N N 4 ? T N N 4 ? U N N 4 ? V N N 5 ? W N N 5 ? X N N 5 ? Y N N 5 ? Z N N 5 ? AA N N 5 ? BA N N 5 ? CA N N 5 ? DA N N 5 ? EA N N 5 ? FA N N 6 ? GA N N 6 ? # _struct_biol.id 1 _struct_biol.details ? # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 1 LYS A 3 ? ARG A 7 ? LYS A 65 ARG A 69 5 ? 5 HELX_P HELX_P2 2 ASP A 149 ? SER A 153 ? ASP A 211 SER A 215 5 ? 5 HELX_P HELX_P3 3 SER A 209 ? LEU A 213 ? SER A 271 LEU A 275 5 ? 5 HELX_P HELX_P4 4 ARG A 238 ? GLU A 244 ? ARG A 300 GLU A 306 1 ? 7 HELX_P HELX_P5 5 GLY A 247 ? TYR A 265 ? GLY A 309 TYR A 327 1 ? 19 HELX_P HELX_P6 6 GLU A 297 ? LEU A 301 ? GLU A 359 LEU A 363 1 ? 5 HELX_P HELX_P7 7 SER A 308 ? HIS A 325 ? SER A 370 HIS A 387 1 ? 18 HELX_P HELX_P8 8 TRP A 336 ? ASN A 338 ? TRP A 398 ASN A 400 5 ? 3 HELX_P HELX_P9 9 ASP A 339 ? GLU A 359 ? ASP A 401 GLU A 421 1 ? 21 HELX_P HELX_P10 10 ASN A 363 ? ASP A 366 ? ASN A 425 ASP A 428 5 ? 4 HELX_P HELX_P11 11 LEU A 367 ? ASP A 372 ? LEU A 429 ASP A 434 1 ? 6 HELX_P HELX_P12 12 ASP A 372 ? ALA A 381 ? ASP A 434 ALA A 443 1 ? 10 HELX_P HELX_P13 13 PRO A 391 ? VAL A 395 ? PRO A 453 VAL A 457 5 ? 5 HELX_P HELX_P14 14 THR A 397 ? GLU A 403 ? THR A 459 GLU A 465 1 ? 7 HELX_P HELX_P15 15 ASP A 406 ? THR A 425 ? ASP A 468 THR A 487 1 ? 20 HELX_P HELX_P16 16 THR A 425 ? ALA A 441 ? THR A 487 ALA A 503 1 ? 17 HELX_P HELX_P17 17 THR A 446 ? ALA A 460 ? THR A 508 ALA A 522 1 ? 15 HELX_P HELX_P18 18 THR A 469 ? LEU A 479 ? THR A 531 LEU A 541 1 ? 11 HELX_P HELX_P19 19 ASP A 545 ? LYS A 548 ? ASP A 607 LYS A 610 5 ? 4 HELX_P HELX_P20 20 VAL A 559 ? THR A 562 ? VAL A 621 THR A 624 5 ? 4 HELX_P HELX_P21 21 ASP A 570 ? ASN A 584 ? ASP A 632 ASN A 646 1 ? 15 HELX_P HELX_P22 22 LEU A 585 ? ILE A 588 ? LEU A 647 ILE A 650 5 ? 4 HELX_P HELX_P23 23 PRO A 589 ? ALA A 606 ? PRO A 651 ALA A 668 1 ? 18 HELX_P HELX_P24 24 PRO A 610 ? ASN A 617 ? PRO A 672 ASN A 679 1 ? 8 HELX_P HELX_P25 25 THR A 618 ? GLU A 624 ? THR A 680 GLU A 686 5 ? 7 HELX_P HELX_P26 26 GLU A 626 ? ASP A 645 ? GLU A 688 ASP A 707 1 ? 20 HELX_P HELX_P27 27 VAL A 649 ? THR A 672 ? VAL A 711 THR A 734 1 ? 24 HELX_P HELX_P28 28 ASN A 681 ? ASN A 698 ? ASN A 743 ASN A 760 1 ? 18 HELX_P HELX_P29 29 LEU A 700 ? SER A 716 ? LEU A 762 SER A 778 1 ? 17 HELX_P HELX_P30 30 LEU A 727 ? GLY A 739 ? LEU A 789 GLY A 801 1 ? 13 HELX_P HELX_P31 31 GLY A 740 ? ALA A 754 ? GLY A 802 ALA A 816 1 ? 15 HELX_P HELX_P32 32 LEU A 756 ? ALA A 768 ? LEU A 818 ALA A 830 1 ? 13 HELX_P HELX_P33 33 GLU A 772 ? THR A 783 ? GLU A 834 THR A 845 1 ? 12 HELX_P HELX_P34 34 ARG A 790 ? GLN A 792 ? ARG A 852 GLN A 854 5 ? 3 HELX_P HELX_P35 35 ASP A 793 ? ASN A 804 ? ASP A 855 ASN A 866 1 ? 12 HELX_P HELX_P36 36 ILE A 806 ? TRP A 819 ? ILE A 868 TRP A 881 1 ? 14 HELX_P HELX_P37 37 LYS A 820 ? LEU A 822 ? LYS A 882 LEU A 884 5 ? 3 HELX_P HELX_P38 38 SER A 832 ? ARG A 842 ? SER A 894 ARG A 904 1 ? 11 HELX_P HELX_P39 39 SER A 846 ? LYS A 858 ? SER A 908 LYS A 920 1 ? 13 HELX_P HELX_P40 40 PHE A 865 ? THR A 869 ? PHE A 927 THR A 931 5 ? 5 HELX_P HELX_P41 41 LEU A 872 ? SER A 901 ? LEU A 934 SER A 963 1 ? 30 # _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 696 SG ? ? ? 1_555 A CYS 703 SG ? ? A CYS 758 A CYS 765 1_555 ? ? ? ? ? ? ? 2.069 ? disulf2 disulf ? ? A CYS 733 SG ? ? ? 1_555 A CYS 769 SG ? ? A CYS 795 A CYS 831 1_555 ? ? ? ? ? ? ? 2.061 ? disulf3 disulf ? ? B CYS 1 SG ? ? ? 1_555 B CYS 5 SG ? ? B CYS 1 B CYS 5 1_555 ? ? ? ? ? ? ? 1.955 ? covale1 covale ? ? A ASN 444 ND2 ? ? ? 1_555 P NAG . C1 ? ? A ASN 506 A NAG 1014 1_555 ? ? ? ? ? ? ? 1.409 ? covale2 covale ? ? N NAG . O4 ? ? ? 1_555 O NAG . C1 ? ? A NAG 1012 A NAG 1013 1_555 ? ? ? ? ? ? ? 1.422 ? covale3 covale ? ? H NAG . O4 ? ? ? 1_555 I NAG . C1 ? ? A NAG 1006 A NAG 1007 1_555 ? ? ? ? ? ? ? 1.425 ? covale4 covale ? ? J NAG . O4 ? ? ? 1_555 K NAG . C1 ? ? A NAG 1008 A NAG 1009 1_555 ? ? ? ? ? ? ? 1.428 ? covale5 covale ? ? A ASN 62 ND2 ? ? ? 1_555 F NAG . C1 ? ? A ASN 124 A NAG 1004 1_555 ? ? ? ? ? ? ? 1.432 ? covale6 covale ? ? A ASN 175 ND2 ? ? ? 1_555 J NAG . C1 ? ? A ASN 237 A NAG 1008 1_555 ? ? ? ? ? ? ? 1.434 ? covale7 covale ? ? S NAG . O4 ? ? ? 1_555 T NAG . C1 ? ? A NAG 1017 A NAG 1018 1_555 ? ? ? ? ? ? ? 1.437 ? covale8 covale ? ? A ASN 494 ND2 ? ? ? 1_555 R NAG . C1 ? ? A ASN 556 A NAG 1016 1_555 ? ? ? ? ? ? ? 1.439 ? covale9 covale ? ? F NAG . O4 ? ? ? 1_555 G NAG . C1 ? ? A NAG 1004 A NAG 1005 1_555 ? ? ? ? ? ? ? 1.439 ? covale10 covale ? ? A ASN 252 ND2 ? ? ? 1_555 L NAG . C1 ? ? A ASN 314 A NAG 1010 1_555 ? ? ? ? ? ? ? 1.440 ? covale11 covale ? ? L NAG . O4 ? ? ? 1_555 M NAG . C1 ? ? A NAG 1010 A NAG 1011 1_555 ? ? ? ? ? ? ? 1.442 ? covale12 covale ? ? D NAG . O4 ? ? ? 1_555 E NAG . C1 ? ? A NAG 1002 A NAG 1003 1_555 ? ? ? ? ? ? ? 1.452 ? covale13 covale ? ? A ASN 167 ND2 ? ? ? 1_555 H NAG . C1 ? ? A ASN 229 A NAG 1006 1_555 ? ? ? ? ? ? ? 1.455 ? covale14 covale ? ? A ASN 20 ND2 ? ? ? 1_555 D NAG . C1 ? ? A ASN 82 A NAG 1002 1_555 ? ? ? ? ? ? ? 1.460 ? covale15 covale ? ? A ASN 584 ND2 ? ? ? 1_555 U NAG . C1 ? ? A ASN 646 A NAG 1019 1_555 ? ? ? ? ? ? ? 1.471 ? covale16 covale ? ? A ASN 266 ND2 ? ? ? 1_555 N NAG . C1 ? ? A ASN 328 A NAG 1012 1_555 ? ? ? ? ? ? ? 1.471 ? covale17 covale ? ? P NAG . O4 ? ? ? 1_555 Q NAG . C1 ? ? A NAG 1014 A NAG 1015 1_555 ? ? ? ? ? ? ? 1.474 ? covale18 covale ? ? A ASN 560 ND2 ? ? ? 1_555 S NAG . C1 ? ? A ASN 622 A NAG 1017 1_555 ? ? ? ? ? ? ? 1.524 ? metalc1 metalc ? ? A GLU 344 OE2 ? ? ? 1_555 C ZN . ZN ? ? A GLU 406 A ZN 1001 1_555 ? ? ? ? ? ? ? 2.048 ? metalc2 metalc ? ? A HIS 325 NE2 ? ? ? 1_555 C ZN . ZN ? ? A HIS 387 A ZN 1001 1_555 ? ? ? ? ? ? ? 2.049 ? metalc3 metalc ? ? A HIS 321 NE2 ? ? ? 1_555 C ZN . ZN ? ? A HIS 383 A ZN 1001 1_555 ? ? ? ? ? ? ? 2.119 ? metalc4 metalc ? ? C ZN . ZN ? ? ? 1_555 FA HOH . O ? ? A ZN 1001 A HOH 1232 1_555 ? ? ? ? ? ? ? 2.218 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? metalc ? ? # _struct_mon_prot_cis.pdbx_id 1 _struct_mon_prot_cis.label_comp_id GLN _struct_mon_prot_cis.label_seq_id 146 _struct_mon_prot_cis.label_asym_id A _struct_mon_prot_cis.label_alt_id . _struct_mon_prot_cis.pdbx_PDB_ins_code ? _struct_mon_prot_cis.auth_comp_id GLN _struct_mon_prot_cis.auth_seq_id 208 _struct_mon_prot_cis.auth_asym_id A _struct_mon_prot_cis.pdbx_label_comp_id_2 SER _struct_mon_prot_cis.pdbx_label_seq_id_2 147 _struct_mon_prot_cis.pdbx_label_asym_id_2 A _struct_mon_prot_cis.pdbx_PDB_ins_code_2 ? _struct_mon_prot_cis.pdbx_auth_comp_id_2 SER _struct_mon_prot_cis.pdbx_auth_seq_id_2 209 _struct_mon_prot_cis.pdbx_auth_asym_id_2 A _struct_mon_prot_cis.pdbx_PDB_model_num 1 _struct_mon_prot_cis.pdbx_omega_angle -3.85 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details A ? 3 ? B ? 7 ? C ? 3 ? D ? 2 ? E ? 2 ? F ? 5 ? G ? 2 ? H ? 4 ? I ? 2 ? J ? 3 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense A 1 2 ? anti-parallel A 2 3 ? anti-parallel B 1 2 ? anti-parallel B 2 3 ? anti-parallel B 3 4 ? anti-parallel B 4 5 ? parallel B 5 6 ? anti-parallel B 6 7 ? anti-parallel C 1 2 ? anti-parallel C 2 3 ? anti-parallel D 1 2 ? anti-parallel E 1 2 ? anti-parallel F 1 2 ? anti-parallel F 2 3 ? parallel F 3 4 ? parallel F 4 5 ? anti-parallel G 1 2 ? parallel H 1 2 ? anti-parallel H 2 3 ? anti-parallel H 3 4 ? parallel I 1 2 ? anti-parallel J 1 2 ? anti-parallel J 2 3 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id A 1 ASN A 62 ? TYR A 63 ? ASN A 124 TYR A 125 A 2 MET A 108 ? GLU A 118 ? MET A 170 GLU A 180 A 3 VAL A 71 ? GLY A 74 ? VAL A 133 GLY A 136 B 1 ASN A 62 ? TYR A 63 ? ASN A 124 TYR A 125 B 2 MET A 108 ? GLU A 118 ? MET A 170 GLU A 180 B 3 ILE A 36 ? CYS A 47 ? ILE A 98 CYS A 109 B 4 LEU A 14 ? PRO A 25 ? LEU A 76 PRO A 87 B 5 THR A 165 ? PRO A 173 ? THR A 227 PRO A 235 B 6 TRP A 197 ? GLU A 201 ? TRP A 259 GLU A 263 B 7 THR A 189 ? PRO A 190 ? THR A 251 PRO A 252 C 1 THR A 51 ? HIS A 57 ? THR A 113 HIS A 119 C 2 TYR A 94 ? LEU A 103 ? TYR A 156 LEU A 165 C 3 ILE A 83 ? VAL A 89 ? ILE A 145 VAL A 151 D 1 GLY A 125 ? GLU A 133 ? GLY A 187 GLU A 195 D 2 VAL A 136 ? GLN A 144 ? VAL A 198 GLN A 206 E 1 THR A 177 ? SER A 180 ? THR A 239 SER A 242 E 2 TYR A 215 ? SER A 218 ? TYR A 277 SER A 280 F 1 GLN A 221 ? THR A 226 ? GLN A 283 THR A 288 F 2 LEU A 232 ? ALA A 237 ? LEU A 294 ALA A 299 F 3 LYS A 273 ? LEU A 279 ? LYS A 335 LEU A 341 F 4 LEU A 292 ? ARG A 296 ? LEU A 354 ARG A 358 F 5 ALA A 286 ? MET A 287 ? ALA A 348 MET A 349 G 1 VAL A 332 ? LEU A 334 ? VAL A 394 LEU A 396 G 2 GLN A 443 ? THR A 445 ? GLN A 505 THR A 507 H 1 GLN A 541 ? GLN A 543 ? GLN A 603 GLN A 605 H 2 ASN A 494 ? HIS A 499 ? ASN A 556 HIS A 561 H 3 PRO A 484 ? VAL A 488 ? PRO A 546 VAL A 550 H 4 GLN A 566 ? TYR A 569 ? GLN A 628 TYR A 631 I 1 VAL A 520 ? ILE A 522 ? VAL A 582 ILE A 584 I 2 TYR A 534 ? LEU A 536 ? TYR A 596 LEU A 598 J 1 VAL A 529 ? MET A 530 ? VAL A 591 MET A 592 J 2 SER A 524 ? LYS A 526 ? SER A 586 LYS A 588 J 3 VAL A 555 ? LEU A 557 ? VAL A 617 LEU A 619 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id A 1 2 N ASN A 62 ? N ASN A 124 O GLN A 116 ? O GLN A 178 A 2 3 O GLU A 110 ? O GLU A 172 N ARG A 73 ? N ARG A 135 B 1 2 N ASN A 62 ? N ASN A 124 O GLN A 116 ? O GLN A 178 B 2 3 O TYR A 109 ? O TYR A 171 N PHE A 45 ? N PHE A 107 B 3 4 O ARG A 44 ? O ARG A 106 N ASP A 17 ? N ASP A 79 B 4 5 N TYR A 19 ? N TYR A 81 O ASN A 167 ? O ASN A 229 B 5 6 N HIS A 172 ? N HIS A 234 O SER A 198 ? O SER A 260 B 6 7 O VAL A 199 ? O VAL A 261 N THR A 189 ? N THR A 251 C 1 2 N THR A 51 ? N THR A 113 O LEU A 103 ? O LEU A 165 C 2 3 O HIS A 98 ? O HIS A 160 N ASP A 84 ? N ASP A 146 D 1 2 N TYR A 131 ? N TYR A 193 O LYS A 138 ? O LYS A 200 E 1 2 N THR A 177 ? N THR A 239 O SER A 218 ? O SER A 280 F 1 2 N GLU A 225 ? N GLU A 287 O ILE A 233 ? O ILE A 295 F 2 3 N TRP A 236 ? N TRP A 298 O GLN A 276 ? O GLN A 338 F 3 4 N LEU A 279 ? N LEU A 341 O TYR A 295 ? O TYR A 357 F 4 5 O THR A 294 ? O THR A 356 N MET A 287 ? N MET A 349 G 1 2 N THR A 333 ? N THR A 395 O THR A 445 ? O THR A 507 H 1 2 O ALA A 542 ? O ALA A 604 N ILE A 495 ? N ILE A 557 H 2 3 O LYS A 498 ? O LYS A 560 N VAL A 485 ? N VAL A 547 H 3 4 N ILE A 486 ? N ILE A 548 O GLN A 566 ? O GLN A 628 I 1 2 N ILE A 522 ? N ILE A 584 O TYR A 534 ? O TYR A 596 J 1 2 O VAL A 529 ? O VAL A 591 N LYS A 526 ? N LYS A 588 J 2 3 N ILE A 525 ? N ILE A 587 O LEU A 556 ? O LEU A 618 # 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 ? ? ? ? 5 'BINDING SITE FOR RESIDUE ZN A 1001' AC2 Software ? ? ? ? 7 'BINDING SITE FOR RESIDUE SO4 A 1020' AC3 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE SO4 A 1021' AC4 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE SO4 A 1022' AC5 Software ? ? ? ? 8 'BINDING SITE FOR RESIDUE SO4 A 1023' AC6 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE SO4 A 1024' AC7 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE SO4 A 1025' AC8 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE SO4 A 1026' AC9 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE SO4 A 1027' BC1 Software ? ? ? ? 8 'BINDING SITE FOR RESIDUE SO4 A 1028' BC2 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE SO4 A 1029' BC3 Software ? ? ? ? 10 'BINDING SITE FOR CHAIN A OF SUGAR BOUND TO ASN A 82 RESIDUES 1002 TO 1003' BC4 Software ? ? ? ? 6 'BINDING SITE FOR CHAIN A OF SUGAR BOUND TO ASN A 124 RESIDUES 1004 TO 1005' BC5 Software ? ? ? ? 9 'BINDING SITE FOR CHAIN A OF SUGAR BOUND TO ASN A 229 RESIDUES 1006 TO 1007' BC6 Software ? ? ? ? 4 'BINDING SITE FOR CHAIN A OF SUGAR BOUND TO ASN A 237 RESIDUES 1008 TO 1009' BC7 Software ? ? ? ? 6 'BINDING SITE FOR CHAIN A OF SUGAR BOUND TO ASN A 314 RESIDUES 1010 TO 1011' BC8 Software ? ? ? ? 12 'BINDING SITE FOR CHAIN A OF SUGAR BOUND TO ASN A 328 RESIDUES 1012 TO 1013' BC9 Software ? ? ? ? 10 'BINDING SITE FOR CHAIN A OF SUGAR BOUND TO ASN A 506 RESIDUES 1014 TO 1015' CC1 Software ? ? ? ? 4 'BINDING SITE FOR MONO-SACCHARIDE NAG A1016 BOUND TO ASN A 556' CC2 Software ? ? ? ? 4 'BINDING SITE FOR CHAIN A OF SUGAR BOUND TO ASN A 622 RESIDUES 1017 TO 1018' CC3 Software ? ? ? ? 1 'BINDING SITE FOR MONO-SACCHARIDE NAG A1019 BOUND TO ASN A 646' CC4 Software ? ? ? ? 19 'BINDING SITE FOR CHAIN B OF TUMOR-HOMING PEPTIDE' # loop_ _struct_site_gen.id _struct_site_gen.site_id _struct_site_gen.pdbx_num_res _struct_site_gen.label_comp_id _struct_site_gen.label_asym_id _struct_site_gen.label_seq_id _struct_site_gen.pdbx_auth_ins_code _struct_site_gen.auth_comp_id _struct_site_gen.auth_asym_id _struct_site_gen.auth_seq_id _struct_site_gen.label_atom_id _struct_site_gen.label_alt_id _struct_site_gen.symmetry _struct_site_gen.details 1 AC1 5 HIS A 321 ? HIS A 383 . ? 1_555 ? 2 AC1 5 HIS A 325 ? HIS A 387 . ? 1_555 ? 3 AC1 5 GLU A 344 ? GLU A 406 . ? 1_555 ? 4 AC1 5 HOH FA . ? HOH A 1232 . ? 1_555 ? 5 AC1 5 CYS B 1 ? CYS B 1 . ? 1_555 ? 6 AC2 7 TYR A 349 ? TYR A 411 . ? 1_555 ? 7 AC2 7 ARG A 418 ? ARG A 480 . ? 1_555 ? 8 AC2 7 ASN A 422 ? ASN A 484 . ? 1_555 ? 9 AC2 7 HOH FA . ? HOH A 1526 . ? 1_555 ? 10 AC2 7 HOH FA . ? HOH A 1588 . ? 1_555 ? 11 AC2 7 HOH FA . ? HOH A 1618 . ? 1_555 ? 12 AC2 7 HOH FA . ? HOH A 1845 . ? 1_555 ? 13 AC3 4 LYS A 654 ? LYS A 716 . ? 2_556 ? 14 AC3 4 ARG A 658 ? ARG A 720 . ? 2_556 ? 15 AC3 4 GLY A 740 ? GLY A 802 . ? 1_555 ? 16 AC3 4 GLN A 741 ? GLN A 803 . ? 1_555 ? 17 AC4 6 ASP A 281 ? ASP A 343 . ? 1_555 ? 18 AC4 6 ARG A 296 ? ARG A 358 . ? 1_555 ? 19 AC4 6 GLU A 297 ? GLU A 359 . ? 1_555 ? 20 AC4 6 ASN A 298 ? ASN A 360 . ? 1_555 ? 21 AC4 6 VAL A 757 ? VAL A 819 . ? 1_555 ? 22 AC4 6 HOH FA . ? HOH A 1649 . ? 1_555 ? 23 AC5 8 THR A 22 ? THR A 84 . ? 1_555 ? 24 AC5 8 ARG A 24 ? ARG A 86 . ? 1_555 ? 25 AC5 8 LYS A 38 ? LYS A 100 . ? 1_555 ? 26 AC5 8 GLY A 39 ? GLY A 101 . ? 1_555 ? 27 AC5 8 LYS A 40 ? LYS A 102 . ? 1_555 ? 28 AC5 8 ILE A 171 ? ILE A 233 . ? 1_555 ? 29 AC5 8 HOH FA . ? HOH A 1620 . ? 1_555 ? 30 AC5 8 HOH FA . ? HOH A 1952 . ? 1_555 ? 31 AC6 6 GLN A 1 ? GLN A 63 . ? 1_565 ? 32 AC6 6 PRO A 256 ? PRO A 318 . ? 1_555 ? 33 AC6 6 ASN A 259 ? ASN A 321 . ? 1_555 ? 34 AC6 6 HIS A 357 ? HIS A 419 . ? 1_555 ? 35 AC6 6 HOH FA . ? HOH A 1427 . ? 1_555 ? 36 AC6 6 HOH FA . ? HOH A 1872 . ? 1_555 ? 37 AC7 6 PHE A 405 ? PHE A 467 . ? 1_555 ? 38 AC7 6 ASP A 406 ? ASP A 468 . ? 1_555 ? 39 AC7 6 TYR A 410 ? TYR A 472 . ? 1_555 ? 40 AC7 6 SO4 CA . ? SO4 A 1027 . ? 1_555 ? 41 AC7 6 HOH FA . ? HOH A 1860 . ? 1_555 ? 42 AC7 6 GLY B 3 ? GLY B 3 . ? 1_555 ? 43 AC8 4 TYR A 686 ? TYR A 748 . ? 1_555 ? 44 AC8 4 ASN A 690 ? ASN A 752 . ? 1_555 ? 45 AC8 4 HOH FA . ? HOH A 1392 . ? 1_555 ? 46 AC8 4 HOH FA . ? HOH A 1593 . ? 1_555 ? 47 AC9 5 ASP A 406 ? ASP A 468 . ? 1_555 ? 48 AC9 5 SER A 407 ? SER A 469 . ? 1_555 ? 49 AC9 5 SO4 AA . ? SO4 A 1025 . ? 1_555 ? 50 AC9 5 HOH FA . ? HOH A 1676 . ? 1_555 ? 51 AC9 5 HOH FA . ? HOH A 1754 . ? 1_555 ? 52 BC1 8 PRO A 160 ? PRO A 222 . ? 1_555 ? 53 BC1 8 THR A 333 ? THR A 395 . ? 1_555 ? 54 BC1 8 LEU A 334 ? LEU A 396 . ? 1_555 ? 55 BC1 8 TRP A 336 ? TRP A 398 . ? 1_555 ? 56 BC1 8 TRP A 337 ? TRP A 399 . ? 1_555 ? 57 BC1 8 ASN A 343 ? ASN A 405 . ? 1_555 ? 58 BC1 8 HOH FA . ? HOH A 1206 . ? 1_555 ? 59 BC1 8 HOH FA . ? HOH A 1496 . ? 1_555 ? 60 BC2 6 SER A 308 ? SER A 370 . ? 1_555 ? 61 BC2 6 SER A 310 ? SER A 372 . ? 1_555 ? 62 BC2 6 ASN A 311 ? ASN A 373 . ? 1_555 ? 63 BC2 6 ARG A 314 ? ARG A 376 . ? 1_555 ? 64 BC2 6 HOH FA . ? HOH A 1435 . ? 1_555 ? 65 BC2 6 HOH FA . ? HOH A 1807 . ? 1_555 ? 66 BC3 10 ASN A 20 ? ASN A 82 . ? 1_555 ? 67 BC3 10 ILE A 42 ? ILE A 104 . ? 1_555 ? 68 BC3 10 GLU A 110 ? GLU A 172 . ? 1_555 ? 69 BC3 10 NAG H . ? NAG A 1006 . ? 1_555 ? 70 BC3 10 HOH FA . ? HOH A 1468 . ? 1_555 ? 71 BC3 10 HOH FA . ? HOH A 1512 . ? 1_555 ? 72 BC3 10 HOH FA . ? HOH A 1552 . ? 1_555 ? 73 BC3 10 HOH FA . ? HOH A 1583 . ? 1_555 ? 74 BC3 10 HOH FA . ? HOH A 1635 . ? 1_555 ? 75 BC3 10 HOH FA . ? HOH A 1646 . ? 1_555 ? 76 BC4 6 ASN A 62 ? ASN A 124 . ? 1_555 ? 77 BC4 6 GLN A 116 ? GLN A 178 . ? 1_555 ? 78 BC4 6 GLY A 117 ? GLY A 179 . ? 1_555 ? 79 BC4 6 GLU A 118 ? GLU A 180 . ? 1_555 ? 80 BC4 6 HOH FA . ? HOH A 1140 . ? 1_555 ? 81 BC4 6 HOH FA . ? HOH A 1643 . ? 1_555 ? 82 BC5 9 SER A 18 ? SER A 80 . ? 1_555 ? 83 BC5 9 ASN A 20 ? ASN A 82 . ? 1_555 ? 84 BC5 9 ARG A 44 ? ARG A 106 . ? 1_555 ? 85 BC5 9 ASN A 167 ? ASN A 229 . ? 1_555 ? 86 BC5 9 THR A 204 ? THR A 266 . ? 1_555 ? 87 BC5 9 NAG D . ? NAG A 1002 . ? 1_555 ? 88 BC5 9 HOH FA . ? HOH A 1136 . ? 1_555 ? 89 BC5 9 HOH FA . ? HOH A 1629 . ? 1_555 ? 90 BC5 9 HOH FA . ? HOH A 1900 . ? 1_555 ? 91 BC6 4 ASN A 175 ? ASN A 237 . ? 1_555 ? 92 BC6 4 GLU A 219 ? GLU A 281 . ? 1_555 ? 93 BC6 4 HOH FA . ? HOH A 1653 . ? 1_555 ? 94 BC6 4 HOH FA . ? HOH A 1724 . ? 1_555 ? 95 BC7 6 LEU A 91 ? LEU A 153 . ? 1_565 ? 96 BC7 6 TYR A 249 ? TYR A 311 . ? 1_555 ? 97 BC7 6 ASN A 252 ? ASN A 314 . ? 1_555 ? 98 BC7 6 LYS A 312 ? LYS A 374 . ? 1_555 ? 99 BC7 6 HOH FA . ? HOH A 1349 . ? 1_565 ? 100 BC7 6 HOH FA . ? HOH A 1726 . ? 1_555 ? 101 BC8 12 LEU A 46 ? LEU A 108 . ? 4_557 ? 102 BC8 12 CYS A 47 ? CYS A 109 . ? 4_557 ? 103 BC8 12 GLN A 48 ? GLN A 110 . ? 4_557 ? 104 BC8 12 GLY A 106 ? GLY A 168 . ? 4_557 ? 105 BC8 12 ASN A 266 ? ASN A 328 . ? 1_555 ? 106 BC8 12 HOH FA . ? HOH A 1574 . ? 1_555 ? 107 BC8 12 HOH FA . ? HOH A 1590 . ? 4_557 ? 108 BC8 12 HOH FA . ? HOH A 1591 . ? 1_555 ? 109 BC8 12 HOH FA . ? HOH A 1632 . ? 4_557 ? 110 BC8 12 HOH FA . ? HOH A 1641 . ? 1_555 ? 111 BC8 12 HOH FA . ? HOH A 1938 . ? 1_555 ? 112 BC8 12 HOH FA . ? HOH A 1949 . ? 1_555 ? 113 BC9 10 ALA A 161 ? ALA A 223 . ? 1_555 ? 114 BC9 10 PHE A 440 ? PHE A 502 . ? 1_555 ? 115 BC9 10 GLN A 443 ? GLN A 505 . ? 1_555 ? 116 BC9 10 ASN A 444 ? ASN A 506 . ? 1_555 ? 117 BC9 10 HOH FA . ? HOH A 1405 . ? 1_555 ? 118 BC9 10 HOH FA . ? HOH A 1563 . ? 1_555 ? 119 BC9 10 HOH FA . ? HOH A 1564 . ? 1_555 ? 120 BC9 10 HOH FA . ? HOH A 1918 . ? 1_555 ? 121 BC9 10 HOH FA . ? HOH A 1959 . ? 1_555 ? 122 BC9 10 HOH FA . ? HOH A 1978 . ? 1_555 ? 123 CC1 4 ASP A 489 ? ASP A 551 . ? 1_555 ? 124 CC1 4 ASN A 494 ? ASN A 556 . ? 1_555 ? 125 CC1 4 HOH FA . ? HOH A 1487 . ? 1_555 ? 126 CC1 4 HOH FA . ? HOH A 1788 . ? 1_555 ? 127 CC2 4 ASP A 366 ? ASP A 428 . ? 1_555 ? 128 CC2 4 ASN A 560 ? ASN A 622 . ? 1_555 ? 129 CC2 4 HOH FA . ? HOH A 1196 . ? 1_555 ? 130 CC2 4 HOH FA . ? HOH A 1910 . ? 1_555 ? 131 CC3 1 ASN A 584 ? ASN A 646 . ? 1_555 ? 132 CC4 19 GLN A 146 ? GLN A 208 . ? 1_555 ? 133 CC4 19 SER A 147 ? SER A 209 . ? 1_555 ? 134 CC4 19 ASN A 283 ? ASN A 345 . ? 1_555 ? 135 CC4 19 ALA A 284 ? ALA A 346 . ? 1_555 ? 136 CC4 19 GLY A 285 ? GLY A 347 . ? 1_555 ? 137 CC4 19 ALA A 286 ? ALA A 348 . ? 1_555 ? 138 CC4 19 MET A 287 ? MET A 349 . ? 1_555 ? 139 CC4 19 GLU A 288 ? GLU A 350 . ? 1_555 ? 140 CC4 19 GLU A 322 ? GLU A 384 . ? 1_555 ? 141 CC4 19 GLU A 344 ? GLU A 406 . ? 1_555 ? 142 CC4 19 SER A 402 ? SER A 464 . ? 1_555 ? 143 CC4 19 PHE A 405 ? PHE A 467 . ? 1_555 ? 144 CC4 19 TYR A 410 ? TYR A 472 . ? 1_555 ? 145 CC4 19 ZN C . ? ZN A 1001 . ? 1_555 ? 146 CC4 19 SO4 AA . ? SO4 A 1025 . ? 1_555 ? 147 CC4 19 HOH FA . ? HOH A 1232 . ? 1_555 ? 148 CC4 19 HOH FA . ? HOH A 1461 . ? 1_555 ? 149 CC4 19 HOH FA . ? HOH A 1698 . ? 1_555 ? 150 CC4 19 HOH GA . ? HOH B 101 . ? 1_555 ? # _database_PDB_matrix.entry_id 4OU3 _database_PDB_matrix.origx[1][1] 1.000000 _database_PDB_matrix.origx[1][2] 0.000000 _database_PDB_matrix.origx[1][3] 0.000000 _database_PDB_matrix.origx[2][1] 0.000000 _database_PDB_matrix.origx[2][2] 1.000000 _database_PDB_matrix.origx[2][3] 0.000000 _database_PDB_matrix.origx[3][1] 0.000000 _database_PDB_matrix.origx[3][2] 0.000000 _database_PDB_matrix.origx[3][3] 1.000000 _database_PDB_matrix.origx_vector[1] 0.00000 _database_PDB_matrix.origx_vector[2] 0.00000 _database_PDB_matrix.origx_vector[3] 0.00000 # _atom_sites.entry_id 4OU3 _atom_sites.fract_transf_matrix[1][1] 0.003841 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.000718 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.015904 _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] 0.012403 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _atom_type.symbol C N O 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 . GLN A 1 1 ? 38.465 -18.091 68.697 1.00 116.36 ? 63 GLN A N 1 ATOM 2 C CA . GLN A 1 1 ? 38.987 -19.063 67.686 1.00 121.83 ? 63 GLN A CA 1 ATOM 3 C C . GLN A 1 1 ? 38.760 -18.593 66.246 1.00 125.03 ? 63 GLN A C 1 ATOM 4 O O . GLN A 1 1 ? 39.485 -18.990 65.319 1.00 114.71 ? 63 GLN A O 1 ATOM 5 C CB . GLN A 1 1 ? 38.358 -20.436 67.903 1.00 126.80 ? 63 GLN A CB 1 ATOM 6 C CG . GLN A 1 1 ? 39.137 -21.322 68.865 1.00 126.86 ? 63 GLN A CG 1 ATOM 7 C CD . GLN A 1 1 ? 40.066 -22.306 68.166 1.00 111.50 ? 63 GLN A CD 1 ATOM 8 O OE1 . GLN A 1 1 ? 40.426 -22.134 67.000 1.00 120.90 ? 63 GLN A OE1 1 ATOM 9 N NE2 . GLN A 1 1 ? 40.452 -23.351 68.884 1.00 103.50 ? 63 GLN A NE2 1 ATOM 10 N N . SER A 1 2 ? 37.739 -17.759 66.055 1.00 84.93 ? 64 SER A N 1 ATOM 11 C CA . SER A 1 2 ? 37.601 -17.034 64.791 1.00 83.39 ? 64 SER A CA 1 ATOM 12 C C . SER A 1 2 ? 38.940 -16.340 64.469 1.00 76.51 ? 64 SER A C 1 ATOM 13 O O . SER A 1 2 ? 39.661 -15.903 65.364 1.00 65.79 ? 64 SER A O 1 ATOM 14 C CB . SER A 1 2 ? 36.443 -16.027 64.840 1.00 65.86 ? 64 SER A CB 1 ATOM 15 O OG . SER A 1 2 ? 36.833 -14.771 65.377 1.00 73.63 ? 64 SER A OG 1 ATOM 16 N N . LYS A 1 3 ? 39.266 -16.249 63.184 1.00 58.36 ? 65 LYS A N 1 ATOM 17 C CA . LYS A 1 3 ? 40.505 -15.624 62.734 1.00 46.09 ? 65 LYS A CA 1 ATOM 18 C C . LYS A 1 3 ? 40.356 -14.106 62.852 1.00 40.65 ? 65 LYS A C 1 ATOM 19 O O . LYS A 1 3 ? 39.308 -13.577 62.516 1.00 42.81 ? 65 LYS A O 1 ATOM 20 C CB . LYS A 1 3 ? 40.785 -15.997 61.279 1.00 50.46 ? 65 LYS A CB 1 ATOM 21 C CG . LYS A 1 3 ? 40.845 -17.487 61.003 1.00 49.85 ? 65 LYS A CG 1 ATOM 22 C CD . LYS A 1 3 ? 41.931 -18.118 61.854 1.00 58.50 ? 65 LYS A CD 1 ATOM 23 C CE . LYS A 1 3 ? 42.120 -19.590 61.510 1.00 66.35 ? 65 LYS A CE 1 ATOM 24 N NZ . LYS A 1 3 ? 43.574 -19.882 61.565 1.00 70.47 ? 65 LYS A NZ 1 ATOM 25 N N . PRO A 1 4 ? 41.394 -13.397 63.332 1.00 36.60 ? 66 PRO A N 1 ATOM 26 C CA . PRO A 1 4 ? 41.190 -11.947 63.605 1.00 37.14 ? 66 PRO A CA 1 ATOM 27 C C . PRO A 1 4 ? 40.839 -11.117 62.361 1.00 34.81 ? 66 PRO A C 1 ATOM 28 O O . PRO A 1 4 ? 40.195 -10.078 62.471 1.00 32.72 ? 66 PRO A O 1 ATOM 29 C CB . PRO A 1 4 ? 42.521 -11.498 64.226 1.00 37.22 ? 66 PRO A CB 1 ATOM 30 C CG . PRO A 1 4 ? 43.515 -12.581 63.906 1.00 38.02 ? 66 PRO A CG 1 ATOM 31 C CD . PRO A 1 4 ? 42.716 -13.868 63.781 1.00 39.96 ? 66 PRO A CD 1 ATOM 32 N N . TRP A 1 5 ? 41.243 -11.586 61.180 1.00 33.70 ? 67 TRP A N 1 ATOM 33 C CA . TRP A 1 5 ? 40.961 -10.842 59.970 1.00 30.67 ? 67 TRP A CA 1 ATOM 34 C C . TRP A 1 5 ? 39.506 -11.001 59.514 1.00 30.49 ? 67 TRP A C 1 ATOM 35 O O . TRP A 1 5 ? 39.111 -10.383 58.530 1.00 31.05 ? 67 TRP A O 1 ATOM 36 C CB . TRP A 1 5 ? 41.965 -11.217 58.818 1.00 30.96 ? 67 TRP A CB 1 ATOM 37 C CG . TRP A 1 5 ? 42.139 -12.730 58.604 1.00 33.67 ? 67 TRP A CG 1 ATOM 38 C CD1 . TRP A 1 5 ? 41.350 -13.554 57.840 1.00 34.17 ? 67 TRP A CD1 1 ATOM 39 C CD2 . TRP A 1 5 ? 43.119 -13.581 59.215 1.00 32.66 ? 67 TRP A CD2 1 ATOM 40 N NE1 . TRP A 1 5 ? 41.793 -14.846 57.920 1.00 36.63 ? 67 TRP A NE1 1 ATOM 41 C CE2 . TRP A 1 5 ? 42.888 -14.897 58.749 1.00 37.89 ? 67 TRP A CE2 1 ATOM 42 C CE3 . TRP A 1 5 ? 44.191 -13.354 60.074 1.00 32.81 ? 67 TRP A CE3 1 ATOM 43 C CZ2 . TRP A 1 5 ? 43.692 -16.008 59.129 1.00 36.78 ? 67 TRP A CZ2 1 ATOM 44 C CZ3 . TRP A 1 5 ? 45.000 -14.477 60.475 1.00 36.93 ? 67 TRP A CZ3 1 ATOM 45 C CH2 . TRP A 1 5 ? 44.730 -15.777 59.994 1.00 39.06 ? 67 TRP A CH2 1 ATOM 46 N N . ASN A 1 6 ? 38.742 -11.863 60.184 1.00 32.25 ? 68 ASN A N 1 ATOM 47 C CA . ASN A 1 6 ? 37.325 -11.985 59.974 1.00 34.07 ? 68 ASN A CA 1 ATOM 48 C C . ASN A 1 6 ? 36.525 -11.270 61.063 1.00 35.52 ? 68 ASN A C 1 ATOM 49 O O . ASN A 1 6 ? 35.317 -11.406 61.113 1.00 36.72 ? 68 ASN A O 1 ATOM 50 C CB . ASN A 1 6 ? 36.937 -13.481 59.923 1.00 36.18 ? 68 ASN A CB 1 ATOM 51 C CG . ASN A 1 6 ? 37.486 -14.162 58.675 1.00 38.63 ? 68 ASN A CG 1 ATOM 52 O OD1 . ASN A 1 6 ? 37.729 -13.513 57.660 1.00 37.62 ? 68 ASN A OD1 1 ATOM 53 N ND2 . ASN A 1 6 ? 37.697 -15.468 58.749 1.00 44.11 ? 68 ASN A ND2 1 ATOM 54 N N . ARG A 1 7 ? 37.203 -10.521 61.930 1.00 31.97 ? 69 ARG A N 1 ATOM 55 C CA . ARG A 1 7 ? 36.547 -9.660 62.923 1.00 32.90 ? 69 ARG A CA 1 ATOM 56 C C . ARG A 1 7 ? 36.613 -8.198 62.485 1.00 30.05 ? 69 ARG A C 1 ATOM 57 O O . ARG A 1 7 ? 37.614 -7.746 61.929 1.00 30.11 ? 69 ARG A O 1 ATOM 58 C CB . ARG A 1 7 ? 37.234 -9.797 64.292 1.00 34.51 ? 69 ARG A CB 1 ATOM 59 C CG . ARG A 1 7 ? 37.265 -11.217 64.867 1.00 38.48 ? 69 ARG A CG 1 ATOM 60 C CD . ARG A 1 7 ? 38.112 -11.249 66.150 1.00 39.70 ? 69 ARG A CD 1 ATOM 61 N NE . ARG A 1 7 ? 38.568 -12.620 66.462 1.00 43.49 ? 69 ARG A NE 1 ATOM 62 C CZ . ARG A 1 7 ? 39.632 -12.925 67.203 1.00 45.95 ? 69 ARG A CZ 1 ATOM 63 N NH1 . ARG A 1 7 ? 40.360 -11.969 67.756 1.00 45.02 ? 69 ARG A NH1 1 ATOM 64 N NH2 . ARG A 1 7 ? 39.959 -14.193 67.412 1.00 49.12 ? 69 ARG A NH2 1 ATOM 65 N N . TYR A 1 8 ? 35.568 -7.445 62.765 1.00 28.99 ? 70 TYR A N 1 ATOM 66 C CA . TYR A 1 8 ? 35.464 -6.082 62.236 1.00 30.44 ? 70 TYR A CA 1 ATOM 67 C C . TYR A 1 8 ? 36.320 -5.079 62.983 1.00 29.58 ? 70 TYR A C 1 ATOM 68 O O . TYR A 1 8 ? 36.718 -4.057 62.401 1.00 28.68 ? 70 TYR A O 1 ATOM 69 C CB . TYR A 1 8 ? 33.998 -5.618 62.201 1.00 31.28 ? 70 TYR A CB 1 ATOM 70 C CG . TYR A 1 8 ? 33.242 -6.133 60.994 1.00 32.23 ? 70 TYR A CG 1 ATOM 71 C CD1 . TYR A 1 8 ? 33.284 -5.436 59.783 1.00 31.60 ? 70 TYR A CD1 1 ATOM 72 C CD2 . TYR A 1 8 ? 32.505 -7.314 61.051 1.00 31.84 ? 70 TYR A CD2 1 ATOM 73 C CE1 . TYR A 1 8 ? 32.612 -5.901 58.678 1.00 30.53 ? 70 TYR A CE1 1 ATOM 74 C CE2 . TYR A 1 8 ? 31.820 -7.773 59.943 1.00 35.18 ? 70 TYR A CE2 1 ATOM 75 C CZ . TYR A 1 8 ? 31.893 -7.066 58.768 1.00 34.50 ? 70 TYR A CZ 1 ATOM 76 O OH . TYR A 1 8 ? 31.223 -7.531 57.671 1.00 36.60 ? 70 TYR A OH 1 ATOM 77 N N . ARG A 1 9 ? 36.566 -5.329 64.277 1.00 27.58 ? 71 ARG A N 1 ATOM 78 C CA . ARG A 1 9 ? 37.457 -4.470 65.047 1.00 29.48 ? 71 ARG A CA 1 ATOM 79 C C . ARG A 1 9 ? 38.919 -4.906 64.891 1.00 28.41 ? 71 ARG A C 1 ATOM 80 O O . ARG A 1 9 ? 39.223 -6.096 64.914 1.00 26.95 ? 71 ARG A O 1 ATOM 81 C CB . ARG A 1 9 ? 37.063 -4.445 66.549 1.00 28.49 ? 71 ARG A CB 1 ATOM 82 C CG . ARG A 1 9 ? 35.652 -3.887 66.784 1.00 28.29 ? 71 ARG A CG 1 ATOM 83 C CD . ARG A 1 9 ? 35.462 -2.418 66.334 1.00 27.85 ? 71 ARG A CD 1 ATOM 84 N NE . ARG A 1 9 ? 36.489 -1.511 66.841 1.00 28.02 ? 71 ARG A NE 1 ATOM 85 C CZ . ARG A 1 9 ? 36.463 -0.878 68.021 1.00 29.46 ? 71 ARG A CZ 1 ATOM 86 N NH1 . ARG A 1 9 ? 35.422 -1.002 68.868 1.00 27.46 ? 71 ARG A NH1 1 ATOM 87 N NH2 . ARG A 1 9 ? 37.479 -0.079 68.357 1.00 27.95 ? 71 ARG A NH2 1 ATOM 88 N N . LEU A 1 10 ? 39.815 -3.934 64.768 1.00 26.66 ? 72 LEU A N 1 ATOM 89 C CA . LEU A 1 10 ? 41.253 -4.222 64.669 1.00 27.85 ? 72 LEU A CA 1 ATOM 90 C C . LEU A 1 10 ? 41.771 -4.882 65.946 1.00 29.40 ? 72 LEU A C 1 ATOM 91 O O . LEU A 1 10 ? 41.269 -4.580 67.045 1.00 27.28 ? 72 LEU A O 1 ATOM 92 C CB . LEU A 1 10 ? 42.074 -2.928 64.458 1.00 26.81 ? 72 LEU A CB 1 ATOM 93 C CG . LEU A 1 10 ? 41.984 -2.295 63.074 1.00 26.58 ? 72 LEU A CG 1 ATOM 94 C CD1 . LEU A 1 10 ? 42.617 -0.916 63.097 1.00 24.68 ? 72 LEU A CD1 1 ATOM 95 C CD2 . LEU A 1 10 ? 42.662 -3.206 62.056 1.00 26.87 ? 72 LEU A CD2 1 ATOM 96 N N . PRO A 1 11 ? 42.829 -5.700 65.826 1.00 29.16 ? 73 PRO A N 1 ATOM 97 C CA . PRO A 1 11 ? 43.567 -6.119 67.024 1.00 32.31 ? 73 PRO A CA 1 ATOM 98 C C . PRO A 1 11 ? 44.116 -4.919 67.766 1.00 28.85 ? 73 PRO A C 1 ATOM 99 O O . PRO A 1 11 ? 44.284 -3.837 67.185 1.00 27.35 ? 73 PRO A O 1 ATOM 100 C CB . PRO A 1 11 ? 44.753 -6.940 66.465 1.00 32.59 ? 73 PRO A CB 1 ATOM 101 C CG . PRO A 1 11 ? 44.356 -7.306 65.074 1.00 31.04 ? 73 PRO A CG 1 ATOM 102 C CD . PRO A 1 11 ? 43.477 -6.173 64.590 1.00 29.29 ? 73 PRO A CD 1 ATOM 103 N N . THR A 1 12 ? 44.434 -5.115 69.033 1.00 29.41 ? 74 THR A N 1 ATOM 104 C CA . THR A 1 12 ? 45.125 -4.090 69.791 1.00 32.85 ? 74 THR A CA 1 ATOM 105 C C . THR A 1 12 ? 46.640 -4.355 69.934 1.00 32.12 ? 74 THR A C 1 ATOM 106 O O . THR A 1 12 ? 47.324 -3.645 70.667 1.00 30.06 ? 74 THR A O 1 ATOM 107 C CB . THR A 1 12 ? 44.530 -3.954 71.214 1.00 33.76 ? 74 THR A CB 1 ATOM 108 O OG1 . THR A 1 12 ? 44.623 -5.220 71.844 1.00 37.00 ? 74 THR A OG1 1 ATOM 109 C CG2 . THR A 1 12 ? 43.067 -3.525 71.149 1.00 43.93 ? 74 THR A CG2 1 ATOM 110 N N . THR A 1 13 ? 47.152 -5.333 69.196 1.00 30.74 ? 75 THR A N 1 ATOM 111 C CA . THR A 1 13 ? 48.497 -5.809 69.352 1.00 31.29 ? 75 THR A CA 1 ATOM 112 C C . THR A 1 13 ? 49.516 -4.847 68.719 1.00 31.31 ? 75 THR A C 1 ATOM 113 O O . THR A 1 13 ? 50.659 -4.820 69.141 1.00 30.63 ? 75 THR A O 1 ATOM 114 C CB . THR A 1 13 ? 48.663 -7.167 68.663 1.00 30.14 ? 75 THR A CB 1 ATOM 115 O OG1 . THR A 1 13 ? 48.211 -7.045 67.310 1.00 30.41 ? 75 THR A OG1 1 ATOM 116 C CG2 . THR A 1 13 ? 47.847 -8.282 69.436 1.00 33.24 ? 75 THR A CG2 1 ATOM 117 N N . LEU A 1 14 ? 49.076 -4.075 67.728 1.00 27.73 ? 76 LEU A N 1 ATOM 118 C CA . LEU A 1 14 ? 49.912 -3.109 66.993 1.00 28.37 ? 76 LEU A CA 1 ATOM 119 C C . LEU A 1 14 ? 49.238 -1.743 66.991 1.00 27.58 ? 76 LEU A C 1 ATOM 120 O O . LEU A 1 14 ? 48.042 -1.636 66.656 1.00 29.71 ? 76 LEU A O 1 ATOM 121 C CB . LEU A 1 14 ? 50.096 -3.543 65.510 1.00 28.44 ? 76 LEU A CB 1 ATOM 122 C CG . LEU A 1 14 ? 50.564 -4.967 65.280 1.00 29.06 ? 76 LEU A CG 1 ATOM 123 C CD1 . LEU A 1 14 ? 50.628 -5.270 63.793 1.00 30.31 ? 76 LEU A CD1 1 ATOM 124 C CD2 . LEU A 1 14 ? 51.914 -5.234 65.924 1.00 28.77 ? 76 LEU A CD2 1 ATOM 125 N N . LEU A 1 15 ? 50.003 -0.710 67.331 1.00 26.65 ? 77 LEU A N 1 ATOM 126 C CA . LEU A 1 15 ? 49.503 0.653 67.337 1.00 28.54 ? 77 LEU A CA 1 ATOM 127 C C . LEU A 1 15 ? 50.394 1.579 66.506 1.00 27.73 ? 77 LEU A C 1 ATOM 128 O O . LEU A 1 15 ? 51.622 1.559 66.626 1.00 26.74 ? 77 LEU A O 1 ATOM 129 C CB . LEU A 1 15 ? 49.396 1.200 68.770 1.00 28.13 ? 77 LEU A CB 1 ATOM 130 C CG . LEU A 1 15 ? 48.426 0.433 69.712 1.00 30.94 ? 77 LEU A CG 1 ATOM 131 C CD1 . LEU A 1 15 ? 48.501 0.912 71.165 1.00 32.06 ? 77 LEU A CD1 1 ATOM 132 C CD2 . LEU A 1 15 ? 47.004 0.508 69.166 1.00 32.42 ? 77 LEU A CD2 1 ATOM 133 N N . PRO A 1 16 ? 49.772 2.440 65.711 1.00 27.32 ? 78 PRO A N 1 ATOM 134 C CA . PRO A 1 16 ? 50.548 3.270 64.798 1.00 25.60 ? 78 PRO A CA 1 ATOM 135 C C . PRO A 1 16 ? 51.192 4.420 65.543 1.00 26.51 ? 78 PRO A C 1 ATOM 136 O O . PRO A 1 16 ? 50.658 4.914 66.561 1.00 27.24 ? 78 PRO A O 1 ATOM 137 C CB . PRO A 1 16 ? 49.499 3.767 63.801 1.00 24.74 ? 78 PRO A CB 1 ATOM 138 C CG . PRO A 1 16 ? 48.208 3.802 64.617 1.00 25.51 ? 78 PRO A CG 1 ATOM 139 C CD . PRO A 1 16 ? 48.317 2.590 65.502 1.00 27.10 ? 78 PRO A CD 1 ATOM 140 N N . ASP A 1 17 ? 52.353 4.835 65.041 1.00 25.25 ? 79 ASP A N 1 ATOM 141 C CA . ASP A 1 17 ? 53.076 5.987 65.566 1.00 27.23 ? 79 ASP A CA 1 ATOM 142 C C . ASP A 1 17 ? 52.976 7.173 64.597 1.00 25.89 ? 79 ASP A C 1 ATOM 143 O O . ASP A 1 17 ? 52.625 8.316 64.982 1.00 25.02 ? 79 ASP A O 1 ATOM 144 C CB . ASP A 1 17 ? 54.548 5.568 65.794 1.00 30.60 ? 79 ASP A CB 1 ATOM 145 C CG . ASP A 1 17 ? 55.449 6.734 66.164 1.00 32.34 ? 79 ASP A CG 1 ATOM 146 O OD1 . ASP A 1 17 ? 55.378 7.227 67.277 1.00 35.33 ? 79 ASP A OD1 1 ATOM 147 O OD2 . ASP A 1 17 ? 56.266 7.161 65.367 1.00 33.59 ? 79 ASP A OD2 1 ATOM 148 N N . SER A 1 18 ? 53.262 6.905 63.331 1.00 25.25 ? 80 SER A N 1 ATOM 149 C CA . SER A 1 18 ? 53.313 7.954 62.312 1.00 25.53 ? 80 SER A CA 1 ATOM 150 C C . SER A 1 18 ? 53.258 7.367 60.903 1.00 25.03 ? 80 SER A C 1 ATOM 151 O O . SER A 1 18 ? 53.603 6.195 60.677 1.00 24.59 ? 80 SER A O 1 ATOM 152 C CB . SER A 1 18 ? 54.559 8.830 62.469 1.00 30.11 ? 80 SER A CB 1 ATOM 153 O OG . SER A 1 18 ? 54.588 9.909 61.477 1.00 31.03 ? 80 SER A OG 1 ATOM 154 N N . TYR A 1 19 ? 52.790 8.192 59.977 1.00 24.11 ? 81 TYR A N 1 ATOM 155 C CA . TYR A 1 19 ? 52.621 7.793 58.606 1.00 23.21 ? 81 TYR A CA 1 ATOM 156 C C . TYR A 1 19 ? 53.256 8.856 57.681 1.00 25.30 ? 81 TYR A C 1 ATOM 157 O O . TYR A 1 19 ? 53.126 10.058 57.893 1.00 24.03 ? 81 TYR A O 1 ATOM 158 C CB . TYR A 1 19 ? 51.166 7.746 58.209 1.00 22.89 ? 81 TYR A CB 1 ATOM 159 C CG . TYR A 1 19 ? 50.266 6.715 58.832 1.00 23.39 ? 81 TYR A CG 1 ATOM 160 C CD1 . TYR A 1 19 ? 49.751 6.911 60.132 1.00 23.82 ? 81 TYR A CD1 1 ATOM 161 C CD2 . TYR A 1 19 ? 49.849 5.599 58.110 1.00 23.45 ? 81 TYR A CD2 1 ATOM 162 C CE1 . TYR A 1 19 ? 48.845 6.028 60.682 1.00 24.00 ? 81 TYR A CE1 1 ATOM 163 C CE2 . TYR A 1 19 ? 48.916 4.680 58.672 1.00 23.88 ? 81 TYR A CE2 1 ATOM 164 C CZ . TYR A 1 19 ? 48.417 4.921 59.966 1.00 23.56 ? 81 TYR A CZ 1 ATOM 165 O OH . TYR A 1 19 ? 47.499 4.089 60.552 1.00 22.38 ? 81 TYR A OH 1 ATOM 166 N N . ASN A 1 20 ? 53.915 8.349 56.643 1.00 24.60 ? 82 ASN A N 1 ATOM 167 C CA . ASN A 1 20 ? 54.141 9.099 55.433 1.00 25.36 ? 82 ASN A CA 1 ATOM 168 C C . ASN A 1 20 ? 53.157 8.635 54.372 1.00 24.73 ? 82 ASN A C 1 ATOM 169 O O . ASN A 1 20 ? 52.992 7.421 54.141 1.00 25.79 ? 82 ASN A O 1 ATOM 170 C CB . ASN A 1 20 ? 55.562 8.855 54.902 1.00 27.85 ? 82 ASN A CB 1 ATOM 171 C CG . ASN A 1 20 ? 56.622 9.615 55.671 1.00 28.04 ? 82 ASN A CG 1 ATOM 172 O OD1 . ASN A 1 20 ? 56.377 10.274 56.696 1.00 28.38 ? 82 ASN A OD1 1 ATOM 173 N ND2 . ASN A 1 20 ? 57.837 9.516 55.172 1.00 28.17 ? 82 ASN A ND2 1 ATOM 174 N N . VAL A 1 21 ? 52.533 9.593 53.703 1.00 23.17 ? 83 VAL A N 1 ATOM 175 C CA . VAL A 1 21 ? 51.580 9.289 52.645 1.00 24.91 ? 83 VAL A CA 1 ATOM 176 C C . VAL A 1 21 ? 51.796 10.251 51.501 1.00 25.24 ? 83 VAL A C 1 ATOM 177 O O . VAL A 1 21 ? 51.746 11.475 51.702 1.00 25.95 ? 83 VAL A O 1 ATOM 178 C CB . VAL A 1 21 ? 50.103 9.387 53.084 1.00 23.92 ? 83 VAL A CB 1 ATOM 179 C CG1 . VAL A 1 21 ? 49.249 8.688 52.037 1.00 24.93 ? 83 VAL A CG1 1 ATOM 180 C CG2 . VAL A 1 21 ? 49.851 8.723 54.444 1.00 24.73 ? 83 VAL A CG2 1 ATOM 181 N N . THR A 1 22 ? 52.040 9.702 50.313 1.00 24.28 ? 84 THR A N 1 ATOM 182 C CA . THR A 1 22 ? 52.126 10.489 49.063 1.00 25.22 ? 84 THR A CA 1 ATOM 183 C C . THR A 1 22 ? 51.022 10.061 48.123 1.00 23.23 ? 84 THR A C 1 ATOM 184 O O . THR A 1 22 ? 50.880 8.876 47.808 1.00 25.98 ? 84 THR A O 1 ATOM 185 C CB . THR A 1 22 ? 53.471 10.250 48.387 1.00 25.68 ? 84 THR A CB 1 ATOM 186 O OG1 . THR A 1 22 ? 54.508 10.670 49.292 1.00 25.81 ? 84 THR A OG1 1 ATOM 187 C CG2 . THR A 1 22 ? 53.590 11.029 47.076 1.00 27.05 ? 84 THR A CG2 1 ATOM 188 N N . LEU A 1 23 ? 50.212 11.017 47.702 1.00 22.70 ? 85 LEU A N 1 ATOM 189 C CA . LEU A 1 23 ? 49.094 10.736 46.803 1.00 26.12 ? 85 LEU A CA 1 ATOM 190 C C . LEU A 1 23 ? 49.253 11.546 45.528 1.00 26.53 ? 85 LEU A C 1 ATOM 191 O O . LEU A 1 23 ? 49.707 12.713 45.554 1.00 27.12 ? 85 LEU A O 1 ATOM 192 C CB . LEU A 1 23 ? 47.745 11.104 47.430 1.00 26.29 ? 85 LEU A CB 1 ATOM 193 C CG . LEU A 1 23 ? 47.169 10.341 48.668 1.00 27.27 ? 85 LEU A CG 1 ATOM 194 C CD1 . LEU A 1 23 ? 47.412 8.856 48.557 1.00 25.67 ? 85 LEU A CD1 1 ATOM 195 C CD2 . LEU A 1 23 ? 47.733 10.962 49.927 1.00 29.06 ? 85 LEU A CD2 1 ATOM 196 N N . ARG A 1 24 ? 48.840 10.941 44.419 1.00 26.86 ? 86 ARG A N 1 ATOM 197 C CA . ARG A 1 24 ? 48.988 11.561 43.096 1.00 26.31 ? 86 ARG A CA 1 ATOM 198 C C . ARG A 1 24 ? 47.711 11.309 42.317 1.00 25.43 ? 86 ARG A C 1 ATOM 199 O O . ARG A 1 24 ? 47.537 10.207 41.741 1.00 26.03 ? 86 ARG A O 1 ATOM 200 C CB . ARG A 1 24 ? 50.178 10.928 42.385 1.00 27.18 ? 86 ARG A CB 1 ATOM 201 C CG . ARG A 1 24 ? 50.490 11.549 41.019 1.00 27.70 ? 86 ARG A CG 1 ATOM 202 C CD . ARG A 1 24 ? 51.746 10.950 40.392 1.00 28.16 ? 86 ARG A CD 1 ATOM 203 N NE . ARG A 1 24 ? 52.014 11.556 39.087 1.00 26.77 ? 86 ARG A NE 1 ATOM 204 C CZ . ARG A 1 24 ? 53.057 11.226 38.348 1.00 31.55 ? 86 ARG A CZ 1 ATOM 205 N NH1 . ARG A 1 24 ? 53.936 10.320 38.785 1.00 30.85 ? 86 ARG A NH1 1 ATOM 206 N NH2 . ARG A 1 24 ? 53.247 11.820 37.195 1.00 32.78 ? 86 ARG A NH2 1 ATOM 207 N N . PRO A 1 25 ? 46.799 12.290 42.304 1.00 25.42 ? 87 PRO A N 1 ATOM 208 C CA . PRO A 1 25 ? 45.607 12.108 41.489 1.00 27.01 ? 87 PRO A CA 1 ATOM 209 C C . PRO A 1 25 ? 45.944 12.360 40.024 1.00 27.09 ? 87 PRO A C 1 ATOM 210 O O . PRO A 1 25 ? 46.735 13.260 39.714 1.00 27.56 ? 87 PRO A O 1 ATOM 211 C CB . PRO A 1 25 ? 44.670 13.215 41.983 1.00 28.37 ? 87 PRO A CB 1 ATOM 212 C CG . PRO A 1 25 ? 45.574 14.288 42.459 1.00 26.29 ? 87 PRO A CG 1 ATOM 213 C CD . PRO A 1 25 ? 46.816 13.606 42.978 1.00 25.99 ? 87 PRO A CD 1 ATOM 214 N N . TYR A 1 26 ? 45.317 11.592 39.150 1.00 29.05 ? 88 TYR A N 1 ATOM 215 C CA . TYR A 1 26 ? 45.436 11.823 37.703 1.00 31.40 ? 88 TYR A CA 1 ATOM 216 C C . TYR A 1 26 ? 44.105 12.403 37.234 1.00 32.06 ? 88 TYR A C 1 ATOM 217 O O . TYR A 1 26 ? 43.119 11.694 37.072 1.00 34.61 ? 88 TYR A O 1 ATOM 218 C CB . TYR A 1 26 ? 45.790 10.529 36.980 1.00 31.75 ? 88 TYR A CB 1 ATOM 219 C CG . TYR A 1 26 ? 47.206 10.062 37.205 1.00 30.82 ? 88 TYR A CG 1 ATOM 220 C CD1 . TYR A 1 26 ? 47.603 9.553 38.456 1.00 31.16 ? 88 TYR A CD1 1 ATOM 221 C CD2 . TYR A 1 26 ? 48.174 10.152 36.179 1.00 33.09 ? 88 TYR A CD2 1 ATOM 222 C CE1 . TYR A 1 26 ? 48.891 9.116 38.670 1.00 31.58 ? 88 TYR A CE1 1 ATOM 223 C CE2 . TYR A 1 26 ? 49.483 9.699 36.377 1.00 33.35 ? 88 TYR A CE2 1 ATOM 224 C CZ . TYR A 1 26 ? 49.835 9.203 37.624 1.00 33.05 ? 88 TYR A CZ 1 ATOM 225 O OH . TYR A 1 26 ? 51.113 8.755 37.858 1.00 32.46 ? 88 TYR A OH 1 ATOM 226 N N . LEU A 1 27 ? 44.078 13.717 37.066 1.00 33.07 ? 89 LEU A N 1 ATOM 227 C CA . LEU A 1 27 ? 42.857 14.408 36.721 1.00 35.47 ? 89 LEU A CA 1 ATOM 228 C C . LEU A 1 27 ? 42.474 14.288 35.253 1.00 40.20 ? 89 LEU A C 1 ATOM 229 O O . LEU A 1 27 ? 41.396 14.739 34.860 1.00 40.69 ? 89 LEU A O 1 ATOM 230 C CB . LEU A 1 27 ? 42.957 15.879 37.150 1.00 35.36 ? 89 LEU A CB 1 ATOM 231 C CG . LEU A 1 27 ? 43.094 16.011 38.671 1.00 34.94 ? 89 LEU A CG 1 ATOM 232 C CD1 . LEU A 1 27 ? 43.521 17.430 39.009 1.00 36.56 ? 89 LEU A CD1 1 ATOM 233 C CD2 . LEU A 1 27 ? 41.786 15.666 39.364 1.00 34.74 ? 89 LEU A CD2 1 ATOM 234 N N . THR A 1 28 ? 43.343 13.698 34.438 1.00 39.74 ? 90 THR A N 1 ATOM 235 C CA . THR A 1 28 ? 43.000 13.375 33.046 1.00 44.12 ? 90 THR A CA 1 ATOM 236 C C . THR A 1 28 ? 42.678 11.878 32.972 1.00 42.43 ? 90 THR A C 1 ATOM 237 O O . THR A 1 28 ? 43.472 11.080 33.420 1.00 41.30 ? 90 THR A O 1 ATOM 238 C CB . THR A 1 28 ? 44.164 13.740 32.101 1.00 43.11 ? 90 THR A CB 1 ATOM 239 O OG1 . THR A 1 28 ? 44.379 15.156 32.152 1.00 48.74 ? 90 THR A OG1 1 ATOM 240 C CG2 . THR A 1 28 ? 43.861 13.355 30.648 1.00 48.24 ? 90 THR A CG2 1 ATOM 241 N N . PRO A 1 29 ? 41.497 11.498 32.455 1.00 43.54 ? 91 PRO A N 1 ATOM 242 C CA . PRO A 1 29 ? 41.184 10.081 32.496 1.00 46.59 ? 91 PRO A CA 1 ATOM 243 C C . PRO A 1 29 ? 41.993 9.343 31.431 1.00 49.44 ? 91 PRO A C 1 ATOM 244 O O . PRO A 1 29 ? 42.543 9.996 30.555 1.00 44.34 ? 91 PRO A O 1 ATOM 245 C CB . PRO A 1 29 ? 39.713 10.058 32.136 1.00 47.59 ? 91 PRO A CB 1 ATOM 246 C CG . PRO A 1 29 ? 39.527 11.244 31.243 1.00 50.87 ? 91 PRO A CG 1 ATOM 247 C CD . PRO A 1 29 ? 40.436 12.284 31.802 1.00 51.03 ? 91 PRO A CD 1 ATOM 248 N N . ASN A 1 30 ? 42.042 8.008 31.500 1.00 58.71 ? 92 ASN A N 1 ATOM 249 C CA . ASN A 1 30 ? 42.588 7.182 30.407 1.00 64.00 ? 92 ASN A CA 1 ATOM 250 C C . ASN A 1 30 ? 41.578 7.069 29.257 1.00 72.94 ? 92 ASN A C 1 ATOM 251 O O . ASN A 1 30 ? 40.532 7.744 29.282 1.00 71.25 ? 92 ASN A O 1 ATOM 252 C CB . ASN A 1 30 ? 42.986 5.795 30.931 1.00 65.65 ? 92 ASN A CB 1 ATOM 253 C CG . ASN A 1 30 ? 41.791 4.915 31.279 1.00 63.73 ? 92 ASN A CG 1 ATOM 254 O OD1 . ASN A 1 30 ? 40.662 5.155 30.853 1.00 59.86 ? 92 ASN A OD1 1 ATOM 255 N ND2 . ASN A 1 30 ? 42.047 3.874 32.034 1.00 57.59 ? 92 ASN A ND2 1 ATOM 256 N N . ALA A 1 31 ? 41.880 6.225 28.264 1.00 85.91 ? 93 ALA A N 1 ATOM 257 C CA . ALA A 1 31 ? 41.056 6.122 27.061 1.00 100.42 ? 93 ALA A CA 1 ATOM 258 C C . ALA A 1 31 ? 39.598 5.738 27.316 1.00 97.29 ? 93 ALA A C 1 ATOM 259 O O . ALA A 1 31 ? 38.693 6.159 26.586 1.00 92.64 ? 93 ALA A O 1 ATOM 260 C CB . ALA A 1 31 ? 41.687 5.150 26.073 1.00 106.40 ? 93 ALA A CB 1 ATOM 261 N N . ASP A 1 32 ? 39.370 4.941 28.351 1.00 89.22 ? 94 ASP A N 1 ATOM 262 C CA . ASP A 1 32 ? 38.039 4.429 28.626 1.00 99.61 ? 94 ASP A CA 1 ATOM 263 C C . ASP A 1 32 ? 37.301 5.309 29.627 1.00 98.54 ? 94 ASP A C 1 ATOM 264 O O . ASP A 1 32 ? 36.221 4.948 30.112 1.00 106.87 ? 94 ASP A O 1 ATOM 265 C CB . ASP A 1 32 ? 38.133 2.997 29.153 1.00 110.84 ? 94 ASP A CB 1 ATOM 266 C CG . ASP A 1 32 ? 38.986 2.102 28.267 1.00 115.48 ? 94 ASP A CG 1 ATOM 267 O OD1 . ASP A 1 32 ? 38.739 2.060 27.036 1.00 105.98 ? 94 ASP A OD1 1 ATOM 268 O OD2 . ASP A 1 32 ? 39.905 1.449 28.807 1.00 107.35 ? 94 ASP A OD2 1 ATOM 269 N N . GLY A 1 33 ? 37.912 6.435 29.993 1.00 84.30 ? 95 GLY A N 1 ATOM 270 C CA . GLY A 1 33 ? 37.309 7.386 30.906 1.00 66.12 ? 95 GLY A CA 1 ATOM 271 C C . GLY A 1 33 ? 37.490 6.979 32.355 1.00 60.78 ? 95 GLY A C 1 ATOM 272 O O . GLY A 1 33 ? 36.707 7.383 33.207 1.00 60.28 ? 95 GLY A O 1 ATOM 273 N N . LEU A 1 34 ? 38.506 6.169 32.645 1.00 56.06 ? 96 LEU A N 1 ATOM 274 C CA . LEU A 1 34 ? 38.805 5.847 34.033 1.00 48.42 ? 96 LEU A CA 1 ATOM 275 C C . LEU A 1 34 ? 39.769 6.866 34.621 1.00 43.36 ? 96 LEU A C 1 ATOM 276 O O . LEU A 1 34 ? 40.843 7.118 34.069 1.00 44.00 ? 96 LEU A O 1 ATOM 277 C CB . LEU A 1 34 ? 39.391 4.454 34.171 1.00 48.33 ? 96 LEU A CB 1 ATOM 278 C CG . LEU A 1 34 ? 39.654 3.991 35.593 1.00 47.31 ? 96 LEU A CG 1 ATOM 279 C CD1 . LEU A 1 34 ? 38.336 3.633 36.272 1.00 44.83 ? 96 LEU A CD1 1 ATOM 280 C CD2 . LEU A 1 34 ? 40.591 2.787 35.580 1.00 49.00 ? 96 LEU A CD2 1 ATOM 281 N N . TYR A 1 35 ? 39.379 7.444 35.757 1.00 34.85 ? 97 TYR A N 1 ATOM 282 C CA . TYR A 1 35 ? 40.272 8.297 36.513 1.00 33.51 ? 97 TYR A CA 1 ATOM 283 C C . TYR A 1 35 ? 40.882 7.508 37.667 1.00 33.11 ? 97 TYR A C 1 ATOM 284 O O . TYR A 1 35 ? 40.169 6.796 38.383 1.00 32.64 ? 97 TYR A O 1 ATOM 285 C CB . TYR A 1 35 ? 39.525 9.464 37.137 1.00 33.96 ? 97 TYR A CB 1 ATOM 286 C CG . TYR A 1 35 ? 38.914 10.470 36.192 1.00 33.66 ? 97 TYR A CG 1 ATOM 287 C CD1 . TYR A 1 35 ? 37.733 10.205 35.522 1.00 35.03 ? 97 TYR A CD1 1 ATOM 288 C CD2 . TYR A 1 35 ? 39.503 11.708 36.007 1.00 33.41 ? 97 TYR A CD2 1 ATOM 289 C CE1 . TYR A 1 35 ? 37.150 11.165 34.681 1.00 37.67 ? 97 TYR A CE1 1 ATOM 290 C CE2 . TYR A 1 35 ? 38.929 12.672 35.176 1.00 34.70 ? 97 TYR A CE2 1 ATOM 291 C CZ . TYR A 1 35 ? 37.768 12.390 34.521 1.00 33.80 ? 97 TYR A CZ 1 ATOM 292 O OH . TYR A 1 35 ? 37.250 13.358 33.696 1.00 40.19 ? 97 TYR A OH 1 ATOM 293 N N . ILE A 1 36 ? 42.190 7.642 37.862 1.00 30.22 ? 98 ILE A N 1 ATOM 294 C CA . ILE A 1 36 ? 42.873 6.981 39.000 1.00 28.64 ? 98 ILE A CA 1 ATOM 295 C C . ILE A 1 36 ? 43.688 7.932 39.839 1.00 29.51 ? 98 ILE A C 1 ATOM 296 O O . ILE A 1 36 ? 43.953 9.073 39.444 1.00 31.37 ? 98 ILE A O 1 ATOM 297 C CB . ILE A 1 36 ? 43.832 5.839 38.553 1.00 32.16 ? 98 ILE A CB 1 ATOM 298 C CG1 . ILE A 1 36 ? 45.043 6.375 37.794 1.00 32.29 ? 98 ILE A CG1 1 ATOM 299 C CG2 . ILE A 1 36 ? 43.095 4.806 37.724 1.00 31.61 ? 98 ILE A CG2 1 ATOM 300 C CD1 . ILE A 1 36 ? 45.999 5.272 37.363 1.00 35.66 ? 98 ILE A CD1 1 ATOM 301 N N . PHE A 1 37 ? 44.074 7.462 41.029 1.00 29.04 ? 99 PHE A N 1 ATOM 302 C CA . PHE A 1 37 ? 45.118 8.105 41.803 1.00 27.62 ? 99 PHE A CA 1 ATOM 303 C C . PHE A 1 37 ? 46.087 7.007 42.149 1.00 27.75 ? 99 PHE A C 1 ATOM 304 O O . PHE A 1 37 ? 45.723 5.847 42.207 1.00 28.21 ? 99 PHE A O 1 ATOM 305 C CB . PHE A 1 37 ? 44.626 8.770 43.106 1.00 26.24 ? 99 PHE A CB 1 ATOM 306 C CG . PHE A 1 37 ? 44.054 7.776 44.105 1.00 25.80 ? 99 PHE A CG 1 ATOM 307 C CD1 . PHE A 1 37 ? 42.726 7.362 44.006 1.00 27.03 ? 99 PHE A CD1 1 ATOM 308 C CD2 . PHE A 1 37 ? 44.852 7.262 45.118 1.00 25.69 ? 99 PHE A CD2 1 ATOM 309 C CE1 . PHE A 1 37 ? 42.181 6.435 44.902 1.00 25.52 ? 99 PHE A CE1 1 ATOM 310 C CE2 . PHE A 1 37 ? 44.317 6.335 46.035 1.00 26.28 ? 99 PHE A CE2 1 ATOM 311 C CZ . PHE A 1 37 ? 42.990 5.922 45.920 1.00 24.06 ? 99 PHE A CZ 1 ATOM 312 N N . LYS A 1 38 ? 47.332 7.398 42.341 1.00 26.12 ? 100 LYS A N 1 ATOM 313 C CA . LYS A 1 38 ? 48.355 6.511 42.803 1.00 27.29 ? 100 LYS A CA 1 ATOM 314 C C . LYS A 1 38 ? 48.857 7.034 44.124 1.00 26.12 ? 100 LYS A C 1 ATOM 315 O O . LYS A 1 38 ? 48.790 8.225 44.416 1.00 27.64 ? 100 LYS A O 1 ATOM 316 C CB . LYS A 1 38 ? 49.528 6.455 41.818 1.00 27.93 ? 100 LYS A CB 1 ATOM 317 C CG . LYS A 1 38 ? 49.179 5.909 40.432 1.00 28.74 ? 100 LYS A CG 1 ATOM 318 C CD . LYS A 1 38 ? 50.439 5.749 39.585 1.00 31.64 ? 100 LYS A CD 1 ATOM 319 C CE . LYS A 1 38 ? 50.088 5.355 38.161 1.00 34.88 ? 100 LYS A CE 1 ATOM 320 N NZ . LYS A 1 38 ? 51.303 4.902 37.411 1.00 38.87 ? 100 LYS A NZ 1 ATOM 321 N N . GLY A 1 39 ? 49.386 6.132 44.918 1.00 26.01 ? 101 GLY A N 1 ATOM 322 C CA . GLY A 1 39 ? 49.904 6.495 46.218 1.00 27.03 ? 101 GLY A CA 1 ATOM 323 C C . GLY A 1 39 ? 51.047 5.606 46.679 1.00 26.46 ? 101 GLY A C 1 ATOM 324 O O . GLY A 1 39 ? 51.277 4.502 46.153 1.00 25.21 ? 101 GLY A O 1 ATOM 325 N N . LYS A 1 40 ? 51.795 6.115 47.650 1.00 24.82 ? 102 LYS A N 1 ATOM 326 C CA . LYS A 1 40 ? 52.820 5.357 48.321 1.00 25.44 ? 102 LYS A CA 1 ATOM 327 C C . LYS A 1 40 ? 52.714 5.737 49.788 1.00 27.22 ? 102 LYS A C 1 ATOM 328 O O . LYS A 1 40 ? 52.468 6.915 50.102 1.00 25.91 ? 102 LYS A O 1 ATOM 329 C CB . LYS A 1 40 ? 54.187 5.767 47.763 1.00 31.29 ? 102 LYS A CB 1 ATOM 330 C CG . LYS A 1 40 ? 55.378 5.174 48.484 1.00 36.62 ? 102 LYS A CG 1 ATOM 331 C CD . LYS A 1 40 ? 56.722 5.664 47.896 1.00 41.49 ? 102 LYS A CD 1 ATOM 332 C CE . LYS A 1 40 ? 57.839 4.806 48.496 1.00 44.05 ? 102 LYS A CE 1 ATOM 333 N NZ . LYS A 1 40 ? 59.261 5.233 48.168 1.00 47.15 ? 102 LYS A NZ 1 ATOM 334 N N . SER A 1 41 ? 52.844 4.763 50.677 1.00 24.55 ? 103 SER A N 1 ATOM 335 C CA . SER A 1 41 ? 52.782 5.073 52.103 1.00 24.19 ? 103 SER A CA 1 ATOM 336 C C . SER A 1 41 ? 53.782 4.283 52.885 1.00 26.81 ? 103 SER A C 1 ATOM 337 O O . SER A 1 41 ? 54.140 3.141 52.516 1.00 26.68 ? 103 SER A O 1 ATOM 338 C CB . SER A 1 41 ? 51.368 4.800 52.648 1.00 25.79 ? 103 SER A CB 1 ATOM 339 O OG . SER A 1 41 ? 51.311 5.263 54.014 1.00 27.69 ? 103 SER A OG 1 ATOM 340 N N . ILE A 1 42 ? 54.228 4.870 53.979 1.00 25.35 ? 104 ILE A N 1 ATOM 341 C CA . ILE A 1 42 ? 54.936 4.124 54.983 1.00 25.80 ? 104 ILE A CA 1 ATOM 342 C C . ILE A 1 42 ? 54.301 4.363 56.349 1.00 24.33 ? 104 ILE A C 1 ATOM 343 O O . ILE A 1 42 ? 54.156 5.520 56.767 1.00 25.86 ? 104 ILE A O 1 ATOM 344 C CB . ILE A 1 42 ? 56.408 4.522 55.058 1.00 28.59 ? 104 ILE A CB 1 ATOM 345 C CG1 . ILE A 1 42 ? 57.122 4.273 53.716 1.00 30.32 ? 104 ILE A CG1 1 ATOM 346 C CG2 . ILE A 1 42 ? 57.060 3.721 56.169 1.00 28.15 ? 104 ILE A CG2 1 ATOM 347 C CD1 . ILE A 1 42 ? 58.609 4.566 53.813 1.00 33.29 ? 104 ILE A CD1 1 ATOM 348 N N . VAL A 1 43 ? 53.881 3.292 57.009 1.00 24.17 ? 105 VAL A N 1 ATOM 349 C CA . VAL A 1 43 ? 53.361 3.414 58.391 1.00 24.70 ? 105 VAL A CA 1 ATOM 350 C C . VAL A 1 43 ? 54.387 2.842 59.331 1.00 25.61 ? 105 VAL A C 1 ATOM 351 O O . VAL A 1 43 ? 54.874 1.719 59.133 1.00 27.00 ? 105 VAL A O 1 ATOM 352 C CB . VAL A 1 43 ? 51.962 2.749 58.615 1.00 24.77 ? 105 VAL A CB 1 ATOM 353 C CG1 . VAL A 1 43 ? 51.968 1.262 58.272 1.00 23.55 ? 105 VAL A CG1 1 ATOM 354 C CG2 . VAL A 1 43 ? 51.467 2.933 60.073 1.00 24.30 ? 105 VAL A CG2 1 ATOM 355 N N . ARG A 1 44 ? 54.728 3.621 60.334 1.00 25.60 ? 106 ARG A N 1 ATOM 356 C CA . ARG A 1 44 ? 55.505 3.164 61.443 1.00 27.25 ? 106 ARG A CA 1 ATOM 357 C C . ARG A 1 44 ? 54.592 2.849 62.632 1.00 27.85 ? 106 ARG A C 1 ATOM 358 O O . ARG A 1 44 ? 53.812 3.671 63.032 1.00 25.59 ? 106 ARG A O 1 ATOM 359 C CB . ARG A 1 44 ? 56.518 4.189 61.844 1.00 26.84 ? 106 ARG A CB 1 ATOM 360 C CG . ARG A 1 44 ? 57.353 3.773 63.016 1.00 29.89 ? 106 ARG A CG 1 ATOM 361 C CD . ARG A 1 44 ? 58.087 4.934 63.640 1.00 33.94 ? 106 ARG A CD 1 ATOM 362 N NE . ARG A 1 44 ? 58.983 5.507 62.688 1.00 38.20 ? 106 ARG A NE 1 ATOM 363 C CZ . ARG A 1 44 ? 59.020 6.773 62.318 1.00 36.39 ? 106 ARG A CZ 1 ATOM 364 N NH1 . ARG A 1 44 ? 58.226 7.674 62.836 1.00 35.74 ? 106 ARG A NH1 1 ATOM 365 N NH2 . ARG A 1 44 ? 59.907 7.126 61.430 1.00 42.39 ? 106 ARG A NH2 1 ATOM 366 N N . PHE A 1 45 ? 54.714 1.635 63.142 1.00 27.15 ? 107 PHE A N 1 ATOM 367 C CA . PHE A 1 45 ? 53.909 1.157 64.244 1.00 27.52 ? 107 PHE A CA 1 ATOM 368 C C . PHE A 1 45 ? 54.737 0.438 65.294 1.00 29.88 ? 107 PHE A C 1 ATOM 369 O O . PHE A 1 45 ? 55.836 0.023 65.038 1.00 28.56 ? 107 PHE A O 1 ATOM 370 C CB . PHE A 1 45 ? 52.777 0.297 63.744 1.00 25.18 ? 107 PHE A CB 1 ATOM 371 C CG . PHE A 1 45 ? 53.215 -0.969 63.097 1.00 28.64 ? 107 PHE A CG 1 ATOM 372 C CD1 . PHE A 1 45 ? 53.555 -2.047 63.843 1.00 27.36 ? 107 PHE A CD1 1 ATOM 373 C CD2 . PHE A 1 45 ? 53.285 -1.080 61.741 1.00 29.27 ? 107 PHE A CD2 1 ATOM 374 C CE1 . PHE A 1 45 ? 53.945 -3.216 63.265 1.00 29.19 ? 107 PHE A CE1 1 ATOM 375 C CE2 . PHE A 1 45 ? 53.672 -2.243 61.143 1.00 30.26 ? 107 PHE A CE2 1 ATOM 376 C CZ . PHE A 1 45 ? 54.014 -3.313 61.904 1.00 30.04 ? 107 PHE A CZ 1 ATOM 377 N N . LEU A 1 46 ? 54.161 0.304 66.479 1.00 30.59 ? 108 LEU A N 1 ATOM 378 C CA . LEU A 1 46 ? 54.796 -0.317 67.620 1.00 30.11 ? 108 LEU A CA 1 ATOM 379 C C . LEU A 1 46 ? 54.083 -1.601 68.030 1.00 31.34 ? 108 LEU A C 1 ATOM 380 O O . LEU A 1 46 ? 52.903 -1.657 68.044 1.00 31.22 ? 108 LEU A O 1 ATOM 381 C CB . LEU A 1 46 ? 54.844 0.669 68.766 1.00 32.43 ? 108 LEU A CB 1 ATOM 382 C CG . LEU A 1 46 ? 55.488 0.275 70.065 1.00 33.00 ? 108 LEU A CG 1 ATOM 383 C CD1 . LEU A 1 46 ? 56.306 -0.959 69.955 1.00 42.23 ? 108 LEU A CD1 1 ATOM 384 C CD2 . LEU A 1 46 ? 56.371 1.373 70.560 1.00 45.79 ? 108 LEU A CD2 1 ATOM 385 N N . CYS A 1 47 ? 54.835 -2.624 68.345 1.00 28.57 ? 109 CYS A N 1 ATOM 386 C CA . CYS A 1 47 ? 54.265 -3.870 68.783 1.00 31.58 ? 109 CYS A CA 1 ATOM 387 C C . CYS A 1 47 ? 53.977 -3.792 70.288 1.00 32.42 ? 109 CYS A C 1 ATOM 388 O O . CYS A 1 47 ? 54.870 -3.582 71.042 1.00 31.39 ? 109 CYS A O 1 ATOM 389 C CB . CYS A 1 47 ? 55.224 -5.034 68.543 1.00 31.73 ? 109 CYS A CB 1 ATOM 390 S SG . CYS A 1 47 ? 54.623 -6.632 69.064 1.00 33.20 ? 109 CYS A SG 1 ATOM 391 N N . GLN A 1 48 ? 52.731 -3.980 70.673 1.00 31.30 ? 110 GLN A N 1 ATOM 392 C CA . GLN A 1 48 ? 52.399 -4.028 72.106 1.00 33.13 ? 110 GLN A CA 1 ATOM 393 C C . GLN A 1 48 ? 52.412 -5.436 72.634 1.00 33.64 ? 110 GLN A C 1 ATOM 394 O O . GLN A 1 48 ? 52.766 -5.659 73.797 1.00 39.03 ? 110 GLN A O 1 ATOM 395 C CB . GLN A 1 48 ? 50.969 -3.558 72.345 1.00 36.18 ? 110 GLN A CB 1 ATOM 396 C CG . GLN A 1 48 ? 50.592 -2.312 71.638 1.00 38.47 ? 110 GLN A CG 1 ATOM 397 C CD . GLN A 1 48 ? 51.487 -1.178 71.977 1.00 41.69 ? 110 GLN A CD 1 ATOM 398 O OE1 . GLN A 1 48 ? 52.128 -0.607 71.088 1.00 50.57 ? 110 GLN A OE1 1 ATOM 399 N NE2 . GLN A 1 48 ? 51.556 -0.834 73.219 1.00 39.82 ? 110 GLN A NE2 1 ATOM 400 N N . GLU A 1 49 ? 51.913 -6.372 71.832 1.00 33.46 ? 111 GLU A N 1 ATOM 401 C CA . GLU A 1 49 ? 51.866 -7.811 72.204 1.00 35.39 ? 111 GLU A CA 1 ATOM 402 C C . GLU A 1 49 ? 52.396 -8.619 70.991 1.00 34.43 ? 111 GLU A C 1 ATOM 403 O O . GLU A 1 49 ? 52.129 -8.261 69.868 1.00 32.92 ? 111 GLU A O 1 ATOM 404 C CB . GLU A 1 49 ? 50.429 -8.285 72.547 1.00 36.45 ? 111 GLU A CB 1 ATOM 405 C CG . GLU A 1 49 ? 49.548 -7.363 73.412 1.00 45.27 ? 111 GLU A CG 1 ATOM 406 C CD . GLU A 1 49 ? 48.030 -7.536 73.097 1.00 55.92 ? 111 GLU A CD 1 ATOM 407 O OE1 . GLU A 1 49 ? 47.542 -8.699 73.265 1.00 52.84 ? 111 GLU A OE1 1 ATOM 408 O OE2 . GLU A 1 49 ? 47.321 -6.546 72.643 1.00 46.66 ? 111 GLU A OE2 1 ATOM 409 N N . PRO A 1 50 ? 53.138 -9.717 71.226 1.00 36.75 ? 112 PRO A N 1 ATOM 410 C CA . PRO A 1 50 ? 53.669 -10.508 70.114 1.00 37.48 ? 112 PRO A CA 1 ATOM 411 C C . PRO A 1 50 ? 52.539 -10.999 69.197 1.00 37.58 ? 112 PRO A C 1 ATOM 412 O O . PRO A 1 50 ? 51.460 -11.377 69.649 1.00 35.31 ? 112 PRO A O 1 ATOM 413 C CB . PRO A 1 50 ? 54.375 -11.685 70.803 1.00 40.12 ? 112 PRO A CB 1 ATOM 414 C CG . PRO A 1 50 ? 53.770 -11.766 72.163 1.00 42.15 ? 112 PRO A CG 1 ATOM 415 C CD . PRO A 1 50 ? 53.310 -10.383 72.534 1.00 39.15 ? 112 PRO A CD 1 ATOM 416 N N . THR A 1 51 ? 52.788 -10.940 67.910 1.00 32.94 ? 113 THR A N 1 ATOM 417 C CA . THR A 1 51 ? 51.841 -11.395 66.923 1.00 36.46 ? 113 THR A CA 1 ATOM 418 C C . THR A 1 51 ? 52.629 -11.664 65.647 1.00 35.07 ? 113 THR A C 1 ATOM 419 O O . THR A 1 51 ? 53.625 -10.991 65.357 1.00 33.96 ? 113 THR A O 1 ATOM 420 C CB . THR A 1 51 ? 50.673 -10.391 66.679 1.00 33.96 ? 113 THR A CB 1 ATOM 421 O OG1 . THR A 1 51 ? 49.787 -10.933 65.707 1.00 32.45 ? 113 THR A OG1 1 ATOM 422 C CG2 . THR A 1 51 ? 51.161 -8.997 66.165 1.00 33.02 ? 113 THR A CG2 1 ATOM 423 N N . ASP A 1 52 ? 52.173 -12.667 64.912 1.00 33.79 ? 114 ASP A N 1 ATOM 424 C CA . ASP A 1 52 ? 52.763 -13.053 63.616 1.00 32.72 ? 114 ASP A CA 1 ATOM 425 C C . ASP A 1 52 ? 51.877 -12.620 62.433 1.00 33.79 ? 114 ASP A C 1 ATOM 426 O O . ASP A 1 52 ? 52.008 -13.129 61.304 1.00 34.63 ? 114 ASP A O 1 ATOM 427 C CB . ASP A 1 52 ? 53.018 -14.554 63.609 1.00 34.30 ? 114 ASP A CB 1 ATOM 428 C CG . ASP A 1 52 ? 51.740 -15.362 63.670 1.00 39.27 ? 114 ASP A CG 1 ATOM 429 O OD1 . ASP A 1 52 ? 50.656 -14.782 63.857 1.00 37.91 ? 114 ASP A OD1 1 ATOM 430 O OD2 . ASP A 1 52 ? 51.807 -16.589 63.501 1.00 41.29 ? 114 ASP A OD2 1 ATOM 431 N N . VAL A 1 53 ? 50.995 -11.654 62.686 1.00 33.57 ? 115 VAL A N 1 ATOM 432 C CA . VAL A 1 53 ? 50.132 -11.115 61.630 1.00 31.41 ? 115 VAL A CA 1 ATOM 433 C C . VAL A 1 53 ? 49.954 -9.598 61.793 1.00 30.84 ? 115 VAL A C 1 ATOM 434 O O . VAL A 1 53 ? 49.827 -9.102 62.912 1.00 31.19 ? 115 VAL A O 1 ATOM 435 C CB . VAL A 1 53 ? 48.771 -11.857 61.616 1.00 34.42 ? 115 VAL A CB 1 ATOM 436 C CG1 . VAL A 1 53 ? 47.938 -11.505 62.862 1.00 32.50 ? 115 VAL A CG1 1 ATOM 437 C CG2 . VAL A 1 53 ? 47.984 -11.550 60.343 1.00 31.49 ? 115 VAL A CG2 1 ATOM 438 N N . ILE A 1 54 ? 49.948 -8.859 60.684 1.00 27.97 ? 116 ILE A N 1 ATOM 439 C CA . ILE A 1 54 ? 49.636 -7.433 60.701 1.00 27.28 ? 116 ILE A CA 1 ATOM 440 C C . ILE A 1 54 ? 48.323 -7.265 59.965 1.00 26.64 ? 116 ILE A C 1 ATOM 441 O O . ILE A 1 54 ? 48.168 -7.694 58.820 1.00 28.67 ? 116 ILE A O 1 ATOM 442 C CB . ILE A 1 54 ? 50.694 -6.623 59.974 1.00 26.54 ? 116 ILE A CB 1 ATOM 443 C CG1 . ILE A 1 54 ? 52.034 -6.763 60.658 1.00 28.77 ? 116 ILE A CG1 1 ATOM 444 C CG2 . ILE A 1 54 ? 50.354 -5.135 59.875 1.00 23.99 ? 116 ILE A CG2 1 ATOM 445 C CD1 . ILE A 1 54 ? 53.174 -6.404 59.729 1.00 27.23 ? 116 ILE A CD1 1 ATOM 446 N N . ILE A 1 55 ? 47.379 -6.642 60.629 1.00 26.87 ? 117 ILE A N 1 ATOM 447 C CA . ILE A 1 55 ? 46.076 -6.402 60.058 1.00 26.99 ? 117 ILE A CA 1 ATOM 448 C C . ILE A 1 55 ? 45.889 -4.898 60.022 1.00 27.19 ? 117 ILE A C 1 ATOM 449 O O . ILE A 1 55 ? 45.959 -4.242 61.056 1.00 27.34 ? 117 ILE A O 1 ATOM 450 C CB . ILE A 1 55 ? 44.964 -7.079 60.885 1.00 27.89 ? 117 ILE A CB 1 ATOM 451 C CG1 . ILE A 1 55 ? 45.203 -8.584 60.864 1.00 27.68 ? 117 ILE A CG1 1 ATOM 452 C CG2 . ILE A 1 55 ? 43.582 -6.760 60.284 1.00 29.42 ? 117 ILE A CG2 1 ATOM 453 C CD1 . ILE A 1 55 ? 44.356 -9.395 61.814 1.00 30.28 ? 117 ILE A CD1 1 ATOM 454 N N . ILE A 1 56 ? 45.657 -4.368 58.832 1.00 25.35 ? 118 ILE A N 1 ATOM 455 C CA . ILE A 1 56 ? 45.485 -2.943 58.628 1.00 26.31 ? 118 ILE A CA 1 ATOM 456 C C . ILE A 1 56 ? 44.336 -2.773 57.632 1.00 24.46 ? 118 ILE A C 1 ATOM 457 O O . ILE A 1 56 ? 44.051 -3.704 56.871 1.00 25.63 ? 118 ILE A O 1 ATOM 458 C CB . ILE A 1 56 ? 46.823 -2.346 58.132 1.00 24.94 ? 118 ILE A CB 1 ATOM 459 C CG1 . ILE A 1 56 ? 46.847 -0.855 58.286 1.00 25.76 ? 118 ILE A CG1 1 ATOM 460 C CG2 . ILE A 1 56 ? 47.128 -2.757 56.684 1.00 25.93 ? 118 ILE A CG2 1 ATOM 461 C CD1 . ILE A 1 56 ? 48.253 -0.256 58.048 1.00 26.20 ? 118 ILE A CD1 1 ATOM 462 N N . HIS A 1 57 ? 43.637 -1.632 57.641 1.00 23.05 ? 119 HIS A N 1 ATOM 463 C CA . HIS A 1 57 ? 42.510 -1.504 56.742 1.00 23.73 ? 119 HIS A CA 1 ATOM 464 C C . HIS A 1 57 ? 42.973 -1.156 55.346 1.00 24.04 ? 119 HIS A C 1 ATOM 465 O O . HIS A 1 57 ? 43.969 -0.424 55.175 1.00 23.09 ? 119 HIS A O 1 ATOM 466 C CB . HIS A 1 57 ? 41.545 -0.434 57.208 1.00 22.35 ? 119 HIS A CB 1 ATOM 467 C CG . HIS A 1 57 ? 40.761 -0.804 58.432 1.00 24.49 ? 119 HIS A CG 1 ATOM 468 N ND1 . HIS A 1 57 ? 41.052 -0.292 59.676 1.00 26.15 ? 119 HIS A ND1 1 ATOM 469 C CD2 . HIS A 1 57 ? 39.689 -1.613 58.600 1.00 23.77 ? 119 HIS A CD2 1 ATOM 470 C CE1 . HIS A 1 57 ? 40.195 -0.763 60.565 1.00 25.30 ? 119 HIS A CE1 1 ATOM 471 N NE2 . HIS A 1 57 ? 39.349 -1.562 59.935 1.00 25.53 ? 119 HIS A NE2 1 ATOM 472 N N . SER A 1 58 ? 42.221 -1.636 54.367 1.00 24.25 ? 120 SER A N 1 ATOM 473 C CA . SER A 1 58 ? 42.426 -1.303 52.942 1.00 25.31 ? 120 SER A CA 1 ATOM 474 C C . SER A 1 58 ? 41.109 -1.582 52.212 1.00 27.07 ? 120 SER A C 1 ATOM 475 O O . SER A 1 58 ? 40.489 -2.643 52.420 1.00 27.41 ? 120 SER A O 1 ATOM 476 C CB . SER A 1 58 ? 43.552 -2.175 52.346 1.00 24.52 ? 120 SER A CB 1 ATOM 477 O OG . SER A 1 58 ? 43.738 -1.901 50.975 1.00 27.07 ? 120 SER A OG 1 ATOM 478 N N . LYS A 1 59 ? 40.684 -0.629 51.379 1.00 25.33 ? 121 LYS A N 1 ATOM 479 C CA . LYS A 1 59 ? 39.412 -0.738 50.664 1.00 27.16 ? 121 LYS A CA 1 ATOM 480 C C . LYS A 1 59 ? 39.599 -0.264 49.248 1.00 26.08 ? 121 LYS A C 1 ATOM 481 O O . LYS A 1 59 ? 40.005 0.874 49.031 1.00 27.67 ? 121 LYS A O 1 ATOM 482 C CB . LYS A 1 59 ? 38.409 0.176 51.371 1.00 28.45 ? 121 LYS A CB 1 ATOM 483 C CG . LYS A 1 59 ? 36.978 0.200 50.841 1.00 30.24 ? 121 LYS A CG 1 ATOM 484 C CD . LYS A 1 59 ? 36.109 1.116 51.730 1.00 27.78 ? 121 LYS A CD 1 ATOM 485 C CE . LYS A 1 59 ? 34.707 1.335 51.147 1.00 29.52 ? 121 LYS A CE 1 ATOM 486 N NZ . LYS A 1 59 ? 33.980 2.220 52.105 1.00 27.25 ? 121 LYS A NZ 1 ATOM 487 N N . LYS A 1 60 ? 39.309 -1.113 48.273 1.00 26.99 ? 122 LYS A N 1 ATOM 488 C CA . LYS A 1 60 ? 39.349 -0.678 46.876 1.00 27.81 ? 122 LYS A CA 1 ATOM 489 C C . LYS A 1 60 ? 40.696 -0.127 46.402 1.00 27.78 ? 122 LYS A C 1 ATOM 490 O O . LYS A 1 60 ? 40.764 0.746 45.535 1.00 28.30 ? 122 LYS A O 1 ATOM 491 C CB . LYS A 1 60 ? 38.183 0.275 46.594 1.00 29.69 ? 122 LYS A CB 1 ATOM 492 C CG . LYS A 1 60 ? 36.918 -0.548 46.618 1.00 33.79 ? 122 LYS A CG 1 ATOM 493 C CD . LYS A 1 60 ? 35.660 0.201 46.921 1.00 35.09 ? 122 LYS A CD 1 ATOM 494 C CE . LYS A 1 60 ? 34.568 -0.792 46.478 1.00 40.91 ? 122 LYS A CE 1 ATOM 495 N NZ . LYS A 1 60 ? 33.242 -0.302 46.906 1.00 48.70 ? 122 LYS A NZ 1 ATOM 496 N N . LEU A 1 61 ? 41.755 -0.696 46.952 1.00 27.73 ? 123 LEU A N 1 ATOM 497 C CA . LEU A 1 61 ? 43.120 -0.371 46.573 1.00 27.80 ? 123 LEU A CA 1 ATOM 498 C C . LEU A 1 61 ? 43.791 -1.549 45.889 1.00 28.13 ? 123 LEU A C 1 ATOM 499 O O . LEU A 1 61 ? 43.683 -2.685 46.347 1.00 27.36 ? 123 LEU A O 1 ATOM 500 C CB . LEU A 1 61 ? 43.923 0.045 47.802 1.00 25.47 ? 123 LEU A CB 1 ATOM 501 C CG . LEU A 1 61 ? 43.533 1.410 48.409 1.00 24.41 ? 123 LEU A CG 1 ATOM 502 C CD1 . LEU A 1 61 ? 44.345 1.661 49.700 1.00 24.63 ? 123 LEU A CD1 1 ATOM 503 C CD2 . LEU A 1 61 ? 43.717 2.572 47.405 1.00 24.55 ? 123 LEU A CD2 1 ATOM 504 N N . ASN A 1 62 ? 44.466 -1.276 44.779 1.00 27.82 ? 124 ASN A N 1 ATOM 505 C CA . ASN A 1 62 ? 45.261 -2.293 44.083 1.00 29.39 ? 124 ASN A CA 1 ATOM 506 C C . ASN A 1 62 ? 46.714 -2.046 44.465 1.00 29.92 ? 124 ASN A C 1 ATOM 507 O O . ASN A 1 62 ? 47.166 -0.922 44.416 1.00 28.42 ? 124 ASN A O 1 ATOM 508 C CB . ASN A 1 62 ? 45.116 -2.152 42.580 1.00 30.93 ? 124 ASN A CB 1 ATOM 509 C CG . ASN A 1 62 ? 43.764 -2.645 42.054 1.00 35.29 ? 124 ASN A CG 1 ATOM 510 O OD1 . ASN A 1 62 ? 42.956 -3.200 42.784 1.00 36.55 ? 124 ASN A OD1 1 ATOM 511 N ND2 . ASN A 1 62 ? 43.536 -2.435 40.763 1.00 35.38 ? 124 ASN A ND2 1 ATOM 512 N N . TYR A 1 63 ? 47.448 -3.081 44.829 1.00 27.59 ? 125 TYR A N 1 ATOM 513 C CA . TYR A 1 63 ? 48.815 -2.916 45.285 1.00 28.83 ? 125 TYR A CA 1 ATOM 514 C C . TYR A 1 63 ? 49.784 -3.180 44.139 1.00 31.42 ? 125 TYR A C 1 ATOM 515 O O . TYR A 1 63 ? 49.636 -4.135 43.423 1.00 30.91 ? 125 TYR A O 1 ATOM 516 C CB . TYR A 1 63 ? 49.107 -3.796 46.506 1.00 28.46 ? 125 TYR A CB 1 ATOM 517 C CG . TYR A 1 63 ? 48.411 -3.196 47.707 1.00 28.29 ? 125 TYR A CG 1 ATOM 518 C CD1 . TYR A 1 63 ? 47.077 -3.453 47.940 1.00 29.57 ? 125 TYR A CD1 1 ATOM 519 C CD2 . TYR A 1 63 ? 49.057 -2.276 48.523 1.00 27.01 ? 125 TYR A CD2 1 ATOM 520 C CE1 . TYR A 1 63 ? 46.408 -2.857 49.008 1.00 28.82 ? 125 TYR A CE1 1 ATOM 521 C CE2 . TYR A 1 63 ? 48.403 -1.653 49.595 1.00 27.29 ? 125 TYR A CE2 1 ATOM 522 C CZ . TYR A 1 63 ? 47.070 -1.942 49.828 1.00 27.59 ? 125 TYR A CZ 1 ATOM 523 O OH . TYR A 1 63 ? 46.411 -1.272 50.840 1.00 27.03 ? 125 TYR A OH 1 ATOM 524 N N . THR A 1 64 ? 50.780 -2.318 43.999 1.00 29.79 ? 126 THR A N 1 ATOM 525 C CA . THR A 1 64 ? 51.816 -2.511 42.980 1.00 30.49 ? 126 THR A CA 1 ATOM 526 C C . THR A 1 64 ? 53.199 -2.531 43.618 1.00 29.60 ? 126 THR A C 1 ATOM 527 O O . THR A 1 64 ? 54.206 -2.386 42.946 1.00 31.97 ? 126 THR A O 1 ATOM 528 C CB . THR A 1 64 ? 51.808 -1.357 41.977 1.00 31.79 ? 126 THR A CB 1 ATOM 529 O OG1 . THR A 1 64 ? 52.019 -0.142 42.694 1.00 31.99 ? 126 THR A OG1 1 ATOM 530 C CG2 . THR A 1 64 ? 50.467 -1.296 41.191 1.00 34.22 ? 126 THR A CG2 1 ATOM 531 N N . THR A 1 65 ? 53.248 -2.724 44.923 1.00 27.50 ? 127 THR A N 1 ATOM 532 C CA . THR A 1 65 ? 54.476 -2.855 45.665 1.00 29.90 ? 127 THR A CA 1 ATOM 533 C C . THR A 1 65 ? 55.349 -3.965 45.090 1.00 33.18 ? 127 THR A C 1 ATOM 534 O O . THR A 1 65 ? 54.830 -5.032 44.707 1.00 33.32 ? 127 THR A O 1 ATOM 535 C CB . THR A 1 65 ? 54.156 -3.191 47.137 1.00 28.68 ? 127 THR A CB 1 ATOM 536 O OG1 . THR A 1 65 ? 53.122 -2.321 47.600 1.00 28.52 ? 127 THR A OG1 1 ATOM 537 C CG2 . THR A 1 65 ? 55.378 -3.024 48.006 1.00 30.68 ? 127 THR A CG2 1 ATOM 538 N N . GLN A 1 66 ? 56.668 -3.716 45.036 1.00 33.35 ? 128 GLN A N 1 ATOM 539 C CA . GLN A 1 66 ? 57.626 -4.774 44.625 1.00 35.11 ? 128 GLN A CA 1 ATOM 540 C C . GLN A 1 66 ? 57.589 -5.930 45.633 1.00 34.10 ? 128 GLN A C 1 ATOM 541 O O . GLN A 1 66 ? 57.736 -5.694 46.862 1.00 35.88 ? 128 GLN A O 1 ATOM 542 C CB . GLN A 1 66 ? 59.038 -4.235 44.550 1.00 37.38 ? 128 GLN A CB 1 ATOM 543 C CG . GLN A 1 66 ? 60.070 -5.281 44.125 1.00 45.25 ? 128 GLN A CG 1 ATOM 544 C CD . GLN A 1 66 ? 61.493 -4.721 43.969 1.00 45.01 ? 128 GLN A CD 1 ATOM 545 O OE1 . GLN A 1 66 ? 61.965 -4.428 42.842 1.00 46.71 ? 128 GLN A OE1 1 ATOM 546 N NE2 . GLN A 1 66 ? 62.198 -4.594 45.103 1.00 49.04 ? 128 GLN A NE2 1 ATOM 547 N N . GLY A 1 67 ? 57.377 -7.148 45.147 1.00 33.70 ? 129 GLY A N 1 ATOM 548 C CA . GLY A 1 67 ? 57.316 -8.360 46.020 1.00 33.46 ? 129 GLY A CA 1 ATOM 549 C C . GLY A 1 67 ? 55.898 -8.686 46.464 1.00 32.71 ? 129 GLY A C 1 ATOM 550 O O . GLY A 1 67 ? 55.001 -8.885 45.628 1.00 33.10 ? 129 GLY A O 1 ATOM 551 N N . HIS A 1 68 ? 55.698 -8.751 47.781 1.00 31.85 ? 130 HIS A N 1 ATOM 552 C CA . HIS A 1 68 ? 54.368 -8.872 48.374 1.00 32.36 ? 130 HIS A CA 1 ATOM 553 C C . HIS A 1 68 ? 53.715 -7.505 48.333 1.00 31.37 ? 130 HIS A C 1 ATOM 554 O O . HIS A 1 68 ? 54.321 -6.527 47.855 1.00 30.84 ? 130 HIS A O 1 ATOM 555 C CB . HIS A 1 68 ? 54.485 -9.364 49.827 1.00 30.66 ? 130 HIS A CB 1 ATOM 556 C CG . HIS A 1 68 ? 55.161 -10.694 49.941 1.00 31.87 ? 130 HIS A CG 1 ATOM 557 N ND1 . HIS A 1 68 ? 54.497 -11.889 49.749 1.00 34.72 ? 130 HIS A ND1 1 ATOM 558 C CD2 . HIS A 1 68 ? 56.444 -11.016 50.218 1.00 33.99 ? 130 HIS A CD2 1 ATOM 559 C CE1 . HIS A 1 68 ? 55.346 -12.892 49.899 1.00 33.50 ? 130 HIS A CE1 1 ATOM 560 N NE2 . HIS A 1 68 ? 56.537 -12.389 50.179 1.00 34.67 ? 130 HIS A NE2 1 ATOM 561 N N . MET A 1 69 ? 52.501 -7.407 48.871 1.00 28.88 ? 131 MET A N 1 ATOM 562 C CA . MET A 1 69 ? 51.777 -6.145 48.800 1.00 30.03 ? 131 MET A CA 1 ATOM 563 C C . MET A 1 69 ? 52.424 -5.065 49.672 1.00 29.83 ? 131 MET A C 1 ATOM 564 O O . MET A 1 69 ? 52.131 -3.892 49.510 1.00 27.36 ? 131 MET A O 1 ATOM 565 C CB . MET A 1 69 ? 50.317 -6.340 49.195 1.00 28.73 ? 131 MET A CB 1 ATOM 566 C CG . MET A 1 69 ? 49.556 -7.193 48.182 1.00 32.74 ? 131 MET A CG 1 ATOM 567 S SD . MET A 1 69 ? 47.985 -7.661 48.914 1.00 34.37 ? 131 MET A SD 1 ATOM 568 C CE . MET A 1 69 ? 47.398 -8.720 47.608 1.00 34.57 ? 131 MET A CE 1 ATOM 569 N N . VAL A 1 70 ? 53.247 -5.475 50.637 1.00 27.22 ? 132 VAL A N 1 ATOM 570 C CA . VAL A 1 70 ? 53.995 -4.534 51.451 1.00 28.64 ? 132 VAL A CA 1 ATOM 571 C C . VAL A 1 70 ? 55.457 -4.950 51.525 1.00 27.80 ? 132 VAL A C 1 ATOM 572 O O . VAL A 1 70 ? 55.811 -6.075 51.200 1.00 29.86 ? 132 VAL A O 1 ATOM 573 C CB . VAL A 1 70 ? 53.430 -4.417 52.886 1.00 27.61 ? 132 VAL A CB 1 ATOM 574 C CG1 . VAL A 1 70 ? 51.947 -4.085 52.852 1.00 27.26 ? 132 VAL A CG1 1 ATOM 575 C CG2 . VAL A 1 70 ? 53.683 -5.700 53.692 1.00 30.09 ? 132 VAL A CG2 1 ATOM 576 N N . VAL A 1 71 ? 56.285 -4.008 51.955 1.00 27.12 ? 133 VAL A N 1 ATOM 577 C CA . VAL A 1 71 ? 57.618 -4.266 52.416 1.00 29.09 ? 133 VAL A CA 1 ATOM 578 C C . VAL A 1 71 ? 57.658 -3.935 53.912 1.00 27.84 ? 133 VAL A C 1 ATOM 579 O O . VAL A 1 71 ? 57.171 -2.897 54.346 1.00 27.88 ? 133 VAL A O 1 ATOM 580 C CB . VAL A 1 71 ? 58.619 -3.396 51.632 1.00 30.06 ? 133 VAL A CB 1 ATOM 581 C CG1 . VAL A 1 71 ? 60.029 -3.673 52.126 1.00 34.46 ? 133 VAL A CG1 1 ATOM 582 C CG2 . VAL A 1 71 ? 58.527 -3.711 50.134 1.00 29.82 ? 133 VAL A CG2 1 ATOM 583 N N . LEU A 1 72 ? 58.280 -4.806 54.694 1.00 28.69 ? 134 LEU A N 1 ATOM 584 C CA . LEU A 1 72 ? 58.307 -4.657 56.136 1.00 28.96 ? 134 LEU A CA 1 ATOM 585 C C . LEU A 1 72 ? 59.716 -4.517 56.622 1.00 29.52 ? 134 LEU A C 1 ATOM 586 O O . LEU A 1 72 ? 60.538 -5.389 56.318 1.00 34.72 ? 134 LEU A O 1 ATOM 587 C CB . LEU A 1 72 ? 57.721 -5.896 56.762 1.00 31.15 ? 134 LEU A CB 1 ATOM 588 C CG . LEU A 1 72 ? 56.762 -5.874 57.931 1.00 36.42 ? 134 LEU A CG 1 ATOM 589 C CD1 . LEU A 1 72 ? 56.908 -7.113 58.796 1.00 34.54 ? 134 LEU A CD1 1 ATOM 590 C CD2 . LEU A 1 72 ? 56.676 -4.634 58.769 1.00 36.18 ? 134 LEU A CD2 1 ATOM 591 N N . ARG A 1 73 ? 60.000 -3.466 57.396 1.00 30.87 ? 135 ARG A N 1 ATOM 592 C CA . ARG A 1 73 ? 61.334 -3.227 57.932 1.00 29.82 ? 135 ARG A CA 1 ATOM 593 C C . ARG A 1 73 ? 61.282 -3.011 59.410 1.00 31.48 ? 135 ARG A C 1 ATOM 594 O O . ARG A 1 73 ? 60.268 -2.545 59.936 1.00 31.66 ? 135 ARG A O 1 ATOM 595 C CB . ARG A 1 73 ? 61.911 -1.960 57.347 1.00 32.20 ? 135 ARG A CB 1 ATOM 596 C CG . ARG A 1 73 ? 62.326 -2.127 55.888 1.00 34.71 ? 135 ARG A CG 1 ATOM 597 C CD . ARG A 1 73 ? 62.649 -0.764 55.318 1.00 36.45 ? 135 ARG A CD 1 ATOM 598 N NE . ARG A 1 73 ? 62.782 -0.920 53.902 1.00 40.10 ? 135 ARG A NE 1 ATOM 599 C CZ . ARG A 1 73 ? 61.917 -0.532 52.971 1.00 38.56 ? 135 ARG A CZ 1 ATOM 600 N NH1 . ARG A 1 73 ? 60.821 0.110 53.260 1.00 38.56 ? 135 ARG A NH1 1 ATOM 601 N NH2 . ARG A 1 73 ? 62.254 -0.735 51.694 1.00 52.01 ? 135 ARG A NH2 1 ATOM 602 N N . GLY A 1 74 ? 62.395 -3.295 60.070 1.00 33.03 ? 136 GLY A N 1 ATOM 603 C CA . GLY A 1 74 ? 62.544 -2.929 61.476 1.00 35.41 ? 136 GLY A CA 1 ATOM 604 C C . GLY A 1 74 ? 63.025 -1.501 61.618 1.00 33.18 ? 136 GLY A C 1 ATOM 605 O O . GLY A 1 74 ? 63.834 -1.049 60.825 1.00 35.43 ? 136 GLY A O 1 ATOM 606 N N . VAL A 1 75 ? 62.535 -0.773 62.615 1.00 30.92 ? 137 VAL A N 1 ATOM 607 C CA . VAL A 1 75 ? 63.078 0.531 62.923 1.00 34.51 ? 137 VAL A CA 1 ATOM 608 C C . VAL A 1 75 ? 64.320 0.401 63.770 1.00 38.06 ? 137 VAL A C 1 ATOM 609 O O . VAL A 1 75 ? 64.384 -0.435 64.706 1.00 38.44 ? 137 VAL A O 1 ATOM 610 C CB . VAL A 1 75 ? 62.067 1.400 63.702 1.00 36.85 ? 137 VAL A CB 1 ATOM 611 C CG1 . VAL A 1 75 ? 62.697 2.705 64.207 1.00 37.28 ? 137 VAL A CG1 1 ATOM 612 C CG2 . VAL A 1 75 ? 60.886 1.708 62.807 1.00 40.65 ? 137 VAL A CG2 1 ATOM 613 N N . GLY A 1 76 ? 65.300 1.248 63.472 1.00 40.15 ? 138 GLY A N 1 ATOM 614 C CA . GLY A 1 76 ? 66.552 1.256 64.231 1.00 42.67 ? 138 GLY A CA 1 ATOM 615 C C . GLY A 1 76 ? 67.231 -0.078 63.974 1.00 44.72 ? 138 GLY A C 1 ATOM 616 O O . GLY A 1 76 ? 67.356 -0.506 62.823 1.00 44.43 ? 138 GLY A O 1 ATOM 617 N N . ASP A 1 77 ? 67.604 -0.778 65.030 1.00 43.93 ? 139 ASP A N 1 ATOM 618 C CA . ASP A 1 77 ? 68.275 -2.070 64.846 1.00 46.00 ? 139 ASP A CA 1 ATOM 619 C C . ASP A 1 77 ? 67.388 -3.284 65.183 1.00 42.64 ? 139 ASP A C 1 ATOM 620 O O . ASP A 1 77 ? 67.882 -4.370 65.403 1.00 42.22 ? 139 ASP A O 1 ATOM 621 C CB . ASP A 1 77 ? 69.592 -2.081 65.595 1.00 49.44 ? 139 ASP A CB 1 ATOM 622 C CG . ASP A 1 77 ? 69.415 -1.799 67.028 1.00 51.81 ? 139 ASP A CG 1 ATOM 623 O OD1 . ASP A 1 77 ? 68.253 -1.866 67.481 1.00 51.62 ? 139 ASP A OD1 1 ATOM 624 O OD2 . ASP A 1 77 ? 70.426 -1.487 67.697 1.00 62.49 ? 139 ASP A OD2 1 ATOM 625 N N . SER A 1 78 ? 66.074 -3.095 65.152 1.00 38.32 ? 140 SER A N 1 ATOM 626 C CA . SER A 1 78 ? 65.149 -4.204 65.282 1.00 38.25 ? 140 SER A CA 1 ATOM 627 C C . SER A 1 78 ? 65.247 -5.104 64.063 1.00 37.86 ? 140 SER A C 1 ATOM 628 O O . SER A 1 78 ? 65.275 -4.624 62.941 1.00 33.92 ? 140 SER A O 1 ATOM 629 C CB . SER A 1 78 ? 63.718 -3.706 65.429 1.00 40.77 ? 140 SER A CB 1 ATOM 630 O OG . SER A 1 78 ? 62.819 -4.812 65.537 1.00 39.41 ? 140 SER A OG 1 ATOM 631 N N . GLN A 1 79 ? 65.333 -6.405 64.304 1.00 37.17 ? 141 GLN A N 1 ATOM 632 C CA . GLN A 1 79 ? 65.125 -7.403 63.267 1.00 38.27 ? 141 GLN A CA 1 ATOM 633 C C . GLN A 1 79 ? 63.635 -7.480 62.927 1.00 36.55 ? 141 GLN A C 1 ATOM 634 O O . GLN A 1 79 ? 62.778 -7.063 63.695 1.00 34.17 ? 141 GLN A O 1 ATOM 635 C CB . GLN A 1 79 ? 65.652 -8.753 63.749 1.00 38.45 ? 141 GLN A CB 1 ATOM 636 C CG . GLN A 1 79 ? 65.664 -9.877 62.729 1.00 41.13 ? 141 GLN A CG 1 ATOM 637 C CD . GLN A 1 79 ? 66.365 -9.510 61.418 1.00 40.12 ? 141 GLN A CD 1 ATOM 638 O OE1 . GLN A 1 79 ? 65.809 -8.828 60.537 1.00 39.48 ? 141 GLN A OE1 1 ATOM 639 N NE2 . GLN A 1 79 ? 67.589 -9.977 61.280 1.00 41.10 ? 141 GLN A NE2 1 ATOM 640 N N . VAL A 1 80 ? 63.331 -7.973 61.738 1.00 33.93 ? 142 VAL A N 1 ATOM 641 C CA . VAL A 1 80 ? 61.961 -8.087 61.297 1.00 35.52 ? 142 VAL A CA 1 ATOM 642 C C . VAL A 1 80 ? 61.743 -9.529 60.778 1.00 35.76 ? 142 VAL A C 1 ATOM 643 O O . VAL A 1 80 ? 62.658 -10.117 60.165 1.00 35.65 ? 142 VAL A O 1 ATOM 644 C CB . VAL A 1 80 ? 61.657 -6.990 60.250 1.00 35.78 ? 142 VAL A CB 1 ATOM 645 C CG1 . VAL A 1 80 ? 62.356 -7.265 58.929 1.00 36.44 ? 142 VAL A CG1 1 ATOM 646 C CG2 . VAL A 1 80 ? 60.178 -6.836 60.041 1.00 43.14 ? 142 VAL A CG2 1 ATOM 647 N N . PRO A 1 81 ? 60.561 -10.129 61.050 1.00 34.09 ? 143 PRO A N 1 ATOM 648 C CA . PRO A 1 81 ? 60.331 -11.422 60.426 1.00 35.68 ? 143 PRO A CA 1 ATOM 649 C C . PRO A 1 81 ? 60.088 -11.299 58.930 1.00 32.75 ? 143 PRO A C 1 ATOM 650 O O . PRO A 1 81 ? 59.707 -10.245 58.436 1.00 30.44 ? 143 PRO A O 1 ATOM 651 C CB . PRO A 1 81 ? 59.077 -11.958 61.119 1.00 36.86 ? 143 PRO A CB 1 ATOM 652 C CG . PRO A 1 81 ? 58.810 -11.050 62.270 1.00 37.00 ? 143 PRO A CG 1 ATOM 653 C CD . PRO A 1 81 ? 59.436 -9.733 61.914 1.00 34.17 ? 143 PRO A CD 1 ATOM 654 N N . GLU A 1 82 ? 60.326 -12.396 58.220 1.00 33.36 ? 144 GLU A N 1 ATOM 655 C CA . GLU A 1 82 ? 60.005 -12.472 56.800 1.00 36.45 ? 144 GLU A CA 1 ATOM 656 C C . GLU A 1 82 ? 58.505 -12.554 56.614 1.00 33.38 ? 144 GLU A C 1 ATOM 657 O O . GLU A 1 82 ? 57.792 -13.092 57.449 1.00 35.36 ? 144 GLU A O 1 ATOM 658 C CB . GLU A 1 82 ? 60.605 -13.727 56.173 1.00 37.95 ? 144 GLU A CB 1 ATOM 659 C CG . GLU A 1 82 ? 62.102 -13.610 56.007 1.00 42.29 ? 144 GLU A CG 1 ATOM 660 C CD . GLU A 1 82 ? 62.738 -14.818 55.378 1.00 50.85 ? 144 GLU A CD 1 ATOM 661 O OE1 . GLU A 1 82 ? 62.235 -15.959 55.488 1.00 52.07 ? 144 GLU A OE1 1 ATOM 662 O OE2 . GLU A 1 82 ? 63.789 -14.593 54.764 1.00 62.52 ? 144 GLU A OE2 1 ATOM 663 N N . ILE A 1 83 ? 58.044 -12.041 55.489 1.00 32.50 ? 145 ILE A N 1 ATOM 664 C CA . ILE A 1 83 ? 56.643 -12.144 55.149 1.00 34.11 ? 145 ILE A CA 1 ATOM 665 C C . ILE A 1 83 ? 56.384 -13.532 54.574 1.00 32.92 ? 145 ILE A C 1 ATOM 666 O O . ILE A 1 83 ? 57.156 -14.013 53.733 1.00 33.27 ? 145 ILE A O 1 ATOM 667 C CB . ILE A 1 83 ? 56.291 -11.068 54.130 1.00 33.48 ? 145 ILE A CB 1 ATOM 668 C CG1 . ILE A 1 83 ? 56.462 -9.688 54.774 1.00 33.04 ? 145 ILE A CG1 1 ATOM 669 C CG2 . ILE A 1 83 ? 54.880 -11.262 53.570 1.00 33.37 ? 145 ILE A CG2 1 ATOM 670 C CD1 . ILE A 1 83 ? 56.250 -8.546 53.779 1.00 33.71 ? 145 ILE A CD1 1 ATOM 671 N N . ASP A 1 84 ? 55.289 -14.156 55.002 1.00 33.87 ? 146 ASP A N 1 ATOM 672 C CA . ASP A 1 84 ? 54.837 -15.384 54.367 1.00 35.83 ? 146 ASP A CA 1 ATOM 673 C C . ASP A 1 84 ? 54.005 -15.067 53.121 1.00 34.06 ? 146 ASP A C 1 ATOM 674 O O . ASP A 1 84 ? 54.324 -15.500 52.027 1.00 36.03 ? 146 ASP A O 1 ATOM 675 C CB . ASP A 1 84 ? 54.007 -16.216 55.335 1.00 36.37 ? 146 ASP A CB 1 ATOM 676 C CG . ASP A 1 84 ? 53.576 -17.492 54.724 1.00 40.88 ? 146 ASP A CG 1 ATOM 677 O OD1 . ASP A 1 84 ? 54.448 -18.278 54.422 1.00 44.07 ? 146 ASP A OD1 1 ATOM 678 O OD2 . ASP A 1 84 ? 52.394 -17.704 54.487 1.00 47.80 ? 146 ASP A OD2 1 ATOM 679 N N . ARG A 1 85 ? 52.949 -14.300 53.315 1.00 34.22 ? 147 ARG A N 1 ATOM 680 C CA . ARG A 1 85 ? 52.096 -13.837 52.240 1.00 33.47 ? 147 ARG A CA 1 ATOM 681 C C . ARG A 1 85 ? 51.264 -12.660 52.704 1.00 33.38 ? 147 ARG A C 1 ATOM 682 O O . ARG A 1 85 ? 51.052 -12.442 53.932 1.00 33.14 ? 147 ARG A O 1 ATOM 683 C CB . ARG A 1 85 ? 51.176 -14.956 51.722 1.00 36.32 ? 147 ARG A CB 1 ATOM 684 C CG . ARG A 1 85 ? 50.068 -15.375 52.697 1.00 39.37 ? 147 ARG A CG 1 ATOM 685 C CD . ARG A 1 85 ? 49.434 -16.737 52.388 1.00 41.99 ? 147 ARG A CD 1 ATOM 686 N NE . ARG A 1 85 ? 48.349 -17.011 53.364 1.00 43.05 ? 147 ARG A NE 1 ATOM 687 C CZ . ARG A 1 85 ? 48.508 -17.429 54.629 1.00 47.59 ? 147 ARG A CZ 1 ATOM 688 N NH1 . ARG A 1 85 ? 49.718 -17.700 55.163 1.00 46.78 ? 147 ARG A NH1 1 ATOM 689 N NH2 . ARG A 1 85 ? 47.425 -17.603 55.381 1.00 54.48 ? 147 ARG A NH2 1 ATOM 690 N N . THR A 1 86 ? 50.792 -11.900 51.714 1.00 30.04 ? 148 THR A N 1 ATOM 691 C CA . THR A 1 86 ? 49.836 -10.826 51.949 1.00 31.21 ? 148 THR A CA 1 ATOM 692 C C . THR A 1 86 ? 48.549 -11.143 51.200 1.00 32.48 ? 148 THR A C 1 ATOM 693 O O . THR A 1 86 ? 48.599 -11.632 50.084 1.00 33.25 ? 148 THR A O 1 ATOM 694 C CB . THR A 1 86 ? 50.388 -9.488 51.451 1.00 29.52 ? 148 THR A CB 1 ATOM 695 O OG1 . THR A 1 86 ? 50.916 -9.620 50.101 1.00 30.02 ? 148 THR A OG1 1 ATOM 696 C CG2 . THR A 1 86 ? 51.481 -8.999 52.357 1.00 32.35 ? 148 THR A CG2 1 ATOM 697 N N . GLU A 1 87 ? 47.407 -10.858 51.802 1.00 31.83 ? 149 GLU A N 1 ATOM 698 C CA . GLU A 1 87 ? 46.128 -11.057 51.153 1.00 33.73 ? 149 GLU A CA 1 ATOM 699 C C . GLU A 1 87 ? 45.183 -9.905 51.526 1.00 31.57 ? 149 GLU A C 1 ATOM 700 O O . GLU A 1 87 ? 45.327 -9.263 52.557 1.00 31.13 ? 149 GLU A O 1 ATOM 701 C CB . GLU A 1 87 ? 45.517 -12.413 51.521 1.00 37.63 ? 149 GLU A CB 1 ATOM 702 C CG . GLU A 1 87 ? 45.153 -12.498 52.984 1.00 39.38 ? 149 GLU A CG 1 ATOM 703 C CD . GLU A 1 87 ? 44.424 -13.771 53.418 1.00 41.67 ? 149 GLU A CD 1 ATOM 704 O OE1 . GLU A 1 87 ? 43.519 -14.239 52.702 1.00 46.96 ? 149 GLU A OE1 1 ATOM 705 O OE2 . GLU A 1 87 ? 44.745 -14.241 54.517 1.00 39.92 ? 149 GLU A OE2 1 ATOM 706 N N . LEU A 1 88 ? 44.221 -9.650 50.670 1.00 30.13 ? 150 LEU A N 1 ATOM 707 C CA . LEU A 1 88 ? 43.164 -8.688 50.975 1.00 30.24 ? 150 LEU A CA 1 ATOM 708 C C . LEU A 1 88 ? 41.894 -9.433 51.353 1.00 31.29 ? 150 LEU A C 1 ATOM 709 O O . LEU A 1 88 ? 41.487 -10.320 50.629 1.00 32.20 ? 150 LEU A O 1 ATOM 710 C CB . LEU A 1 88 ? 42.923 -7.814 49.751 1.00 29.49 ? 150 LEU A CB 1 ATOM 711 C CG . LEU A 1 88 ? 44.113 -6.890 49.420 1.00 30.22 ? 150 LEU A CG 1 ATOM 712 C CD1 . LEU A 1 88 ? 44.020 -6.362 47.977 1.00 30.62 ? 150 LEU A CD1 1 ATOM 713 C CD2 . LEU A 1 88 ? 44.197 -5.744 50.417 1.00 31.04 ? 150 LEU A CD2 1 ATOM 714 N N . VAL A 1 89 ? 41.262 -9.043 52.460 1.00 31.92 ? 151 VAL A N 1 ATOM 715 C CA . VAL A 1 89 ? 39.987 -9.636 52.890 1.00 31.47 ? 151 VAL A CA 1 ATOM 716 C C . VAL A 1 89 ? 38.922 -8.550 52.723 1.00 28.81 ? 151 VAL A C 1 ATOM 717 O O . VAL A 1 89 ? 38.879 -7.570 53.494 1.00 29.52 ? 151 VAL A O 1 ATOM 718 C CB . VAL A 1 89 ? 40.103 -10.126 54.350 1.00 32.66 ? 151 VAL A CB 1 ATOM 719 C CG1 . VAL A 1 89 ? 38.776 -10.708 54.831 1.00 32.89 ? 151 VAL A CG1 1 ATOM 720 C CG2 . VAL A 1 89 ? 41.234 -11.168 54.449 1.00 33.05 ? 151 VAL A CG2 1 ATOM 721 N N . GLU A 1 90 ? 38.093 -8.700 51.691 1.00 31.29 ? 152 GLU A N 1 ATOM 722 C CA . GLU A 1 90 ? 37.228 -7.616 51.297 1.00 32.48 ? 152 GLU A CA 1 ATOM 723 C C . GLU A 1 90 ? 36.157 -7.289 52.320 1.00 31.34 ? 152 GLU A C 1 ATOM 724 O O . GLU A 1 90 ? 35.890 -6.117 52.562 1.00 31.25 ? 152 GLU A O 1 ATOM 725 C CB . GLU A 1 90 ? 36.635 -7.878 49.902 1.00 36.96 ? 152 GLU A CB 1 ATOM 726 C CG . GLU A 1 90 ? 37.731 -7.736 48.834 1.00 37.06 ? 152 GLU A CG 1 ATOM 727 C CD . GLU A 1 90 ? 37.207 -7.788 47.424 1.00 42.65 ? 152 GLU A CD 1 ATOM 728 O OE1 . GLU A 1 90 ? 36.051 -8.197 47.226 1.00 45.49 ? 152 GLU A OE1 1 ATOM 729 O OE2 . GLU A 1 90 ? 37.963 -7.395 46.514 1.00 41.68 ? 152 GLU A OE2 1 ATOM 730 N N . LEU A 1 91 ? 35.589 -8.309 52.953 1.00 31.74 ? 153 LEU A N 1 ATOM 731 C CA . LEU A 1 91 ? 34.410 -8.135 53.801 1.00 33.72 ? 153 LEU A CA 1 ATOM 732 C C . LEU A 1 91 ? 34.705 -7.166 54.968 1.00 31.64 ? 153 LEU A C 1 ATOM 733 O O . LEU A 1 91 ? 33.958 -6.214 55.267 1.00 31.86 ? 153 LEU A O 1 ATOM 734 C CB . LEU A 1 91 ? 33.985 -9.517 54.344 1.00 34.52 ? 153 LEU A CB 1 ATOM 735 C CG . LEU A 1 91 ? 32.731 -9.487 55.202 1.00 36.95 ? 153 LEU A CG 1 ATOM 736 C CD1 . LEU A 1 91 ? 31.573 -8.923 54.386 1.00 39.84 ? 153 LEU A CD1 1 ATOM 737 C CD2 . LEU A 1 91 ? 32.366 -10.857 55.782 1.00 40.03 ? 153 LEU A CD2 1 ATOM 738 N N . THR A 1 92 ? 35.813 -7.441 55.634 1.00 28.58 ? 154 THR A N 1 ATOM 739 C CA . THR A 1 92 ? 36.243 -6.661 56.777 1.00 28.62 ? 154 THR A CA 1 ATOM 740 C C . THR A 1 92 ? 37.226 -5.576 56.377 1.00 27.19 ? 154 THR A C 1 ATOM 741 O O . THR A 1 92 ? 37.791 -4.865 57.233 1.00 27.73 ? 154 THR A O 1 ATOM 742 C CB . THR A 1 92 ? 36.872 -7.587 57.853 1.00 29.65 ? 154 THR A CB 1 ATOM 743 O OG1 . THR A 1 92 ? 37.736 -8.533 57.215 1.00 31.68 ? 154 THR A OG1 1 ATOM 744 C CG2 . THR A 1 92 ? 35.807 -8.366 58.598 1.00 29.22 ? 154 THR A CG2 1 ATOM 745 N N . GLU A 1 93 ? 37.407 -5.394 55.077 1.00 27.14 ? 155 GLU A N 1 ATOM 746 C CA . GLU A 1 93 ? 38.225 -4.291 54.548 1.00 27.07 ? 155 GLU A CA 1 ATOM 747 C C . GLU A 1 93 ? 39.651 -4.255 55.094 1.00 25.78 ? 155 GLU A C 1 ATOM 748 O O . GLU A 1 93 ? 40.164 -3.212 55.534 1.00 25.47 ? 155 GLU A O 1 ATOM 749 C CB . GLU A 1 93 ? 37.499 -2.948 54.696 1.00 26.76 ? 155 GLU A CB 1 ATOM 750 C CG . GLU A 1 93 ? 36.148 -2.982 53.974 1.00 30.01 ? 155 GLU A CG 1 ATOM 751 C CD . GLU A 1 93 ? 35.271 -1.747 54.219 1.00 28.17 ? 155 GLU A CD 1 ATOM 752 O OE1 . GLU A 1 93 ? 35.613 -0.902 55.066 1.00 26.61 ? 155 GLU A OE1 1 ATOM 753 O OE2 . GLU A 1 93 ? 34.248 -1.608 53.512 1.00 31.71 ? 155 GLU A OE2 1 ATOM 754 N N . TYR A 1 94 ? 40.312 -5.406 55.027 1.00 26.66 ? 156 TYR A N 1 ATOM 755 C CA . TYR A 1 94 ? 41.660 -5.515 55.551 1.00 27.70 ? 156 TYR A CA 1 ATOM 756 C C . TYR A 1 94 ? 42.670 -5.905 54.471 1.00 26.90 ? 156 TYR A C 1 ATOM 757 O O . TYR A 1 94 ? 42.356 -6.645 53.527 1.00 27.46 ? 156 TYR A O 1 ATOM 758 C CB . TYR A 1 94 ? 41.748 -6.608 56.605 1.00 27.57 ? 156 TYR A CB 1 ATOM 759 C CG . TYR A 1 94 ? 41.051 -6.338 57.934 1.00 26.88 ? 156 TYR A CG 1 ATOM 760 C CD1 . TYR A 1 94 ? 41.075 -5.082 58.519 1.00 27.17 ? 156 TYR A CD1 1 ATOM 761 C CD2 . TYR A 1 94 ? 40.466 -7.368 58.622 1.00 27.81 ? 156 TYR A CD2 1 ATOM 762 C CE1 . TYR A 1 94 ? 40.479 -4.842 59.773 1.00 26.30 ? 156 TYR A CE1 1 ATOM 763 C CE2 . TYR A 1 94 ? 39.871 -7.148 59.857 1.00 29.77 ? 156 TYR A CE2 1 ATOM 764 C CZ . TYR A 1 94 ? 39.878 -5.896 60.441 1.00 28.16 ? 156 TYR A CZ 1 ATOM 765 O OH . TYR A 1 94 ? 39.301 -5.705 61.694 1.00 27.88 ? 156 TYR A OH 1 ATOM 766 N N . LEU A 1 95 ? 43.885 -5.405 54.681 1.00 26.64 ? 157 LEU A N 1 ATOM 767 C CA . LEU A 1 95 ? 45.114 -5.968 54.129 1.00 26.72 ? 157 LEU A CA 1 ATOM 768 C C . LEU A 1 95 ? 45.757 -6.758 55.273 1.00 26.41 ? 157 LEU A C 1 ATOM 769 O O . LEU A 1 95 ? 45.909 -6.245 56.382 1.00 24.88 ? 157 LEU A O 1 ATOM 770 C CB . LEU A 1 95 ? 46.038 -4.826 53.638 1.00 25.86 ? 157 LEU A CB 1 ATOM 771 C CG . LEU A 1 95 ? 47.541 -5.096 53.459 1.00 26.90 ? 157 LEU A CG 1 ATOM 772 C CD1 . LEU A 1 95 ? 47.710 -6.126 52.347 1.00 27.31 ? 157 LEU A CD1 1 ATOM 773 C CD2 . LEU A 1 95 ? 48.303 -3.802 53.121 1.00 26.46 ? 157 LEU A CD2 1 ATOM 774 N N . VAL A 1 96 ? 46.042 -8.034 55.005 1.00 29.43 ? 158 VAL A N 1 ATOM 775 C CA . VAL A 1 96 ? 46.543 -8.983 55.984 1.00 29.23 ? 158 VAL A CA 1 ATOM 776 C C . VAL A 1 96 ? 47.943 -9.472 55.558 1.00 31.95 ? 158 VAL A C 1 ATOM 777 O O . VAL A 1 96 ? 48.127 -10.051 54.475 1.00 30.89 ? 158 VAL A O 1 ATOM 778 C CB . VAL A 1 96 ? 45.574 -10.182 56.149 1.00 29.38 ? 158 VAL A CB 1 ATOM 779 C CG1 . VAL A 1 96 ? 46.002 -11.061 57.306 1.00 30.00 ? 158 VAL A CG1 1 ATOM 780 C CG2 . VAL A 1 96 ? 44.154 -9.681 56.393 1.00 30.79 ? 158 VAL A CG2 1 ATOM 781 N N . VAL A 1 97 ? 48.917 -9.214 56.433 1.00 28.47 ? 159 VAL A N 1 ATOM 782 C CA . VAL A 1 97 ? 50.283 -9.582 56.221 1.00 30.90 ? 159 VAL A CA 1 ATOM 783 C C . VAL A 1 97 ? 50.644 -10.707 57.213 1.00 30.19 ? 159 VAL A C 1 ATOM 784 O O . VAL A 1 97 ? 50.845 -10.472 58.431 1.00 30.44 ? 159 VAL A O 1 ATOM 785 C CB . VAL A 1 97 ? 51.230 -8.401 56.469 1.00 30.19 ? 159 VAL A CB 1 ATOM 786 C CG1 . VAL A 1 97 ? 52.644 -8.775 56.032 1.00 29.53 ? 159 VAL A CG1 1 ATOM 787 C CG2 . VAL A 1 97 ? 50.736 -7.109 55.818 1.00 29.84 ? 159 VAL A CG2 1 ATOM 788 N N . HIS A 1 98 ? 50.692 -11.917 56.689 1.00 29.45 ? 160 HIS A N 1 ATOM 789 C CA . HIS A 1 98 ? 51.046 -13.108 57.440 1.00 33.31 ? 160 HIS A CA 1 ATOM 790 C C . HIS A 1 98 ? 52.541 -13.217 57.483 1.00 33.59 ? 160 HIS A C 1 ATOM 791 O O . HIS A 1 98 ? 53.185 -13.206 56.438 1.00 33.46 ? 160 HIS A O 1 ATOM 792 C CB . HIS A 1 98 ? 50.458 -14.355 56.776 1.00 32.91 ? 160 HIS A CB 1 ATOM 793 C CG . HIS A 1 98 ? 48.965 -14.339 56.699 1.00 35.73 ? 160 HIS A CG 1 ATOM 794 N ND1 . HIS A 1 98 ? 48.164 -14.663 57.775 1.00 33.49 ? 160 HIS A ND1 1 ATOM 795 C CD2 . HIS A 1 98 ? 48.127 -14.016 55.684 1.00 35.10 ? 160 HIS A CD2 1 ATOM 796 C CE1 . HIS A 1 98 ? 46.896 -14.566 57.415 1.00 38.00 ? 160 HIS A CE1 1 ATOM 797 N NE2 . HIS A 1 98 ? 46.846 -14.178 56.148 1.00 35.08 ? 160 HIS A NE2 1 ATOM 798 N N . LEU A 1 99 ? 53.086 -13.321 58.691 1.00 33.17 ? 161 LEU A N 1 ATOM 799 C CA . LEU A 1 99 ? 54.526 -13.382 58.905 1.00 35.18 ? 161 LEU A CA 1 ATOM 800 C C . LEU A 1 99 ? 55.026 -14.775 59.253 1.00 36.81 ? 161 LEU A C 1 ATOM 801 O O . LEU A 1 99 ? 54.280 -15.610 59.770 1.00 37.77 ? 161 LEU A O 1 ATOM 802 C CB . LEU A 1 99 ? 54.947 -12.424 59.994 1.00 32.09 ? 161 LEU A CB 1 ATOM 803 C CG . LEU A 1 99 ? 54.403 -11.012 59.819 1.00 32.07 ? 161 LEU A CG 1 ATOM 804 C CD1 . LEU A 1 99 ? 54.775 -10.199 61.025 1.00 30.71 ? 161 LEU A CD1 1 ATOM 805 C CD2 . LEU A 1 99 ? 54.957 -10.360 58.553 1.00 30.50 ? 161 LEU A CD2 1 ATOM 806 N N . LYS A 1 100 ? 56.304 -14.998 58.977 1.00 36.07 ? 162 LYS A N 1 ATOM 807 C CA . LYS A 1 100 ? 56.956 -16.280 59.276 1.00 37.79 ? 162 LYS A CA 1 ATOM 808 C C . LYS A 1 100 ? 57.447 -16.364 60.709 1.00 40.11 ? 162 LYS A C 1 ATOM 809 O O . LYS A 1 100 ? 57.943 -17.382 61.094 1.00 39.89 ? 162 LYS A O 1 ATOM 810 C CB . LYS A 1 100 ? 58.162 -16.526 58.345 1.00 39.41 ? 162 LYS A CB 1 ATOM 811 C CG . LYS A 1 100 ? 57.780 -16.782 56.901 1.00 40.65 ? 162 LYS A CG 1 ATOM 812 C CD . LYS A 1 100 ? 58.793 -17.732 56.244 1.00 47.13 ? 162 LYS A CD 1 ATOM 813 C CE . LYS A 1 100 ? 58.933 -17.422 54.782 1.00 51.36 ? 162 LYS A CE 1 ATOM 814 N NZ . LYS A 1 100 ? 57.879 -18.135 54.033 1.00 59.83 ? 162 LYS A NZ 1 ATOM 815 N N . GLY A 1 101 ? 57.335 -15.300 61.484 1.00 38.81 ? 163 GLY A N 1 ATOM 816 C CA . GLY A 1 101 ? 57.679 -15.325 62.906 1.00 35.75 ? 163 GLY A CA 1 ATOM 817 C C . GLY A 1 101 ? 56.960 -14.142 63.560 1.00 39.80 ? 163 GLY A C 1 ATOM 818 O O . GLY A 1 101 ? 56.213 -13.399 62.897 1.00 38.17 ? 163 GLY A O 1 ATOM 819 N N . SER A 1 102 ? 57.176 -13.936 64.858 1.00 38.31 ? 164 SER A N 1 ATOM 820 C CA . SER A 1 102 ? 56.405 -12.932 65.575 1.00 37.23 ? 164 SER A CA 1 ATOM 821 C C . SER A 1 102 ? 57.125 -11.612 65.686 1.00 36.62 ? 164 SER A C 1 ATOM 822 O O . SER A 1 102 ? 58.340 -11.568 65.858 1.00 36.79 ? 164 SER A O 1 ATOM 823 C CB . SER A 1 102 ? 56.065 -13.443 66.969 1.00 40.53 ? 164 SER A CB 1 ATOM 824 O OG . SER A 1 102 ? 55.213 -14.540 66.809 1.00 40.78 ? 164 SER A OG 1 ATOM 825 N N . LEU A 1 103 ? 56.356 -10.539 65.620 1.00 33.75 ? 165 LEU A N 1 ATOM 826 C CA . LEU A 1 103 ? 56.832 -9.225 66.036 1.00 33.74 ? 165 LEU A CA 1 ATOM 827 C C . LEU A 1 103 ? 57.054 -9.227 67.551 1.00 34.90 ? 165 LEU A C 1 ATOM 828 O O . LEU A 1 103 ? 56.439 -10.016 68.268 1.00 34.44 ? 165 LEU A O 1 ATOM 829 C CB . LEU A 1 103 ? 55.843 -8.135 65.605 1.00 31.57 ? 165 LEU A CB 1 ATOM 830 C CG . LEU A 1 103 ? 55.538 -8.099 64.093 1.00 31.00 ? 165 LEU A CG 1 ATOM 831 C CD1 . LEU A 1 103 ? 54.408 -7.132 63.761 1.00 29.87 ? 165 LEU A CD1 1 ATOM 832 C CD2 . LEU A 1 103 ? 56.784 -7.702 63.317 1.00 30.36 ? 165 LEU A CD2 1 ATOM 833 N N . GLN A 1 104 ? 57.923 -8.348 68.033 1.00 34.19 ? 166 GLN A N 1 ATOM 834 C CA . GLN A 1 104 ? 58.278 -8.336 69.459 1.00 35.61 ? 166 GLN A CA 1 ATOM 835 C C . GLN A 1 104 ? 57.832 -7.083 70.194 1.00 34.73 ? 166 GLN A C 1 ATOM 836 O O . GLN A 1 104 ? 58.075 -5.985 69.729 1.00 33.38 ? 166 GLN A O 1 ATOM 837 C CB . GLN A 1 104 ? 59.772 -8.485 69.597 1.00 38.95 ? 166 GLN A CB 1 ATOM 838 C CG . GLN A 1 104 ? 60.208 -9.870 69.168 1.00 44.13 ? 166 GLN A CG 1 ATOM 839 C CD . GLN A 1 104 ? 59.655 -10.944 70.078 1.00 49.22 ? 166 GLN A CD 1 ATOM 840 O OE1 . GLN A 1 104 ? 59.969 -10.978 71.257 1.00 44.52 ? 166 GLN A OE1 1 ATOM 841 N NE2 . GLN A 1 104 ? 58.824 -11.825 69.533 1.00 54.81 ? 166 GLN A NE2 1 ATOM 842 N N . PRO A 1 105 ? 57.212 -7.256 71.364 1.00 35.49 ? 167 PRO A N 1 ATOM 843 C CA . PRO A 1 105 ? 56.708 -6.098 72.117 1.00 35.67 ? 167 PRO A CA 1 ATOM 844 C C . PRO A 1 105 ? 57.789 -5.043 72.373 1.00 36.95 ? 167 PRO A C 1 ATOM 845 O O . PRO A 1 105 ? 58.912 -5.368 72.732 1.00 34.74 ? 167 PRO A O 1 ATOM 846 C CB . PRO A 1 105 ? 56.269 -6.694 73.465 1.00 37.84 ? 167 PRO A CB 1 ATOM 847 C CG . PRO A 1 105 ? 56.282 -8.163 73.310 1.00 40.37 ? 167 PRO A CG 1 ATOM 848 C CD . PRO A 1 105 ? 56.994 -8.547 72.048 1.00 37.79 ? 167 PRO A CD 1 ATOM 849 N N . GLY A 1 106 ? 57.457 -3.786 72.195 1.00 33.39 ? 168 GLY A N 1 ATOM 850 C CA . GLY A 1 106 ? 58.399 -2.715 72.490 1.00 35.41 ? 168 GLY A CA 1 ATOM 851 C C . GLY A 1 106 ? 59.138 -2.317 71.219 1.00 37.69 ? 168 GLY A C 1 ATOM 852 O O . GLY A 1 106 ? 59.707 -1.242 71.154 1.00 34.34 ? 168 GLY A O 1 ATOM 853 N N . HIS A 1 107 ? 59.157 -3.198 70.217 1.00 33.22 ? 169 HIS A N 1 ATOM 854 C CA . HIS A 1 107 ? 59.802 -2.871 68.940 1.00 35.05 ? 169 HIS A CA 1 ATOM 855 C C . HIS A 1 107 ? 58.895 -2.102 67.975 1.00 33.56 ? 169 HIS A C 1 ATOM 856 O O . HIS A 1 107 ? 57.676 -2.301 67.922 1.00 30.25 ? 169 HIS A O 1 ATOM 857 C CB . HIS A 1 107 ? 60.276 -4.130 68.245 1.00 32.76 ? 169 HIS A CB 1 ATOM 858 C CG . HIS A 1 107 ? 61.364 -4.833 68.968 1.00 37.98 ? 169 HIS A CG 1 ATOM 859 N ND1 . HIS A 1 107 ? 62.510 -5.262 68.333 1.00 37.40 ? 169 HIS A ND1 1 ATOM 860 C CD2 . HIS A 1 107 ? 61.469 -5.224 70.261 1.00 35.45 ? 169 HIS A CD2 1 ATOM 861 C CE1 . HIS A 1 107 ? 63.295 -5.855 69.215 1.00 40.40 ? 169 HIS A CE1 1 ATOM 862 N NE2 . HIS A 1 107 ? 62.684 -5.852 70.390 1.00 38.90 ? 169 HIS A NE2 1 ATOM 863 N N . MET A 1 108 ? 59.526 -1.220 67.205 1.00 32.67 ? 170 MET A N 1 ATOM 864 C CA . MET A 1 108 ? 58.848 -0.473 66.168 1.00 31.38 ? 170 MET A CA 1 ATOM 865 C C . MET A 1 108 ? 59.194 -1.007 64.769 1.00 31.41 ? 170 MET A C 1 ATOM 866 O O . MET A 1 108 ? 60.328 -1.433 64.530 1.00 30.21 ? 170 MET A O 1 ATOM 867 C CB . MET A 1 108 ? 59.213 1.027 66.271 1.00 34.78 ? 170 MET A CB 1 ATOM 868 C CG . MET A 1 108 ? 58.796 1.731 67.586 1.00 42.53 ? 170 MET A CG 1 ATOM 869 S SD . MET A 1 108 ? 58.169 3.436 67.319 1.00 47.73 ? 170 MET A SD 1 ATOM 870 C CE . MET A 1 108 ? 56.556 2.970 66.733 1.00 47.75 ? 170 MET A CE 1 ATOM 871 N N . TYR A 1 109 ? 58.228 -0.942 63.856 1.00 30.40 ? 171 TYR A N 1 ATOM 872 C CA . TYR A 1 109 ? 58.361 -1.481 62.505 1.00 29.71 ? 171 TYR A CA 1 ATOM 873 C C . TYR A 1 109 ? 57.854 -0.453 61.526 1.00 29.20 ? 171 TYR A C 1 ATOM 874 O O . TYR A 1 109 ? 57.017 0.355 61.869 1.00 27.50 ? 171 TYR A O 1 ATOM 875 C CB . TYR A 1 109 ? 57.578 -2.788 62.365 1.00 28.86 ? 171 TYR A CB 1 ATOM 876 C CG . TYR A 1 109 ? 58.060 -3.810 63.360 1.00 30.50 ? 171 TYR A CG 1 ATOM 877 C CD1 . TYR A 1 109 ? 59.152 -4.607 63.079 1.00 29.86 ? 171 TYR A CD1 1 ATOM 878 C CD2 . TYR A 1 109 ? 57.452 -3.926 64.616 1.00 31.48 ? 171 TYR A CD2 1 ATOM 879 C CE1 . TYR A 1 109 ? 59.634 -5.530 64.002 1.00 32.28 ? 171 TYR A CE1 1 ATOM 880 C CE2 . TYR A 1 109 ? 57.914 -4.819 65.555 1.00 33.44 ? 171 TYR A CE2 1 ATOM 881 C CZ . TYR A 1 109 ? 58.994 -5.633 65.246 1.00 33.57 ? 171 TYR A CZ 1 ATOM 882 O OH . TYR A 1 109 ? 59.450 -6.516 66.152 1.00 30.08 ? 171 TYR A OH 1 ATOM 883 N N . GLU A 1 110 ? 58.390 -0.493 60.310 1.00 29.69 ? 172 GLU A N 1 ATOM 884 C CA . GLU A 1 110 ? 57.897 0.341 59.187 1.00 29.82 ? 172 GLU A CA 1 ATOM 885 C C . GLU A 1 110 ? 57.416 -0.565 58.052 1.00 28.68 ? 172 GLU A C 1 ATOM 886 O O . GLU A 1 110 ? 58.104 -1.495 57.629 1.00 30.99 ? 172 GLU A O 1 ATOM 887 C CB . GLU A 1 110 ? 58.989 1.310 58.713 1.00 30.16 ? 172 GLU A CB 1 ATOM 888 C CG . GLU A 1 110 ? 59.183 2.415 59.747 1.00 35.22 ? 172 GLU A CG 1 ATOM 889 C CD . GLU A 1 110 ? 60.437 3.254 59.601 1.00 36.42 ? 172 GLU A CD 1 ATOM 890 O OE1 . GLU A 1 110 ? 60.520 4.291 60.347 1.00 37.73 ? 172 GLU A OE1 1 ATOM 891 O OE2 . GLU A 1 110 ? 61.313 2.898 58.789 1.00 33.78 ? 172 GLU A OE2 1 ATOM 892 N N . MET A 1 111 ? 56.205 -0.290 57.593 1.00 26.60 ? 173 MET A N 1 ATOM 893 C CA . MET A 1 111 ? 55.582 -1.043 56.525 1.00 27.60 ? 173 MET A CA 1 ATOM 894 C C . MET A 1 111 ? 55.277 -0.104 55.360 1.00 27.46 ? 173 MET A C 1 ATOM 895 O O . MET A 1 111 ? 54.548 0.892 55.519 1.00 25.47 ? 173 MET A O 1 ATOM 896 C CB . MET A 1 111 ? 54.313 -1.701 57.033 1.00 29.11 ? 173 MET A CB 1 ATOM 897 C CG . MET A 1 111 ? 53.670 -2.629 56.031 1.00 28.16 ? 173 MET A CG 1 ATOM 898 S SD . MET A 1 111 ? 52.415 -3.647 56.830 1.00 29.90 ? 173 MET A SD 1 ATOM 899 C CE . MET A 1 111 ? 51.118 -2.407 57.078 1.00 30.09 ? 173 MET A CE 1 ATOM 900 N N . GLU A 1 112 ? 55.881 -0.432 54.209 1.00 27.12 ? 174 GLU A N 1 ATOM 901 C CA . GLU A 1 112 ? 55.813 0.390 52.996 1.00 26.18 ? 174 GLU A CA 1 ATOM 902 C C . GLU A 1 112 ? 54.947 -0.288 51.958 1.00 24.69 ? 174 GLU A C 1 ATOM 903 O O . GLU A 1 112 ? 55.049 -1.510 51.748 1.00 26.90 ? 174 GLU A O 1 ATOM 904 C CB . GLU A 1 112 ? 57.215 0.573 52.405 1.00 27.74 ? 174 GLU A CB 1 ATOM 905 C CG . GLU A 1 112 ? 57.240 1.360 51.082 1.00 28.50 ? 174 GLU A CG 1 ATOM 906 C CD . GLU A 1 112 ? 58.659 1.658 50.612 1.00 41.41 ? 174 GLU A CD 1 ATOM 907 O OE1 . GLU A 1 112 ? 58.863 1.848 49.393 1.00 46.27 ? 174 GLU A OE1 1 ATOM 908 O OE2 . GLU A 1 112 ? 59.598 1.700 51.428 1.00 35.58 ? 174 GLU A OE2 1 ATOM 909 N N . SER A 1 113 ? 54.125 0.500 51.297 1.00 26.28 ? 175 SER A N 1 ATOM 910 C CA . SER A 1 113 ? 53.292 -0.001 50.211 1.00 25.73 ? 175 SER A CA 1 ATOM 911 C C . SER A 1 113 ? 53.206 1.025 49.065 1.00 26.12 ? 175 SER A C 1 ATOM 912 O O . SER A 1 113 ? 53.405 2.247 49.245 1.00 25.50 ? 175 SER A O 1 ATOM 913 C CB . SER A 1 113 ? 51.893 -0.352 50.744 1.00 26.97 ? 175 SER A CB 1 ATOM 914 O OG . SER A 1 113 ? 51.257 0.780 51.293 1.00 28.18 ? 175 SER A OG 1 ATOM 915 N N . GLU A 1 114 ? 52.870 0.503 47.904 1.00 26.41 ? 176 GLU A N 1 ATOM 916 C CA . GLU A 1 114 ? 52.574 1.301 46.700 1.00 27.11 ? 176 GLU A CA 1 ATOM 917 C C . GLU A 1 114 ? 51.282 0.782 46.139 1.00 25.71 ? 176 GLU A C 1 ATOM 918 O O . GLU A 1 114 ? 51.099 -0.423 46.073 1.00 27.06 ? 176 GLU A O 1 ATOM 919 C CB . GLU A 1 114 ? 53.661 1.087 45.661 1.00 33.29 ? 176 GLU A CB 1 ATOM 920 C CG . GLU A 1 114 ? 54.584 2.236 45.605 1.00 39.01 ? 176 GLU A CG 1 ATOM 921 C CD . GLU A 1 114 ? 55.703 2.125 44.590 1.00 46.34 ? 176 GLU A CD 1 ATOM 922 O OE1 . GLU A 1 114 ? 55.519 1.683 43.389 1.00 43.51 ? 176 GLU A OE1 1 ATOM 923 O OE2 . GLU A 1 114 ? 56.767 2.530 45.139 1.00 43.89 ? 176 GLU A OE2 1 ATOM 924 N N . PHE A 1 115 ? 50.392 1.681 45.743 1.00 25.59 ? 177 PHE A N 1 ATOM 925 C CA . PHE A 1 115 ? 49.003 1.295 45.455 1.00 27.44 ? 177 PHE A CA 1 ATOM 926 C C . PHE A 1 115 ? 48.330 2.287 44.521 1.00 25.91 ? 177 PHE A C 1 ATOM 927 O O . PHE A 1 115 ? 48.854 3.368 44.236 1.00 27.49 ? 177 PHE A O 1 ATOM 928 C CB . PHE A 1 115 ? 48.210 1.179 46.773 1.00 26.45 ? 177 PHE A CB 1 ATOM 929 C CG . PHE A 1 115 ? 48.411 2.346 47.690 1.00 26.38 ? 177 PHE A CG 1 ATOM 930 C CD1 . PHE A 1 115 ? 47.676 3.505 47.537 1.00 24.94 ? 177 PHE A CD1 1 ATOM 931 C CD2 . PHE A 1 115 ? 49.406 2.311 48.680 1.00 25.34 ? 177 PHE A CD2 1 ATOM 932 C CE1 . PHE A 1 115 ? 47.903 4.585 48.368 1.00 25.76 ? 177 PHE A CE1 1 ATOM 933 C CE2 . PHE A 1 115 ? 49.634 3.390 49.507 1.00 25.71 ? 177 PHE A CE2 1 ATOM 934 C CZ . PHE A 1 115 ? 48.890 4.530 49.356 1.00 24.99 ? 177 PHE A CZ 1 ATOM 935 N N . GLN A 1 116 ? 47.160 1.912 44.044 1.00 26.58 ? 178 GLN A N 1 ATOM 936 C CA . GLN A 1 116 ? 46.361 2.806 43.256 1.00 29.03 ? 178 GLN A CA 1 ATOM 937 C C . GLN A 1 116 ? 44.895 2.438 43.377 1.00 28.98 ? 178 GLN A C 1 ATOM 938 O O . GLN A 1 116 ? 44.554 1.284 43.697 1.00 30.10 ? 178 GLN A O 1 ATOM 939 C CB . GLN A 1 116 ? 46.817 2.824 41.794 1.00 29.78 ? 178 GLN A CB 1 ATOM 940 C CG . GLN A 1 116 ? 46.808 1.524 41.068 1.00 32.19 ? 178 GLN A CG 1 ATOM 941 C CD . GLN A 1 116 ? 47.503 1.684 39.730 1.00 39.09 ? 178 GLN A CD 1 ATOM 942 O OE1 . GLN A 1 116 ? 48.741 1.952 39.668 1.00 37.51 ? 178 GLN A OE1 1 ATOM 943 N NE2 . GLN A 1 116 ? 46.710 1.625 38.651 1.00 32.90 ? 178 GLN A NE2 1 ATOM 944 N N . GLY A 1 117 ? 44.047 3.441 43.187 1.00 27.14 ? 179 GLY A N 1 ATOM 945 C CA . GLY A 1 117 ? 42.609 3.242 43.231 1.00 29.55 ? 179 GLY A CA 1 ATOM 946 C C . GLY A 1 117 ? 41.935 4.155 42.241 1.00 28.69 ? 179 GLY A C 1 ATOM 947 O O . GLY A 1 117 ? 42.566 5.039 41.661 1.00 28.20 ? 179 GLY A O 1 ATOM 948 N N . GLU A 1 118 ? 40.650 3.929 42.037 1.00 30.16 ? 180 GLU A N 1 ATOM 949 C CA . GLU A 1 118 ? 39.875 4.794 41.198 1.00 29.29 ? 180 GLU A CA 1 ATOM 950 C C . GLU A 1 118 ? 39.682 6.130 41.921 1.00 27.64 ? 180 GLU A C 1 ATOM 951 O O . GLU A 1 118 ? 39.328 6.186 43.115 1.00 27.89 ? 180 GLU A O 1 ATOM 952 C CB . GLU A 1 118 ? 38.512 4.153 40.885 1.00 29.27 ? 180 GLU A CB 1 ATOM 953 C CG . GLU A 1 118 ? 37.765 4.968 39.845 1.00 30.34 ? 180 GLU A CG 1 ATOM 954 C CD . GLU A 1 118 ? 36.403 4.430 39.452 1.00 35.77 ? 180 GLU A CD 1 ATOM 955 O OE1 . GLU A 1 118 ? 36.037 3.310 39.861 1.00 35.47 ? 180 GLU A OE1 1 ATOM 956 O OE2 . GLU A 1 118 ? 35.709 5.176 38.713 1.00 35.11 ? 180 GLU A OE2 1 ATOM 957 N N . LEU A 1 119 ? 39.919 7.210 41.196 1.00 26.59 ? 181 LEU A N 1 ATOM 958 C CA . LEU A 1 119 ? 39.509 8.533 41.651 1.00 27.96 ? 181 LEU A CA 1 ATOM 959 C C . LEU A 1 119 ? 38.074 8.741 41.156 1.00 28.87 ? 181 LEU A C 1 ATOM 960 O O . LEU A 1 119 ? 37.828 9.455 40.159 1.00 28.38 ? 181 LEU A O 1 ATOM 961 C CB . LEU A 1 119 ? 40.464 9.580 41.085 1.00 28.02 ? 181 LEU A CB 1 ATOM 962 C CG . LEU A 1 119 ? 40.385 10.969 41.697 1.00 28.49 ? 181 LEU A CG 1 ATOM 963 C CD1 . LEU A 1 119 ? 40.954 11.052 43.134 1.00 28.41 ? 181 LEU A CD1 1 ATOM 964 C CD2 . LEU A 1 119 ? 41.081 12.007 40.832 1.00 27.15 ? 181 LEU A CD2 1 ATOM 965 N N . ALA A 1 120 ? 37.137 8.086 41.845 1.00 29.07 ? 182 ALA A N 1 ATOM 966 C CA . ALA A 1 120 ? 35.761 7.975 41.378 1.00 31.23 ? 182 ALA A CA 1 ATOM 967 C C . ALA A 1 120 ? 34.964 9.210 41.711 1.00 31.15 ? 182 ALA A C 1 ATOM 968 O O . ALA A 1 120 ? 35.370 10.002 42.559 1.00 30.31 ? 182 ALA A O 1 ATOM 969 C CB . ALA A 1 120 ? 35.093 6.746 41.995 1.00 33.21 ? 182 ALA A CB 1 ATOM 970 N N . ASP A 1 121 ? 33.813 9.372 41.064 1.00 33.13 ? 183 ASP A N 1 ATOM 971 C CA . ASP A 1 121 ? 32.947 10.478 41.425 1.00 35.63 ? 183 ASP A CA 1 ATOM 972 C C . ASP A 1 121 ? 31.922 9.986 42.441 1.00 35.58 ? 183 ASP A C 1 ATOM 973 O O . ASP A 1 121 ? 30.716 10.071 42.253 1.00 35.86 ? 183 ASP A O 1 ATOM 974 C CB . ASP A 1 121 ? 32.335 11.142 40.184 1.00 37.71 ? 183 ASP A CB 1 ATOM 975 C CG . ASP A 1 121 ? 31.360 10.293 39.483 1.00 43.06 ? 183 ASP A CG 1 ATOM 976 O OD1 . ASP A 1 121 ? 31.548 9.059 39.470 1.00 46.15 ? 183 ASP A OD1 1 ATOM 977 O OD2 . ASP A 1 121 ? 30.389 10.861 38.924 1.00 49.02 ? 183 ASP A OD2 1 ATOM 978 N N . ASP A 1 122 ? 32.445 9.478 43.543 1.00 32.02 ? 184 ASP A N 1 ATOM 979 C CA . ASP A 1 122 ? 31.630 8.743 44.506 1.00 34.35 ? 184 ASP A CA 1 ATOM 980 C C . ASP A 1 122 ? 31.623 9.407 45.880 1.00 31.56 ? 184 ASP A C 1 ATOM 981 O O . ASP A 1 122 ? 31.048 8.897 46.807 1.00 32.57 ? 184 ASP A O 1 ATOM 982 C CB . ASP A 1 122 ? 32.108 7.284 44.612 1.00 31.80 ? 184 ASP A CB 1 ATOM 983 C CG . ASP A 1 122 ? 33.533 7.149 45.162 1.00 31.09 ? 184 ASP A CG 1 ATOM 984 O OD1 . ASP A 1 122 ? 34.220 8.179 45.388 1.00 30.10 ? 184 ASP A OD1 1 ATOM 985 O OD2 . ASP A 1 122 ? 33.999 5.986 45.350 1.00 31.87 ? 184 ASP A OD2 1 ATOM 986 N N . LEU A 1 123 ? 32.296 10.543 46.016 1.00 29.84 ? 185 LEU A N 1 ATOM 987 C CA . LEU A 1 123 ? 32.304 11.294 47.272 1.00 32.29 ? 185 LEU A CA 1 ATOM 988 C C . LEU A 1 123 ? 32.838 10.560 48.482 1.00 31.48 ? 185 LEU A C 1 ATOM 989 O O . LEU A 1 123 ? 32.460 10.865 49.596 1.00 32.66 ? 185 LEU A O 1 ATOM 990 C CB . LEU A 1 123 ? 30.907 11.843 47.599 1.00 38.41 ? 185 LEU A CB 1 ATOM 991 C CG . LEU A 1 123 ? 30.461 12.892 46.601 1.00 42.29 ? 185 LEU A CG 1 ATOM 992 C CD1 . LEU A 1 123 ? 29.362 12.345 45.748 1.00 49.17 ? 185 LEU A CD1 1 ATOM 993 C CD2 . LEU A 1 123 ? 29.955 14.109 47.342 1.00 50.92 ? 185 LEU A CD2 1 ATOM 994 N N . ALA A 1 124 ? 33.742 9.616 48.263 1.00 29.56 ? 186 ALA A N 1 ATOM 995 C CA . ALA A 1 124 ? 34.247 8.770 49.322 1.00 28.73 ? 186 ALA A CA 1 ATOM 996 C C . ALA A 1 124 ? 35.750 8.533 49.127 1.00 28.78 ? 186 ALA A C 1 ATOM 997 O O . ALA A 1 124 ? 36.222 8.219 48.014 1.00 28.15 ? 186 ALA A O 1 ATOM 998 C CB . ALA A 1 124 ? 33.495 7.423 49.329 1.00 29.20 ? 186 ALA A CB 1 ATOM 999 N N . GLY A 1 125 ? 36.483 8.651 50.222 1.00 24.81 ? 187 GLY A N 1 ATOM 1000 C CA . GLY A 1 125 ? 37.953 8.550 50.215 1.00 24.78 ? 187 GLY A CA 1 ATOM 1001 C C . GLY A 1 125 ? 38.564 9.723 49.459 1.00 24.83 ? 187 GLY A C 1 ATOM 1002 O O . GLY A 1 125 ? 38.129 10.851 49.598 1.00 24.27 ? 187 GLY A O 1 ATOM 1003 N N . PHE A 1 126 ? 39.548 9.430 48.617 1.00 24.45 ? 188 PHE A N 1 ATOM 1004 C CA . PHE A 1 126 ? 40.116 10.410 47.658 1.00 25.26 ? 188 PHE A CA 1 ATOM 1005 C C . PHE A 1 126 ? 39.302 10.220 46.377 1.00 26.72 ? 188 PHE A C 1 ATOM 1006 O O . PHE A 1 126 ? 39.284 9.102 45.817 1.00 25.60 ? 188 PHE A O 1 ATOM 1007 C CB . PHE A 1 126 ? 41.578 10.056 47.430 1.00 24.96 ? 188 PHE A CB 1 ATOM 1008 C CG . PHE A 1 126 ? 42.436 11.140 46.817 1.00 24.89 ? 188 PHE A CG 1 ATOM 1009 C CD1 . PHE A 1 126 ? 42.174 12.466 46.985 1.00 24.68 ? 188 PHE A CD1 1 ATOM 1010 C CD2 . PHE A 1 126 ? 43.575 10.773 46.093 1.00 25.46 ? 188 PHE A CD2 1 ATOM 1011 C CE1 . PHE A 1 126 ? 43.010 13.435 46.475 1.00 25.50 ? 188 PHE A CE1 1 ATOM 1012 C CE2 . PHE A 1 126 ? 44.424 11.737 45.568 1.00 24.90 ? 188 PHE A CE2 1 ATOM 1013 C CZ . PHE A 1 126 ? 44.142 13.086 45.772 1.00 24.66 ? 188 PHE A CZ 1 ATOM 1014 N N . TYR A 1 127 ? 38.586 11.274 45.970 1.00 25.30 ? 189 TYR A N 1 ATOM 1015 C CA . TYR A 1 127 ? 37.588 11.172 44.912 1.00 27.19 ? 189 TYR A CA 1 ATOM 1016 C C . TYR A 1 127 ? 37.670 12.404 44.036 1.00 27.85 ? 189 TYR A C 1 ATOM 1017 O O . TYR A 1 127 ? 38.328 13.372 44.426 1.00 27.69 ? 189 TYR A O 1 ATOM 1018 C CB . TYR A 1 127 ? 36.186 11.016 45.496 1.00 26.96 ? 189 TYR A CB 1 ATOM 1019 C CG . TYR A 1 127 ? 35.594 12.230 46.183 1.00 27.71 ? 189 TYR A CG 1 ATOM 1020 C CD1 . TYR A 1 127 ? 34.823 13.138 45.476 1.00 29.46 ? 189 TYR A CD1 1 ATOM 1021 C CD2 . TYR A 1 127 ? 35.738 12.425 47.565 1.00 25.78 ? 189 TYR A CD2 1 ATOM 1022 C CE1 . TYR A 1 127 ? 34.254 14.237 46.088 1.00 28.42 ? 189 TYR A CE1 1 ATOM 1023 C CE2 . TYR A 1 127 ? 35.174 13.534 48.201 1.00 24.95 ? 189 TYR A CE2 1 ATOM 1024 C CZ . TYR A 1 127 ? 34.414 14.423 47.468 1.00 28.07 ? 189 TYR A CZ 1 ATOM 1025 O OH . TYR A 1 127 ? 33.829 15.526 48.056 1.00 29.10 ? 189 TYR A OH 1 ATOM 1026 N N . ARG A 1 128 ? 37.008 12.380 42.882 1.00 28.11 ? 190 ARG A N 1 ATOM 1027 C CA . ARG A 1 128 ? 37.013 13.534 41.990 1.00 29.30 ? 190 ARG A CA 1 ATOM 1028 C C . ARG A 1 128 ? 35.674 14.265 42.056 1.00 32.38 ? 190 ARG A C 1 ATOM 1029 O O . ARG A 1 128 ? 34.637 13.658 42.336 1.00 33.37 ? 190 ARG A O 1 ATOM 1030 C CB . ARG A 1 128 ? 37.325 13.134 40.538 1.00 29.91 ? 190 ARG A CB 1 ATOM 1031 C CG . ARG A 1 128 ? 36.171 12.507 39.796 1.00 31.88 ? 190 ARG A CG 1 ATOM 1032 C CD . ARG A 1 128 ? 36.539 12.270 38.340 1.00 32.75 ? 190 ARG A CD 1 ATOM 1033 N NE . ARG A 1 128 ? 35.433 11.728 37.562 1.00 37.27 ? 190 ARG A NE 1 ATOM 1034 C CZ . ARG A 1 128 ? 35.099 10.438 37.447 1.00 37.28 ? 190 ARG A CZ 1 ATOM 1035 N NH1 . ARG A 1 128 ? 35.758 9.496 38.095 1.00 35.44 ? 190 ARG A NH1 1 ATOM 1036 N NH2 . ARG A 1 128 ? 34.085 10.083 36.651 1.00 39.68 ? 190 ARG A NH2 1 ATOM 1037 N N . SER A 1 129 ? 35.719 15.560 41.800 1.00 31.68 ? 191 SER A N 1 ATOM 1038 C CA . SER A 1 129 ? 34.533 16.368 41.650 1.00 36.03 ? 191 SER A CA 1 ATOM 1039 C C . SER A 1 129 ? 34.644 17.208 40.364 1.00 37.72 ? 191 SER A C 1 ATOM 1040 O O . SER A 1 129 ? 35.686 17.814 40.138 1.00 40.11 ? 191 SER A O 1 ATOM 1041 C CB . SER A 1 129 ? 34.408 17.270 42.860 1.00 39.21 ? 191 SER A CB 1 ATOM 1042 O OG . SER A 1 129 ? 33.369 18.175 42.644 1.00 46.15 ? 191 SER A OG 1 ATOM 1043 N N . GLU A 1 130 ? 33.594 17.182 39.543 1.00 50.79 ? 192 GLU A N 1 ATOM 1044 C CA . GLU A 1 130 ? 33.513 17.855 38.214 1.00 52.60 ? 192 GLU A CA 1 ATOM 1045 C C . GLU A 1 130 ? 32.534 19.059 38.311 1.00 65.25 ? 192 GLU A C 1 ATOM 1046 O O . GLU A 1 130 ? 31.534 18.969 39.031 1.00 65.94 ? 192 GLU A O 1 ATOM 1047 C CB . GLU A 1 130 ? 33.057 16.834 37.176 1.00 51.74 ? 192 GLU A CB 1 ATOM 1048 C CG . GLU A 1 130 ? 33.871 15.543 37.121 1.00 55.09 ? 192 GLU A CG 1 ATOM 1049 C CD . GLU A 1 130 ? 33.346 14.564 36.082 1.00 58.87 ? 192 GLU A CD 1 ATOM 1050 O OE1 . GLU A 1 130 ? 33.879 13.446 35.946 1.00 57.30 ? 192 GLU A OE1 1 ATOM 1051 O OE2 . GLU A 1 130 ? 32.381 14.910 35.382 1.00 72.63 ? 192 GLU A OE2 1 ATOM 1052 N N . TYR A 1 131 ? 32.914 20.160 37.702 1.00 70.01 ? 193 TYR A N 1 ATOM 1053 C CA . TYR A 1 131 ? 32.105 21.352 37.688 1.00 77.78 ? 193 TYR A CA 1 ATOM 1054 C C . TYR A 1 131 ? 32.474 22.191 36.478 1.00 81.07 ? 193 TYR A C 1 ATOM 1055 O O . TYR A 1 131 ? 33.522 22.016 35.908 1.00 79.12 ? 193 TYR A O 1 ATOM 1056 C CB . TYR A 1 131 ? 32.322 22.144 38.972 1.00 77.90 ? 193 TYR A CB 1 ATOM 1057 C CG . TYR A 1 131 ? 33.666 22.760 39.105 1.00 59.04 ? 193 TYR A CG 1 ATOM 1058 C CD1 . TYR A 1 131 ? 34.716 22.064 39.661 1.00 67.95 ? 193 TYR A CD1 1 ATOM 1059 C CD2 . TYR A 1 131 ? 33.889 24.028 38.699 1.00 72.56 ? 193 TYR A CD2 1 ATOM 1060 C CE1 . TYR A 1 131 ? 35.944 22.633 39.779 1.00 65.13 ? 193 TYR A CE1 1 ATOM 1061 C CE2 . TYR A 1 131 ? 35.116 24.600 38.822 1.00 64.50 ? 193 TYR A CE2 1 ATOM 1062 C CZ . TYR A 1 131 ? 36.138 23.888 39.372 1.00 66.09 ? 193 TYR A CZ 1 ATOM 1063 O OH . TYR A 1 131 ? 37.357 24.458 39.480 1.00 70.79 ? 193 TYR A OH 1 ATOM 1064 N N . MET A 1 132 ? 31.614 23.117 36.100 1.00 115.96 ? 194 MET A N 1 ATOM 1065 C CA . MET A 1 132 ? 31.859 23.950 34.931 1.00 108.09 ? 194 MET A CA 1 ATOM 1066 C C . MET A 1 132 ? 32.416 25.341 35.227 1.00 106.66 ? 194 MET A C 1 ATOM 1067 O O . MET A 1 132 ? 31.993 26.004 36.125 1.00 102.37 ? 194 MET A O 1 ATOM 1068 C CB . MET A 1 132 ? 30.587 24.058 34.097 1.00 129.16 ? 194 MET A CB 1 ATOM 1069 C CG . MET A 1 132 ? 30.064 22.751 33.537 1.00 119.70 ? 194 MET A CG 1 ATOM 1070 S SD . MET A 1 132 ? 31.250 21.937 32.485 1.00 121.47 ? 194 MET A SD 1 ATOM 1071 C CE . MET A 1 132 ? 31.340 23.009 31.090 1.00 107.25 ? 194 MET A CE 1 ATOM 1072 N N . GLU A 1 133 ? 33.396 25.759 34.462 1.00 110.16 ? 195 GLU A N 1 ATOM 1073 C CA . GLU A 1 133 ? 33.819 27.137 34.448 1.00 129.98 ? 195 GLU A CA 1 ATOM 1074 C C . GLU A 1 133 ? 33.540 27.663 33.047 1.00 141.60 ? 195 GLU A C 1 ATOM 1075 O O . GLU A 1 133 ? 34.448 27.734 32.235 1.00 141.72 ? 195 GLU A O 1 ATOM 1076 C CB . GLU A 1 133 ? 35.302 27.290 34.763 1.00 128.04 ? 195 GLU A CB 1 ATOM 1077 C CG . GLU A 1 133 ? 35.656 28.664 35.303 1.00 136.82 ? 195 GLU A CG 1 ATOM 1078 C CD . GLU A 1 133 ? 37.139 28.911 35.498 1.00 142.99 ? 195 GLU A CD 1 ATOM 1079 O OE1 . GLU A 1 133 ? 37.910 28.830 34.535 1.00 134.40 ? 195 GLU A OE1 1 ATOM 1080 O OE2 . GLU A 1 133 ? 37.546 29.221 36.615 1.00 136.29 ? 195 GLU A OE2 1 ATOM 1081 N N . GLY A 1 134 ? 32.277 27.998 32.766 1.00 180.93 ? 196 GLY A N 1 ATOM 1082 C CA . GLY A 1 134 ? 31.931 28.559 31.475 1.00 176.40 ? 196 GLY A CA 1 ATOM 1083 C C . GLY A 1 134 ? 31.691 27.486 30.437 1.00 207.95 ? 196 GLY A C 1 ATOM 1084 O O . GLY A 1 134 ? 30.805 26.643 30.603 1.00 195.04 ? 196 GLY A O 1 ATOM 1085 N N . ASN A 1 135 ? 32.509 27.522 29.385 1.00 200.73 ? 197 ASN A N 1 ATOM 1086 C CA . ASN A 1 135 ? 32.591 26.474 28.361 1.00 213.47 ? 197 ASN A CA 1 ATOM 1087 C C . ASN A 1 135 ? 33.151 25.187 28.911 1.00 199.73 ? 197 ASN A C 1 ATOM 1088 O O . ASN A 1 135 ? 32.851 24.097 28.434 1.00 182.85 ? 197 ASN A O 1 ATOM 1089 C CB . ASN A 1 135 ? 33.555 26.910 27.249 1.00 193.64 ? 197 ASN A CB 1 ATOM 1090 C CG . ASN A 1 135 ? 32.916 27.812 26.241 1.00 192.25 ? 197 ASN A CG 1 ATOM 1091 O OD1 . ASN A 1 135 ? 33.179 29.016 26.201 1.00 199.95 ? 197 ASN A OD1 1 ATOM 1092 N ND2 . ASN A 1 135 ? 32.073 27.238 25.390 1.00 203.39 ? 197 ASN A ND2 1 ATOM 1093 N N . VAL A 1 136 ? 34.002 25.308 29.926 1.00 158.25 ? 198 VAL A N 1 ATOM 1094 C CA . VAL A 1 136 ? 34.910 24.239 30.354 1.00 151.37 ? 198 VAL A CA 1 ATOM 1095 C C . VAL A 1 136 ? 34.539 23.362 31.558 1.00 140.09 ? 198 VAL A C 1 ATOM 1096 O O . VAL A 1 136 ? 34.133 23.849 32.589 1.00 122.00 ? 198 VAL A O 1 ATOM 1097 C CB . VAL A 1 136 ? 36.292 24.799 30.692 1.00 151.17 ? 198 VAL A CB 1 ATOM 1098 C CG1 . VAL A 1 136 ? 37.328 23.714 30.573 1.00 156.79 ? 198 VAL A CG1 1 ATOM 1099 C CG2 . VAL A 1 136 ? 36.647 25.958 29.806 1.00 150.02 ? 198 VAL A CG2 1 ATOM 1100 N N . LYS A 1 137 ? 34.736 22.061 31.410 1.00 102.71 ? 199 LYS A N 1 ATOM 1101 C CA . LYS A 1 137 ? 34.550 21.143 32.506 1.00 96.43 ? 199 LYS A CA 1 ATOM 1102 C C . LYS A 1 137 ? 35.829 21.019 33.283 1.00 83.88 ? 199 LYS A C 1 ATOM 1103 O O . LYS A 1 137 ? 36.837 20.614 32.758 1.00 85.97 ? 199 LYS A O 1 ATOM 1104 C CB . LYS A 1 137 ? 34.110 19.774 32.043 1.00 96.90 ? 199 LYS A CB 1 ATOM 1105 C CG . LYS A 1 137 ? 33.768 18.860 33.200 1.00 90.31 ? 199 LYS A CG 1 ATOM 1106 C CD . LYS A 1 137 ? 33.218 17.532 32.742 1.00 92.17 ? 199 LYS A CD 1 ATOM 1107 C CE . LYS A 1 137 ? 34.332 16.570 32.406 1.00 96.93 ? 199 LYS A CE 1 ATOM 1108 N NZ . LYS A 1 137 ? 33.764 15.332 31.824 1.00 91.98 ? 199 LYS A NZ 1 ATOM 1109 N N . LYS A 1 138 ? 35.768 21.429 34.537 1.00 59.55 ? 200 LYS A N 1 ATOM 1110 C CA . LYS A 1 138 ? 36.860 21.265 35.504 1.00 59.24 ? 200 LYS A CA 1 ATOM 1111 C C . LYS A 1 138 ? 36.668 20.024 36.381 1.00 60.51 ? 200 LYS A C 1 ATOM 1112 O O . LYS A 1 138 ? 35.550 19.547 36.639 1.00 64.24 ? 200 LYS A O 1 ATOM 1113 C CB . LYS A 1 138 ? 36.986 22.501 36.405 1.00 53.24 ? 200 LYS A CB 1 ATOM 1114 C CG . LYS A 1 138 ? 37.181 23.835 35.669 1.00 65.08 ? 200 LYS A CG 1 ATOM 1115 C CD . LYS A 1 138 ? 38.634 24.106 35.314 1.00 63.13 ? 200 LYS A CD 1 ATOM 1116 C CE . LYS A 1 138 ? 38.804 25.373 34.484 1.00 64.63 ? 200 LYS A CE 1 ATOM 1117 N NZ . LYS A 1 138 ? 40.159 25.462 33.837 1.00 69.28 ? 200 LYS A NZ 1 ATOM 1118 N N . VAL A 1 139 ? 37.802 19.485 36.818 1.00 47.35 ? 201 VAL A N 1 ATOM 1119 C CA . VAL A 1 139 ? 37.844 18.296 37.647 1.00 43.28 ? 201 VAL A CA 1 ATOM 1120 C C . VAL A 1 139 ? 38.864 18.552 38.738 1.00 41.68 ? 201 VAL A C 1 ATOM 1121 O O . VAL A 1 139 ? 40.011 18.912 38.456 1.00 39.79 ? 201 VAL A O 1 ATOM 1122 C CB . VAL A 1 139 ? 38.313 17.028 36.875 1.00 43.11 ? 201 VAL A CB 1 ATOM 1123 C CG1 . VAL A 1 139 ? 38.176 15.791 37.759 1.00 35.54 ? 201 VAL A CG1 1 ATOM 1124 C CG2 . VAL A 1 139 ? 37.519 16.832 35.617 1.00 43.68 ? 201 VAL A CG2 1 ATOM 1125 N N . LEU A 1 140 ? 38.456 18.370 39.984 1.00 34.34 ? 202 LEU A N 1 ATOM 1126 C CA . LEU A 1 140 ? 39.399 18.484 41.086 1.00 31.84 ? 202 LEU A CA 1 ATOM 1127 C C . LEU A 1 140 ? 39.413 17.198 41.883 1.00 31.13 ? 202 LEU A C 1 ATOM 1128 O O . LEU A 1 140 ? 38.560 16.337 41.700 1.00 31.59 ? 202 LEU A O 1 ATOM 1129 C CB . LEU A 1 140 ? 39.053 19.698 41.977 1.00 31.90 ? 202 LEU A CB 1 ATOM 1130 C CG . LEU A 1 140 ? 37.654 19.694 42.589 1.00 33.05 ? 202 LEU A CG 1 ATOM 1131 C CD1 . LEU A 1 140 ? 37.637 18.816 43.811 1.00 36.81 ? 202 LEU A CD1 1 ATOM 1132 C CD2 . LEU A 1 140 ? 37.203 21.079 42.969 1.00 35.48 ? 202 LEU A CD2 1 ATOM 1133 N N . ALA A 1 141 ? 40.411 17.054 42.746 1.00 27.39 ? 203 ALA A N 1 ATOM 1134 C CA . ALA A 1 141 ? 40.525 15.877 43.604 1.00 26.90 ? 203 ALA A CA 1 ATOM 1135 C C . ALA A 1 141 ? 40.395 16.337 45.034 1.00 27.04 ? 203 ALA A C 1 ATOM 1136 O O . ALA A 1 141 ? 40.964 17.357 45.427 1.00 27.90 ? 203 ALA A O 1 ATOM 1137 C CB . ALA A 1 141 ? 41.864 15.187 43.399 1.00 26.35 ? 203 ALA A CB 1 ATOM 1138 N N . THR A 1 142 ? 39.599 15.613 45.802 1.00 26.15 ? 204 THR A N 1 ATOM 1139 C CA . THR A 1 142 ? 39.337 16.028 47.187 1.00 27.12 ? 204 THR A CA 1 ATOM 1140 C C . THR A 1 142 ? 39.057 14.799 48.013 1.00 26.04 ? 204 THR A C 1 ATOM 1141 O O . THR A 1 142 ? 39.049 13.691 47.477 1.00 24.23 ? 204 THR A O 1 ATOM 1142 C CB . THR A 1 142 ? 38.208 17.107 47.271 1.00 26.60 ? 204 THR A CB 1 ATOM 1143 O OG1 . THR A 1 142 ? 38.063 17.575 48.631 1.00 26.01 ? 204 THR A OG1 1 ATOM 1144 C CG2 . THR A 1 142 ? 36.895 16.583 46.716 1.00 25.97 ? 204 THR A CG2 1 ATOM 1145 N N . THR A 1 143 ? 38.815 14.987 49.321 1.00 24.93 ? 205 THR A N 1 ATOM 1146 C CA . THR A 1 143 ? 38.650 13.837 50.215 1.00 24.97 ? 205 THR A CA 1 ATOM 1147 C C . THR A 1 143 ? 37.395 13.906 51.081 1.00 24.36 ? 205 THR A C 1 ATOM 1148 O O . THR A 1 143 ? 36.926 14.986 51.423 1.00 23.35 ? 205 THR A O 1 ATOM 1149 C CB . THR A 1 143 ? 39.853 13.696 51.165 1.00 25.37 ? 205 THR A CB 1 ATOM 1150 O OG1 . THR A 1 143 ? 40.071 14.942 51.843 1.00 25.27 ? 205 THR A OG1 1 ATOM 1151 C CG2 . THR A 1 143 ? 41.126 13.298 50.387 1.00 23.65 ? 205 THR A CG2 1 ATOM 1152 N N . GLN A 1 144 ? 36.887 12.734 51.430 1.00 22.75 ? 206 GLN A N 1 ATOM 1153 C CA . GLN A 1 144 ? 35.903 12.555 52.483 1.00 24.88 ? 206 GLN A CA 1 ATOM 1154 C C . GLN A 1 144 ? 36.224 11.202 53.131 1.00 23.94 ? 206 GLN A C 1 ATOM 1155 O O . GLN A 1 144 ? 35.947 10.141 52.575 1.00 24.95 ? 206 GLN A O 1 ATOM 1156 C CB . GLN A 1 144 ? 34.483 12.582 51.936 1.00 24.07 ? 206 GLN A CB 1 ATOM 1157 C CG . GLN A 1 144 ? 33.421 12.217 52.983 1.00 24.52 ? 206 GLN A CG 1 ATOM 1158 C CD . GLN A 1 144 ? 33.206 13.304 54.020 1.00 28.61 ? 206 GLN A CD 1 ATOM 1159 O OE1 . GLN A 1 144 ? 33.709 14.440 53.956 1.00 25.48 ? 206 GLN A OE1 1 ATOM 1160 N NE2 . GLN A 1 144 ? 32.417 12.969 54.980 1.00 34.44 ? 206 GLN A NE2 1 ATOM 1161 N N . MET A 1 145 ? 36.850 11.257 54.292 1.00 23.49 ? 207 MET A N 1 ATOM 1162 C CA . MET A 1 145 ? 37.244 10.052 55.024 1.00 23.70 ? 207 MET A CA 1 ATOM 1163 C C . MET A 1 145 ? 36.167 9.587 55.989 1.00 23.43 ? 207 MET A C 1 ATOM 1164 O O . MET A 1 145 ? 36.018 8.392 56.218 1.00 24.05 ? 207 MET A O 1 ATOM 1165 C CB . MET A 1 145 ? 38.543 10.254 55.792 1.00 23.86 ? 207 MET A CB 1 ATOM 1166 C CG . MET A 1 145 ? 39.633 10.927 54.982 1.00 23.14 ? 207 MET A CG 1 ATOM 1167 S SD . MET A 1 145 ? 39.856 10.113 53.381 1.00 25.38 ? 207 MET A SD 1 ATOM 1168 C CE . MET A 1 145 ? 41.555 10.629 53.066 1.00 25.16 ? 207 MET A CE 1 ATOM 1169 N N . GLN A 1 146 ? 35.459 10.525 56.590 1.00 23.44 ? 208 GLN A N 1 ATOM 1170 C CA . GLN A 1 146 ? 34.431 10.171 57.567 1.00 24.83 ? 208 GLN A CA 1 ATOM 1171 C C . GLN A 1 146 ? 33.410 9.218 56.965 1.00 25.55 ? 208 GLN A C 1 ATOM 1172 O O . GLN A 1 146 ? 32.904 9.533 55.913 1.00 28.68 ? 208 GLN A O 1 ATOM 1173 C CB . GLN A 1 146 ? 33.752 11.493 57.929 1.00 31.00 ? 208 GLN A CB 1 ATOM 1174 C CG . GLN A 1 146 ? 32.336 11.454 58.456 1.00 33.40 ? 208 GLN A CG 1 ATOM 1175 C CD . GLN A 1 146 ? 32.505 11.359 59.899 1.00 30.20 ? 208 GLN A CD 1 ATOM 1176 O OE1 . GLN A 1 146 ? 32.339 12.294 60.690 1.00 30.30 ? 208 GLN A OE1 1 ATOM 1177 N NE2 . GLN A 1 146 ? 33.059 10.246 60.235 1.00 29.40 ? 208 GLN A NE2 1 ATOM 1178 N N . SER A 1 147 ? 33.081 8.068 57.573 1.00 24.41 ? 209 SER A N 1 ATOM 1179 C CA . SER A 1 147 ? 33.655 7.512 58.793 1.00 24.74 ? 209 SER A CA 1 ATOM 1180 C C . SER A 1 147 ? 34.820 6.571 58.559 1.00 24.18 ? 209 SER A C 1 ATOM 1181 O O . SER A 1 147 ? 35.798 6.580 59.315 1.00 22.78 ? 209 SER A O 1 ATOM 1182 C CB . SER A 1 147 ? 32.575 6.692 59.498 1.00 28.59 ? 209 SER A CB 1 ATOM 1183 O OG . SER A 1 147 ? 31.698 7.661 60.060 1.00 35.49 ? 209 SER A OG 1 ATOM 1184 N N . THR A 1 148 ? 34.658 5.695 57.574 1.00 24.19 ? 210 THR A N 1 ATOM 1185 C CA . THR A 1 148 ? 35.576 4.566 57.385 1.00 24.79 ? 210 THR A CA 1 ATOM 1186 C C . THR A 1 148 ? 36.192 4.544 55.976 1.00 24.93 ? 210 THR A C 1 ATOM 1187 O O . THR A 1 148 ? 36.447 3.456 55.420 1.00 24.44 ? 210 THR A O 1 ATOM 1188 C CB . THR A 1 148 ? 34.882 3.206 57.705 1.00 24.17 ? 210 THR A CB 1 ATOM 1189 O OG1 . THR A 1 148 ? 33.679 3.093 56.954 1.00 25.22 ? 210 THR A OG1 1 ATOM 1190 C CG2 . THR A 1 148 ? 34.556 3.124 59.230 1.00 24.72 ? 210 THR A CG2 1 ATOM 1191 N N . ASP A 1 149 ? 36.439 5.729 55.419 1.00 22.92 ? 211 ASP A N 1 ATOM 1192 C CA . ASP A 1 149 ? 36.994 5.838 54.076 1.00 24.79 ? 211 ASP A CA 1 ATOM 1193 C C . ASP A 1 149 ? 38.451 6.295 53.956 1.00 23.74 ? 211 ASP A C 1 ATOM 1194 O O . ASP A 1 149 ? 38.990 6.311 52.853 1.00 22.84 ? 211 ASP A O 1 ATOM 1195 C CB . ASP A 1 149 ? 36.058 6.584 53.140 1.00 24.41 ? 211 ASP A CB 1 ATOM 1196 C CG . ASP A 1 149 ? 34.914 5.725 52.687 1.00 26.10 ? 211 ASP A CG 1 ATOM 1197 O OD1 . ASP A 1 149 ? 35.170 4.589 52.236 1.00 26.70 ? 211 ASP A OD1 1 ATOM 1198 O OD2 . ASP A 1 149 ? 33.751 6.175 52.766 1.00 28.05 ? 211 ASP A OD2 1 ATOM 1199 N N . ALA A 1 150 ? 39.129 6.576 55.071 1.00 22.64 ? 212 ALA A N 1 ATOM 1200 C CA . ALA A 1 150 ? 40.576 6.857 54.961 1.00 23.18 ? 212 ALA A CA 1 ATOM 1201 C C . ALA A 1 150 ? 41.300 5.669 54.295 1.00 22.97 ? 212 ALA A C 1 ATOM 1202 O O . ALA A 1 150 ? 42.161 5.851 53.464 1.00 23.63 ? 212 ALA A O 1 ATOM 1203 C CB . ALA A 1 150 ? 41.206 7.175 56.294 1.00 21.62 ? 212 ALA A CB 1 ATOM 1204 N N . ARG A 1 151 ? 40.904 4.465 54.678 1.00 24.47 ? 213 ARG A N 1 ATOM 1205 C CA . ARG A 1 151 ? 41.408 3.200 54.140 1.00 22.77 ? 213 ARG A CA 1 ATOM 1206 C C . ARG A 1 151 ? 41.144 2.999 52.615 1.00 23.70 ? 213 ARG A C 1 ATOM 1207 O O . ARG A 1 151 ? 41.683 2.051 52.040 1.00 24.87 ? 213 ARG A O 1 ATOM 1208 C CB . ARG A 1 151 ? 40.727 2.045 54.899 1.00 23.51 ? 213 ARG A CB 1 ATOM 1209 C CG . ARG A 1 151 ? 39.234 2.006 54.631 1.00 22.84 ? 213 ARG A CG 1 ATOM 1210 C CD . ARG A 1 151 ? 38.510 0.985 55.499 1.00 23.43 ? 213 ARG A CD 1 ATOM 1211 N NE . ARG A 1 151 ? 38.449 1.407 56.899 1.00 24.23 ? 213 ARG A NE 1 ATOM 1212 C CZ . ARG A 1 151 ? 37.653 0.827 57.794 1.00 25.19 ? 213 ARG A CZ 1 ATOM 1213 N NH1 . ARG A 1 151 ? 36.898 -0.215 57.430 1.00 24.47 ? 213 ARG A NH1 1 ATOM 1214 N NH2 . ARG A 1 151 ? 37.619 1.274 59.057 1.00 24.29 ? 213 ARG A NH2 1 ATOM 1215 N N . LYS A 1 152 ? 40.261 3.804 52.022 1.00 22.78 ? 214 LYS A N 1 ATOM 1216 C CA . LYS A 1 152 ? 40.000 3.785 50.588 1.00 25.14 ? 214 LYS A CA 1 ATOM 1217 C C . LYS A 1 152 ? 41.046 4.655 49.870 1.00 25.02 ? 214 LYS A C 1 ATOM 1218 O O . LYS A 1 152 ? 41.121 4.595 48.646 1.00 25.14 ? 214 LYS A O 1 ATOM 1219 C CB . LYS A 1 152 ? 38.585 4.298 50.310 1.00 25.02 ? 214 LYS A CB 1 ATOM 1220 C CG . LYS A 1 152 ? 37.991 4.109 48.929 1.00 27.17 ? 214 LYS A CG 1 ATOM 1221 C CD . LYS A 1 152 ? 36.522 4.558 48.956 1.00 26.03 ? 214 LYS A CD 1 ATOM 1222 C CE . LYS A 1 152 ? 35.894 4.488 47.550 1.00 27.65 ? 214 LYS A CE 1 ATOM 1223 N NZ . LYS A 1 152 ? 36.270 5.680 46.763 1.00 25.53 ? 214 LYS A NZ 1 ATOM 1224 N N . SER A 1 153 ? 41.820 5.464 50.617 1.00 23.51 ? 215 SER A N 1 ATOM 1225 C CA . SER A 1 153 ? 42.877 6.289 50.004 1.00 24.51 ? 215 SER A CA 1 ATOM 1226 C C . SER A 1 153 ? 44.306 5.822 50.240 1.00 24.27 ? 215 SER A C 1 ATOM 1227 O O . SER A 1 153 ? 45.214 6.172 49.487 1.00 25.17 ? 215 SER A O 1 ATOM 1228 C CB . SER A 1 153 ? 42.824 7.739 50.476 1.00 25.54 ? 215 SER A CB 1 ATOM 1229 O OG . SER A 1 153 ? 43.726 8.526 49.670 1.00 28.11 ? 215 SER A OG 1 ATOM 1230 N N . PHE A 1 154 ? 44.508 5.111 51.339 1.00 23.55 ? 216 PHE A N 1 ATOM 1231 C CA . PHE A 1 154 ? 45.791 4.478 51.701 1.00 23.61 ? 216 PHE A CA 1 ATOM 1232 C C . PHE A 1 154 ? 45.584 3.482 52.855 1.00 23.43 ? 216 PHE A C 1 ATOM 1233 O O . PHE A 1 154 ? 44.618 3.620 53.630 1.00 24.60 ? 216 PHE A O 1 ATOM 1234 C CB . PHE A 1 154 ? 46.864 5.521 52.077 1.00 23.80 ? 216 PHE A CB 1 ATOM 1235 C CG . PHE A 1 154 ? 46.565 6.320 53.340 1.00 23.59 ? 216 PHE A CG 1 ATOM 1236 C CD1 . PHE A 1 154 ? 45.737 7.431 53.298 1.00 23.19 ? 216 PHE A CD1 1 ATOM 1237 C CD2 . PHE A 1 154 ? 47.151 5.980 54.558 1.00 22.90 ? 216 PHE A CD2 1 ATOM 1238 C CE1 . PHE A 1 154 ? 45.493 8.151 54.443 1.00 24.44 ? 216 PHE A CE1 1 ATOM 1239 C CE2 . PHE A 1 154 ? 46.927 6.718 55.724 1.00 22.85 ? 216 PHE A CE2 1 ATOM 1240 C CZ . PHE A 1 154 ? 46.111 7.817 55.666 1.00 24.84 ? 216 PHE A CZ 1 ATOM 1241 N N . PRO A 1 155 ? 46.459 2.478 52.972 1.00 23.40 ? 217 PRO A N 1 ATOM 1242 C CA . PRO A 1 155 ? 46.288 1.506 54.040 1.00 23.58 ? 217 PRO A CA 1 ATOM 1243 C C . PRO A 1 155 ? 46.610 2.100 55.385 1.00 23.83 ? 217 PRO A C 1 ATOM 1244 O O . PRO A 1 155 ? 47.648 2.761 55.547 1.00 22.53 ? 217 PRO A O 1 ATOM 1245 C CB . PRO A 1 155 ? 47.247 0.359 53.686 1.00 24.33 ? 217 PRO A CB 1 ATOM 1246 C CG . PRO A 1 155 ? 48.258 1.008 52.791 1.00 25.61 ? 217 PRO A CG 1 ATOM 1247 C CD . PRO A 1 155 ? 47.612 2.160 52.107 1.00 24.99 ? 217 PRO A CD 1 ATOM 1248 N N . CYS A 1 156 ? 45.685 1.936 56.326 1.00 23.25 ? 218 CYS A N 1 ATOM 1249 C CA . CYS A 1 156 ? 45.844 2.559 57.625 1.00 23.03 ? 218 CYS A CA 1 ATOM 1250 C C . CYS A 1 156 ? 45.036 1.823 58.708 1.00 23.33 ? 218 CYS A C 1 ATOM 1251 O O . CYS A 1 156 ? 44.137 1.040 58.414 1.00 23.38 ? 218 CYS A O 1 ATOM 1252 C CB . CYS A 1 156 ? 45.477 4.051 57.577 1.00 20.05 ? 218 CYS A CB 1 ATOM 1253 S SG . CYS A 1 156 ? 43.839 4.372 56.934 1.00 24.47 ? 218 CYS A SG 1 ATOM 1254 N N . PHE A 1 157 ? 45.422 2.072 59.952 1.00 22.67 ? 219 PHE A N 1 ATOM 1255 C CA . PHE A 1 157 ? 44.683 1.558 61.110 1.00 23.04 ? 219 PHE A CA 1 ATOM 1256 C C . PHE A 1 157 ? 43.548 2.533 61.301 1.00 23.17 ? 219 PHE A C 1 ATOM 1257 O O . PHE A 1 157 ? 43.674 3.525 62.014 1.00 23.12 ? 219 PHE A O 1 ATOM 1258 C CB . PHE A 1 157 ? 45.581 1.465 62.335 1.00 23.82 ? 219 PHE A CB 1 ATOM 1259 C CG . PHE A 1 157 ? 46.746 0.512 62.181 1.00 24.68 ? 219 PHE A CG 1 ATOM 1260 C CD1 . PHE A 1 157 ? 46.617 -0.828 62.470 1.00 26.35 ? 219 PHE A CD1 1 ATOM 1261 C CD2 . PHE A 1 157 ? 47.993 0.985 61.767 1.00 25.93 ? 219 PHE A CD2 1 ATOM 1262 C CE1 . PHE A 1 157 ? 47.692 -1.709 62.331 1.00 28.34 ? 219 PHE A CE1 1 ATOM 1263 C CE2 . PHE A 1 157 ? 49.083 0.120 61.629 1.00 25.48 ? 219 PHE A CE2 1 ATOM 1264 C CZ . PHE A 1 157 ? 48.923 -1.248 61.913 1.00 25.83 ? 219 PHE A CZ 1 ATOM 1265 N N . ASP A 1 158 ? 42.454 2.252 60.607 1.00 23.11 ? 220 ASP A N 1 ATOM 1266 C CA . ASP A 1 158 ? 41.416 3.232 60.369 1.00 23.51 ? 220 ASP A CA 1 ATOM 1267 C C . ASP A 1 158 ? 40.329 3.111 61.433 1.00 23.86 ? 220 ASP A C 1 ATOM 1268 O O . ASP A 1 158 ? 39.192 2.820 61.106 1.00 22.53 ? 220 ASP A O 1 ATOM 1269 C CB . ASP A 1 158 ? 40.874 3.051 58.935 1.00 22.10 ? 220 ASP A CB 1 ATOM 1270 C CG . ASP A 1 158 ? 40.009 4.209 58.453 1.00 23.78 ? 220 ASP A CG 1 ATOM 1271 O OD1 . ASP A 1 158 ? 39.947 5.306 59.130 1.00 21.98 ? 220 ASP A OD1 1 ATOM 1272 O OD2 . ASP A 1 158 ? 39.381 3.973 57.366 1.00 23.83 ? 220 ASP A OD2 1 ATOM 1273 N N . GLU A 1 159 ? 40.718 3.373 62.681 1.00 24.14 ? 221 GLU A N 1 ATOM 1274 C CA . GLU A 1 159 ? 39.792 3.515 63.849 1.00 24.51 ? 221 GLU A CA 1 ATOM 1275 C C . GLU A 1 159 ? 40.140 4.802 64.553 1.00 24.52 ? 221 GLU A C 1 ATOM 1276 O O . GLU A 1 159 ? 41.329 5.123 64.689 1.00 23.22 ? 221 GLU A O 1 ATOM 1277 C CB . GLU A 1 159 ? 39.867 2.343 64.830 1.00 24.43 ? 221 GLU A CB 1 ATOM 1278 C CG . GLU A 1 159 ? 39.404 1.020 64.218 1.00 23.96 ? 221 GLU A CG 1 ATOM 1279 C CD . GLU A 1 159 ? 39.326 -0.116 65.220 1.00 24.72 ? 221 GLU A CD 1 ATOM 1280 O OE1 . GLU A 1 159 ? 39.800 0.049 66.382 1.00 25.04 ? 221 GLU A OE1 1 ATOM 1281 O OE2 . GLU A 1 159 ? 38.788 -1.185 64.838 1.00 25.74 ? 221 GLU A OE2 1 ATOM 1282 N N . PRO A 1 160 ? 39.132 5.545 65.032 1.00 23.46 ? 222 PRO A N 1 ATOM 1283 C CA . PRO A 1 160 ? 39.426 6.912 65.531 1.00 24.42 ? 222 PRO A CA 1 ATOM 1284 C C . PRO A 1 160 ? 40.388 7.012 66.740 1.00 22.58 ? 222 PRO A C 1 ATOM 1285 O O . PRO A 1 160 ? 41.060 8.021 66.902 1.00 23.00 ? 222 PRO A O 1 ATOM 1286 C CB . PRO A 1 160 ? 38.049 7.477 65.906 1.00 24.85 ? 222 PRO A CB 1 ATOM 1287 C CG . PRO A 1 160 ? 37.137 6.322 65.966 1.00 26.15 ? 222 PRO A CG 1 ATOM 1288 C CD . PRO A 1 160 ? 37.707 5.220 65.090 1.00 24.96 ? 222 PRO A CD 1 ATOM 1289 N N . ALA A 1 161 ? 40.447 5.992 67.592 1.00 22.76 ? 223 ALA A N 1 ATOM 1290 C CA . ALA A 1 161 ? 41.346 6.059 68.753 1.00 24.97 ? 223 ALA A CA 1 ATOM 1291 C C . ALA A 1 161 ? 42.808 5.792 68.344 1.00 23.65 ? 223 ALA A C 1 ATOM 1292 O O . ALA A 1 161 ? 43.703 6.020 69.135 1.00 23.70 ? 223 ALA A O 1 ATOM 1293 C CB . ALA A 1 161 ? 40.941 5.039 69.829 1.00 24.90 ? 223 ALA A CB 1 ATOM 1294 N N . MET A 1 162 ? 43.027 5.193 67.171 1.00 25.08 ? 224 MET A N 1 ATOM 1295 C CA . MET A 1 162 ? 44.408 4.841 66.746 1.00 24.32 ? 224 MET A CA 1 ATOM 1296 C C . MET A 1 162 ? 45.058 6.039 66.047 1.00 24.32 ? 224 MET A C 1 ATOM 1297 O O . MET A 1 162 ? 45.286 6.042 64.833 1.00 23.98 ? 224 MET A O 1 ATOM 1298 C CB . MET A 1 162 ? 44.400 3.575 65.910 1.00 24.66 ? 224 MET A CB 1 ATOM 1299 C CG . MET A 1 162 ? 44.074 2.371 66.854 1.00 28.05 ? 224 MET A CG 1 ATOM 1300 S SD . MET A 1 162 ? 44.251 0.903 65.944 1.00 35.00 ? 224 MET A SD 1 ATOM 1301 C CE . MET A 1 162 ? 43.569 -0.368 66.993 1.00 36.43 ? 224 MET A CE 1 ATOM 1302 N N . LYS A 1 163 ? 45.376 7.035 66.874 1.00 24.05 ? 225 LYS A N 1 ATOM 1303 C CA . LYS A 1 163 ? 45.841 8.334 66.396 1.00 24.16 ? 225 LYS A CA 1 ATOM 1304 C C . LYS A 1 163 ? 47.318 8.261 66.067 1.00 26.27 ? 225 LYS A C 1 ATOM 1305 O O . LYS A 1 163 ? 48.050 7.412 66.604 1.00 26.55 ? 225 LYS A O 1 ATOM 1306 C CB . LYS A 1 163 ? 45.571 9.443 67.400 1.00 24.15 ? 225 LYS A CB 1 ATOM 1307 C CG . LYS A 1 163 ? 44.086 9.703 67.616 1.00 25.72 ? 225 LYS A CG 1 ATOM 1308 C CD . LYS A 1 163 ? 43.960 10.983 68.480 1.00 28.12 ? 225 LYS A CD 1 ATOM 1309 C CE . LYS A 1 163 ? 42.526 11.332 68.712 1.00 25.48 ? 225 LYS A CE 1 ATOM 1310 N NZ . LYS A 1 163 ? 42.442 12.700 69.310 1.00 25.12 ? 225 LYS A NZ 1 ATOM 1311 N N . ALA A 1 164 ? 47.751 9.135 65.186 1.00 23.12 ? 226 ALA A N 1 ATOM 1312 C CA . ALA A 1 164 ? 49.143 9.150 64.743 1.00 24.85 ? 226 ALA A CA 1 ATOM 1313 C C . ALA A 1 164 ? 49.436 10.480 64.106 1.00 23.01 ? 226 ALA A C 1 ATOM 1314 O O . ALA A 1 164 ? 48.537 11.239 63.835 1.00 23.65 ? 226 ALA A O 1 ATOM 1315 C CB . ALA A 1 164 ? 49.394 8.036 63.722 1.00 24.03 ? 226 ALA A CB 1 ATOM 1316 N N . THR A 1 165 ? 50.711 10.760 63.867 1.00 24.07 ? 227 THR A N 1 ATOM 1317 C CA . THR A 1 165 ? 51.064 11.918 63.044 1.00 24.46 ? 227 THR A CA 1 ATOM 1318 C C . THR A 1 165 ? 51.134 11.493 61.591 1.00 24.16 ? 227 THR A C 1 ATOM 1319 O O . THR A 1 165 ? 51.393 10.313 61.281 1.00 23.73 ? 227 THR A O 1 ATOM 1320 C CB . THR A 1 165 ? 52.407 12.555 63.415 1.00 25.47 ? 227 THR A CB 1 ATOM 1321 O OG1 . THR A 1 165 ? 53.457 11.613 63.204 1.00 23.07 ? 227 THR A OG1 1 ATOM 1322 C CG2 . THR A 1 165 ? 52.441 12.995 64.872 1.00 26.80 ? 227 THR A CG2 1 ATOM 1323 N N . PHE A 1 166 ? 50.892 12.449 60.717 1.00 22.95 ? 228 PHE A N 1 ATOM 1324 C CA . PHE A 1 166 ? 50.829 12.206 59.260 1.00 23.76 ? 228 PHE A CA 1 ATOM 1325 C C . PHE A 1 166 ? 51.654 13.232 58.532 1.00 23.53 ? 228 PHE A C 1 ATOM 1326 O O . PHE A 1 166 ? 51.488 14.452 58.729 1.00 23.30 ? 228 PHE A O 1 ATOM 1327 C CB . PHE A 1 166 ? 49.384 12.245 58.743 1.00 23.10 ? 228 PHE A CB 1 ATOM 1328 C CG . PHE A 1 166 ? 48.515 11.154 59.302 1.00 23.26 ? 228 PHE A CG 1 ATOM 1329 C CD1 . PHE A 1 166 ? 47.846 11.337 60.524 1.00 24.43 ? 228 PHE A CD1 1 ATOM 1330 C CD2 . PHE A 1 166 ? 48.344 9.945 58.603 1.00 22.94 ? 228 PHE A CD2 1 ATOM 1331 C CE1 . PHE A 1 166 ? 47.057 10.307 61.049 1.00 24.37 ? 228 PHE A CE1 1 ATOM 1332 C CE2 . PHE A 1 166 ? 47.552 8.916 59.121 1.00 23.03 ? 228 PHE A CE2 1 ATOM 1333 C CZ . PHE A 1 166 ? 46.913 9.111 60.364 1.00 24.11 ? 228 PHE A CZ 1 ATOM 1334 N N . ASN A 1 167 ? 52.531 12.729 57.672 1.00 23.95 ? 229 ASN A N 1 ATOM 1335 C CA . ASN A 1 167 ? 53.277 13.584 56.763 1.00 24.54 ? 229 ASN A CA 1 ATOM 1336 C C . ASN A 1 167 ? 52.758 13.347 55.365 1.00 24.17 ? 229 ASN A C 1 ATOM 1337 O O . ASN A 1 167 ? 52.978 12.275 54.786 1.00 24.91 ? 229 ASN A O 1 ATOM 1338 C CB . ASN A 1 167 ? 54.748 13.222 56.795 1.00 26.16 ? 229 ASN A CB 1 ATOM 1339 C CG . ASN A 1 167 ? 55.383 13.428 58.144 1.00 27.97 ? 229 ASN A CG 1 ATOM 1340 O OD1 . ASN A 1 167 ? 55.042 14.349 58.874 1.00 27.36 ? 229 ASN A OD1 1 ATOM 1341 N ND2 . ASN A 1 167 ? 56.340 12.558 58.478 1.00 25.86 ? 229 ASN A ND2 1 ATOM 1342 N N . ILE A 1 168 ? 52.004 14.312 54.855 1.00 23.79 ? 230 ILE A N 1 ATOM 1343 C CA . ILE A 1 168 ? 51.312 14.206 53.597 1.00 24.19 ? 230 ILE A CA 1 ATOM 1344 C C . ILE A 1 168 ? 52.127 14.889 52.517 1.00 26.22 ? 230 ILE A C 1 ATOM 1345 O O . ILE A 1 168 ? 52.665 15.977 52.735 1.00 24.76 ? 230 ILE A O 1 ATOM 1346 C CB . ILE A 1 168 ? 49.918 14.871 53.661 1.00 24.44 ? 230 ILE A CB 1 ATOM 1347 C CG1 . ILE A 1 168 ? 49.066 14.269 54.830 1.00 23.49 ? 230 ILE A CG1 1 ATOM 1348 C CG2 . ILE A 1 168 ? 49.218 14.800 52.301 1.00 24.50 ? 230 ILE A CG2 1 ATOM 1349 C CD1 . ILE A 1 168 ? 48.792 12.785 54.649 1.00 24.28 ? 230 ILE A CD1 1 ATOM 1350 N N . THR A 1 169 ? 52.201 14.253 51.348 1.00 24.85 ? 231 THR A N 1 ATOM 1351 C CA . THR A 1 169 ? 52.766 14.881 50.133 1.00 25.59 ? 231 THR A CA 1 ATOM 1352 C C . THR A 1 169 ? 51.779 14.669 48.994 1.00 24.25 ? 231 THR A C 1 ATOM 1353 O O . THR A 1 169 ? 51.221 13.577 48.870 1.00 25.18 ? 231 THR A O 1 ATOM 1354 C CB . THR A 1 169 ? 54.120 14.244 49.764 1.00 26.48 ? 231 THR A CB 1 ATOM 1355 O OG1 . THR A 1 169 ? 55.094 14.542 50.771 1.00 26.00 ? 231 THR A OG1 1 ATOM 1356 C CG2 . THR A 1 169 ? 54.662 14.694 48.369 1.00 25.73 ? 231 THR A CG2 1 ATOM 1357 N N . LEU A 1 170 ? 51.536 15.720 48.198 1.00 25.16 ? 232 LEU A N 1 ATOM 1358 C CA . LEU A 1 170 ? 50.681 15.619 46.999 1.00 26.23 ? 232 LEU A CA 1 ATOM 1359 C C . LEU A 1 170 ? 51.555 15.860 45.777 1.00 26.64 ? 232 LEU A C 1 ATOM 1360 O O . LEU A 1 170 ? 52.369 16.792 45.757 1.00 26.94 ? 232 LEU A O 1 ATOM 1361 C CB . LEU A 1 170 ? 49.544 16.635 46.972 1.00 25.74 ? 232 LEU A CB 1 ATOM 1362 C CG . LEU A 1 170 ? 48.396 16.298 47.959 1.00 27.94 ? 232 LEU A CG 1 ATOM 1363 C CD1 . LEU A 1 170 ? 47.476 17.512 48.204 1.00 27.11 ? 232 LEU A CD1 1 ATOM 1364 C CD2 . LEU A 1 170 ? 47.622 15.142 47.408 1.00 27.09 ? 232 LEU A CD2 1 ATOM 1365 N N . ILE A 1 171 ? 51.365 15.021 44.788 1.00 25.16 ? 233 ILE A N 1 ATOM 1366 C CA . ILE A 1 171 ? 51.978 15.186 43.476 1.00 27.29 ? 233 ILE A CA 1 ATOM 1367 C C . ILE A 1 171 ? 50.847 15.554 42.516 1.00 27.85 ? 233 ILE A C 1 ATOM 1368 O O . ILE A 1 171 ? 49.874 14.814 42.375 1.00 27.10 ? 233 ILE A O 1 ATOM 1369 C CB . ILE A 1 171 ? 52.704 13.910 43.017 1.00 27.48 ? 233 ILE A CB 1 ATOM 1370 C CG1 . ILE A 1 171 ? 53.806 13.530 44.030 1.00 27.53 ? 233 ILE A CG1 1 ATOM 1371 C CG2 . ILE A 1 171 ? 53.263 14.139 41.596 1.00 27.36 ? 233 ILE A CG2 1 ATOM 1372 C CD1 . ILE A 1 171 ? 54.509 12.166 43.752 1.00 27.79 ? 233 ILE A CD1 1 ATOM 1373 N N . HIS A 1 172 ? 50.993 16.692 41.855 1.00 27.03 ? 234 HIS A N 1 ATOM 1374 C CA . HIS A 1 172 ? 49.868 17.294 41.162 1.00 29.67 ? 234 HIS A CA 1 ATOM 1375 C C . HIS A 1 172 ? 50.303 18.126 39.957 1.00 29.47 ? 234 HIS A C 1 ATOM 1376 O O . HIS A 1 172 ? 51.480 18.511 39.834 1.00 27.94 ? 234 HIS A O 1 ATOM 1377 C CB . HIS A 1 172 ? 49.114 18.181 42.158 1.00 27.44 ? 234 HIS A CB 1 ATOM 1378 C CG . HIS A 1 172 ? 49.988 19.210 42.816 1.00 29.16 ? 234 HIS A CG 1 ATOM 1379 N ND1 . HIS A 1 172 ? 50.175 20.481 42.306 1.00 30.53 ? 234 HIS A ND1 1 ATOM 1380 C CD2 . HIS A 1 172 ? 50.764 19.131 43.921 1.00 28.21 ? 234 HIS A CD2 1 ATOM 1381 C CE1 . HIS A 1 172 ? 51.025 21.139 43.074 1.00 30.22 ? 234 HIS A CE1 1 ATOM 1382 N NE2 . HIS A 1 172 ? 51.377 20.344 44.073 1.00 29.89 ? 234 HIS A NE2 1 ATOM 1383 N N . PRO A 1 173 ? 49.349 18.450 39.073 1.00 31.81 ? 235 PRO A N 1 ATOM 1384 C CA . PRO A 1 173 ? 49.732 19.311 37.950 1.00 32.41 ? 235 PRO A CA 1 ATOM 1385 C C . PRO A 1 173 ? 50.283 20.641 38.488 1.00 32.75 ? 235 PRO A C 1 ATOM 1386 O O . PRO A 1 173 ? 49.851 21.145 39.538 1.00 31.13 ? 235 PRO A O 1 ATOM 1387 C CB . PRO A 1 173 ? 48.429 19.490 37.155 1.00 32.78 ? 235 PRO A CB 1 ATOM 1388 C CG . PRO A 1 173 ? 47.613 18.292 37.499 1.00 33.66 ? 235 PRO A CG 1 ATOM 1389 C CD . PRO A 1 173 ? 47.957 17.962 38.955 1.00 33.45 ? 235 PRO A CD 1 ATOM 1390 N N . ASN A 1 174 ? 51.296 21.145 37.802 1.00 33.51 ? 236 ASN A N 1 ATOM 1391 C CA . ASN A 1 174 ? 52.083 22.217 38.352 1.00 35.13 ? 236 ASN A CA 1 ATOM 1392 C C . ASN A 1 174 ? 51.343 23.536 38.387 1.00 33.57 ? 236 ASN A C 1 ATOM 1393 O O . ASN A 1 174 ? 51.793 24.450 39.055 1.00 38.59 ? 236 ASN A O 1 ATOM 1394 C CB . ASN A 1 174 ? 53.460 22.346 37.676 1.00 37.10 ? 236 ASN A CB 1 ATOM 1395 C CG . ASN A 1 174 ? 53.379 22.751 36.237 1.00 37.47 ? 236 ASN A CG 1 ATOM 1396 O OD1 . ASN A 1 174 ? 52.372 23.290 35.789 1.00 39.19 ? 236 ASN A OD1 1 ATOM 1397 N ND2 . ASN A 1 174 ? 54.458 22.497 35.485 1.00 37.13 ? 236 ASN A ND2 1 ATOM 1398 N N . ASN A 1 175 ? 50.208 23.645 37.713 1.00 36.19 ? 237 ASN A N 1 ATOM 1399 C CA . ASN A 1 175 ? 49.468 24.910 37.744 1.00 38.10 ? 237 ASN A CA 1 ATOM 1400 C C . ASN A 1 175 ? 48.272 24.837 38.682 1.00 36.29 ? 237 ASN A C 1 ATOM 1401 O O . ASN A 1 175 ? 47.466 25.740 38.691 1.00 36.37 ? 237 ASN A O 1 ATOM 1402 C CB . ASN A 1 175 ? 49.069 25.356 36.322 1.00 39.47 ? 237 ASN A CB 1 ATOM 1403 C CG . ASN A 1 175 ? 48.061 24.428 35.660 1.00 40.74 ? 237 ASN A CG 1 ATOM 1404 O OD1 . ASN A 1 175 ? 47.823 23.286 36.088 1.00 40.59 ? 237 ASN A OD1 1 ATOM 1405 N ND2 . ASN A 1 175 ? 47.482 24.914 34.590 1.00 44.07 ? 237 ASN A ND2 1 ATOM 1406 N N . LEU A 1 176 ? 48.168 23.764 39.463 1.00 34.26 ? 238 LEU A N 1 ATOM 1407 C CA . LEU A 1 176 ? 47.114 23.644 40.473 1.00 32.96 ? 238 LEU A CA 1 ATOM 1408 C C . LEU A 1 176 ? 47.642 23.808 41.877 1.00 34.86 ? 238 LEU A C 1 ATOM 1409 O O . LEU A 1 176 ? 48.835 23.670 42.128 1.00 36.54 ? 238 LEU A O 1 ATOM 1410 C CB . LEU A 1 176 ? 46.428 22.292 40.373 1.00 32.79 ? 238 LEU A CB 1 ATOM 1411 C CG . LEU A 1 176 ? 45.797 21.978 39.012 1.00 36.32 ? 238 LEU A CG 1 ATOM 1412 C CD1 . LEU A 1 176 ? 45.073 20.647 39.099 1.00 34.17 ? 238 LEU A CD1 1 ATOM 1413 C CD2 . LEU A 1 176 ? 44.861 23.060 38.542 1.00 36.67 ? 238 LEU A CD2 1 ATOM 1414 N N . THR A 1 177 ? 46.731 24.066 42.806 1.00 31.22 ? 239 THR A N 1 ATOM 1415 C CA . THR A 1 177 ? 47.080 24.237 44.212 1.00 31.47 ? 239 THR A CA 1 ATOM 1416 C C . THR A 1 177 ? 46.745 22.987 45.010 1.00 30.63 ? 239 THR A C 1 ATOM 1417 O O . THR A 1 177 ? 45.714 22.363 44.826 1.00 28.74 ? 239 THR A O 1 ATOM 1418 C CB . THR A 1 177 ? 46.289 25.413 44.826 1.00 33.38 ? 239 THR A CB 1 ATOM 1419 O OG1 . THR A 1 177 ? 46.624 26.604 44.129 1.00 34.63 ? 239 THR A OG1 1 ATOM 1420 C CG2 . THR A 1 177 ? 46.604 25.605 46.321 1.00 34.17 ? 239 THR A CG2 1 ATOM 1421 N N . ALA A 1 178 ? 47.626 22.656 45.933 1.00 27.56 ? 240 ALA A N 1 ATOM 1422 C CA . ALA A 1 178 ? 47.469 21.502 46.767 1.00 28.70 ? 240 ALA A CA 1 ATOM 1423 C C . ALA A 1 178 ? 47.295 21.971 48.207 1.00 28.42 ? 240 ALA A C 1 ATOM 1424 O O . ALA A 1 178 ? 48.087 22.757 48.698 1.00 29.66 ? 240 ALA A O 1 ATOM 1425 C CB . ALA A 1 178 ? 48.696 20.612 46.670 1.00 27.85 ? 240 ALA A CB 1 ATOM 1426 N N . LEU A 1 179 ? 46.295 21.438 48.883 1.00 27.06 ? 241 LEU A N 1 ATOM 1427 C CA . LEU A 1 179 ? 45.999 21.772 50.281 1.00 26.59 ? 241 LEU A CA 1 ATOM 1428 C C . LEU A 1 179 ? 45.861 20.502 51.108 1.00 25.41 ? 241 LEU A C 1 ATOM 1429 O O . LEU A 1 179 ? 45.456 19.443 50.577 1.00 25.58 ? 241 LEU A O 1 ATOM 1430 C CB . LEU A 1 179 ? 44.679 22.532 50.345 1.00 26.09 ? 241 LEU A CB 1 ATOM 1431 C CG . LEU A 1 179 ? 44.596 23.829 49.589 1.00 28.08 ? 241 LEU A CG 1 ATOM 1432 C CD1 . LEU A 1 179 ? 43.134 24.285 49.570 1.00 27.96 ? 241 LEU A CD1 1 ATOM 1433 C CD2 . LEU A 1 179 ? 45.532 24.857 50.253 1.00 29.97 ? 241 LEU A CD2 1 ATOM 1434 N N . SER A 1 180 ? 46.194 20.627 52.402 1.00 23.87 ? 242 SER A N 1 ATOM 1435 C CA . SER A 1 180 ? 45.978 19.530 53.327 1.00 22.88 ? 242 SER A CA 1 ATOM 1436 C C . SER A 1 180 ? 45.718 20.122 54.712 1.00 24.39 ? 242 SER A C 1 ATOM 1437 O O . SER A 1 180 ? 45.539 21.366 54.828 1.00 25.33 ? 242 SER A O 1 ATOM 1438 C CB . SER A 1 180 ? 47.149 18.522 53.306 1.00 22.95 ? 242 SER A CB 1 ATOM 1439 O OG . SER A 1 180 ? 46.835 17.324 54.023 1.00 22.26 ? 242 SER A OG 1 ATOM 1440 N N . ASN A 1 181 ? 45.700 19.254 55.732 1.00 22.81 ? 243 ASN A N 1 ATOM 1441 C CA . ASN A 1 181 ? 45.399 19.664 57.120 1.00 25.01 ? 243 ASN A CA 1 ATOM 1442 C C . ASN A 1 181 ? 46.345 20.753 57.592 1.00 26.16 ? 243 ASN A C 1 ATOM 1443 O O . ASN A 1 181 ? 45.937 21.715 58.243 1.00 24.75 ? 243 ASN A O 1 ATOM 1444 C CB . ASN A 1 181 ? 45.523 18.466 58.066 1.00 22.35 ? 243 ASN A CB 1 ATOM 1445 C CG . ASN A 1 181 ? 44.533 17.357 57.707 1.00 24.94 ? 243 ASN A CG 1 ATOM 1446 O OD1 . ASN A 1 181 ? 44.800 16.509 56.847 1.00 22.90 ? 243 ASN A OD1 1 ATOM 1447 N ND2 . ASN A 1 181 ? 43.372 17.379 58.361 1.00 25.18 ? 243 ASN A ND2 1 ATOM 1448 N N . MET A 1 182 ? 47.620 20.567 57.248 1.00 26.06 ? 244 MET A N 1 ATOM 1449 C CA . MET A 1 182 ? 48.701 21.460 57.691 1.00 24.75 ? 244 MET A CA 1 ATOM 1450 C C . MET A 1 182 ? 49.186 22.381 56.546 1.00 23.90 ? 244 MET A C 1 ATOM 1451 O O . MET A 1 182 ? 48.871 22.157 55.388 1.00 23.87 ? 244 MET A O 1 ATOM 1452 C CB . MET A 1 182 ? 49.879 20.646 58.194 1.00 23.30 ? 244 MET A CB 1 ATOM 1453 C CG . MET A 1 182 ? 49.590 19.731 59.373 1.00 25.78 ? 244 MET A CG 1 ATOM 1454 S SD . MET A 1 182 ? 49.068 20.712 60.807 1.00 30.30 ? 244 MET A SD 1 ATOM 1455 C CE . MET A 1 182 ? 50.587 21.418 61.359 1.00 30.64 ? 244 MET A CE 1 ATOM 1456 N N . PRO A 1 183 ? 49.926 23.447 56.887 1.00 25.90 ? 245 PRO A N 1 ATOM 1457 C CA . PRO A 1 183 ? 50.491 24.259 55.821 1.00 27.59 ? 245 PRO A CA 1 ATOM 1458 C C . PRO A 1 183 ? 51.553 23.481 55.030 1.00 29.21 ? 245 PRO A C 1 ATOM 1459 O O . PRO A 1 183 ? 52.176 22.534 55.553 1.00 27.10 ? 245 PRO A O 1 ATOM 1460 C CB . PRO A 1 183 ? 51.174 25.452 56.546 1.00 30.69 ? 245 PRO A CB 1 ATOM 1461 C CG . PRO A 1 183 ? 50.742 25.390 57.968 1.00 29.79 ? 245 PRO A CG 1 ATOM 1462 C CD . PRO A 1 183 ? 50.225 23.979 58.230 1.00 27.17 ? 245 PRO A CD 1 ATOM 1463 N N . PRO A 1 184 ? 51.752 23.885 53.770 1.00 29.93 ? 246 PRO A N 1 ATOM 1464 C CA . PRO A 1 184 ? 52.856 23.353 52.996 1.00 29.72 ? 246 PRO A CA 1 ATOM 1465 C C . PRO A 1 184 ? 54.167 23.672 53.687 1.00 31.74 ? 246 PRO A C 1 ATOM 1466 O O . PRO A 1 184 ? 54.299 24.705 54.335 1.00 32.09 ? 246 PRO A O 1 ATOM 1467 C CB . PRO A 1 184 ? 52.760 24.087 51.648 1.00 30.65 ? 246 PRO A CB 1 ATOM 1468 C CG . PRO A 1 184 ? 51.880 25.263 51.884 1.00 33.40 ? 246 PRO A CG 1 ATOM 1469 C CD . PRO A 1 184 ? 51.021 24.965 53.076 1.00 31.81 ? 246 PRO A CD 1 ATOM 1470 N N . LYS A 1 185 ? 55.145 22.802 53.550 1.00 30.66 ? 247 LYS A N 1 ATOM 1471 C CA . LYS A 1 185 ? 56.449 23.093 54.117 1.00 35.78 ? 247 LYS A CA 1 ATOM 1472 C C . LYS A 1 185 ? 57.154 24.208 53.409 1.00 37.04 ? 247 LYS A C 1 ATOM 1473 O O . LYS A 1 185 ? 57.953 24.910 54.016 1.00 40.85 ? 247 LYS A O 1 ATOM 1474 C CB . LYS A 1 185 ? 57.384 21.893 54.072 1.00 37.99 ? 247 LYS A CB 1 ATOM 1475 C CG . LYS A 1 185 ? 56.934 20.741 54.894 1.00 37.42 ? 247 LYS A CG 1 ATOM 1476 C CD . LYS A 1 185 ? 58.115 20.277 55.724 1.00 40.24 ? 247 LYS A CD 1 ATOM 1477 C CE . LYS A 1 185 ? 58.820 19.199 55.002 1.00 41.54 ? 247 LYS A CE 1 ATOM 1478 N NZ . LYS A 1 185 ? 59.997 18.873 55.863 1.00 44.15 ? 247 LYS A NZ 1 ATOM 1479 N N . GLY A 1 186 ? 56.883 24.389 52.132 1.00 39.39 ? 248 GLY A N 1 ATOM 1480 C CA . GLY A 1 186 ? 57.550 25.458 51.400 1.00 40.39 ? 248 GLY A CA 1 ATOM 1481 C C . GLY A 1 186 ? 56.989 25.412 50.008 1.00 43.12 ? 248 GLY A C 1 ATOM 1482 O O . GLY A 1 186 ? 55.944 24.792 49.755 1.00 37.46 ? 248 GLY A O 1 ATOM 1483 N N . SER A 1 187 ? 57.698 26.042 49.082 1.00 44.55 ? 249 SER A N 1 ATOM 1484 C CA . SER A 1 187 ? 57.289 26.026 47.695 1.00 42.73 ? 249 SER A CA 1 ATOM 1485 C C . SER A 1 187 ? 57.291 24.602 47.172 1.00 37.64 ? 249 SER A C 1 ATOM 1486 O O . SER A 1 187 ? 58.016 23.735 47.648 1.00 40.53 ? 249 SER A O 1 ATOM 1487 C CB . SER A 1 187 ? 58.189 26.928 46.847 1.00 45.67 ? 249 SER A CB 1 ATOM 1488 O OG . SER A 1 187 ? 57.723 28.270 46.955 1.00 52.20 ? 249 SER A OG 1 ATOM 1489 N N . SER A 1 188 ? 56.397 24.377 46.232 1.00 38.05 ? 250 SER A N 1 ATOM 1490 C CA . SER A 1 188 ? 56.320 23.133 45.469 1.00 38.18 ? 250 SER A CA 1 ATOM 1491 C C . SER A 1 188 ? 57.571 22.982 44.648 1.00 37.96 ? 250 SER A C 1 ATOM 1492 O O . SER A 1 188 ? 58.170 23.977 44.274 1.00 41.11 ? 250 SER A O 1 ATOM 1493 C CB . SER A 1 188 ? 55.132 23.240 44.531 1.00 37.66 ? 250 SER A CB 1 ATOM 1494 O OG . SER A 1 188 ? 53.987 23.198 45.365 1.00 42.38 ? 250 SER A OG 1 ATOM 1495 N N . THR A 1 189 ? 57.957 21.751 44.343 1.00 36.83 ? 251 THR A N 1 ATOM 1496 C CA . THR A 1 189 ? 59.136 21.538 43.497 1.00 39.15 ? 251 THR A CA 1 ATOM 1497 C C . THR A 1 189 ? 58.754 20.633 42.315 1.00 36.67 ? 251 THR A C 1 ATOM 1498 O O . THR A 1 189 ? 57.784 19.899 42.411 1.00 35.81 ? 251 THR A O 1 ATOM 1499 C CB . THR A 1 189 ? 60.245 20.928 44.339 1.00 41.61 ? 251 THR A CB 1 ATOM 1500 O OG1 . THR A 1 189 ? 59.740 19.778 45.007 1.00 42.22 ? 251 THR A OG1 1 ATOM 1501 C CG2 . THR A 1 189 ? 60.735 21.944 45.398 1.00 46.27 ? 251 THR A CG2 1 ATOM 1502 N N . PRO A 1 190 ? 59.478 20.718 41.178 1.00 37.30 ? 252 PRO A N 1 ATOM 1503 C CA . PRO A 1 190 ? 59.064 19.895 40.018 1.00 37.00 ? 252 PRO A CA 1 ATOM 1504 C C . PRO A 1 190 ? 59.256 18.413 40.270 1.00 35.32 ? 252 PRO A C 1 ATOM 1505 O O . PRO A 1 190 ? 60.204 18.017 40.934 1.00 38.78 ? 252 PRO A O 1 ATOM 1506 C CB . PRO A 1 190 ? 59.985 20.330 38.876 1.00 35.74 ? 252 PRO A CB 1 ATOM 1507 C CG . PRO A 1 190 ? 60.893 21.375 39.424 1.00 43.80 ? 252 PRO A CG 1 ATOM 1508 C CD . PRO A 1 190 ? 60.522 21.699 40.852 1.00 41.37 ? 252 PRO A CD 1 ATOM 1509 N N . LEU A 1 191 ? 58.363 17.594 39.735 1.00 35.58 ? 253 LEU A N 1 ATOM 1510 C CA . LEU A 1 191 ? 58.555 16.153 39.767 1.00 34.36 ? 253 LEU A CA 1 ATOM 1511 C C . LEU A 1 191 ? 59.611 15.827 38.699 1.00 38.76 ? 253 LEU A C 1 ATOM 1512 O O . LEU A 1 191 ? 59.429 16.121 37.513 1.00 35.46 ? 253 LEU A O 1 ATOM 1513 C CB . LEU A 1 191 ? 57.237 15.442 39.494 1.00 36.05 ? 253 LEU A CB 1 ATOM 1514 C CG . LEU A 1 191 ? 57.229 13.917 39.455 1.00 36.66 ? 253 LEU A CG 1 ATOM 1515 C CD1 . LEU A 1 191 ? 57.505 13.377 40.852 1.00 38.38 ? 253 LEU A CD1 1 ATOM 1516 C CD2 . LEU A 1 191 ? 55.928 13.360 38.861 1.00 39.47 ? 253 LEU A CD2 1 ATOM 1517 N N . ALA A 1 192 ? 60.730 15.259 39.110 1.00 41.68 ? 254 ALA A N 1 ATOM 1518 C CA . ALA A 1 192 ? 61.840 15.055 38.171 1.00 46.77 ? 254 ALA A CA 1 ATOM 1519 C C . ALA A 1 192 ? 61.487 14.152 36.999 1.00 45.79 ? 254 ALA A C 1 ATOM 1520 O O . ALA A 1 192 ? 62.009 14.339 35.902 1.00 44.11 ? 254 ALA A O 1 ATOM 1521 C CB . ALA A 1 192 ? 63.076 14.519 38.879 1.00 43.64 ? 254 ALA A CB 1 ATOM 1522 N N . GLU A 1 193 ? 60.633 13.156 37.218 1.00 48.69 ? 255 GLU A N 1 ATOM 1523 C CA . GLU A 1 193 ? 60.273 12.240 36.126 1.00 45.74 ? 255 GLU A CA 1 ATOM 1524 C C . GLU A 1 193 ? 59.344 12.890 35.100 1.00 43.30 ? 255 GLU A C 1 ATOM 1525 O O . GLU A 1 193 ? 59.281 12.432 33.975 1.00 45.95 ? 255 GLU A O 1 ATOM 1526 C CB . GLU A 1 193 ? 59.626 10.963 36.650 1.00 54.91 ? 255 GLU A CB 1 ATOM 1527 C CG . GLU A 1 193 ? 60.406 10.274 37.755 1.00 54.66 ? 255 GLU A CG 1 ATOM 1528 C CD . GLU A 1 193 ? 59.850 10.610 39.130 1.00 65.11 ? 255 GLU A CD 1 ATOM 1529 O OE1 . GLU A 1 193 ? 58.910 9.879 39.605 1.00 69.04 ? 255 GLU A OE1 1 ATOM 1530 O OE2 . GLU A 1 193 ? 60.341 11.618 39.716 1.00 53.09 ? 255 GLU A OE2 1 ATOM 1531 N N . ASP A 1 194 ? 58.609 13.921 35.510 1.00 43.39 ? 256 ASP A N 1 ATOM 1532 C CA . ASP A 1 194 ? 57.793 14.734 34.590 1.00 41.25 ? 256 ASP A CA 1 ATOM 1533 C C . ASP A 1 194 ? 57.523 16.102 35.265 1.00 36.60 ? 256 ASP A C 1 ATOM 1534 O O . ASP A 1 194 ? 56.649 16.213 36.100 1.00 33.60 ? 256 ASP A O 1 ATOM 1535 C CB . ASP A 1 194 ? 56.490 13.983 34.268 1.00 41.23 ? 256 ASP A CB 1 ATOM 1536 C CG . ASP A 1 194 ? 55.568 14.736 33.321 1.00 42.07 ? 256 ASP A CG 1 ATOM 1537 O OD1 . ASP A 1 194 ? 55.812 15.920 33.019 1.00 39.26 ? 256 ASP A OD1 1 ATOM 1538 O OD2 . ASP A 1 194 ? 54.552 14.124 32.906 1.00 43.54 ? 256 ASP A OD2 1 ATOM 1539 N N . PRO A 1 195 ? 58.301 17.142 34.923 1.00 39.78 ? 257 PRO A N 1 ATOM 1540 C CA . PRO A 1 195 ? 58.092 18.497 35.514 1.00 38.07 ? 257 PRO A CA 1 ATOM 1541 C C . PRO A 1 195 ? 56.797 19.212 35.161 1.00 37.23 ? 257 PRO A C 1 ATOM 1542 O O . PRO A 1 195 ? 56.606 20.327 35.628 1.00 35.34 ? 257 PRO A O 1 ATOM 1543 C CB . PRO A 1 195 ? 59.258 19.335 34.985 1.00 37.29 ? 257 PRO A CB 1 ATOM 1544 C CG . PRO A 1 195 ? 60.159 18.413 34.273 1.00 38.97 ? 257 PRO A CG 1 ATOM 1545 C CD . PRO A 1 195 ? 59.561 17.037 34.178 1.00 39.05 ? 257 PRO A CD 1 ATOM 1546 N N . ASN A 1 196 ? 55.920 18.619 34.340 1.00 35.88 ? 258 ASN A N 1 ATOM 1547 C CA . ASN A 1 196 ? 54.550 19.136 34.247 1.00 38.08 ? 258 ASN A CA 1 ATOM 1548 C C . ASN A 1 196 ? 53.825 18.954 35.564 1.00 35.35 ? 258 ASN A C 1 ATOM 1549 O O . ASN A 1 196 ? 52.781 19.572 35.787 1.00 32.88 ? 258 ASN A O 1 ATOM 1550 C CB . ASN A 1 196 ? 53.734 18.418 33.190 1.00 39.04 ? 258 ASN A CB 1 ATOM 1551 C CG . ASN A 1 196 ? 54.145 18.774 31.798 1.00 41.35 ? 258 ASN A CG 1 ATOM 1552 O OD1 . ASN A 1 196 ? 54.581 19.882 31.522 1.00 40.71 ? 258 ASN A OD1 1 ATOM 1553 N ND2 . ASN A 1 196 ? 53.965 17.838 30.899 1.00 46.66 ? 258 ASN A ND2 1 ATOM 1554 N N . TRP A 1 197 ? 54.370 18.074 36.396 1.00 31.08 ? 259 TRP A N 1 ATOM 1555 C CA . TRP A 1 197 ? 53.875 17.866 37.754 1.00 33.50 ? 259 TRP A CA 1 ATOM 1556 C C . TRP A 1 197 ? 54.795 18.507 38.781 1.00 33.39 ? 259 TRP A C 1 ATOM 1557 O O . TRP A 1 197 ? 56.020 18.631 38.589 1.00 30.07 ? 259 TRP A O 1 ATOM 1558 C CB . TRP A 1 197 ? 53.788 16.368 38.082 1.00 31.34 ? 259 TRP A CB 1 ATOM 1559 C CG . TRP A 1 197 ? 52.930 15.560 37.209 1.00 33.84 ? 259 TRP A CG 1 ATOM 1560 C CD1 . TRP A 1 197 ? 53.183 15.191 35.908 1.00 34.53 ? 259 TRP A CD1 1 ATOM 1561 C CD2 . TRP A 1 197 ? 51.694 14.940 37.574 1.00 31.84 ? 259 TRP A CD2 1 ATOM 1562 N NE1 . TRP A 1 197 ? 52.163 14.394 35.450 1.00 33.50 ? 259 TRP A NE1 1 ATOM 1563 C CE2 . TRP A 1 197 ? 51.234 14.232 36.446 1.00 33.51 ? 259 TRP A CE2 1 ATOM 1564 C CE3 . TRP A 1 197 ? 50.915 14.933 38.749 1.00 31.39 ? 259 TRP A CE3 1 ATOM 1565 C CZ2 . TRP A 1 197 ? 50.040 13.504 36.451 1.00 34.57 ? 259 TRP A CZ2 1 ATOM 1566 C CZ3 . TRP A 1 197 ? 49.725 14.193 38.759 1.00 30.18 ? 259 TRP A CZ3 1 ATOM 1567 C CH2 . TRP A 1 197 ? 49.307 13.487 37.626 1.00 35.67 ? 259 TRP A CH2 1 ATOM 1568 N N . SER A 1 198 ? 54.187 18.884 39.900 1.00 31.90 ? 260 SER A N 1 ATOM 1569 C CA . SER A 1 198 ? 54.885 19.409 41.042 1.00 31.40 ? 260 SER A CA 1 ATOM 1570 C C . SER A 1 198 ? 54.596 18.584 42.307 1.00 31.48 ? 260 SER A C 1 ATOM 1571 O O . SER A 1 198 ? 53.638 17.801 42.365 1.00 29.98 ? 260 SER A O 1 ATOM 1572 C CB . SER A 1 198 ? 54.516 20.896 41.241 1.00 35.53 ? 260 SER A CB 1 ATOM 1573 O OG . SER A 1 198 ? 55.089 21.630 40.166 1.00 35.92 ? 260 SER A OG 1 ATOM 1574 N N . VAL A 1 199 ? 55.459 18.763 43.298 1.00 29.95 ? 261 VAL A N 1 ATOM 1575 C CA . VAL A 1 199 ? 55.391 18.047 44.540 1.00 30.12 ? 261 VAL A CA 1 ATOM 1576 C C . VAL A 1 199 ? 55.243 19.057 45.684 1.00 32.07 ? 261 VAL A C 1 ATOM 1577 O O . VAL A 1 199 ? 56.088 19.924 45.834 1.00 31.53 ? 261 VAL A O 1 ATOM 1578 C CB . VAL A 1 199 ? 56.673 17.234 44.779 1.00 31.85 ? 261 VAL A CB 1 ATOM 1579 C CG1 . VAL A 1 199 ? 56.576 16.428 46.075 1.00 29.69 ? 261 VAL A CG1 1 ATOM 1580 C CG2 . VAL A 1 199 ? 56.990 16.313 43.591 1.00 31.61 ? 261 VAL A CG2 1 ATOM 1581 N N . THR A 1 200 ? 54.171 18.912 46.469 1.00 30.27 ? 262 THR A N 1 ATOM 1582 C CA . THR A 1 200 ? 53.890 19.754 47.612 1.00 29.65 ? 262 THR A CA 1 ATOM 1583 C C . THR A 1 200 ? 53.875 18.862 48.841 1.00 26.93 ? 262 THR A C 1 ATOM 1584 O O . THR A 1 200 ? 53.093 17.931 48.960 1.00 27.75 ? 262 THR A O 1 ATOM 1585 C CB . THR A 1 200 ? 52.565 20.506 47.496 1.00 30.94 ? 262 THR A CB 1 ATOM 1586 O OG1 . THR A 1 200 ? 52.582 21.299 46.311 1.00 29.90 ? 262 THR A OG1 1 ATOM 1587 C CG2 . THR A 1 200 ? 52.404 21.420 48.692 1.00 28.32 ? 262 THR A CG2 1 ATOM 1588 N N . GLU A 1 201 ? 54.797 19.160 49.731 1.00 28.20 ? 263 GLU A N 1 ATOM 1589 C CA . GLU A 1 201 ? 54.903 18.488 51.016 1.00 29.89 ? 263 GLU A CA 1 ATOM 1590 C C . GLU A 1 201 ? 54.308 19.384 52.109 1.00 27.64 ? 263 GLU A C 1 ATOM 1591 O O . GLU A 1 201 ? 54.493 20.602 52.079 1.00 27.53 ? 263 GLU A O 1 ATOM 1592 C CB . GLU A 1 201 ? 56.356 18.298 51.386 1.00 32.02 ? 263 GLU A CB 1 ATOM 1593 C CG . GLU A 1 201 ? 57.212 17.458 50.466 1.00 36.08 ? 263 GLU A CG 1 ATOM 1594 C CD . GLU A 1 201 ? 58.634 17.421 51.016 1.00 40.81 ? 263 GLU A CD 1 ATOM 1595 O OE1 . GLU A 1 201 ? 59.420 18.340 50.772 1.00 46.36 ? 263 GLU A OE1 1 ATOM 1596 O OE2 . GLU A 1 201 ? 58.961 16.529 51.773 1.00 42.09 ? 263 GLU A OE2 1 ATOM 1597 N N . PHE A 1 202 ? 53.642 18.765 53.075 1.00 27.32 ? 264 PHE A N 1 ATOM 1598 C CA . PHE A 1 202 ? 52.976 19.481 54.146 1.00 27.79 ? 264 PHE A CA 1 ATOM 1599 C C . PHE A 1 202 ? 53.686 19.210 55.482 1.00 27.16 ? 264 PHE A C 1 ATOM 1600 O O . PHE A 1 202 ? 54.298 18.165 55.713 1.00 26.91 ? 264 PHE A O 1 ATOM 1601 C CB . PHE A 1 202 ? 51.512 19.049 54.182 1.00 25.67 ? 264 PHE A CB 1 ATOM 1602 C CG . PHE A 1 202 ? 50.775 19.398 52.930 1.00 27.41 ? 264 PHE A CG 1 ATOM 1603 C CD1 . PHE A 1 202 ? 50.293 20.690 52.733 1.00 26.18 ? 264 PHE A CD1 1 ATOM 1604 C CD2 . PHE A 1 202 ? 50.625 18.474 51.901 1.00 26.47 ? 264 PHE A CD2 1 ATOM 1605 C CE1 . PHE A 1 202 ? 49.621 21.039 51.573 1.00 27.03 ? 264 PHE A CE1 1 ATOM 1606 C CE2 . PHE A 1 202 ? 49.977 18.828 50.724 1.00 25.96 ? 264 PHE A CE2 1 ATOM 1607 C CZ . PHE A 1 202 ? 49.469 20.110 50.563 1.00 27.08 ? 264 PHE A CZ 1 ATOM 1608 N N . GLU A 1 203 ? 53.614 20.157 56.389 1.00 27.91 ? 265 GLU A N 1 ATOM 1609 C CA . GLU A 1 203 ? 54.145 19.942 57.732 1.00 28.40 ? 265 GLU A CA 1 ATOM 1610 C C . GLU A 1 203 ? 53.423 18.757 58.420 1.00 25.04 ? 265 GLU A C 1 ATOM 1611 O O . GLU A 1 203 ? 52.272 18.447 58.135 1.00 25.58 ? 265 GLU A O 1 ATOM 1612 C CB . GLU A 1 203 ? 53.983 21.236 58.543 1.00 27.08 ? 265 GLU A CB 1 ATOM 1613 C CG . GLU A 1 203 ? 54.608 22.454 57.872 1.00 31.85 ? 265 GLU A CG 1 ATOM 1614 C CD . GLU A 1 203 ? 56.108 22.639 58.134 1.00 39.80 ? 265 GLU A CD 1 ATOM 1615 O OE1 . GLU A 1 203 ? 56.660 23.719 57.757 1.00 43.82 ? 265 GLU A OE1 1 ATOM 1616 O OE2 . GLU A 1 203 ? 56.754 21.739 58.748 1.00 40.31 ? 265 GLU A OE2 1 ATOM 1617 N N . THR A 1 204 ? 54.131 18.122 59.332 1.00 24.65 ? 266 THR A N 1 ATOM 1618 C CA . THR A 1 204 ? 53.611 16.977 60.101 1.00 26.38 ? 266 THR A CA 1 ATOM 1619 C C . THR A 1 204 ? 52.360 17.412 60.892 1.00 25.84 ? 266 THR A C 1 ATOM 1620 O O . THR A 1 204 ? 52.382 18.486 61.528 1.00 26.06 ? 266 THR A O 1 ATOM 1621 C CB . THR A 1 204 ? 54.674 16.541 61.108 1.00 28.96 ? 266 THR A CB 1 ATOM 1622 O OG1 . THR A 1 204 ? 55.902 16.241 60.420 1.00 26.56 ? 266 THR A OG1 1 ATOM 1623 C CG2 . THR A 1 204 ? 54.192 15.320 61.933 1.00 28.34 ? 266 THR A CG2 1 ATOM 1624 N N . THR A 1 205 ? 51.282 16.627 60.799 1.00 25.25 ? 267 THR A N 1 ATOM 1625 C CA . THR A 1 205 ? 50.070 16.912 61.609 1.00 25.69 ? 267 THR A CA 1 ATOM 1626 C C . THR A 1 205 ? 50.359 16.705 63.094 1.00 25.18 ? 267 THR A C 1 ATOM 1627 O O . THR A 1 205 ? 51.299 15.997 63.445 1.00 23.83 ? 267 THR A O 1 ATOM 1628 C CB . THR A 1 205 ? 48.879 16.006 61.213 1.00 24.10 ? 267 THR A CB 1 ATOM 1629 O OG1 . THR A 1 205 ? 49.123 14.638 61.580 1.00 23.12 ? 267 THR A OG1 1 ATOM 1630 C CG2 . THR A 1 205 ? 48.649 16.060 59.726 1.00 25.93 ? 267 THR A CG2 1 ATOM 1631 N N . PRO A 1 206 ? 49.502 17.244 63.978 1.00 24.97 ? 268 PRO A N 1 ATOM 1632 C CA . PRO A 1 206 ? 49.536 16.704 65.334 1.00 24.89 ? 268 PRO A CA 1 ATOM 1633 C C . PRO A 1 206 ? 49.058 15.246 65.325 1.00 23.90 ? 268 PRO A C 1 ATOM 1634 O O . PRO A 1 206 ? 48.546 14.757 64.313 1.00 24.21 ? 268 PRO A O 1 ATOM 1635 C CB . PRO A 1 206 ? 48.512 17.569 66.103 1.00 24.22 ? 268 PRO A CB 1 ATOM 1636 C CG . PRO A 1 206 ? 48.283 18.763 65.208 1.00 26.75 ? 268 PRO A CG 1 ATOM 1637 C CD . PRO A 1 206 ? 48.442 18.240 63.804 1.00 26.88 ? 268 PRO A CD 1 ATOM 1638 N N . VAL A 1 207 ? 49.193 14.592 66.469 1.00 23.65 ? 269 VAL A N 1 ATOM 1639 C CA . VAL A 1 207 ? 48.612 13.274 66.651 1.00 24.67 ? 269 VAL A CA 1 ATOM 1640 C C . VAL A 1 207 ? 47.105 13.433 66.414 1.00 23.94 ? 269 VAL A C 1 ATOM 1641 O O . VAL A 1 207 ? 46.472 14.291 67.039 1.00 23.34 ? 269 VAL A O 1 ATOM 1642 C CB . VAL A 1 207 ? 48.942 12.747 68.071 1.00 26.45 ? 269 VAL A CB 1 ATOM 1643 C CG1 . VAL A 1 207 ? 48.167 11.476 68.453 1.00 26.31 ? 269 VAL A CG1 1 ATOM 1644 C CG2 . VAL A 1 207 ? 50.452 12.502 68.202 1.00 26.56 ? 269 VAL A CG2 1 ATOM 1645 N N . MET A 1 208 ? 46.556 12.629 65.503 1.00 22.51 ? 270 MET A N 1 ATOM 1646 C CA . MET A 1 208 ? 45.164 12.808 65.051 1.00 22.66 ? 270 MET A CA 1 ATOM 1647 C C . MET A 1 208 ? 44.615 11.515 64.445 1.00 22.73 ? 270 MET A C 1 ATOM 1648 O O . MET A 1 208 ? 45.358 10.563 64.169 1.00 22.55 ? 270 MET A O 1 ATOM 1649 C CB . MET A 1 208 ? 45.092 13.923 64.001 1.00 20.52 ? 270 MET A CB 1 ATOM 1650 C CG . MET A 1 208 ? 45.722 13.582 62.674 1.00 21.91 ? 270 MET A CG 1 ATOM 1651 S SD . MET A 1 208 ? 45.570 14.964 61.498 1.00 24.56 ? 270 MET A SD 1 ATOM 1652 C CE . MET A 1 208 ? 43.832 14.833 61.116 1.00 23.70 ? 270 MET A CE 1 ATOM 1653 N N . SER A 1 209 ? 43.306 11.528 64.225 1.00 22.09 ? 271 SER A N 1 ATOM 1654 C CA . SER A 1 209 ? 42.585 10.401 63.735 1.00 22.66 ? 271 SER A CA 1 ATOM 1655 C C . SER A 1 209 ? 42.591 10.430 62.201 1.00 21.39 ? 271 SER A C 1 ATOM 1656 O O . SER A 1 209 ? 42.456 11.488 61.562 1.00 21.25 ? 271 SER A O 1 ATOM 1657 C CB . SER A 1 209 ? 41.129 10.476 64.213 1.00 23.50 ? 271 SER A CB 1 ATOM 1658 O OG . SER A 1 209 ? 41.011 10.444 65.626 1.00 22.00 ? 271 SER A OG 1 ATOM 1659 N N . THR A 1 210 ? 42.636 9.238 61.630 1.00 22.00 ? 272 THR A N 1 ATOM 1660 C CA . THR A 1 210 ? 42.537 9.059 60.174 1.00 21.95 ? 272 THR A CA 1 ATOM 1661 C C . THR A 1 210 ? 41.283 9.668 59.555 1.00 22.68 ? 272 THR A C 1 ATOM 1662 O O . THR A 1 210 ? 41.361 10.159 58.418 1.00 21.73 ? 272 THR A O 1 ATOM 1663 C CB . THR A 1 210 ? 42.576 7.572 59.754 1.00 22.51 ? 272 THR A CB 1 ATOM 1664 O OG1 . THR A 1 210 ? 41.587 6.821 60.471 1.00 21.75 ? 272 THR A OG1 1 ATOM 1665 C CG2 . THR A 1 210 ? 43.970 6.995 59.997 1.00 22.25 ? 272 THR A CG2 1 ATOM 1666 N N . TYR A 1 211 ? 40.140 9.638 60.279 1.00 22.98 ? 273 TYR A N 1 ATOM 1667 C CA . TYR A 1 211 ? 38.891 10.120 59.657 1.00 22.99 ? 273 TYR A CA 1 ATOM 1668 C C . TYR A 1 211 ? 38.900 11.644 59.473 1.00 21.51 ? 273 TYR A C 1 ATOM 1669 O O . TYR A 1 211 ? 38.017 12.185 58.814 1.00 23.44 ? 273 TYR A O 1 ATOM 1670 C CB . TYR A 1 211 ? 37.619 9.644 60.385 1.00 22.83 ? 273 TYR A CB 1 ATOM 1671 C CG . TYR A 1 211 ? 37.242 10.476 61.612 1.00 22.46 ? 273 TYR A CG 1 ATOM 1672 C CD1 . TYR A 1 211 ? 37.717 10.115 62.856 1.00 23.86 ? 273 TYR A CD1 1 ATOM 1673 C CD2 . TYR A 1 211 ? 36.358 11.583 61.526 1.00 23.73 ? 273 TYR A CD2 1 ATOM 1674 C CE1 . TYR A 1 211 ? 37.390 10.839 64.020 1.00 22.85 ? 273 TYR A CE1 1 ATOM 1675 C CE2 . TYR A 1 211 ? 36.012 12.321 62.679 1.00 23.97 ? 273 TYR A CE2 1 ATOM 1676 C CZ . TYR A 1 211 ? 36.548 11.950 63.922 1.00 24.48 ? 273 TYR A CZ 1 ATOM 1677 O OH . TYR A 1 211 ? 36.195 12.596 65.107 1.00 24.95 ? 273 TYR A OH 1 ATOM 1678 N N . LEU A 1 212 ? 39.898 12.331 60.034 1.00 20.09 ? 274 LEU A N 1 ATOM 1679 C CA . LEU A 1 212 ? 39.967 13.811 59.946 1.00 21.55 ? 274 LEU A CA 1 ATOM 1680 C C . LEU A 1 212 ? 41.011 14.323 58.938 1.00 21.21 ? 274 LEU A C 1 ATOM 1681 O O . LEU A 1 212 ? 41.249 15.525 58.810 1.00 21.27 ? 274 LEU A O 1 ATOM 1682 C CB . LEU A 1 212 ? 40.253 14.424 61.330 1.00 21.23 ? 274 LEU A CB 1 ATOM 1683 C CG . LEU A 1 212 ? 39.105 14.210 62.325 1.00 22.33 ? 274 LEU A CG 1 ATOM 1684 C CD1 . LEU A 1 212 ? 39.609 14.477 63.747 1.00 22.23 ? 274 LEU A CD1 1 ATOM 1685 C CD2 . LEU A 1 212 ? 37.854 15.045 61.984 1.00 21.57 ? 274 LEU A CD2 1 ATOM 1686 N N . LEU A 1 213 ? 41.642 13.402 58.221 1.00 22.30 ? 275 LEU A N 1 ATOM 1687 C CA . LEU A 1 213 ? 42.597 13.822 57.169 1.00 23.25 ? 275 LEU A CA 1 ATOM 1688 C C . LEU A 1 213 ? 41.910 14.395 55.950 1.00 22.96 ? 275 LEU A C 1 ATOM 1689 O O . LEU A 1 213 ? 40.793 13.990 55.612 1.00 23.86 ? 275 LEU A O 1 ATOM 1690 C CB . LEU A 1 213 ? 43.408 12.621 56.683 1.00 22.81 ? 275 LEU A CB 1 ATOM 1691 C CG . LEU A 1 213 ? 44.372 12.083 57.703 1.00 24.17 ? 275 LEU A CG 1 ATOM 1692 C CD1 . LEU A 1 213 ? 44.908 10.739 57.239 1.00 24.58 ? 275 LEU A CD1 1 ATOM 1693 C CD2 . LEU A 1 213 ? 45.521 13.051 57.992 1.00 22.54 ? 275 LEU A CD2 1 ATOM 1694 N N . ALA A 1 214 ? 42.592 15.321 55.257 1.00 22.76 ? 276 ALA A N 1 ATOM 1695 C CA . ALA A 1 214 ? 42.054 15.854 54.018 1.00 23.38 ? 276 ALA A CA 1 ATOM 1696 C C . ALA A 1 214 ? 43.178 16.301 53.117 1.00 23.16 ? 276 ALA A C 1 ATOM 1697 O O . ALA A 1 214 ? 44.241 16.753 53.575 1.00 23.41 ? 276 ALA A O 1 ATOM 1698 C CB . ALA A 1 214 ? 41.117 17.041 54.285 1.00 21.99 ? 276 ALA A CB 1 ATOM 1699 N N . TYR A 1 215 ? 42.933 16.218 51.829 1.00 23.41 ? 277 TYR A N 1 ATOM 1700 C CA . TYR A 1 215 ? 43.904 16.761 50.858 1.00 25.15 ? 277 TYR A CA 1 ATOM 1701 C C . TYR A 1 215 ? 43.196 16.993 49.549 1.00 23.94 ? 277 TYR A C 1 ATOM 1702 O O . TYR A 1 215 ? 42.308 16.220 49.193 1.00 24.51 ? 277 TYR A O 1 ATOM 1703 C CB . TYR A 1 215 ? 45.153 15.860 50.715 1.00 22.76 ? 277 TYR A CB 1 ATOM 1704 C CG . TYR A 1 215 ? 44.967 14.383 50.963 1.00 23.72 ? 277 TYR A CG 1 ATOM 1705 C CD1 . TYR A 1 215 ? 44.509 13.511 49.953 1.00 25.33 ? 277 TYR A CD1 1 ATOM 1706 C CD2 . TYR A 1 215 ? 45.255 13.840 52.203 1.00 23.64 ? 277 TYR A CD2 1 ATOM 1707 C CE1 . TYR A 1 215 ? 44.359 12.139 50.188 1.00 23.41 ? 277 TYR A CE1 1 ATOM 1708 C CE2 . TYR A 1 215 ? 45.110 12.471 52.444 1.00 24.77 ? 277 TYR A CE2 1 ATOM 1709 C CZ . TYR A 1 215 ? 44.659 11.639 51.441 1.00 24.72 ? 277 TYR A CZ 1 ATOM 1710 O OH . TYR A 1 215 ? 44.534 10.296 51.720 1.00 27.75 ? 277 TYR A OH 1 ATOM 1711 N N . ILE A 1 216 ? 43.541 18.103 48.896 1.00 24.30 ? 278 ILE A N 1 ATOM 1712 C CA . ILE A 1 216 ? 42.747 18.643 47.835 1.00 24.93 ? 278 ILE A CA 1 ATOM 1713 C C . ILE A 1 216 ? 43.682 19.257 46.805 1.00 26.60 ? 278 ILE A C 1 ATOM 1714 O O . ILE A 1 216 ? 44.640 19.979 47.170 1.00 26.40 ? 278 ILE A O 1 ATOM 1715 C CB . ILE A 1 216 ? 41.774 19.743 48.331 1.00 25.96 ? 278 ILE A CB 1 ATOM 1716 C CG1 . ILE A 1 216 ? 40.882 19.193 49.448 1.00 26.20 ? 278 ILE A CG1 1 ATOM 1717 C CG2 . ILE A 1 216 ? 40.954 20.274 47.186 1.00 25.76 ? 278 ILE A CG2 1 ATOM 1718 C CD1 . ILE A 1 216 ? 39.923 20.200 50.087 1.00 26.98 ? 278 ILE A CD1 1 ATOM 1719 N N . VAL A 1 217 ? 43.402 18.926 45.544 1.00 25.95 ? 279 VAL A N 1 ATOM 1720 C CA . VAL A 1 217 ? 44.101 19.492 44.390 1.00 27.49 ? 279 VAL A CA 1 ATOM 1721 C C . VAL A 1 217 ? 43.083 20.172 43.498 1.00 27.87 ? 279 VAL A C 1 ATOM 1722 O O . VAL A 1 217 ? 42.128 19.522 43.028 1.00 28.93 ? 279 VAL A O 1 ATOM 1723 C CB . VAL A 1 217 ? 44.864 18.386 43.595 1.00 27.29 ? 279 VAL A CB 1 ATOM 1724 C CG1 . VAL A 1 217 ? 45.464 18.964 42.301 1.00 28.80 ? 279 VAL A CG1 1 ATOM 1725 C CG2 . VAL A 1 217 ? 45.957 17.762 44.475 1.00 25.30 ? 279 VAL A CG2 1 ATOM 1726 N N . SER A 1 218 ? 43.256 21.474 43.267 1.00 27.34 ? 280 SER A N 1 ATOM 1727 C CA . SER A 1 218 ? 42.271 22.236 42.492 1.00 31.13 ? 280 SER A CA 1 ATOM 1728 C C . SER A 1 218 ? 42.852 23.523 41.950 1.00 31.14 ? 280 SER A C 1 ATOM 1729 O O . SER A 1 218 ? 43.968 23.880 42.295 1.00 32.95 ? 280 SER A O 1 ATOM 1730 C CB . SER A 1 218 ? 41.116 22.637 43.420 1.00 31.73 ? 280 SER A CB 1 ATOM 1731 O OG . SER A 1 218 ? 41.541 23.645 44.328 1.00 30.05 ? 280 SER A OG 1 ATOM 1732 N N . GLU A 1 219 ? 42.038 24.240 41.171 1.00 34.16 ? 281 GLU A N 1 ATOM 1733 C CA . GLU A 1 219 ? 42.317 25.604 40.719 1.00 34.45 ? 281 GLU A CA 1 ATOM 1734 C C . GLU A 1 219 ? 41.806 26.692 41.648 1.00 35.55 ? 281 GLU A C 1 ATOM 1735 O O . GLU A 1 219 ? 41.739 27.861 41.230 1.00 34.53 ? 281 GLU A O 1 ATOM 1736 C CB . GLU A 1 219 ? 41.624 25.846 39.381 1.00 39.14 ? 281 GLU A CB 1 ATOM 1737 C CG . GLU A 1 219 ? 42.343 25.163 38.263 1.00 44.30 ? 281 GLU A CG 1 ATOM 1738 C CD . GLU A 1 219 ? 41.748 25.473 36.890 1.00 48.48 ? 281 GLU A CD 1 ATOM 1739 O OE1 . GLU A 1 219 ? 40.730 26.204 36.817 1.00 46.92 ? 281 GLU A OE1 1 ATOM 1740 O OE2 . GLU A 1 219 ? 42.326 24.959 35.900 1.00 51.43 ? 281 GLU A OE2 1 ATOM 1741 N N . PHE A 1 220 ? 41.426 26.325 42.872 1.00 34.11 ? 282 PHE A N 1 ATOM 1742 C CA . PHE A 1 220 ? 40.711 27.258 43.717 1.00 35.49 ? 282 PHE A CA 1 ATOM 1743 C C . PHE A 1 220 ? 41.608 28.406 44.171 1.00 35.21 ? 282 PHE A C 1 ATOM 1744 O O . PHE A 1 220 ? 42.821 28.293 44.239 1.00 36.21 ? 282 PHE A O 1 ATOM 1745 C CB . PHE A 1 220 ? 40.066 26.548 44.907 1.00 31.83 ? 282 PHE A CB 1 ATOM 1746 C CG . PHE A 1 220 ? 38.785 25.793 44.579 1.00 37.53 ? 282 PHE A CG 1 ATOM 1747 C CD1 . PHE A 1 220 ? 38.437 25.456 43.266 1.00 33.72 ? 282 PHE A CD1 1 ATOM 1748 C CD2 . PHE A 1 220 ? 37.938 25.420 45.596 1.00 34.11 ? 282 PHE A CD2 1 ATOM 1749 C CE1 . PHE A 1 220 ? 37.257 24.778 43.006 1.00 33.52 ? 282 PHE A CE1 1 ATOM 1750 C CE2 . PHE A 1 220 ? 36.757 24.739 45.352 1.00 33.96 ? 282 PHE A CE2 1 ATOM 1751 C CZ . PHE A 1 220 ? 36.412 24.420 44.053 1.00 34.18 ? 282 PHE A CZ 1 ATOM 1752 N N . GLN A 1 221 ? 40.961 29.507 44.483 1.00 35.25 ? 283 GLN A N 1 ATOM 1753 C CA . GLN A 1 221 ? 41.595 30.715 44.994 1.00 38.06 ? 283 GLN A CA 1 ATOM 1754 C C . GLN A 1 221 ? 40.990 31.023 46.370 1.00 37.62 ? 283 GLN A C 1 ATOM 1755 O O . GLN A 1 221 ? 40.037 30.363 46.773 1.00 34.61 ? 283 GLN A O 1 ATOM 1756 C CB . GLN A 1 221 ? 41.362 31.848 44.011 1.00 40.03 ? 283 GLN A CB 1 ATOM 1757 C CG . GLN A 1 221 ? 42.207 31.694 42.751 1.00 41.04 ? 283 GLN A CG 1 ATOM 1758 C CD . GLN A 1 221 ? 41.909 32.726 41.695 1.00 45.20 ? 283 GLN A CD 1 ATOM 1759 O OE1 . GLN A 1 221 ? 41.294 33.745 41.954 1.00 47.43 ? 283 GLN A OE1 1 ATOM 1760 N NE2 . GLN A 1 221 ? 42.370 32.466 40.475 1.00 47.55 ? 283 GLN A NE2 1 ATOM 1761 N N . SER A 1 222 ? 41.595 31.960 47.102 1.00 34.90 ? 284 SER A N 1 ATOM 1762 C CA . SER A 1 222 ? 41.199 32.226 48.472 1.00 36.95 ? 284 SER A CA 1 ATOM 1763 C C . SER A 1 222 ? 41.102 33.705 48.755 1.00 37.85 ? 284 SER A C 1 ATOM 1764 O O . SER A 1 222 ? 41.681 34.529 48.043 1.00 36.53 ? 284 SER A O 1 ATOM 1765 C CB . SER A 1 222 ? 42.193 31.591 49.465 1.00 35.25 ? 284 SER A CB 1 ATOM 1766 O OG . SER A 1 222 ? 43.452 32.227 49.345 1.00 36.77 ? 284 SER A OG 1 ATOM 1767 N N . VAL A 1 223 ? 40.338 34.045 49.771 1.00 37.62 ? 285 VAL A N 1 ATOM 1768 C CA . VAL A 1 223 ? 40.428 35.317 50.410 1.00 38.11 ? 285 VAL A CA 1 ATOM 1769 C C . VAL A 1 223 ? 40.969 35.003 51.763 1.00 37.79 ? 285 VAL A C 1 ATOM 1770 O O . VAL A 1 223 ? 40.704 33.949 52.289 1.00 35.27 ? 285 VAL A O 1 ATOM 1771 C CB . VAL A 1 223 ? 39.084 36.039 50.517 1.00 39.48 ? 285 VAL A CB 1 ATOM 1772 C CG1 . VAL A 1 223 ? 38.594 36.451 49.162 1.00 42.62 ? 285 VAL A CG1 1 ATOM 1773 C CG2 . VAL A 1 223 ? 38.043 35.206 51.208 1.00 38.40 ? 285 VAL A CG2 1 ATOM 1774 N N . ASN A 1 224 ? 41.746 35.902 52.318 1.00 35.66 ? 286 ASN A N 1 ATOM 1775 C CA . ASN A 1 224 ? 42.392 35.628 53.551 1.00 37.88 ? 286 ASN A CA 1 ATOM 1776 C C . ASN A 1 224 ? 42.504 36.678 54.585 1.00 38.68 ? 286 ASN A C 1 ATOM 1777 O O . ASN A 1 224 ? 42.330 37.819 54.333 1.00 38.60 ? 286 ASN A O 1 ATOM 1778 C CB . ASN A 1 224 ? 43.728 34.984 53.300 1.00 44.02 ? 286 ASN A CB 1 ATOM 1779 C CG . ASN A 1 224 ? 44.682 35.859 52.576 1.00 50.51 ? 286 ASN A CG 1 ATOM 1780 O OD1 . ASN A 1 224 ? 44.977 35.642 51.420 1.00 52.46 ? 286 ASN A OD1 1 ATOM 1781 N ND2 . ASN A 1 224 ? 45.227 36.810 53.279 1.00 52.62 ? 286 ASN A ND2 1 ATOM 1782 N N . GLU A 1 225 ? 42.792 36.236 55.777 1.00 40.56 ? 287 GLU A N 1 ATOM 1783 C CA . GLU A 1 225 ? 43.114 37.118 56.832 1.00 43.71 ? 287 GLU A CA 1 ATOM 1784 C C . GLU A 1 225 ? 44.049 36.467 57.802 1.00 40.34 ? 287 GLU A C 1 ATOM 1785 O O . GLU A 1 225 ? 44.017 35.292 58.019 1.00 37.89 ? 287 GLU A O 1 ATOM 1786 C CB . GLU A 1 225 ? 41.851 37.674 57.465 1.00 50.92 ? 287 GLU A CB 1 ATOM 1787 C CG . GLU A 1 225 ? 41.535 37.260 58.871 1.00 55.73 ? 287 GLU A CG 1 ATOM 1788 C CD . GLU A 1 225 ? 40.526 38.160 59.497 1.00 60.25 ? 287 GLU A CD 1 ATOM 1789 O OE1 . GLU A 1 225 ? 39.834 37.708 60.416 1.00 60.91 ? 287 GLU A OE1 1 ATOM 1790 O OE2 . GLU A 1 225 ? 40.437 39.324 59.069 1.00 68.62 ? 287 GLU A OE2 1 ATOM 1791 N N . THR A 1 226 ? 44.893 37.286 58.373 1.00 45.32 ? 288 THR A N 1 ATOM 1792 C CA . THR A 1 226 ? 45.814 36.829 59.385 1.00 47.39 ? 288 THR A CA 1 ATOM 1793 C C . THR A 1 226 ? 45.270 37.339 60.700 1.00 46.40 ? 288 THR A C 1 ATOM 1794 O O . THR A 1 226 ? 45.208 38.524 60.912 1.00 44.16 ? 288 THR A O 1 ATOM 1795 C CB . THR A 1 226 ? 47.236 37.333 59.111 1.00 47.96 ? 288 THR A CB 1 ATOM 1796 O OG1 . THR A 1 226 ? 47.689 36.758 57.881 1.00 52.88 ? 288 THR A OG1 1 ATOM 1797 C CG2 . THR A 1 226 ? 48.189 36.898 60.203 1.00 50.53 ? 288 THR A CG2 1 ATOM 1798 N N . ALA A 1 227 ? 44.861 36.439 61.576 1.00 45.37 ? 289 ALA A N 1 ATOM 1799 C CA . ALA A 1 227 ? 44.378 36.838 62.899 1.00 48.42 ? 289 ALA A CA 1 ATOM 1800 C C . ALA A 1 227 ? 45.540 37.433 63.713 1.00 55.13 ? 289 ALA A C 1 ATOM 1801 O O . ALA A 1 227 ? 46.712 37.372 63.279 1.00 49.26 ? 289 ALA A O 1 ATOM 1802 C CB . ALA A 1 227 ? 43.751 35.667 63.617 1.00 47.24 ? 289 ALA A CB 1 ATOM 1803 N N . GLN A 1 228 ? 45.211 38.046 64.853 1.00 58.32 ? 290 GLN A N 1 ATOM 1804 C CA . GLN A 1 228 ? 46.201 38.794 65.645 1.00 62.39 ? 290 GLN A CA 1 ATOM 1805 C C . GLN A 1 228 ? 47.320 37.903 66.195 1.00 61.25 ? 290 GLN A C 1 ATOM 1806 O O . GLN A 1 228 ? 48.478 38.320 66.292 1.00 61.13 ? 290 GLN A O 1 ATOM 1807 C CB . GLN A 1 228 ? 45.531 39.640 66.749 1.00 70.71 ? 290 GLN A CB 1 ATOM 1808 C CG . GLN A 1 228 ? 45.191 41.058 66.264 1.00 71.21 ? 290 GLN A CG 1 ATOM 1809 C CD . GLN A 1 228 ? 44.787 42.019 67.369 1.00 62.06 ? 290 GLN A CD 1 ATOM 1810 O OE1 . GLN A 1 228 ? 45.522 42.941 67.690 1.00 71.63 ? 290 GLN A OE1 1 ATOM 1811 N NE2 . GLN A 1 228 ? 43.581 41.818 67.937 1.00 72.44 ? 290 GLN A NE2 1 ATOM 1812 N N . ASN A 1 229 ? 46.966 36.660 66.495 1.00 59.99 ? 291 ASN A N 1 ATOM 1813 C CA . ASN A 1 229 ? 47.908 35.649 66.985 1.00 50.70 ? 291 ASN A CA 1 ATOM 1814 C C . ASN A 1 229 ? 48.724 34.960 65.873 1.00 56.49 ? 291 ASN A C 1 ATOM 1815 O O . ASN A 1 229 ? 49.468 34.015 66.144 1.00 61.19 ? 291 ASN A O 1 ATOM 1816 C CB . ASN A 1 229 ? 47.101 34.595 67.712 1.00 56.92 ? 291 ASN A CB 1 ATOM 1817 C CG . ASN A 1 229 ? 46.063 33.967 66.808 1.00 57.99 ? 291 ASN A CG 1 ATOM 1818 O OD1 . ASN A 1 229 ? 46.176 34.004 65.572 1.00 57.43 ? 291 ASN A OD1 1 ATOM 1819 N ND2 . ASN A 1 229 ? 45.027 33.407 67.411 1.00 59.07 ? 291 ASN A ND2 1 ATOM 1820 N N . GLY A 1 230 ? 48.572 35.405 64.626 1.00 54.74 ? 292 GLY A N 1 ATOM 1821 C CA . GLY A 1 230 ? 49.341 34.860 63.510 1.00 49.79 ? 292 GLY A CA 1 ATOM 1822 C C . GLY A 1 230 ? 48.657 33.697 62.787 1.00 46.20 ? 292 GLY A C 1 ATOM 1823 O O . GLY A 1 230 ? 49.150 33.230 61.766 1.00 48.75 ? 292 GLY A O 1 ATOM 1824 N N . VAL A 1 231 ? 47.522 33.229 63.285 1.00 43.19 ? 293 VAL A N 1 ATOM 1825 C CA . VAL A 1 231 ? 46.766 32.162 62.563 1.00 42.63 ? 293 VAL A CA 1 ATOM 1826 C C . VAL A 1 231 ? 46.268 32.699 61.205 1.00 42.90 ? 293 VAL A C 1 ATOM 1827 O O . VAL A 1 231 ? 45.584 33.746 61.126 1.00 42.93 ? 293 VAL A O 1 ATOM 1828 C CB . VAL A 1 231 ? 45.637 31.575 63.439 1.00 40.20 ? 293 VAL A CB 1 ATOM 1829 C CG1 . VAL A 1 231 ? 44.675 30.657 62.675 1.00 39.62 ? 293 VAL A CG1 1 ATOM 1830 C CG2 . VAL A 1 231 ? 46.254 30.783 64.582 1.00 44.06 ? 293 VAL A CG2 1 ATOM 1831 N N . LEU A 1 232 ? 46.664 32.008 60.140 1.00 34.17 ? 294 LEU A N 1 ATOM 1832 C CA . LEU A 1 232 ? 46.200 32.360 58.820 1.00 35.69 ? 294 LEU A CA 1 ATOM 1833 C C . LEU A 1 232 ? 44.826 31.724 58.604 1.00 35.11 ? 294 LEU A C 1 ATOM 1834 O O . LEU A 1 232 ? 44.660 30.517 58.833 1.00 35.01 ? 294 LEU A O 1 ATOM 1835 C CB . LEU A 1 232 ? 47.206 31.938 57.748 1.00 39.61 ? 294 LEU A CB 1 ATOM 1836 C CG . LEU A 1 232 ? 46.917 32.324 56.279 1.00 44.38 ? 294 LEU A CG 1 ATOM 1837 C CD1 . LEU A 1 232 ? 46.638 33.805 56.011 1.00 46.53 ? 294 LEU A CD1 1 ATOM 1838 C CD2 . LEU A 1 232 ? 48.037 31.848 55.342 1.00 51.84 ? 294 LEU A CD2 1 ATOM 1839 N N . ILE A 1 233 ? 43.856 32.542 58.216 1.00 34.86 ? 295 ILE A N 1 ATOM 1840 C CA . ILE A 1 233 ? 42.488 32.091 57.932 1.00 34.19 ? 295 ILE A CA 1 ATOM 1841 C C . ILE A 1 233 ? 42.266 32.322 56.438 1.00 33.86 ? 295 ILE A C 1 ATOM 1842 O O . ILE A 1 233 ? 42.505 33.432 55.927 1.00 32.63 ? 295 ILE A O 1 ATOM 1843 C CB . ILE A 1 233 ? 41.460 32.950 58.705 1.00 34.22 ? 295 ILE A CB 1 ATOM 1844 C CG1 . ILE A 1 233 ? 41.623 32.760 60.206 1.00 36.53 ? 295 ILE A CG1 1 ATOM 1845 C CG2 . ILE A 1 233 ? 40.036 32.639 58.308 1.00 35.47 ? 295 ILE A CG2 1 ATOM 1846 C CD1 . ILE A 1 233 ? 40.884 33.824 61.000 1.00 38.46 ? 295 ILE A CD1 1 ATOM 1847 N N . ARG A 1 234 ? 41.818 31.281 55.753 1.00 30.17 ? 296 ARG A N 1 ATOM 1848 C CA . ARG A 1 234 ? 41.489 31.370 54.344 1.00 32.18 ? 296 ARG A CA 1 ATOM 1849 C C . ARG A 1 234 ? 40.176 30.680 54.029 1.00 29.22 ? 296 ARG A C 1 ATOM 1850 O O . ARG A 1 234 ? 39.914 29.618 54.584 1.00 29.30 ? 296 ARG A O 1 ATOM 1851 C CB . ARG A 1 234 ? 42.594 30.695 53.529 1.00 32.19 ? 296 ARG A CB 1 ATOM 1852 C CG . ARG A 1 234 ? 43.913 31.453 53.494 1.00 34.76 ? 296 ARG A CG 1 ATOM 1853 C CD . ARG A 1 234 ? 44.952 30.587 52.790 1.00 38.96 ? 296 ARG A CD 1 ATOM 1854 N NE . ARG A 1 234 ? 45.968 31.369 52.171 1.00 46.71 ? 296 ARG A NE 1 ATOM 1855 C CZ . ARG A 1 234 ? 47.200 30.934 51.897 1.00 53.06 ? 296 ARG A CZ 1 ATOM 1856 N NH1 . ARG A 1 234 ? 47.617 29.713 52.263 1.00 60.06 ? 296 ARG A NH1 1 ATOM 1857 N NH2 . ARG A 1 234 ? 48.050 31.762 51.311 1.00 60.43 ? 296 ARG A NH2 1 ATOM 1858 N N . ILE A 1 235 ? 39.417 31.301 53.125 1.00 30.09 ? 297 ILE A N 1 ATOM 1859 C CA . ILE A 1 235 ? 38.221 30.755 52.517 1.00 31.05 ? 297 ILE A CA 1 ATOM 1860 C C . ILE A 1 235 ? 38.569 30.486 51.043 1.00 30.68 ? 297 ILE A C 1 ATOM 1861 O O . ILE A 1 235 ? 38.960 31.404 50.303 1.00 30.12 ? 297 ILE A O 1 ATOM 1862 C CB . ILE A 1 235 ? 37.029 31.735 52.551 1.00 30.78 ? 297 ILE A CB 1 ATOM 1863 C CG1 . ILE A 1 235 ? 36.751 32.269 53.980 1.00 29.60 ? 297 ILE A CG1 1 ATOM 1864 C CG2 . ILE A 1 235 ? 35.793 31.057 51.947 1.00 31.52 ? 297 ILE A CG2 1 ATOM 1865 C CD1 . ILE A 1 235 ? 36.512 31.165 55.014 1.00 28.53 ? 297 ILE A CD1 1 ATOM 1866 N N . TRP A 1 236 ? 38.443 29.222 50.639 1.00 28.86 ? 298 TRP A N 1 ATOM 1867 C CA . TRP A 1 236 ? 38.750 28.779 49.279 1.00 30.37 ? 298 TRP A CA 1 ATOM 1868 C C . TRP A 1 236 ? 37.495 28.470 48.485 1.00 30.89 ? 298 TRP A C 1 ATOM 1869 O O . TRP A 1 236 ? 36.577 27.827 49.010 1.00 32.06 ? 298 TRP A O 1 ATOM 1870 C CB . TRP A 1 236 ? 39.612 27.507 49.332 1.00 30.21 ? 298 TRP A CB 1 ATOM 1871 C CG . TRP A 1 236 ? 40.974 27.719 49.917 1.00 32.73 ? 298 TRP A CG 1 ATOM 1872 C CD1 . TRP A 1 236 ? 41.334 27.660 51.250 1.00 30.40 ? 298 TRP A CD1 1 ATOM 1873 C CD2 . TRP A 1 236 ? 42.169 28.030 49.196 1.00 31.51 ? 298 TRP A CD2 1 ATOM 1874 N NE1 . TRP A 1 236 ? 42.691 27.882 51.380 1.00 30.40 ? 298 TRP A NE1 1 ATOM 1875 C CE2 . TRP A 1 236 ? 43.217 28.129 50.141 1.00 29.15 ? 298 TRP A CE2 1 ATOM 1876 C CE3 . TRP A 1 236 ? 42.461 28.221 47.836 1.00 31.95 ? 298 TRP A CE3 1 ATOM 1877 C CZ2 . TRP A 1 236 ? 44.544 28.413 49.765 1.00 31.98 ? 298 TRP A CZ2 1 ATOM 1878 C CZ3 . TRP A 1 236 ? 43.768 28.520 47.466 1.00 31.73 ? 298 TRP A CZ3 1 ATOM 1879 C CH2 . TRP A 1 236 ? 44.796 28.596 48.424 1.00 31.86 ? 298 TRP A CH2 1 ATOM 1880 N N . ALA A 1 237 ? 37.481 28.871 47.218 1.00 32.82 ? 299 ALA A N 1 ATOM 1881 C CA . ALA A 1 237 ? 36.368 28.556 46.322 1.00 33.53 ? 299 ALA A CA 1 ATOM 1882 C C . ALA A 1 237 ? 36.802 28.632 44.863 1.00 33.43 ? 299 ALA A C 1 ATOM 1883 O O . ALA A 1 237 ? 37.942 29.027 44.572 1.00 32.11 ? 299 ALA A O 1 ATOM 1884 C CB . ALA A 1 237 ? 35.207 29.501 46.597 1.00 31.88 ? 299 ALA A CB 1 ATOM 1885 N N . ARG A 1 238 ? 35.897 28.266 43.949 1.00 36.49 ? 300 ARG A N 1 ATOM 1886 C CA . ARG A 1 238 ? 36.086 28.489 42.511 1.00 40.66 ? 300 ARG A CA 1 ATOM 1887 C C . ARG A 1 238 ? 36.538 29.936 42.269 1.00 42.23 ? 300 ARG A C 1 ATOM 1888 O O . ARG A 1 238 ? 36.025 30.844 42.900 1.00 37.72 ? 300 ARG A O 1 ATOM 1889 C CB . ARG A 1 238 ? 34.768 28.241 41.723 1.00 43.45 ? 300 ARG A CB 1 ATOM 1890 C CG . ARG A 1 238 ? 34.270 26.783 41.746 1.00 44.61 ? 300 ARG A CG 1 ATOM 1891 C CD . ARG A 1 238 ? 32.938 26.577 41.015 1.00 42.97 ? 300 ARG A CD 1 ATOM 1892 N NE . ARG A 1 238 ? 31.804 27.181 41.706 1.00 45.42 ? 300 ARG A NE 1 ATOM 1893 C CZ . ARG A 1 238 ? 31.245 28.351 41.400 1.00 46.26 ? 300 ARG A CZ 1 ATOM 1894 N NH1 . ARG A 1 238 ? 31.699 29.085 40.406 1.00 50.92 ? 300 ARG A NH1 1 ATOM 1895 N NH2 . ARG A 1 238 ? 30.217 28.812 42.107 1.00 53.74 ? 300 ARG A NH2 1 ATOM 1896 N N . PRO A 1 239 ? 37.495 30.152 41.353 1.00 44.57 ? 301 PRO A N 1 ATOM 1897 C CA . PRO A 1 239 ? 37.952 31.500 41.045 1.00 46.32 ? 301 PRO A CA 1 ATOM 1898 C C . PRO A 1 239 ? 36.813 32.502 40.828 1.00 45.08 ? 301 PRO A C 1 ATOM 1899 O O . PRO A 1 239 ? 36.830 33.583 41.413 1.00 49.69 ? 301 PRO A O 1 ATOM 1900 C CB . PRO A 1 239 ? 38.743 31.312 39.747 1.00 47.07 ? 301 PRO A CB 1 ATOM 1901 C CG . PRO A 1 239 ? 39.278 29.953 39.837 1.00 48.94 ? 301 PRO A CG 1 ATOM 1902 C CD . PRO A 1 239 ? 38.235 29.146 40.588 1.00 40.06 ? 301 PRO A CD 1 ATOM 1903 N N . ASN A 1 240 ? 35.834 32.156 39.994 1.00 53.38 ? 302 ASN A N 1 ATOM 1904 C CA . ASN A 1 240 ? 34.708 33.059 39.769 1.00 55.27 ? 302 ASN A CA 1 ATOM 1905 C C . ASN A 1 240 ? 33.900 33.378 41.036 1.00 47.36 ? 302 ASN A C 1 ATOM 1906 O O . ASN A 1 240 ? 33.461 34.501 41.197 1.00 49.33 ? 302 ASN A O 1 ATOM 1907 C CB . ASN A 1 240 ? 33.800 32.533 38.662 1.00 53.68 ? 302 ASN A CB 1 ATOM 1908 C CG . ASN A 1 240 ? 34.481 32.500 37.295 1.00 61.97 ? 302 ASN A CG 1 ATOM 1909 O OD1 . ASN A 1 240 ? 35.535 33.111 37.064 1.00 63.99 ? 302 ASN A OD1 1 ATOM 1910 N ND2 . ASN A 1 240 ? 33.871 31.779 36.375 1.00 64.31 ? 302 ASN A ND2 1 ATOM 1911 N N . ALA A 1 241 ? 33.747 32.415 41.945 1.00 44.58 ? 303 ALA A N 1 ATOM 1912 C CA . ALA A 1 241 ? 33.003 32.658 43.209 1.00 45.09 ? 303 ALA A CA 1 ATOM 1913 C C . ALA A 1 241 ? 33.728 33.657 44.084 1.00 42.76 ? 303 ALA A C 1 ATOM 1914 O O . ALA A 1 241 ? 33.126 34.565 44.632 1.00 40.89 ? 303 ALA A O 1 ATOM 1915 C CB . ALA A 1 241 ? 32.760 31.361 43.999 1.00 40.23 ? 303 ALA A CB 1 ATOM 1916 N N . ILE A 1 242 ? 35.031 33.448 44.228 1.00 41.57 ? 304 ILE A N 1 ATOM 1917 C CA . ILE A 1 242 ? 35.906 34.383 44.931 1.00 44.23 ? 304 ILE A CA 1 ATOM 1918 C C . ILE A 1 242 ? 35.840 35.791 44.335 1.00 43.90 ? 304 ILE A C 1 ATOM 1919 O O . ILE A 1 242 ? 35.630 36.769 45.058 1.00 45.97 ? 304 ILE A O 1 ATOM 1920 C CB . ILE A 1 242 ? 37.369 33.869 44.917 1.00 44.66 ? 304 ILE A CB 1 ATOM 1921 C CG1 . ILE A 1 242 ? 37.521 32.578 45.712 1.00 41.49 ? 304 ILE A CG1 1 ATOM 1922 C CG2 . ILE A 1 242 ? 38.335 34.911 45.453 1.00 48.00 ? 304 ILE A CG2 1 ATOM 1923 C CD1 . ILE A 1 242 ? 37.200 32.709 47.172 1.00 41.30 ? 304 ILE A CD1 1 ATOM 1924 N N . ALA A 1 243 ? 35.977 35.892 43.018 1.00 44.90 ? 305 ALA A N 1 ATOM 1925 C CA . ALA A 1 243 ? 35.951 37.196 42.364 1.00 50.76 ? 305 ALA A CA 1 ATOM 1926 C C . ALA A 1 243 ? 34.606 37.893 42.525 1.00 55.13 ? 305 ALA A C 1 ATOM 1927 O O . ALA A 1 243 ? 34.560 39.124 42.572 1.00 51.65 ? 305 ALA A O 1 ATOM 1928 C CB . ALA A 1 243 ? 36.326 37.081 40.897 1.00 53.91 ? 305 ALA A CB 1 ATOM 1929 N N . GLU A 1 244 ? 33.514 37.130 42.654 1.00 50.96 ? 306 GLU A N 1 ATOM 1930 C CA . GLU A 1 244 ? 32.183 37.751 42.892 1.00 49.13 ? 306 GLU A CA 1 ATOM 1931 C C . GLU A 1 244 ? 31.976 38.181 44.347 1.00 49.48 ? 306 GLU A C 1 ATOM 1932 O O . GLU A 1 244 ? 30.954 38.787 44.674 1.00 47.16 ? 306 GLU A O 1 ATOM 1933 C CB . GLU A 1 244 ? 31.033 36.808 42.493 1.00 53.71 ? 306 GLU A CB 1 ATOM 1934 C CG . GLU A 1 244 ? 30.840 36.611 40.995 1.00 58.64 ? 306 GLU A CG 1 ATOM 1935 C CD . GLU A 1 244 ? 30.488 37.877 40.286 1.00 62.93 ? 306 GLU A CD 1 ATOM 1936 O OE1 . GLU A 1 244 ? 31.344 38.369 39.523 1.00 79.28 ? 306 GLU A OE1 1 ATOM 1937 O OE2 . GLU A 1 244 ? 29.373 38.398 40.504 1.00 76.70 ? 306 GLU A OE2 1 ATOM 1938 N N . GLY A 1 245 ? 32.931 37.857 45.215 1.00 44.93 ? 307 GLY A N 1 ATOM 1939 C CA . GLY A 1 245 ? 32.866 38.244 46.631 1.00 46.77 ? 307 GLY A CA 1 ATOM 1940 C C . GLY A 1 245 ? 32.113 37.283 47.542 1.00 42.76 ? 307 GLY A C 1 ATOM 1941 O O . GLY A 1 245 ? 31.815 37.611 48.692 1.00 40.06 ? 307 GLY A O 1 ATOM 1942 N N . HIS A 1 246 ? 31.828 36.084 47.049 1.00 39.60 ? 308 HIS A N 1 ATOM 1943 C CA . HIS A 1 246 ? 30.941 35.162 47.776 1.00 40.12 ? 308 HIS A CA 1 ATOM 1944 C C . HIS A 1 246 ? 31.576 34.536 49.009 1.00 38.50 ? 308 HIS A C 1 ATOM 1945 O O . HIS A 1 246 ? 30.875 33.996 49.873 1.00 37.41 ? 308 HIS A O 1 ATOM 1946 C CB . HIS A 1 246 ? 30.369 34.102 46.806 1.00 39.74 ? 308 HIS A CB 1 ATOM 1947 C CG . HIS A 1 246 ? 29.453 34.694 45.775 1.00 42.48 ? 308 HIS A CG 1 ATOM 1948 N ND1 . HIS A 1 246 ? 29.030 34.005 44.658 1.00 44.63 ? 308 HIS A ND1 1 ATOM 1949 C CD2 . HIS A 1 246 ? 28.892 35.918 45.692 1.00 47.01 ? 308 HIS A CD2 1 ATOM 1950 C CE1 . HIS A 1 246 ? 28.248 34.771 43.935 1.00 44.06 ? 308 HIS A CE1 1 ATOM 1951 N NE2 . HIS A 1 246 ? 28.153 35.948 44.534 1.00 45.51 ? 308 HIS A NE2 1 ATOM 1952 N N . GLY A 1 247 ? 32.906 34.635 49.093 1.00 36.16 ? 309 GLY A N 1 ATOM 1953 C CA . GLY A 1 247 ? 33.642 34.160 50.240 1.00 34.30 ? 309 GLY A CA 1 ATOM 1954 C C . GLY A 1 247 ? 33.701 35.116 51.419 1.00 35.22 ? 309 GLY A C 1 ATOM 1955 O O . GLY A 1 247 ? 34.143 34.719 52.490 1.00 33.81 ? 309 GLY A O 1 ATOM 1956 N N . MET A 1 248 ? 33.271 36.362 51.238 1.00 35.00 ? 310 MET A N 1 ATOM 1957 C CA . MET A 1 248 ? 33.491 37.377 52.258 1.00 36.88 ? 310 MET A CA 1 ATOM 1958 C C . MET A 1 248 ? 32.755 37.165 53.581 1.00 35.93 ? 310 MET A C 1 ATOM 1959 O O . MET A 1 248 ? 33.355 37.331 54.636 1.00 36.54 ? 310 MET A O 1 ATOM 1960 C CB . MET A 1 248 ? 33.218 38.797 51.735 1.00 40.84 ? 310 MET A CB 1 ATOM 1961 C CG . MET A 1 248 ? 34.148 39.241 50.609 1.00 49.75 ? 310 MET A CG 1 ATOM 1962 S SD . MET A 1 248 ? 35.942 38.892 50.708 1.00 59.41 ? 310 MET A SD 1 ATOM 1963 C CE . MET A 1 248 ? 36.590 39.940 52.023 1.00 60.07 ? 310 MET A CE 1 ATOM 1964 N N . TYR A 1 249 ? 31.486 36.790 53.561 1.00 35.03 ? 311 TYR A N 1 ATOM 1965 C CA . TYR A 1 249 ? 30.795 36.603 54.852 1.00 36.84 ? 311 TYR A CA 1 ATOM 1966 C C . TYR A 1 249 ? 31.489 35.521 55.697 1.00 34.71 ? 311 TYR A C 1 ATOM 1967 O O . TYR A 1 249 ? 31.728 35.703 56.898 1.00 33.44 ? 311 TYR A O 1 ATOM 1968 C CB . TYR A 1 249 ? 29.307 36.298 54.651 1.00 38.05 ? 311 TYR A CB 1 ATOM 1969 C CG . TYR A 1 249 ? 28.560 36.221 55.939 1.00 36.07 ? 311 TYR A CG 1 ATOM 1970 C CD1 . TYR A 1 249 ? 28.519 37.316 56.797 1.00 37.57 ? 311 TYR A CD1 1 ATOM 1971 C CD2 . TYR A 1 249 ? 27.888 35.076 56.301 1.00 36.73 ? 311 TYR A CD2 1 ATOM 1972 C CE1 . TYR A 1 249 ? 27.843 37.266 57.996 1.00 36.87 ? 311 TYR A CE1 1 ATOM 1973 C CE2 . TYR A 1 249 ? 27.211 35.005 57.519 1.00 38.12 ? 311 TYR A CE2 1 ATOM 1974 C CZ . TYR A 1 249 ? 27.200 36.098 58.361 1.00 36.34 ? 311 TYR A CZ 1 ATOM 1975 O OH . TYR A 1 249 ? 26.523 36.030 59.561 1.00 35.17 ? 311 TYR A OH 1 ATOM 1976 N N . ALA A 1 250 ? 31.830 34.396 55.069 1.00 32.24 ? 312 ALA A N 1 ATOM 1977 C CA . ALA A 1 250 ? 32.536 33.335 55.764 1.00 31.94 ? 312 ALA A CA 1 ATOM 1978 C C . ALA A 1 250 ? 33.830 33.836 56.398 1.00 31.23 ? 312 ALA A C 1 ATOM 1979 O O . ALA A 1 250 ? 34.125 33.530 57.552 1.00 31.69 ? 312 ALA A O 1 ATOM 1980 C CB . ALA A 1 250 ? 32.797 32.149 54.844 1.00 30.39 ? 312 ALA A CB 1 ATOM 1981 N N . LEU A 1 251 ? 34.595 34.616 55.641 1.00 33.42 ? 313 LEU A N 1 ATOM 1982 C CA . LEU A 1 251 ? 35.823 35.210 56.163 1.00 35.95 ? 313 LEU A CA 1 ATOM 1983 C C . LEU A 1 251 ? 35.529 36.144 57.352 1.00 34.87 ? 313 LEU A C 1 ATOM 1984 O O . LEU A 1 251 ? 36.232 36.117 58.359 1.00 36.30 ? 313 LEU A O 1 ATOM 1985 C CB . LEU A 1 251 ? 36.542 35.992 55.061 1.00 35.60 ? 313 LEU A CB 1 ATOM 1986 C CG . LEU A 1 251 ? 37.895 36.546 55.454 1.00 35.89 ? 313 LEU A CG 1 ATOM 1987 C CD1 . LEU A 1 251 ? 38.851 35.404 55.706 1.00 35.73 ? 313 LEU A CD1 1 ATOM 1988 C CD2 . LEU A 1 251 ? 38.454 37.500 54.393 1.00 35.06 ? 313 LEU A CD2 1 ATOM 1989 N N . ASN A 1 252 ? 34.526 36.991 57.204 1.00 33.68 ? 314 ASN A N 1 ATOM 1990 C CA . ASN A 1 252 ? 34.099 37.896 58.252 1.00 37.43 ? 314 ASN A CA 1 ATOM 1991 C C . ASN A 1 252 ? 33.843 37.199 59.594 1.00 37.70 ? 314 ASN A C 1 ATOM 1992 O O . ASN A 1 252 ? 34.227 37.727 60.630 1.00 36.92 ? 314 ASN A O 1 ATOM 1993 C CB . ASN A 1 252 ? 32.795 38.603 57.861 1.00 37.49 ? 314 ASN A CB 1 ATOM 1994 C CG . ASN A 1 252 ? 33.001 39.792 56.949 1.00 41.24 ? 314 ASN A CG 1 ATOM 1995 O OD1 . ASN A 1 252 ? 34.106 40.028 56.433 1.00 40.62 ? 314 ASN A OD1 1 ATOM 1996 N ND2 . ASN A 1 252 ? 31.904 40.544 56.714 1.00 41.79 ? 314 ASN A ND2 1 ATOM 1997 N N . VAL A 1 253 ? 33.165 36.054 59.586 1.00 33.27 ? 315 VAL A N 1 ATOM 1998 C CA . VAL A 1 253 ? 32.711 35.439 60.853 1.00 36.65 ? 315 VAL A CA 1 ATOM 1999 C C . VAL A 1 253 ? 33.723 34.474 61.453 1.00 34.91 ? 315 VAL A C 1 ATOM 2000 O O . VAL A 1 253 ? 33.635 34.142 62.664 1.00 31.82 ? 315 VAL A O 1 ATOM 2001 C CB . VAL A 1 253 ? 31.310 34.738 60.762 1.00 34.36 ? 315 VAL A CB 1 ATOM 2002 C CG1 . VAL A 1 253 ? 30.222 35.777 60.438 1.00 34.75 ? 315 VAL A CG1 1 ATOM 2003 C CG2 . VAL A 1 253 ? 31.325 33.555 59.776 1.00 30.30 ? 315 VAL A CG2 1 ATOM 2004 N N . THR A 1 254 ? 34.668 34.019 60.628 1.00 30.05 ? 316 THR A N 1 ATOM 2005 C CA . THR A 1 254 ? 35.546 32.932 61.029 1.00 31.40 ? 316 THR A CA 1 ATOM 2006 C C . THR A 1 254 ? 36.489 33.297 62.199 1.00 30.84 ? 316 THR A C 1 ATOM 2007 O O . THR A 1 254 ? 36.601 32.550 63.187 1.00 30.45 ? 316 THR A O 1 ATOM 2008 C CB . THR A 1 254 ? 36.315 32.332 59.834 1.00 29.67 ? 316 THR A CB 1 ATOM 2009 O OG1 . THR A 1 254 ? 35.394 31.631 59.000 1.00 30.32 ? 316 THR A OG1 1 ATOM 2010 C CG2 . THR A 1 254 ? 37.359 31.324 60.329 1.00 28.18 ? 316 THR A CG2 1 ATOM 2011 N N . GLY A 1 255 ? 37.130 34.459 62.085 1.00 32.99 ? 317 GLY A N 1 ATOM 2012 C CA . GLY A 1 255 ? 37.991 35.001 63.125 1.00 35.06 ? 317 GLY A CA 1 ATOM 2013 C C . GLY A 1 255 ? 37.259 35.138 64.454 1.00 32.13 ? 317 GLY A C 1 ATOM 2014 O O . GLY A 1 255 ? 37.714 34.585 65.442 1.00 33.08 ? 317 GLY A O 1 ATOM 2015 N N . PRO A 1 256 ? 36.116 35.853 64.478 1.00 34.54 ? 318 PRO A N 1 ATOM 2016 C CA . PRO A 1 256 ? 35.368 35.908 65.735 1.00 34.78 ? 318 PRO A CA 1 ATOM 2017 C C . PRO A 1 256 ? 34.957 34.533 66.294 1.00 33.03 ? 318 PRO A C 1 ATOM 2018 O O . PRO A 1 256 ? 35.023 34.332 67.508 1.00 34.26 ? 318 PRO A O 1 ATOM 2019 C CB . PRO A 1 256 ? 34.137 36.737 65.367 1.00 34.77 ? 318 PRO A CB 1 ATOM 2020 C CG . PRO A 1 256 ? 34.622 37.681 64.283 1.00 37.23 ? 318 PRO A CG 1 ATOM 2021 C CD . PRO A 1 256 ? 35.657 36.877 63.514 1.00 38.59 ? 318 PRO A CD 1 ATOM 2022 N N . ILE A 1 257 ? 34.543 33.600 65.441 1.00 32.76 ? 319 ILE A N 1 ATOM 2023 C CA . ILE A 1 257 ? 34.108 32.278 65.929 1.00 30.67 ? 319 ILE A CA 1 ATOM 2024 C C . ILE A 1 257 ? 35.274 31.513 66.548 1.00 30.98 ? 319 ILE A C 1 ATOM 2025 O O . ILE A 1 257 ? 35.152 30.945 67.633 1.00 28.24 ? 319 ILE A O 1 ATOM 2026 C CB . ILE A 1 257 ? 33.445 31.473 64.811 1.00 30.38 ? 319 ILE A CB 1 ATOM 2027 C CG1 . ILE A 1 257 ? 32.091 32.069 64.496 1.00 30.47 ? 319 ILE A CG1 1 ATOM 2028 C CG2 . ILE A 1 257 ? 33.290 30.018 65.206 1.00 27.97 ? 319 ILE A CG2 1 ATOM 2029 C CD1 . ILE A 1 257 ? 31.496 31.570 63.189 1.00 35.20 ? 319 ILE A CD1 1 ATOM 2030 N N . LEU A 1 258 ? 36.426 31.513 65.856 1.00 31.40 ? 320 LEU A N 1 ATOM 2031 C CA . LEU A 1 258 ? 37.623 30.881 66.413 1.00 29.73 ? 320 LEU A CA 1 ATOM 2032 C C . LEU A 1 258 ? 38.016 31.513 67.758 1.00 30.06 ? 320 LEU A C 1 ATOM 2033 O O . LEU A 1 258 ? 38.400 30.808 68.683 1.00 31.68 ? 320 LEU A O 1 ATOM 2034 C CB . LEU A 1 258 ? 38.798 30.980 65.441 1.00 29.26 ? 320 LEU A CB 1 ATOM 2035 C CG . LEU A 1 258 ? 38.650 30.121 64.201 1.00 30.63 ? 320 LEU A CG 1 ATOM 2036 C CD1 . LEU A 1 258 ? 39.832 30.352 63.278 1.00 31.18 ? 320 LEU A CD1 1 ATOM 2037 C CD2 . LEU A 1 258 ? 38.583 28.646 64.563 1.00 29.98 ? 320 LEU A CD2 1 ATOM 2038 N N . ASN A 1 259 ? 37.923 32.837 67.869 1.00 32.57 ? 321 ASN A N 1 ATOM 2039 C CA . ASN A 1 259 ? 38.244 33.515 69.131 1.00 34.54 ? 321 ASN A CA 1 ATOM 2040 C C . ASN A 1 259 ? 37.286 33.116 70.237 1.00 32.76 ? 321 ASN A C 1 ATOM 2041 O O . ASN A 1 259 ? 37.715 32.853 71.365 1.00 34.86 ? 321 ASN A O 1 ATOM 2042 C CB . ASN A 1 259 ? 38.174 35.033 68.986 1.00 38.23 ? 321 ASN A CB 1 ATOM 2043 C CG . ASN A 1 259 ? 39.328 35.600 68.185 1.00 45.57 ? 321 ASN A CG 1 ATOM 2044 O OD1 . ASN A 1 259 ? 40.384 34.972 68.054 1.00 45.83 ? 321 ASN A OD1 1 ATOM 2045 N ND2 . ASN A 1 259 ? 39.144 36.810 67.666 1.00 48.54 ? 321 ASN A ND2 1 ATOM 2046 N N . PHE A 1 260 ? 35.995 33.094 69.922 1.00 33.25 ? 322 PHE A N 1 ATOM 2047 C CA . PHE A 1 260 ? 35.010 32.675 70.906 1.00 34.37 ? 322 PHE A CA 1 ATOM 2048 C C . PHE A 1 260 ? 35.332 31.259 71.417 1.00 32.24 ? 322 PHE A C 1 ATOM 2049 O O . PHE A 1 260 ? 35.314 31.010 72.629 1.00 32.60 ? 322 PHE A O 1 ATOM 2050 C CB . PHE A 1 260 ? 33.596 32.669 70.320 1.00 33.48 ? 322 PHE A CB 1 ATOM 2051 C CG . PHE A 1 260 ? 32.594 32.045 71.235 1.00 33.02 ? 322 PHE A CG 1 ATOM 2052 C CD1 . PHE A 1 260 ? 32.050 32.794 72.275 1.00 36.63 ? 322 PHE A CD1 1 ATOM 2053 C CD2 . PHE A 1 260 ? 32.264 30.703 71.119 1.00 32.65 ? 322 PHE A CD2 1 ATOM 2054 C CE1 . PHE A 1 260 ? 31.137 32.224 73.146 1.00 35.93 ? 322 PHE A CE1 1 ATOM 2055 C CE2 . PHE A 1 260 ? 31.343 30.123 71.994 1.00 35.44 ? 322 PHE A CE2 1 ATOM 2056 C CZ . PHE A 1 260 ? 30.786 30.892 73.002 1.00 37.78 ? 322 PHE A CZ 1 ATOM 2057 N N . PHE A 1 261 ? 35.598 30.324 70.506 1.00 30.32 ? 323 PHE A N 1 ATOM 2058 C CA . PHE A 1 261 ? 35.820 28.950 70.952 1.00 29.60 ? 323 PHE A CA 1 ATOM 2059 C C . PHE A 1 261 ? 37.112 28.799 71.748 1.00 30.97 ? 323 PHE A C 1 ATOM 2060 O O . PHE A 1 261 ? 37.119 28.080 72.757 1.00 30.59 ? 323 PHE A O 1 ATOM 2061 C CB . PHE A 1 261 ? 35.741 27.925 69.804 1.00 26.59 ? 323 PHE A CB 1 ATOM 2062 C CG . PHE A 1 261 ? 34.335 27.646 69.338 1.00 28.24 ? 323 PHE A CG 1 ATOM 2063 C CD1 . PHE A 1 261 ? 33.368 27.247 70.234 1.00 29.17 ? 323 PHE A CD1 1 ATOM 2064 C CD2 . PHE A 1 261 ? 34.010 27.728 67.995 1.00 28.76 ? 323 PHE A CD2 1 ATOM 2065 C CE1 . PHE A 1 261 ? 32.072 26.992 69.799 1.00 29.46 ? 323 PHE A CE1 1 ATOM 2066 C CE2 . PHE A 1 261 ? 32.729 27.461 67.549 1.00 29.44 ? 323 PHE A CE2 1 ATOM 2067 C CZ . PHE A 1 261 ? 31.755 27.088 68.467 1.00 29.49 ? 323 PHE A CZ 1 ATOM 2068 N N . ALA A 1 262 ? 38.203 29.460 71.324 1.00 30.69 ? 324 ALA A N 1 ATOM 2069 C CA . ALA A 1 262 ? 39.456 29.393 72.117 1.00 31.34 ? 324 ALA A CA 1 ATOM 2070 C C . ALA A 1 262 ? 39.165 29.790 73.585 1.00 31.12 ? 324 ALA A C 1 ATOM 2071 O O . ALA A 1 262 ? 39.600 29.110 74.542 1.00 32.58 ? 324 ALA A O 1 ATOM 2072 C CB . ALA A 1 262 ? 40.595 30.252 71.521 1.00 28.55 ? 324 ALA A CB 1 ATOM 2073 N N . ASN A 1 263 ? 38.433 30.880 73.758 1.00 33.45 ? 325 ASN A N 1 ATOM 2074 C CA . ASN A 1 263 ? 38.006 31.309 75.091 1.00 34.95 ? 325 ASN A CA 1 ATOM 2075 C C . ASN A 1 263 ? 37.021 30.338 75.754 1.00 35.65 ? 325 ASN A C 1 ATOM 2076 O O . ASN A 1 263 ? 37.201 29.982 76.911 1.00 36.49 ? 325 ASN A O 1 ATOM 2077 C CB . ASN A 1 263 ? 37.402 32.713 75.025 1.00 36.61 ? 325 ASN A CB 1 ATOM 2078 C CG . ASN A 1 263 ? 36.859 33.164 76.348 1.00 40.73 ? 325 ASN A CG 1 ATOM 2079 O OD1 . ASN A 1 263 ? 35.678 32.992 76.645 1.00 47.27 ? 325 ASN A OD1 1 ATOM 2080 N ND2 . ASN A 1 263 ? 37.721 33.727 77.163 1.00 43.41 ? 325 ASN A ND2 1 ATOM 2081 N N . HIS A 1 264 ? 36.011 29.894 75.022 1.00 32.85 ? 326 HIS A N 1 ATOM 2082 C CA . HIS A 1 264 ? 34.998 29.007 75.578 1.00 33.30 ? 326 HIS A CA 1 ATOM 2083 C C . HIS A 1 264 ? 35.572 27.688 76.091 1.00 34.90 ? 326 HIS A C 1 ATOM 2084 O O . HIS A 1 264 ? 35.122 27.119 77.085 1.00 35.90 ? 326 HIS A O 1 ATOM 2085 C CB . HIS A 1 264 ? 33.981 28.709 74.496 1.00 32.47 ? 326 HIS A CB 1 ATOM 2086 C CG . HIS A 1 264 ? 32.805 27.936 74.977 1.00 35.10 ? 326 HIS A CG 1 ATOM 2087 N ND1 . HIS A 1 264 ? 31.839 28.484 75.802 1.00 33.80 ? 326 HIS A ND1 1 ATOM 2088 C CD2 . HIS A 1 264 ? 32.429 26.653 74.749 1.00 29.51 ? 326 HIS A CD2 1 ATOM 2089 C CE1 . HIS A 1 264 ? 30.909 27.573 76.041 1.00 35.09 ? 326 HIS A CE1 1 ATOM 2090 N NE2 . HIS A 1 264 ? 31.233 26.463 75.396 1.00 32.55 ? 326 HIS A NE2 1 ATOM 2091 N N . TYR A 1 265 ? 36.567 27.198 75.365 1.00 30.37 ? 327 TYR A N 1 ATOM 2092 C CA . TYR A 1 265 ? 37.202 25.925 75.649 1.00 29.35 ? 327 TYR A CA 1 ATOM 2093 C C . TYR A 1 265 ? 38.443 26.100 76.547 1.00 30.85 ? 327 TYR A C 1 ATOM 2094 O O . TYR A 1 265 ? 39.103 25.095 76.920 1.00 31.36 ? 327 TYR A O 1 ATOM 2095 C CB . TYR A 1 265 ? 37.638 25.273 74.330 1.00 27.47 ? 327 TYR A CB 1 ATOM 2096 C CG . TYR A 1 265 ? 36.567 24.740 73.391 1.00 26.15 ? 327 TYR A CG 1 ATOM 2097 C CD1 . TYR A 1 265 ? 35.590 23.866 73.832 1.00 27.09 ? 327 TYR A CD1 1 ATOM 2098 C CD2 . TYR A 1 265 ? 36.612 25.024 72.039 1.00 26.15 ? 327 TYR A CD2 1 ATOM 2099 C CE1 . TYR A 1 265 ? 34.644 23.329 72.968 1.00 29.07 ? 327 TYR A CE1 1 ATOM 2100 C CE2 . TYR A 1 265 ? 35.681 24.486 71.159 1.00 27.03 ? 327 TYR A CE2 1 ATOM 2101 C CZ . TYR A 1 265 ? 34.711 23.638 71.612 1.00 27.63 ? 327 TYR A CZ 1 ATOM 2102 O OH . TYR A 1 265 ? 33.829 23.092 70.731 1.00 28.05 ? 327 TYR A OH 1 ATOM 2103 N N . ASN A 1 266 ? 38.779 27.360 76.871 1.00 32.23 ? 328 ASN A N 1 ATOM 2104 C CA . ASN A 1 266 ? 39.996 27.679 77.627 1.00 31.86 ? 328 ASN A CA 1 ATOM 2105 C C . ASN A 1 266 ? 41.268 26.988 77.046 1.00 34.29 ? 328 ASN A C 1 ATOM 2106 O O . ASN A 1 266 ? 42.154 26.538 77.793 1.00 31.20 ? 328 ASN A O 1 ATOM 2107 C CB . ASN A 1 266 ? 39.737 27.312 79.113 1.00 35.52 ? 328 ASN A CB 1 ATOM 2108 C CG . ASN A 1 266 ? 40.864 27.652 80.061 1.00 38.82 ? 328 ASN A CG 1 ATOM 2109 O OD1 . ASN A 1 266 ? 41.372 26.768 80.779 1.00 44.33 ? 328 ASN A OD1 1 ATOM 2110 N ND2 . ASN A 1 266 ? 41.255 28.916 80.121 1.00 36.27 ? 328 ASN A ND2 1 ATOM 2111 N N . THR A 1 267 ? 41.325 26.919 75.708 1.00 30.18 ? 329 THR A N 1 ATOM 2112 C CA . THR A 1 267 ? 42.331 26.173 74.985 1.00 31.14 ? 329 THR A CA 1 ATOM 2113 C C . THR A 1 267 ? 42.587 26.891 73.641 1.00 31.60 ? 329 THR A C 1 ATOM 2114 O O . THR A 1 267 ? 41.655 27.140 72.848 1.00 32.29 ? 329 THR A O 1 ATOM 2115 C CB . THR A 1 267 ? 41.839 24.736 74.685 1.00 30.87 ? 329 THR A CB 1 ATOM 2116 O OG1 . THR A 1 267 ? 41.419 24.115 75.879 1.00 32.15 ? 329 THR A OG1 1 ATOM 2117 C CG2 . THR A 1 267 ? 42.962 23.879 74.071 1.00 32.07 ? 329 THR A CG2 1 ATOM 2118 N N . SER A 1 268 ? 43.850 27.238 73.395 1.00 31.25 ? 330 SER A N 1 ATOM 2119 C CA . SER A 1 268 ? 44.265 27.800 72.101 1.00 32.52 ? 330 SER A CA 1 ATOM 2120 C C . SER A 1 268 ? 43.902 26.918 70.903 1.00 31.28 ? 330 SER A C 1 ATOM 2121 O O . SER A 1 268 ? 43.919 25.695 70.997 1.00 30.75 ? 330 SER A O 1 ATOM 2122 C CB . SER A 1 268 ? 45.776 28.035 72.085 1.00 35.13 ? 330 SER A CB 1 ATOM 2123 O OG . SER A 1 268 ? 46.070 29.008 73.059 1.00 37.69 ? 330 SER A OG 1 ATOM 2124 N N . TYR A 1 269 ? 43.568 27.564 69.788 1.00 30.01 ? 331 TYR A N 1 ATOM 2125 C CA . TYR A 1 269 ? 43.281 26.862 68.559 1.00 29.60 ? 331 TYR A CA 1 ATOM 2126 C C . TYR A 1 269 ? 44.533 26.051 68.295 1.00 28.76 ? 331 TYR A C 1 ATOM 2127 O O . TYR A 1 269 ? 45.625 26.582 68.362 1.00 28.36 ? 331 TYR A O 1 ATOM 2128 C CB . TYR A 1 269 ? 43.046 27.884 67.460 1.00 31.57 ? 331 TYR A CB 1 ATOM 2129 C CG . TYR A 1 269 ? 42.917 27.296 66.082 1.00 29.10 ? 331 TYR A CG 1 ATOM 2130 C CD1 . TYR A 1 269 ? 41.813 26.561 65.740 1.00 29.83 ? 331 TYR A CD1 1 ATOM 2131 C CD2 . TYR A 1 269 ? 43.898 27.497 65.132 1.00 26.25 ? 331 TYR A CD2 1 ATOM 2132 C CE1 . TYR A 1 269 ? 41.679 25.999 64.490 1.00 30.87 ? 331 TYR A CE1 1 ATOM 2133 C CE2 . TYR A 1 269 ? 43.789 26.936 63.854 1.00 27.28 ? 331 TYR A CE2 1 ATOM 2134 C CZ . TYR A 1 269 ? 42.657 26.212 63.535 1.00 27.78 ? 331 TYR A CZ 1 ATOM 2135 O OH . TYR A 1 269 ? 42.487 25.680 62.284 1.00 26.82 ? 331 TYR A OH 1 ATOM 2136 N N . PRO A 1 270 ? 44.397 24.740 68.086 1.00 27.93 ? 332 PRO A N 1 ATOM 2137 C CA . PRO A 1 270 ? 45.561 23.854 68.147 1.00 27.49 ? 332 PRO A CA 1 ATOM 2138 C C . PRO A 1 270 ? 46.371 23.737 66.825 1.00 28.50 ? 332 PRO A C 1 ATOM 2139 O O . PRO A 1 270 ? 47.208 22.872 66.716 1.00 30.76 ? 332 PRO A O 1 ATOM 2140 C CB . PRO A 1 270 ? 44.944 22.492 68.506 1.00 25.67 ? 332 PRO A CB 1 ATOM 2141 C CG . PRO A 1 270 ? 43.540 22.567 68.015 1.00 28.30 ? 332 PRO A CG 1 ATOM 2142 C CD . PRO A 1 270 ? 43.127 24.009 68.085 1.00 28.06 ? 332 PRO A CD 1 ATOM 2143 N N . LEU A 1 271 ? 46.120 24.570 65.834 1.00 26.33 ? 333 LEU A N 1 ATOM 2144 C CA . LEU A 1 271 ? 46.775 24.423 64.514 1.00 27.28 ? 333 LEU A CA 1 ATOM 2145 C C . LEU A 1 271 ? 47.320 25.788 64.073 1.00 29.40 ? 333 LEU A C 1 ATOM 2146 O O . LEU A 1 271 ? 46.890 26.821 64.590 1.00 28.82 ? 333 LEU A O 1 ATOM 2147 C CB . LEU A 1 271 ? 45.791 23.910 63.443 1.00 27.52 ? 333 LEU A CB 1 ATOM 2148 C CG . LEU A 1 271 ? 45.233 22.520 63.680 1.00 25.66 ? 333 LEU A CG 1 ATOM 2149 C CD1 . LEU A 1 271 ? 44.208 22.247 62.611 1.00 26.77 ? 333 LEU A CD1 1 ATOM 2150 C CD2 . LEU A 1 271 ? 46.337 21.503 63.619 1.00 27.61 ? 333 LEU A CD2 1 ATOM 2151 N N . PRO A 1 272 ? 48.252 25.792 63.102 1.00 30.39 ? 334 PRO A N 1 ATOM 2152 C CA . PRO A 1 272 ? 48.814 27.078 62.677 1.00 31.43 ? 334 PRO A CA 1 ATOM 2153 C C . PRO A 1 272 ? 47.939 27.820 61.683 1.00 31.00 ? 334 PRO A C 1 ATOM 2154 O O . PRO A 1 272 ? 48.168 28.997 61.472 1.00 31.18 ? 334 PRO A O 1 ATOM 2155 C CB . PRO A 1 272 ? 50.146 26.699 62.020 1.00 32.90 ? 334 PRO A CB 1 ATOM 2156 C CG . PRO A 1 272 ? 50.019 25.272 61.654 1.00 30.42 ? 334 PRO A CG 1 ATOM 2157 C CD . PRO A 1 272 ? 49.011 24.640 62.577 1.00 28.51 ? 334 PRO A CD 1 ATOM 2158 N N . LYS A 1 273 ? 46.979 27.147 61.042 1.00 28.81 ? 335 LYS A N 1 ATOM 2159 C CA . LYS A 1 273 ? 46.123 27.816 60.069 1.00 30.15 ? 335 LYS A CA 1 ATOM 2160 C C . LYS A 1 273 ? 44.734 27.195 60.027 1.00 28.05 ? 335 LYS A C 1 ATOM 2161 O O . LYS A 1 273 ? 44.508 26.068 60.544 1.00 29.00 ? 335 LYS A O 1 ATOM 2162 C CB . LYS A 1 273 ? 46.776 27.850 58.673 1.00 28.64 ? 335 LYS A CB 1 ATOM 2163 C CG . LYS A 1 273 ? 47.073 26.473 58.082 1.00 27.38 ? 335 LYS A CG 1 ATOM 2164 C CD . LYS A 1 273 ? 45.893 25.843 57.372 1.00 27.00 ? 335 LYS A CD 1 ATOM 2165 C CE . LYS A 1 273 ? 46.351 24.541 56.734 1.00 26.82 ? 335 LYS A CE 1 ATOM 2166 N NZ . LYS A 1 273 ? 45.247 23.820 56.082 1.00 26.36 ? 335 LYS A NZ 1 ATOM 2167 N N . SER A 1 274 ? 43.809 27.926 59.422 1.00 27.54 ? 336 SER A N 1 ATOM 2168 C CA . SER A 1 274 ? 42.436 27.439 59.228 1.00 27.58 ? 336 SER A CA 1 ATOM 2169 C C . SER A 1 274 ? 42.113 27.638 57.777 1.00 28.72 ? 336 SER A C 1 ATOM 2170 O O . SER A 1 274 ? 42.107 28.797 57.322 1.00 30.75 ? 336 SER A O 1 ATOM 2171 C CB . SER A 1 274 ? 41.465 28.298 60.028 1.00 29.78 ? 336 SER A CB 1 ATOM 2172 O OG . SER A 1 274 ? 40.141 28.118 59.587 1.00 30.80 ? 336 SER A OG 1 ATOM 2173 N N . ASP A 1 275 ? 41.864 26.543 57.051 1.00 26.86 ? 337 ASP A N 1 ATOM 2174 C CA . ASP A 1 275 ? 41.334 26.641 55.694 1.00 26.96 ? 337 ASP A CA 1 ATOM 2175 C C . ASP A 1 275 ? 39.906 26.134 55.717 1.00 27.41 ? 337 ASP A C 1 ATOM 2176 O O . ASP A 1 275 ? 39.641 25.130 56.380 1.00 26.59 ? 337 ASP A O 1 ATOM 2177 C CB . ASP A 1 275 ? 42.133 25.744 54.742 1.00 27.72 ? 337 ASP A CB 1 ATOM 2178 C CG . ASP A 1 275 ? 43.467 26.361 54.322 1.00 27.62 ? 337 ASP A CG 1 ATOM 2179 O OD1 . ASP A 1 275 ? 43.546 27.599 54.194 1.00 28.47 ? 337 ASP A OD1 1 ATOM 2180 O OD2 . ASP A 1 275 ? 44.434 25.604 54.129 1.00 27.60 ? 337 ASP A OD2 1 ATOM 2181 N N . GLN A 1 276 ? 39.021 26.791 54.968 1.00 27.90 ? 338 GLN A N 1 ATOM 2182 C CA . GLN A 1 276 ? 37.683 26.282 54.761 1.00 26.25 ? 338 GLN A CA 1 ATOM 2183 C C . GLN A 1 276 ? 37.436 26.372 53.281 1.00 25.82 ? 338 GLN A C 1 ATOM 2184 O O . GLN A 1 276 ? 37.816 27.363 52.639 1.00 27.40 ? 338 GLN A O 1 ATOM 2185 C CB . GLN A 1 276 ? 36.701 27.116 55.552 1.00 27.34 ? 338 GLN A CB 1 ATOM 2186 C CG . GLN A 1 276 ? 36.842 26.968 57.041 1.00 26.32 ? 338 GLN A CG 1 ATOM 2187 C CD . GLN A 1 276 ? 35.878 27.888 57.766 1.00 29.31 ? 338 GLN A CD 1 ATOM 2188 O OE1 . GLN A 1 276 ? 34.799 27.455 58.198 1.00 30.28 ? 338 GLN A OE1 1 ATOM 2189 N NE2 . GLN A 1 276 ? 36.248 29.168 57.875 1.00 26.39 ? 338 GLN A NE2 1 ATOM 2190 N N . ILE A 1 277 ? 36.844 25.330 52.712 1.00 25.29 ? 339 ILE A N 1 ATOM 2191 C CA . ILE A 1 277 ? 36.682 25.279 51.265 1.00 26.47 ? 339 ILE A CA 1 ATOM 2192 C C . ILE A 1 277 ? 35.264 24.926 50.828 1.00 26.56 ? 339 ILE A C 1 ATOM 2193 O O . ILE A 1 277 ? 34.661 23.974 51.340 1.00 28.91 ? 339 ILE A O 1 ATOM 2194 C CB . ILE A 1 277 ? 37.741 24.317 50.669 1.00 26.86 ? 339 ILE A CB 1 ATOM 2195 C CG1 . ILE A 1 277 ? 37.746 24.304 49.142 1.00 29.30 ? 339 ILE A CG1 1 ATOM 2196 C CG2 . ILE A 1 277 ? 37.595 22.892 51.215 1.00 26.97 ? 339 ILE A CG2 1 ATOM 2197 C CD1 . ILE A 1 277 ? 39.048 23.709 48.579 1.00 30.02 ? 339 ILE A CD1 1 ATOM 2198 N N . ALA A 1 278 ? 34.793 25.674 49.834 1.00 28.96 ? 340 ALA A N 1 ATOM 2199 C CA . ALA A 1 278 ? 33.479 25.544 49.231 1.00 31.93 ? 340 ALA A CA 1 ATOM 2200 C C . ALA A 1 278 ? 33.566 24.646 47.996 1.00 32.02 ? 340 ALA A C 1 ATOM 2201 O O . ALA A 1 278 ? 34.094 25.046 46.980 1.00 30.52 ? 340 ALA A O 1 ATOM 2202 C CB . ALA A 1 278 ? 32.976 26.919 48.847 1.00 29.80 ? 340 ALA A CB 1 ATOM 2203 N N . LEU A 1 279 ? 33.018 23.441 48.094 1.00 32.22 ? 341 LEU A N 1 ATOM 2204 C CA . LEU A 1 279 ? 33.036 22.469 47.012 1.00 33.35 ? 341 LEU A CA 1 ATOM 2205 C C . LEU A 1 279 ? 31.685 22.383 46.301 1.00 36.64 ? 341 LEU A C 1 ATOM 2206 O O . LEU A 1 279 ? 30.656 22.274 46.924 1.00 34.12 ? 341 LEU A O 1 ATOM 2207 C CB . LEU A 1 279 ? 33.390 21.103 47.571 1.00 31.05 ? 341 LEU A CB 1 ATOM 2208 C CG . LEU A 1 279 ? 34.755 21.039 48.226 1.00 33.34 ? 341 LEU A CG 1 ATOM 2209 C CD1 . LEU A 1 279 ? 34.920 19.701 48.865 1.00 32.69 ? 341 LEU A CD1 1 ATOM 2210 C CD2 . LEU A 1 279 ? 35.865 21.250 47.190 1.00 32.77 ? 341 LEU A CD2 1 ATOM 2211 N N . PRO A 1 280 ? 31.698 22.397 44.971 1.00 42.70 ? 342 PRO A N 1 ATOM 2212 C CA . PRO A 1 280 ? 30.416 22.301 44.250 1.00 42.84 ? 342 PRO A CA 1 ATOM 2213 C C . PRO A 1 280 ? 29.725 20.939 44.474 1.00 42.28 ? 342 PRO A C 1 ATOM 2214 O O . PRO A 1 280 ? 30.333 19.944 44.238 1.00 40.93 ? 342 PRO A O 1 ATOM 2215 C CB . PRO A 1 280 ? 30.830 22.459 42.781 1.00 46.07 ? 342 PRO A CB 1 ATOM 2216 C CG . PRO A 1 280 ? 32.306 22.200 42.736 1.00 46.95 ? 342 PRO A CG 1 ATOM 2217 C CD . PRO A 1 280 ? 32.878 22.444 44.092 1.00 41.77 ? 342 PRO A CD 1 ATOM 2218 N N . ASP A 1 281 ? 28.495 20.929 44.939 1.00 55.15 ? 343 ASP A N 1 ATOM 2219 C CA . ASP A 1 281 ? 27.705 19.704 45.141 1.00 52.71 ? 343 ASP A CA 1 ATOM 2220 C C . ASP A 1 281 ? 28.191 18.633 46.143 1.00 51.97 ? 343 ASP A C 1 ATOM 2221 O O . ASP A 1 281 ? 27.921 17.470 45.949 1.00 64.04 ? 343 ASP A O 1 ATOM 2222 C CB . ASP A 1 281 ? 27.435 19.032 43.797 1.00 56.11 ? 343 ASP A CB 1 ATOM 2223 C CG . ASP A 1 281 ? 26.275 19.653 43.050 1.00 65.24 ? 343 ASP A CG 1 ATOM 2224 O OD1 . ASP A 1 281 ? 25.286 20.102 43.669 1.00 67.02 ? 343 ASP A OD1 1 ATOM 2225 O OD2 . ASP A 1 281 ? 26.352 19.682 41.820 1.00 74.40 ? 343 ASP A OD2 1 ATOM 2226 N N . PHE A 1 282 ? 28.830 19.028 47.232 1.00 46.46 ? 344 PHE A N 1 ATOM 2227 C CA . PHE A 1 282 ? 29.398 18.109 48.201 1.00 38.74 ? 344 PHE A CA 1 ATOM 2228 C C . PHE A 1 282 ? 28.210 17.644 48.976 1.00 37.56 ? 344 PHE A C 1 ATOM 2229 O O . PHE A 1 282 ? 27.677 18.343 49.785 1.00 47.94 ? 344 PHE A O 1 ATOM 2230 C CB . PHE A 1 282 ? 30.303 18.948 49.085 1.00 33.88 ? 344 PHE A CB 1 ATOM 2231 C CG . PHE A 1 282 ? 30.905 18.261 50.269 1.00 32.14 ? 344 PHE A CG 1 ATOM 2232 C CD1 . PHE A 1 282 ? 32.019 17.497 50.144 1.00 39.39 ? 344 PHE A CD1 1 ATOM 2233 C CD2 . PHE A 1 282 ? 30.444 18.517 51.514 1.00 36.72 ? 344 PHE A CD2 1 ATOM 2234 C CE1 . PHE A 1 282 ? 32.621 16.937 51.233 1.00 38.23 ? 344 PHE A CE1 1 ATOM 2235 C CE2 . PHE A 1 282 ? 31.031 17.965 52.619 1.00 35.90 ? 344 PHE A CE2 1 ATOM 2236 C CZ . PHE A 1 282 ? 32.131 17.175 52.478 1.00 34.69 ? 344 PHE A CZ 1 ATOM 2237 N N . ASN A 1 283 ? 27.823 16.424 48.719 1.00 40.38 ? 345 ASN A N 1 ATOM 2238 C CA . ASN A 1 283 ? 26.585 15.880 49.229 1.00 46.46 ? 345 ASN A CA 1 ATOM 2239 C C . ASN A 1 283 ? 26.470 15.715 50.734 1.00 42.19 ? 345 ASN A C 1 ATOM 2240 O O . ASN A 1 283 ? 25.396 15.723 51.263 1.00 48.70 ? 345 ASN A O 1 ATOM 2241 C CB . ASN A 1 283 ? 26.189 14.611 48.474 1.00 49.81 ? 345 ASN A CB 1 ATOM 2242 C CG . ASN A 1 283 ? 25.616 14.911 47.114 1.00 50.00 ? 345 ASN A CG 1 ATOM 2243 O OD1 . ASN A 1 283 ? 24.920 15.878 46.930 1.00 58.57 ? 345 ASN A OD1 1 ATOM 2244 N ND2 . ASN A 1 283 ? 25.919 14.081 46.162 1.00 53.32 ? 345 ASN A ND2 1 ATOM 2245 N N . ALA A 1 284 ? 27.581 15.533 51.405 1.00 36.43 ? 346 ALA A N 1 ATOM 2246 C CA . ALA A 1 284 ? 27.576 15.505 52.852 1.00 35.74 ? 346 ALA A CA 1 ATOM 2247 C C . ALA A 1 284 ? 27.369 16.813 53.588 1.00 41.43 ? 346 ALA A C 1 ATOM 2248 O O . ALA A 1 284 ? 27.392 16.792 54.831 1.00 48.09 ? 346 ALA A O 1 ATOM 2249 C CB . ALA A 1 284 ? 28.842 14.865 53.355 1.00 41.19 ? 346 ALA A CB 1 ATOM 2250 N N . GLY A 1 285 ? 27.212 17.966 52.928 1.00 37.00 ? 347 GLY A N 1 ATOM 2251 C CA . GLY A 1 285 ? 26.991 19.199 53.774 1.00 35.60 ? 347 GLY A CA 1 ATOM 2252 C C . GLY A 1 285 ? 28.248 19.934 54.236 1.00 34.69 ? 347 GLY A C 1 ATOM 2253 O O . GLY A 1 285 ? 28.544 21.054 53.771 1.00 34.55 ? 347 GLY A O 1 ATOM 2254 N N . ALA A 1 286 ? 28.946 19.344 55.211 1.00 30.34 ? 348 ALA A N 1 ATOM 2255 C CA . ALA A 1 286 ? 30.217 19.873 55.729 1.00 27.34 ? 348 ALA A CA 1 ATOM 2256 C C . ALA A 1 286 ? 30.966 18.779 56.461 1.00 26.63 ? 348 ALA A C 1 ATOM 2257 O O . ALA A 1 286 ? 30.350 17.853 56.954 1.00 27.93 ? 348 ALA A O 1 ATOM 2258 C CB . ALA A 1 286 ? 29.982 21.056 56.641 1.00 27.98 ? 348 ALA A CB 1 ATOM 2259 N N . MET A 1 287 ? 32.290 18.863 56.515 1.00 25.54 ? 349 MET A N 1 ATOM 2260 C CA . MET A 1 287 ? 33.115 17.889 57.240 1.00 24.91 ? 349 MET A CA 1 ATOM 2261 C C . MET A 1 287 ? 34.284 18.591 57.922 1.00 24.39 ? 349 MET A C 1 ATOM 2262 O O . MET A 1 287 ? 35.029 19.333 57.282 1.00 24.23 ? 349 MET A O 1 ATOM 2263 C CB . MET A 1 287 ? 33.616 16.777 56.289 1.00 24.75 ? 349 MET A CB 1 ATOM 2264 C CG . MET A 1 287 ? 34.508 15.738 56.948 1.00 23.36 ? 349 MET A CG 1 ATOM 2265 S SD . MET A 1 287 ? 33.644 14.890 58.279 1.00 24.77 ? 349 MET A SD 1 ATOM 2266 C CE . MET A 1 287 ? 35.001 14.532 59.372 1.00 23.42 ? 349 MET A CE 1 ATOM 2267 N N . GLU A 1 288 ? 34.456 18.300 59.213 1.00 23.30 ? 350 GLU A N 1 ATOM 2268 C CA . GLU A 1 288 ? 35.351 19.016 60.108 1.00 24.75 ? 350 GLU A CA 1 ATOM 2269 C C . GLU A 1 288 ? 36.863 18.640 60.050 1.00 24.74 ? 350 GLU A C 1 ATOM 2270 O O . GLU A 1 288 ? 37.559 18.697 61.065 1.00 22.48 ? 350 GLU A O 1 ATOM 2271 C CB . GLU A 1 288 ? 34.818 18.889 61.570 1.00 24.29 ? 350 GLU A CB 1 ATOM 2272 C CG . GLU A 1 288 ? 34.968 17.486 62.185 1.00 23.44 ? 350 GLU A CG 1 ATOM 2273 C CD . GLU A 1 288 ? 33.781 16.576 61.992 1.00 24.37 ? 350 GLU A CD 1 ATOM 2274 O OE1 . GLU A 1 288 ? 32.899 16.865 61.137 1.00 25.39 ? 350 GLU A OE1 1 ATOM 2275 O OE2 . GLU A 1 288 ? 33.751 15.536 62.715 1.00 25.28 ? 350 GLU A OE2 1 ATOM 2276 N N . ASN A 1 289 ? 37.366 18.284 58.870 1.00 22.98 ? 351 ASN A N 1 ATOM 2277 C CA . ASN A 1 289 ? 38.768 17.828 58.753 1.00 23.83 ? 351 ASN A CA 1 ATOM 2278 C C . ASN A 1 289 ? 39.650 18.891 59.382 1.00 22.30 ? 351 ASN A C 1 ATOM 2279 O O . ASN A 1 289 ? 39.469 20.109 59.162 1.00 23.59 ? 351 ASN A O 1 ATOM 2280 C CB . ASN A 1 289 ? 39.224 17.581 57.302 1.00 22.92 ? 351 ASN A CB 1 ATOM 2281 C CG . ASN A 1 289 ? 38.135 16.940 56.434 1.00 22.95 ? 351 ASN A CG 1 ATOM 2282 O OD1 . ASN A 1 289 ? 37.789 15.760 56.595 1.00 21.91 ? 351 ASN A OD1 1 ATOM 2283 N ND2 . ASN A 1 289 ? 37.558 17.740 55.549 1.00 23.48 ? 351 ASN A ND2 1 ATOM 2284 N N . TRP A 1 290 ? 40.639 18.423 60.139 1.00 23.02 ? 352 TRP A N 1 ATOM 2285 C CA . TRP A 1 290 ? 41.318 19.280 61.105 1.00 23.74 ? 352 TRP A CA 1 ATOM 2286 C C . TRP A 1 290 ? 42.264 20.218 60.375 1.00 24.09 ? 352 TRP A C 1 ATOM 2287 O O . TRP A 1 290 ? 43.248 19.758 59.808 1.00 24.36 ? 352 TRP A O 1 ATOM 2288 C CB . TRP A 1 290 ? 42.080 18.426 62.120 1.00 22.50 ? 352 TRP A CB 1 ATOM 2289 C CG . TRP A 1 290 ? 42.255 19.008 63.478 1.00 22.60 ? 352 TRP A CG 1 ATOM 2290 C CD1 . TRP A 1 290 ? 41.649 20.125 63.990 1.00 23.83 ? 352 TRP A CD1 1 ATOM 2291 C CD2 . TRP A 1 290 ? 43.067 18.487 64.500 1.00 23.25 ? 352 TRP A CD2 1 ATOM 2292 N NE1 . TRP A 1 290 ? 42.046 20.325 65.284 1.00 24.37 ? 352 TRP A NE1 1 ATOM 2293 C CE2 . TRP A 1 290 ? 42.928 19.334 65.627 1.00 25.33 ? 352 TRP A CE2 1 ATOM 2294 C CE3 . TRP A 1 290 ? 43.934 17.381 64.584 1.00 24.61 ? 352 TRP A CE3 1 ATOM 2295 C CZ2 . TRP A 1 290 ? 43.596 19.095 66.840 1.00 24.06 ? 352 TRP A CZ2 1 ATOM 2296 C CZ3 . TRP A 1 290 ? 44.635 17.155 65.805 1.00 24.20 ? 352 TRP A CZ3 1 ATOM 2297 C CH2 . TRP A 1 290 ? 44.431 18.003 66.924 1.00 25.68 ? 352 TRP A CH2 1 ATOM 2298 N N . GLY A 1 291 ? 41.912 21.501 60.295 1.00 24.72 ? 353 GLY A N 1 ATOM 2299 C CA . GLY A 1 291 ? 42.690 22.463 59.509 1.00 25.73 ? 353 GLY A CA 1 ATOM 2300 C C . GLY A 1 291 ? 42.248 22.717 58.080 1.00 25.30 ? 353 GLY A C 1 ATOM 2301 O O . GLY A 1 291 ? 42.736 23.646 57.429 1.00 26.54 ? 353 GLY A O 1 ATOM 2302 N N . LEU A 1 292 ? 41.322 21.908 57.581 1.00 24.29 ? 354 LEU A N 1 ATOM 2303 C CA . LEU A 1 292 ? 40.857 21.978 56.199 1.00 25.06 ? 354 LEU A CA 1 ATOM 2304 C C . LEU A 1 292 ? 39.397 21.492 56.136 1.00 25.21 ? 354 LEU A C 1 ATOM 2305 O O . LEU A 1 292 ? 39.085 20.364 55.713 1.00 24.49 ? 354 LEU A O 1 ATOM 2306 C CB . LEU A 1 292 ? 41.796 21.203 55.257 1.00 24.46 ? 354 LEU A CB 1 ATOM 2307 C CG . LEU A 1 292 ? 41.489 21.196 53.766 1.00 25.54 ? 354 LEU A CG 1 ATOM 2308 C CD1 . LEU A 1 292 ? 41.405 22.618 53.192 1.00 26.41 ? 354 LEU A CD1 1 ATOM 2309 C CD2 . LEU A 1 292 ? 42.551 20.414 52.999 1.00 25.51 ? 354 LEU A CD2 1 ATOM 2310 N N . VAL A 1 293 ? 38.494 22.373 56.572 1.00 25.86 ? 355 VAL A N 1 ATOM 2311 C CA . VAL A 1 293 ? 37.082 22.020 56.648 1.00 25.76 ? 355 VAL A CA 1 ATOM 2312 C C . VAL A 1 293 ? 36.432 22.155 55.279 1.00 24.59 ? 355 VAL A C 1 ATOM 2313 O O . VAL A 1 293 ? 36.594 23.174 54.614 1.00 25.55 ? 355 VAL A O 1 ATOM 2314 C CB . VAL A 1 293 ? 36.374 22.960 57.655 1.00 25.43 ? 355 VAL A CB 1 ATOM 2315 C CG1 . VAL A 1 293 ? 34.916 22.566 57.824 1.00 25.47 ? 355 VAL A CG1 1 ATOM 2316 C CG2 . VAL A 1 293 ? 37.089 22.882 58.980 1.00 24.10 ? 355 VAL A CG2 1 ATOM 2317 N N . THR A 1 294 ? 35.687 21.135 54.865 1.00 25.23 ? 356 THR A N 1 ATOM 2318 C CA . THR A 1 294 ? 35.001 21.127 53.554 1.00 25.12 ? 356 THR A CA 1 ATOM 2319 C C . THR A 1 294 ? 33.503 21.421 53.749 1.00 27.22 ? 356 THR A C 1 ATOM 2320 O O . THR A 1 294 ? 32.891 20.993 54.755 1.00 27.02 ? 356 THR A O 1 ATOM 2321 C CB . THR A 1 294 ? 35.143 19.768 52.867 1.00 24.74 ? 356 THR A CB 1 ATOM 2322 O OG1 . THR A 1 294 ? 34.866 18.731 53.821 1.00 24.95 ? 356 THR A OG1 1 ATOM 2323 C CG2 . THR A 1 294 ? 36.568 19.558 52.338 1.00 25.99 ? 356 THR A CG2 1 ATOM 2324 N N . TYR A 1 295 ? 32.934 22.142 52.784 1.00 27.26 ? 357 TYR A N 1 ATOM 2325 C CA . TYR A 1 295 ? 31.547 22.500 52.779 1.00 27.25 ? 357 TYR A CA 1 ATOM 2326 C C . TYR A 1 295 ? 31.008 22.381 51.368 1.00 28.41 ? 357 TYR A C 1 ATOM 2327 O O . TYR A 1 295 ? 31.719 22.641 50.389 1.00 28.64 ? 357 TYR A O 1 ATOM 2328 C CB . TYR A 1 295 ? 31.380 23.957 53.171 1.00 27.42 ? 357 TYR A CB 1 ATOM 2329 C CG . TYR A 1 295 ? 31.857 24.371 54.544 1.00 28.62 ? 357 TYR A CG 1 ATOM 2330 C CD1 . TYR A 1 295 ? 33.187 24.659 54.782 1.00 26.79 ? 357 TYR A CD1 1 ATOM 2331 C CD2 . TYR A 1 295 ? 30.960 24.521 55.584 1.00 29.83 ? 357 TYR A CD2 1 ATOM 2332 C CE1 . TYR A 1 295 ? 33.625 25.063 56.028 1.00 28.08 ? 357 TYR A CE1 1 ATOM 2333 C CE2 . TYR A 1 295 ? 31.373 24.934 56.846 1.00 26.46 ? 357 TYR A CE2 1 ATOM 2334 C CZ . TYR A 1 295 ? 32.694 25.205 57.071 1.00 27.31 ? 357 TYR A CZ 1 ATOM 2335 O OH . TYR A 1 295 ? 33.094 25.617 58.327 1.00 29.05 ? 357 TYR A OH 1 ATOM 2336 N N . ARG A 1 296 ? 29.735 22.084 51.248 1.00 30.34 ? 358 ARG A N 1 ATOM 2337 C CA . ARG A 1 296 ? 29.020 22.295 50.031 1.00 31.96 ? 358 ARG A CA 1 ATOM 2338 C C . ARG A 1 296 ? 29.072 23.787 49.774 1.00 32.26 ? 358 ARG A C 1 ATOM 2339 O O . ARG A 1 296 ? 28.970 24.557 50.680 1.00 31.73 ? 358 ARG A O 1 ATOM 2340 C CB . ARG A 1 296 ? 27.584 21.858 50.203 1.00 36.68 ? 358 ARG A CB 1 ATOM 2341 C CG . ARG A 1 296 ? 26.769 21.956 48.949 1.00 42.22 ? 358 ARG A CG 1 ATOM 2342 C CD . ARG A 1 296 ? 25.281 21.848 49.201 1.00 44.40 ? 358 ARG A CD 1 ATOM 2343 N NE . ARG A 1 296 ? 24.998 20.846 50.190 1.00 44.09 ? 358 ARG A NE 1 ATOM 2344 C CZ . ARG A 1 296 ? 24.555 19.642 49.896 1.00 50.98 ? 358 ARG A CZ 1 ATOM 2345 N NH1 . ARG A 1 296 ? 24.326 18.777 50.858 1.00 63.02 ? 358 ARG A NH1 1 ATOM 2346 N NH2 . ARG A 1 296 ? 24.331 19.309 48.646 1.00 51.12 ? 358 ARG A NH2 1 ATOM 2347 N N . GLU A 1 297 ? 29.236 24.192 48.531 1.00 37.27 ? 359 GLU A N 1 ATOM 2348 C CA . GLU A 1 297 ? 29.406 25.627 48.230 1.00 39.33 ? 359 GLU A CA 1 ATOM 2349 C C . GLU A 1 297 ? 28.335 26.480 48.771 1.00 36.59 ? 359 GLU A C 1 ATOM 2350 O O . GLU A 1 297 ? 28.591 27.505 49.354 1.00 39.68 ? 359 GLU A O 1 ATOM 2351 C CB . GLU A 1 297 ? 29.213 25.926 46.773 1.00 43.37 ? 359 GLU A CB 1 ATOM 2352 C CG . GLU A 1 297 ? 30.361 25.641 45.948 1.00 45.78 ? 359 GLU A CG 1 ATOM 2353 C CD . GLU A 1 297 ? 30.288 26.466 44.694 1.00 47.72 ? 359 GLU A CD 1 ATOM 2354 O OE1 . GLU A 1 297 ? 29.261 27.140 44.387 1.00 49.28 ? 359 GLU A OE1 1 ATOM 2355 O OE2 . GLU A 1 297 ? 31.286 26.399 44.002 1.00 44.20 ? 359 GLU A OE2 1 ATOM 2356 N N . ASN A 1 298 ? 27.116 26.104 48.500 1.00 36.38 ? 360 ASN A N 1 ATOM 2357 C CA . ASN A 1 298 ? 26.023 26.935 48.863 1.00 40.82 ? 360 ASN A CA 1 ATOM 2358 C C . ASN A 1 298 ? 25.856 27.023 50.353 1.00 40.38 ? 360 ASN A C 1 ATOM 2359 O O . ASN A 1 298 ? 25.123 27.822 50.829 1.00 49.50 ? 360 ASN A O 1 ATOM 2360 C CB . ASN A 1 298 ? 24.752 26.498 48.159 1.00 52.11 ? 360 ASN A CB 1 ATOM 2361 C CG . ASN A 1 298 ? 24.109 25.304 48.799 1.00 62.52 ? 360 ASN A CG 1 ATOM 2362 O OD1 . ASN A 1 298 ? 24.135 24.215 48.256 1.00 75.62 ? 360 ASN A OD1 1 ATOM 2363 N ND2 . ASN A 1 298 ? 23.501 25.505 49.943 1.00 64.95 ? 360 ASN A ND2 1 ATOM 2364 N N . ALA A 1 299 ? 26.574 26.218 51.095 1.00 35.12 ? 361 ALA A N 1 ATOM 2365 C CA . ALA A 1 299 ? 26.561 26.334 52.553 1.00 36.48 ? 361 ALA A CA 1 ATOM 2366 C C . ALA A 1 299 ? 27.608 27.279 53.131 1.00 37.66 ? 361 ALA A C 1 ATOM 2367 O O . ALA A 1 299 ? 27.492 27.697 54.278 1.00 40.99 ? 361 ALA A O 1 ATOM 2368 C CB . ALA A 1 299 ? 26.781 24.957 53.154 1.00 37.67 ? 361 ALA A CB 1 ATOM 2369 N N . LEU A 1 300 ? 28.692 27.521 52.394 1.00 36.00 ? 362 LEU A N 1 ATOM 2370 C CA . LEU A 1 300 ? 29.764 28.384 52.877 1.00 32.35 ? 362 LEU A CA 1 ATOM 2371 C C . LEU A 1 300 ? 29.764 29.764 52.208 1.00 32.87 ? 362 LEU A C 1 ATOM 2372 O O . LEU A 1 300 ? 30.127 30.757 52.813 1.00 33.14 ? 362 LEU A O 1 ATOM 2373 C CB . LEU A 1 300 ? 31.121 27.717 52.651 1.00 31.20 ? 362 LEU A CB 1 ATOM 2374 C CG . LEU A 1 300 ? 32.359 28.410 53.214 1.00 31.14 ? 362 LEU A CG 1 ATOM 2375 C CD1 . LEU A 1 300 ? 32.371 28.439 54.730 1.00 29.48 ? 362 LEU A CD1 1 ATOM 2376 C CD2 . LEU A 1 300 ? 33.620 27.745 52.716 1.00 30.79 ? 362 LEU A CD2 1 ATOM 2377 N N . LEU A 1 301 ? 29.399 29.792 50.934 1.00 35.98 ? 363 LEU A N 1 ATOM 2378 C CA . LEU A 1 301 ? 29.381 31.019 50.145 1.00 36.09 ? 363 LEU A CA 1 ATOM 2379 C C . LEU A 1 301 ? 28.083 31.736 50.385 1.00 37.33 ? 363 LEU A C 1 ATOM 2380 O O . LEU A 1 301 ? 27.074 31.114 50.747 1.00 37.97 ? 363 LEU A O 1 ATOM 2381 C CB . LEU A 1 301 ? 29.516 30.700 48.660 1.00 36.03 ? 363 LEU A CB 1 ATOM 2382 C CG . LEU A 1 301 ? 30.799 29.941 48.277 1.00 38.62 ? 363 LEU A CG 1 ATOM 2383 C CD1 . LEU A 1 301 ? 30.848 29.813 46.764 1.00 40.80 ? 363 LEU A CD1 1 ATOM 2384 C CD2 . LEU A 1 301 ? 32.090 30.576 48.813 1.00 38.71 ? 363 LEU A CD2 1 ATOM 2385 N N . PHE A 1 302 ? 28.109 33.051 50.184 1.00 37.14 ? 364 PHE A N 1 ATOM 2386 C CA . PHE A 1 302 ? 26.962 33.888 50.454 1.00 38.06 ? 364 PHE A CA 1 ATOM 2387 C C . PHE A 1 302 ? 26.959 35.052 49.477 1.00 39.06 ? 364 PHE A C 1 ATOM 2388 O O . PHE A 1 302 ? 27.960 35.755 49.363 1.00 38.42 ? 364 PHE A O 1 ATOM 2389 C CB . PHE A 1 302 ? 27.022 34.393 51.898 1.00 35.70 ? 364 PHE A CB 1 ATOM 2390 C CG . PHE A 1 302 ? 25.883 35.288 52.249 1.00 39.56 ? 364 PHE A CG 1 ATOM 2391 C CD1 . PHE A 1 302 ? 24.590 34.776 52.408 1.00 40.04 ? 364 PHE A CD1 1 ATOM 2392 C CD2 . PHE A 1 302 ? 26.085 36.647 52.388 1.00 41.07 ? 364 PHE A CD2 1 ATOM 2393 C CE1 . PHE A 1 302 ? 23.545 35.629 52.719 1.00 44.69 ? 364 PHE A CE1 1 ATOM 2394 C CE2 . PHE A 1 302 ? 25.042 37.499 52.698 1.00 42.86 ? 364 PHE A CE2 1 ATOM 2395 C CZ . PHE A 1 302 ? 23.768 36.993 52.858 1.00 45.05 ? 364 PHE A CZ 1 ATOM 2396 N N . ASP A 1 303 ? 25.847 35.217 48.755 1.00 39.88 ? 365 ASP A N 1 ATOM 2397 C CA . ASP A 1 303 ? 25.658 36.329 47.852 1.00 43.97 ? 365 ASP A CA 1 ATOM 2398 C C . ASP A 1 303 ? 24.655 37.319 48.436 1.00 45.15 ? 365 ASP A C 1 ATOM 2399 O O . ASP A 1 303 ? 23.447 37.101 48.382 1.00 47.03 ? 365 ASP A O 1 ATOM 2400 C CB . ASP A 1 303 ? 25.174 35.857 46.480 1.00 43.04 ? 365 ASP A CB 1 ATOM 2401 C CG . ASP A 1 303 ? 24.826 37.028 45.563 1.00 50.92 ? 365 ASP A CG 1 ATOM 2402 O OD1 . ASP A 1 303 ? 25.573 38.030 45.563 1.00 51.95 ? 365 ASP A OD1 1 ATOM 2403 O OD2 . ASP A 1 303 ? 23.783 36.969 44.880 1.00 52.57 ? 365 ASP A OD2 1 ATOM 2404 N N . PRO A 1 304 ? 25.153 38.429 48.989 1.00 45.16 ? 366 PRO A N 1 ATOM 2405 C CA . PRO A 1 304 ? 24.278 39.362 49.720 1.00 48.92 ? 366 PRO A CA 1 ATOM 2406 C C . PRO A 1 304 ? 23.112 39.810 48.870 1.00 51.50 ? 366 PRO A C 1 ATOM 2407 O O . PRO A 1 304 ? 21.989 39.936 49.362 1.00 57.96 ? 366 PRO A O 1 ATOM 2408 C CB . PRO A 1 304 ? 25.175 40.577 49.981 1.00 52.72 ? 366 PRO A CB 1 ATOM 2409 C CG . PRO A 1 304 ? 26.589 40.066 49.864 1.00 52.55 ? 366 PRO A CG 1 ATOM 2410 C CD . PRO A 1 304 ? 26.576 38.831 49.003 1.00 43.21 ? 366 PRO A CD 1 ATOM 2411 N N . GLN A 1 305 ? 23.409 40.056 47.596 1.00 51.39 ? 367 GLN A N 1 ATOM 2412 C CA . GLN A 1 305 ? 22.456 40.606 46.661 1.00 53.65 ? 367 GLN A CA 1 ATOM 2413 C C . GLN A 1 305 ? 21.249 39.730 46.510 1.00 53.36 ? 367 GLN A C 1 ATOM 2414 O O . GLN A 1 305 ? 20.144 40.230 46.379 1.00 62.39 ? 367 GLN A O 1 ATOM 2415 C CB . GLN A 1 305 ? 23.092 40.695 45.289 1.00 62.12 ? 367 GLN A CB 1 ATOM 2416 C CG . GLN A 1 305 ? 24.171 41.747 45.192 1.00 71.80 ? 367 GLN A CG 1 ATOM 2417 C CD . GLN A 1 305 ? 23.971 42.650 43.985 1.00 75.81 ? 367 GLN A CD 1 ATOM 2418 O OE1 . GLN A 1 305 ? 22.840 43.003 43.642 1.00 92.74 ? 367 GLN A OE1 1 ATOM 2419 N NE2 . GLN A 1 305 ? 25.074 43.043 43.336 1.00 88.07 ? 367 GLN A NE2 1 ATOM 2420 N N . SER A 1 306 ? 21.457 38.424 46.465 1.00 48.52 ? 368 SER A N 1 ATOM 2421 C CA . SER A 1 306 ? 20.355 37.517 46.133 1.00 50.90 ? 368 SER A CA 1 ATOM 2422 C C . SER A 1 306 ? 19.977 36.568 47.256 1.00 54.82 ? 368 SER A C 1 ATOM 2423 O O . SER A 1 306 ? 19.017 35.804 47.123 1.00 53.07 ? 368 SER A O 1 ATOM 2424 C CB . SER A 1 306 ? 20.677 36.705 44.877 1.00 53.05 ? 368 SER A CB 1 ATOM 2425 O OG . SER A 1 306 ? 21.575 35.659 45.182 1.00 48.07 ? 368 SER A OG 1 ATOM 2426 N N . SER A 1 307 ? 20.705 36.612 48.367 1.00 55.19 ? 369 SER A N 1 ATOM 2427 C CA . SER A 1 307 ? 20.461 35.663 49.455 1.00 47.59 ? 369 SER A CA 1 ATOM 2428 C C . SER A 1 307 ? 19.587 36.214 50.546 1.00 47.43 ? 369 SER A C 1 ATOM 2429 O O . SER A 1 307 ? 19.700 37.383 50.893 1.00 48.35 ? 369 SER A O 1 ATOM 2430 C CB . SER A 1 307 ? 21.779 35.236 50.052 1.00 43.10 ? 369 SER A CB 1 ATOM 2431 O OG . SER A 1 307 ? 22.602 34.724 49.028 1.00 48.75 ? 369 SER A OG 1 ATOM 2432 N N . SER A 1 308 ? 18.725 35.362 51.098 1.00 44.86 ? 370 SER A N 1 ATOM 2433 C CA . SER A 1 308 ? 17.890 35.750 52.197 1.00 43.86 ? 370 SER A CA 1 ATOM 2434 C C . SER A 1 308 ? 18.690 35.732 53.498 1.00 43.83 ? 370 SER A C 1 ATOM 2435 O O . SER A 1 308 ? 19.795 35.197 53.590 1.00 46.99 ? 370 SER A O 1 ATOM 2436 C CB . SER A 1 308 ? 16.686 34.806 52.327 1.00 43.19 ? 370 SER A CB 1 ATOM 2437 O OG . SER A 1 308 ? 17.136 33.532 52.794 1.00 45.37 ? 370 SER A OG 1 ATOM 2438 N N . ILE A 1 309 ? 18.095 36.328 54.509 1.00 43.73 ? 371 ILE A N 1 ATOM 2439 C CA . ILE A 1 309 ? 18.639 36.300 55.846 1.00 43.65 ? 371 ILE A CA 1 ATOM 2440 C C . ILE A 1 309 ? 18.729 34.866 56.406 1.00 42.21 ? 371 ILE A C 1 ATOM 2441 O O . ILE A 1 309 ? 19.663 34.562 57.143 1.00 38.75 ? 371 ILE A O 1 ATOM 2442 C CB . ILE A 1 309 ? 17.826 37.228 56.763 1.00 47.33 ? 371 ILE A CB 1 ATOM 2443 C CG1 . ILE A 1 309 ? 18.525 37.440 58.112 1.00 45.15 ? 371 ILE A CG1 1 ATOM 2444 C CG2 . ILE A 1 309 ? 16.403 36.721 56.934 1.00 48.38 ? 371 ILE A CG2 1 ATOM 2445 C CD1 . ILE A 1 309 ? 19.678 38.405 58.059 1.00 47.71 ? 371 ILE A CD1 1 ATOM 2446 N N . SER A 1 310 ? 17.805 33.984 56.079 1.00 41.69 ? 372 SER A N 1 ATOM 2447 C CA . SER A 1 310 ? 17.880 32.643 56.621 1.00 41.69 ? 372 SER A CA 1 ATOM 2448 C C . SER A 1 310 ? 19.086 31.940 56.021 1.00 42.55 ? 372 SER A C 1 ATOM 2449 O O . SER A 1 310 ? 19.750 31.164 56.636 1.00 40.93 ? 372 SER A O 1 ATOM 2450 C CB . SER A 1 310 ? 16.610 31.876 56.349 1.00 44.37 ? 372 SER A CB 1 ATOM 2451 O OG . SER A 1 310 ? 16.526 31.544 55.005 1.00 52.36 ? 372 SER A OG 1 ATOM 2452 N N . ASN A 1 311 ? 19.350 32.273 54.797 1.00 44.68 ? 373 ASN A N 1 ATOM 2453 C CA . ASN A 1 311 ? 20.527 31.877 54.112 1.00 42.73 ? 373 ASN A CA 1 ATOM 2454 C C . ASN A 1 311 ? 21.816 32.274 54.830 1.00 42.82 ? 373 ASN A C 1 ATOM 2455 O O . ASN A 1 311 ? 22.753 31.519 54.926 1.00 40.28 ? 373 ASN A O 1 ATOM 2456 C CB . ASN A 1 311 ? 20.442 32.539 52.774 1.00 48.79 ? 373 ASN A CB 1 ATOM 2457 C CG . ASN A 1 311 ? 21.243 31.862 51.748 1.00 58.79 ? 373 ASN A CG 1 ATOM 2458 O OD1 . ASN A 1 311 ? 22.305 31.357 52.026 1.00 66.06 ? 373 ASN A OD1 1 ATOM 2459 N ND2 . ASN A 1 311 ? 20.748 31.867 50.538 1.00 58.03 ? 373 ASN A ND2 1 ATOM 2460 N N . LYS A 1 312 ? 21.833 33.487 55.340 1.00 41.50 ? 374 LYS A N 1 ATOM 2461 C CA . LYS A 1 312 ? 22.951 34.012 56.079 1.00 41.43 ? 374 LYS A CA 1 ATOM 2462 C C . LYS A 1 312 ? 23.103 33.309 57.419 1.00 36.46 ? 374 LYS A C 1 ATOM 2463 O O . LYS A 1 312 ? 24.173 33.018 57.850 1.00 34.80 ? 374 LYS A O 1 ATOM 2464 C CB . LYS A 1 312 ? 22.753 35.511 56.270 1.00 41.79 ? 374 LYS A CB 1 ATOM 2465 C CG . LYS A 1 312 ? 24.002 36.271 56.530 1.00 38.30 ? 374 LYS A CG 1 ATOM 2466 C CD . LYS A 1 312 ? 23.776 37.751 56.438 1.00 41.91 ? 374 LYS A CD 1 ATOM 2467 C CE . LYS A 1 312 ? 24.921 38.499 57.065 1.00 44.27 ? 374 LYS A CE 1 ATOM 2468 N NZ . LYS A 1 312 ? 24.983 39.913 56.671 1.00 44.25 ? 374 LYS A NZ 1 ATOM 2469 N N . GLU A 1 313 ? 21.996 33.043 58.069 1.00 36.91 ? 375 GLU A N 1 ATOM 2470 C CA . GLU A 1 313 ? 21.997 32.286 59.284 1.00 35.60 ? 375 GLU A CA 1 ATOM 2471 C C . GLU A 1 313 ? 22.609 30.898 59.109 1.00 34.61 ? 375 GLU A C 1 ATOM 2472 O O . GLU A 1 313 ? 23.275 30.412 59.961 1.00 32.60 ? 375 GLU A O 1 ATOM 2473 C CB . GLU A 1 313 ? 20.592 32.152 59.799 1.00 38.28 ? 375 GLU A CB 1 ATOM 2474 C CG . GLU A 1 313 ? 20.510 31.686 61.215 1.00 39.27 ? 375 GLU A CG 1 ATOM 2475 C CD . GLU A 1 313 ? 20.297 30.215 61.340 1.00 39.73 ? 375 GLU A CD 1 ATOM 2476 O OE1 . GLU A 1 313 ? 20.090 29.553 60.352 1.00 41.47 ? 375 GLU A OE1 1 ATOM 2477 O OE2 . GLU A 1 313 ? 20.314 29.727 62.447 1.00 44.67 ? 375 GLU A OE2 1 ATOM 2478 N N . ARG A 1 314 ? 22.342 30.277 57.988 1.00 36.55 ? 376 ARG A N 1 ATOM 2479 C CA . ARG A 1 314 ? 22.896 28.977 57.732 1.00 34.82 ? 376 ARG A CA 1 ATOM 2480 C C . ARG A 1 314 ? 24.388 28.995 57.576 1.00 35.04 ? 376 ARG A C 1 ATOM 2481 O O . ARG A 1 314 ? 25.037 28.145 58.069 1.00 34.67 ? 376 ARG A O 1 ATOM 2482 C CB . ARG A 1 314 ? 22.206 28.333 56.563 1.00 39.14 ? 376 ARG A CB 1 ATOM 2483 C CG . ARG A 1 314 ? 20.895 27.784 57.032 1.00 47.13 ? 376 ARG A CG 1 ATOM 2484 C CD . ARG A 1 314 ? 20.291 26.795 56.105 1.00 52.39 ? 376 ARG A CD 1 ATOM 2485 N NE . ARG A 1 314 ? 19.165 27.487 55.590 1.00 57.65 ? 376 ARG A NE 1 ATOM 2486 C CZ . ARG A 1 314 ? 19.178 28.118 54.447 1.00 53.44 ? 376 ARG A CZ 1 ATOM 2487 N NH1 . ARG A 1 314 ? 20.211 28.074 53.631 1.00 55.31 ? 376 ARG A NH1 1 ATOM 2488 N NH2 . ARG A 1 314 ? 18.097 28.778 54.082 1.00 55.40 ? 376 ARG A NH2 1 ATOM 2489 N N . VAL A 1 315 ? 24.922 29.997 56.917 1.00 35.02 ? 377 VAL A N 1 ATOM 2490 C CA . VAL A 1 315 ? 26.350 30.102 56.773 1.00 33.72 ? 377 VAL A CA 1 ATOM 2491 C C . VAL A 1 315 ? 27.024 30.199 58.118 1.00 33.88 ? 377 VAL A C 1 ATOM 2492 O O . VAL A 1 315 ? 27.923 29.475 58.403 1.00 29.81 ? 377 VAL A O 1 ATOM 2493 C CB . VAL A 1 315 ? 26.762 31.285 55.893 1.00 35.10 ? 377 VAL A CB 1 ATOM 2494 C CG1 . VAL A 1 315 ? 28.255 31.433 55.863 1.00 34.49 ? 377 VAL A CG1 1 ATOM 2495 C CG2 . VAL A 1 315 ? 26.225 31.102 54.512 1.00 38.55 ? 377 VAL A CG2 1 ATOM 2496 N N . VAL A 1 316 ? 26.595 31.127 58.944 1.00 30.89 ? 378 VAL A N 1 ATOM 2497 C CA . VAL A 1 316 ? 27.340 31.346 60.183 1.00 31.09 ? 378 VAL A CA 1 ATOM 2498 C C . VAL A 1 316 ? 27.187 30.172 61.153 1.00 29.27 ? 378 VAL A C 1 ATOM 2499 O O . VAL A 1 316 ? 28.114 29.831 61.871 1.00 29.97 ? 378 VAL A O 1 ATOM 2500 C CB . VAL A 1 316 ? 27.020 32.711 60.836 1.00 31.97 ? 378 VAL A CB 1 ATOM 2501 C CG1 . VAL A 1 316 ? 25.568 32.795 61.260 1.00 33.36 ? 378 VAL A CG1 1 ATOM 2502 C CG2 . VAL A 1 316 ? 27.950 32.986 62.000 1.00 31.39 ? 378 VAL A CG2 1 ATOM 2503 N N . THR A 1 317 ? 26.025 29.538 61.173 1.00 29.27 ? 379 THR A N 1 ATOM 2504 C CA . THR A 1 317 ? 25.844 28.387 62.050 1.00 29.84 ? 379 THR A CA 1 ATOM 2505 C C . THR A 1 317 ? 26.615 27.170 61.540 1.00 28.74 ? 379 THR A C 1 ATOM 2506 O O . THR A 1 317 ? 27.201 26.421 62.327 1.00 28.75 ? 379 THR A O 1 ATOM 2507 C CB . THR A 1 317 ? 24.332 28.057 62.328 1.00 31.80 ? 379 THR A CB 1 ATOM 2508 O OG1 . THR A 1 317 ? 23.609 27.902 61.107 1.00 32.20 ? 379 THR A OG1 1 ATOM 2509 C CG2 . THR A 1 317 ? 23.675 29.163 63.130 1.00 32.29 ? 379 THR A CG2 1 ATOM 2510 N N . VAL A 1 318 ? 26.623 26.935 60.233 1.00 28.03 ? 380 VAL A N 1 ATOM 2511 C CA . VAL A 1 318 ? 27.360 25.760 59.733 1.00 28.82 ? 380 VAL A CA 1 ATOM 2512 C C . VAL A 1 318 ? 28.870 25.910 60.026 1.00 28.63 ? 380 VAL A C 1 ATOM 2513 O O . VAL A 1 318 ? 29.540 24.975 60.423 1.00 26.05 ? 380 VAL A O 1 ATOM 2514 C CB . VAL A 1 318 ? 27.087 25.520 58.222 1.00 32.43 ? 380 VAL A CB 1 ATOM 2515 C CG1 . VAL A 1 318 ? 27.979 24.450 57.667 1.00 35.80 ? 380 VAL A CG1 1 ATOM 2516 C CG2 . VAL A 1 318 ? 25.663 25.020 58.032 1.00 34.82 ? 380 VAL A CG2 1 ATOM 2517 N N . ILE A 1 319 ? 29.394 27.109 59.840 1.00 28.84 ? 381 ILE A N 1 ATOM 2518 C CA . ILE A 1 319 ? 30.787 27.393 60.165 1.00 29.17 ? 381 ILE A CA 1 ATOM 2519 C C . ILE A 1 319 ? 31.073 27.193 61.663 1.00 27.96 ? 381 ILE A C 1 ATOM 2520 O O . ILE A 1 319 ? 32.045 26.521 62.025 1.00 25.28 ? 381 ILE A O 1 ATOM 2521 C CB . ILE A 1 319 ? 31.183 28.838 59.745 1.00 29.32 ? 381 ILE A CB 1 ATOM 2522 C CG1 . ILE A 1 319 ? 31.202 28.975 58.200 1.00 29.53 ? 381 ILE A CG1 1 ATOM 2523 C CG2 . ILE A 1 319 ? 32.512 29.256 60.358 1.00 28.15 ? 381 ILE A CG2 1 ATOM 2524 C CD1 . ILE A 1 319 ? 31.273 30.434 57.743 1.00 31.21 ? 381 ILE A CD1 1 ATOM 2525 N N . ALA A 1 320 ? 30.221 27.742 62.524 1.00 27.61 ? 382 ALA A N 1 ATOM 2526 C CA . ALA A 1 320 ? 30.410 27.602 63.977 1.00 27.42 ? 382 ALA A CA 1 ATOM 2527 C C . ALA A 1 320 ? 30.421 26.118 64.362 1.00 27.08 ? 382 ALA A C 1 ATOM 2528 O O . ALA A 1 320 ? 31.188 25.694 65.233 1.00 26.67 ? 382 ALA A O 1 ATOM 2529 C CB . ALA A 1 320 ? 29.278 28.302 64.723 1.00 28.42 ? 382 ALA A CB 1 ATOM 2530 N N . HIS A 1 321 ? 29.557 25.339 63.720 1.00 25.86 ? 383 HIS A N 1 ATOM 2531 C CA . HIS A 1 321 ? 29.452 23.923 64.018 1.00 26.69 ? 383 HIS A CA 1 ATOM 2532 C C . HIS A 1 321 ? 30.772 23.215 63.680 1.00 26.68 ? 383 HIS A C 1 ATOM 2533 O O . HIS A 1 321 ? 31.381 22.507 64.495 1.00 25.04 ? 383 HIS A O 1 ATOM 2534 C CB . HIS A 1 321 ? 28.314 23.324 63.230 1.00 25.27 ? 383 HIS A CB 1 ATOM 2535 C CG . HIS A 1 321 ? 28.189 21.847 63.412 1.00 25.85 ? 383 HIS A CG 1 ATOM 2536 N ND1 . HIS A 1 321 ? 27.151 21.276 64.100 1.00 27.51 ? 383 HIS A ND1 1 ATOM 2537 C CD2 . HIS A 1 321 ? 28.977 20.820 62.996 1.00 25.11 ? 383 HIS A CD2 1 ATOM 2538 C CE1 . HIS A 1 321 ? 27.301 19.963 64.108 1.00 26.14 ? 383 HIS A CE1 1 ATOM 2539 N NE2 . HIS A 1 321 ? 28.393 19.669 63.433 1.00 24.95 ? 383 HIS A NE2 1 ATOM 2540 N N . GLU A 1 322 ? 31.244 23.406 62.462 1.00 26.21 ? 384 GLU A N 1 ATOM 2541 C CA . GLU A 1 322 ? 32.481 22.756 62.057 1.00 25.63 ? 384 GLU A CA 1 ATOM 2542 C C . GLU A 1 322 ? 33.683 23.223 62.871 1.00 23.87 ? 384 GLU A C 1 ATOM 2543 O O . GLU A 1 322 ? 34.513 22.427 63.221 1.00 25.02 ? 384 GLU A O 1 ATOM 2544 C CB . GLU A 1 322 ? 32.764 22.945 60.563 1.00 25.67 ? 384 GLU A CB 1 ATOM 2545 C CG . GLU A 1 322 ? 31.684 22.419 59.633 1.00 25.11 ? 384 GLU A CG 1 ATOM 2546 C CD . GLU A 1 322 ? 31.262 20.990 59.925 1.00 28.53 ? 384 GLU A CD 1 ATOM 2547 O OE1 . GLU A 1 322 ? 30.072 20.706 59.999 1.00 31.07 ? 384 GLU A OE1 1 ATOM 2548 O OE2 . GLU A 1 322 ? 32.121 20.141 60.059 1.00 29.74 ? 384 GLU A OE2 1 ATOM 2549 N N . LEU A 1 323 ? 33.752 24.516 63.156 1.00 23.57 ? 385 LEU A N 1 ATOM 2550 C CA . LEU A 1 323 ? 34.888 25.050 63.919 1.00 25.67 ? 385 LEU A CA 1 ATOM 2551 C C . LEU A 1 323 ? 34.863 24.542 65.351 1.00 26.33 ? 385 LEU A C 1 ATOM 2552 O O . LEU A 1 323 ? 35.912 24.307 65.952 1.00 25.81 ? 385 LEU A O 1 ATOM 2553 C CB . LEU A 1 323 ? 34.936 26.583 63.861 1.00 26.35 ? 385 LEU A CB 1 ATOM 2554 C CG . LEU A 1 323 ? 35.210 27.083 62.436 1.00 28.62 ? 385 LEU A CG 1 ATOM 2555 C CD1 . LEU A 1 323 ? 35.333 28.606 62.384 1.00 27.84 ? 385 LEU A CD1 1 ATOM 2556 C CD2 . LEU A 1 323 ? 36.405 26.376 61.759 1.00 29.09 ? 385 LEU A CD2 1 ATOM 2557 N N . ALA A 1 324 ? 33.651 24.320 65.879 1.00 26.47 ? 386 ALA A N 1 ATOM 2558 C CA . ALA A 1 324 ? 33.522 23.778 67.228 1.00 26.24 ? 386 ALA A CA 1 ATOM 2559 C C . ALA A 1 324 ? 34.336 22.480 67.347 1.00 25.43 ? 386 ALA A C 1 ATOM 2560 O O . ALA A 1 324 ? 34.962 22.225 68.385 1.00 22.85 ? 386 ALA A O 1 ATOM 2561 C CB . ALA A 1 324 ? 32.048 23.502 67.579 1.00 28.03 ? 386 ALA A CB 1 ATOM 2562 N N . HIS A 1 325 ? 34.292 21.654 66.298 1.00 24.56 ? 387 HIS A N 1 ATOM 2563 C CA . HIS A 1 325 ? 34.927 20.346 66.348 1.00 24.15 ? 387 HIS A CA 1 ATOM 2564 C C . HIS A 1 325 ? 36.459 20.452 66.386 1.00 23.62 ? 387 HIS A C 1 ATOM 2565 O O . HIS A 1 325 ? 37.131 19.471 66.665 1.00 24.10 ? 387 HIS A O 1 ATOM 2566 C CB . HIS A 1 325 ? 34.590 19.530 65.086 1.00 24.27 ? 387 HIS A CB 1 ATOM 2567 C CG . HIS A 1 325 ? 33.210 18.931 65.058 1.00 25.13 ? 387 HIS A CG 1 ATOM 2568 N ND1 . HIS A 1 325 ? 32.767 18.025 66.006 1.00 24.54 ? 387 HIS A ND1 1 ATOM 2569 C CD2 . HIS A 1 325 ? 32.225 19.018 64.128 1.00 23.87 ? 387 HIS A CD2 1 ATOM 2570 C CE1 . HIS A 1 325 ? 31.550 17.608 65.666 1.00 25.34 ? 387 HIS A CE1 1 ATOM 2571 N NE2 . HIS A 1 325 ? 31.213 18.169 64.521 1.00 23.23 ? 387 HIS A NE2 1 ATOM 2572 N N . GLN A 1 326 ? 37.015 21.600 66.028 1.00 23.76 ? 388 GLN A N 1 ATOM 2573 C CA . GLN A 1 326 ? 38.476 21.703 65.918 1.00 24.94 ? 388 GLN A CA 1 ATOM 2574 C C . GLN A 1 326 ? 39.101 21.515 67.286 1.00 25.70 ? 388 GLN A C 1 ATOM 2575 O O . GLN A 1 326 ? 40.303 21.254 67.388 1.00 25.57 ? 388 GLN A O 1 ATOM 2576 C CB . GLN A 1 326 ? 38.934 23.019 65.268 1.00 24.74 ? 388 GLN A CB 1 ATOM 2577 C CG . GLN A 1 326 ? 38.247 23.339 63.944 1.00 25.24 ? 388 GLN A CG 1 ATOM 2578 C CD . GLN A 1 326 ? 38.410 22.238 62.910 1.00 26.82 ? 388 GLN A CD 1 ATOM 2579 O OE1 . GLN A 1 326 ? 39.521 21.960 62.451 1.00 26.79 ? 388 GLN A OE1 1 ATOM 2580 N NE2 . GLN A 1 326 ? 37.313 21.625 62.525 1.00 23.59 ? 388 GLN A NE2 1 ATOM 2581 N N . TRP A 1 327 ? 38.282 21.644 68.337 1.00 26.52 ? 389 TRP A N 1 ATOM 2582 C CA . TRP A 1 327 ? 38.662 21.198 69.674 1.00 25.54 ? 389 TRP A CA 1 ATOM 2583 C C . TRP A 1 327 ? 37.866 19.952 70.083 1.00 25.82 ? 389 TRP A C 1 ATOM 2584 O O . TRP A 1 327 ? 38.454 18.894 70.316 1.00 23.71 ? 389 TRP A O 1 ATOM 2585 C CB . TRP A 1 327 ? 38.365 22.277 70.687 1.00 25.51 ? 389 TRP A CB 1 ATOM 2586 C CG . TRP A 1 327 ? 39.097 23.586 70.567 1.00 27.23 ? 389 TRP A CG 1 ATOM 2587 C CD1 . TRP A 1 327 ? 40.046 24.024 71.424 1.00 26.13 ? 389 TRP A CD1 1 ATOM 2588 C CD2 . TRP A 1 327 ? 38.872 24.668 69.638 1.00 25.49 ? 389 TRP A CD2 1 ATOM 2589 N NE1 . TRP A 1 327 ? 40.449 25.276 71.094 1.00 28.12 ? 389 TRP A NE1 1 ATOM 2590 C CE2 . TRP A 1 327 ? 39.737 25.710 70.009 1.00 27.97 ? 389 TRP A CE2 1 ATOM 2591 C CE3 . TRP A 1 327 ? 38.028 24.868 68.551 1.00 27.07 ? 389 TRP A CE3 1 ATOM 2592 C CZ2 . TRP A 1 327 ? 39.802 26.931 69.317 1.00 27.41 ? 389 TRP A CZ2 1 ATOM 2593 C CZ3 . TRP A 1 327 ? 38.104 26.077 67.856 1.00 28.12 ? 389 TRP A CZ3 1 ATOM 2594 C CH2 . TRP A 1 327 ? 38.985 27.091 68.246 1.00 26.73 ? 389 TRP A CH2 1 ATOM 2595 N N . PHE A 1 328 ? 36.533 20.067 70.145 1.00 26.03 ? 390 PHE A N 1 ATOM 2596 C CA . PHE A 1 328 ? 35.685 18.967 70.633 1.00 25.39 ? 390 PHE A CA 1 ATOM 2597 C C . PHE A 1 328 ? 35.368 18.019 69.492 1.00 24.17 ? 390 PHE A C 1 ATOM 2598 O O . PHE A 1 328 ? 34.535 18.320 68.640 1.00 25.07 ? 390 PHE A O 1 ATOM 2599 C CB . PHE A 1 328 ? 34.377 19.502 71.302 1.00 25.79 ? 390 PHE A CB 1 ATOM 2600 C CG . PHE A 1 328 ? 33.704 18.479 72.190 1.00 25.91 ? 390 PHE A CG 1 ATOM 2601 C CD1 . PHE A 1 328 ? 32.994 17.407 71.646 1.00 25.72 ? 390 PHE A CD1 1 ATOM 2602 C CD2 . PHE A 1 328 ? 33.823 18.571 73.597 1.00 25.11 ? 390 PHE A CD2 1 ATOM 2603 C CE1 . PHE A 1 328 ? 32.401 16.469 72.477 1.00 27.35 ? 390 PHE A CE1 1 ATOM 2604 C CE2 . PHE A 1 328 ? 33.248 17.620 74.437 1.00 27.36 ? 390 PHE A CE2 1 ATOM 2605 C CZ . PHE A 1 328 ? 32.553 16.546 73.868 1.00 27.46 ? 390 PHE A CZ 1 ATOM 2606 N N . GLY A 1 329 ? 36.039 16.869 69.491 1.00 23.51 ? 391 GLY A N 1 ATOM 2607 C CA . GLY A 1 329 ? 35.976 15.878 68.395 1.00 24.03 ? 391 GLY A CA 1 ATOM 2608 C C . GLY A 1 329 ? 37.363 15.598 67.773 1.00 23.58 ? 391 GLY A C 1 ATOM 2609 O O . GLY A 1 329 ? 37.720 14.455 67.511 1.00 23.71 ? 391 GLY A O 1 ATOM 2610 N N . ASN A 1 330 ? 38.135 16.652 67.517 1.00 23.27 ? 392 ASN A N 1 ATOM 2611 C CA . ASN A 1 330 ? 39.403 16.550 66.774 1.00 24.37 ? 392 ASN A CA 1 ATOM 2612 C C . ASN A 1 330 ? 40.617 16.587 67.711 1.00 24.52 ? 392 ASN A C 1 ATOM 2613 O O . ASN A 1 330 ? 41.509 15.751 67.582 1.00 22.45 ? 392 ASN A O 1 ATOM 2614 C CB . ASN A 1 330 ? 39.580 17.673 65.731 1.00 23.27 ? 392 ASN A CB 1 ATOM 2615 C CG . ASN A 1 330 ? 38.528 17.653 64.633 1.00 22.82 ? 392 ASN A CG 1 ATOM 2616 O OD1 . ASN A 1 330 ? 37.537 16.946 64.727 1.00 23.74 ? 392 ASN A OD1 1 ATOM 2617 N ND2 . ASN A 1 330 ? 38.712 18.510 63.618 1.00 23.62 ? 392 ASN A ND2 1 ATOM 2618 N N . LEU A 1 331 ? 40.640 17.538 68.656 1.00 23.60 ? 393 LEU A N 1 ATOM 2619 C CA . LEU A 1 331 ? 41.674 17.533 69.699 1.00 23.75 ? 393 LEU A CA 1 ATOM 2620 C C . LEU A 1 331 ? 41.443 16.406 70.725 1.00 26.32 ? 393 LEU A C 1 ATOM 2621 O O . LEU A 1 331 ? 42.391 15.667 71.083 1.00 24.40 ? 393 LEU A O 1 ATOM 2622 C CB . LEU A 1 331 ? 41.711 18.887 70.411 1.00 23.51 ? 393 LEU A CB 1 ATOM 2623 C CG . LEU A 1 331 ? 42.781 19.093 71.499 1.00 26.52 ? 393 LEU A CG 1 ATOM 2624 C CD1 . LEU A 1 331 ? 44.213 18.981 70.958 1.00 25.40 ? 393 LEU A CD1 1 ATOM 2625 C CD2 . LEU A 1 331 ? 42.605 20.450 72.171 1.00 26.19 ? 393 LEU A CD2 1 ATOM 2626 N N . VAL A 1 332 ? 40.201 16.297 71.226 1.00 25.57 ? 394 VAL A N 1 ATOM 2627 C CA . VAL A 1 332 ? 39.804 15.166 72.034 1.00 24.53 ? 394 VAL A CA 1 ATOM 2628 C C . VAL A 1 332 ? 38.738 14.421 71.237 1.00 23.64 ? 394 VAL A C 1 ATOM 2629 O O . VAL A 1 332 ? 37.722 14.968 70.891 1.00 24.30 ? 394 VAL A O 1 ATOM 2630 C CB . VAL A 1 332 ? 39.264 15.579 73.426 1.00 25.45 ? 394 VAL A CB 1 ATOM 2631 C CG1 . VAL A 1 332 ? 38.803 14.356 74.204 1.00 24.66 ? 394 VAL A CG1 1 ATOM 2632 C CG2 . VAL A 1 332 ? 40.329 16.331 74.169 1.00 23.45 ? 394 VAL A CG2 1 ATOM 2633 N N . THR A 1 333 ? 39.019 13.150 70.956 1.00 23.52 ? 395 THR A N 1 ATOM 2634 C CA . THR A 1 333 ? 38.232 12.336 70.042 1.00 24.07 ? 395 THR A CA 1 ATOM 2635 C C . THR A 1 333 ? 37.546 11.187 70.779 1.00 21.99 ? 395 THR A C 1 ATOM 2636 O O . THR A 1 333 ? 38.169 10.490 71.587 1.00 24.49 ? 395 THR A O 1 ATOM 2637 C CB . THR A 1 333 ? 39.175 11.743 68.995 1.00 24.61 ? 395 THR A CB 1 ATOM 2638 O OG1 . THR A 1 333 ? 39.930 12.814 68.380 1.00 25.34 ? 395 THR A OG1 1 ATOM 2639 C CG2 . THR A 1 333 ? 38.399 10.947 67.950 1.00 24.45 ? 395 THR A CG2 1 ATOM 2640 N N . LEU A 1 334 ? 36.264 10.989 70.516 1.00 23.80 ? 396 LEU A N 1 ATOM 2641 C CA . LEU A 1 334 ? 35.566 9.904 71.151 1.00 24.85 ? 396 LEU A CA 1 ATOM 2642 C C . LEU A 1 334 ? 36.185 8.602 70.608 1.00 25.49 ? 396 LEU A C 1 ATOM 2643 O O . LEU A 1 334 ? 36.413 8.462 69.420 1.00 23.86 ? 396 LEU A O 1 ATOM 2644 C CB . LEU A 1 334 ? 34.080 9.968 70.848 1.00 24.99 ? 396 LEU A CB 1 ATOM 2645 C CG . LEU A 1 334 ? 33.233 10.875 71.742 1.00 27.66 ? 396 LEU A CG 1 ATOM 2646 C CD1 . LEU A 1 334 ? 33.269 10.382 73.190 1.00 27.49 ? 396 LEU A CD1 1 ATOM 2647 C CD2 . LEU A 1 334 ? 33.679 12.331 71.656 1.00 27.50 ? 396 LEU A CD2 1 ATOM 2648 N N . ALA A 1 335 ? 36.404 7.647 71.500 1.00 24.73 ? 397 ALA A N 1 ATOM 2649 C CA . ALA A 1 335 ? 37.109 6.438 71.169 1.00 24.44 ? 397 ALA A CA 1 ATOM 2650 C C . ALA A 1 335 ? 36.441 5.579 70.143 1.00 25.88 ? 397 ALA A C 1 ATOM 2651 O O . ALA A 1 335 ? 37.134 4.793 69.477 1.00 25.96 ? 397 ALA A O 1 ATOM 2652 C CB . ALA A 1 335 ? 37.357 5.599 72.420 1.00 25.10 ? 397 ALA A CB 1 ATOM 2653 N N . TRP A 1 336 ? 35.117 5.640 70.053 1.00 24.80 ? 398 TRP A N 1 ATOM 2654 C CA . TRP A 1 336 ? 34.404 4.771 69.120 1.00 25.07 ? 398 TRP A CA 1 ATOM 2655 C C . TRP A 1 336 ? 33.101 5.400 68.692 1.00 25.42 ? 398 TRP A C 1 ATOM 2656 O O . TRP A 1 336 ? 32.553 6.256 69.405 1.00 25.18 ? 398 TRP A O 1 ATOM 2657 C CB . TRP A 1 336 ? 34.238 3.338 69.689 1.00 24.82 ? 398 TRP A CB 1 ATOM 2658 C CG . TRP A 1 336 ? 33.768 2.344 68.648 1.00 25.49 ? 398 TRP A CG 1 ATOM 2659 C CD1 . TRP A 1 336 ? 32.597 1.613 68.677 1.00 25.38 ? 398 TRP A CD1 1 ATOM 2660 C CD2 . TRP A 1 336 ? 34.427 1.978 67.405 1.00 24.66 ? 398 TRP A CD2 1 ATOM 2661 N NE1 . TRP A 1 336 ? 32.487 0.840 67.532 1.00 26.94 ? 398 TRP A NE1 1 ATOM 2662 C CE2 . TRP A 1 336 ? 33.583 1.074 66.727 1.00 26.19 ? 398 TRP A CE2 1 ATOM 2663 C CE3 . TRP A 1 336 ? 35.618 2.375 66.788 1.00 23.63 ? 398 TRP A CE3 1 ATOM 2664 C CZ2 . TRP A 1 336 ? 33.913 0.507 65.477 1.00 25.93 ? 398 TRP A CZ2 1 ATOM 2665 C CZ3 . TRP A 1 336 ? 35.944 1.830 65.530 1.00 27.21 ? 398 TRP A CZ3 1 ATOM 2666 C CH2 . TRP A 1 336 ? 35.092 0.897 64.888 1.00 26.39 ? 398 TRP A CH2 1 ATOM 2667 N N . TRP A 1 337 ? 32.646 4.976 67.514 1.00 24.76 ? 399 TRP A N 1 ATOM 2668 C CA . TRP A 1 337 ? 31.470 5.512 66.856 1.00 26.05 ? 399 TRP A CA 1 ATOM 2669 C C . TRP A 1 337 ? 30.178 5.423 67.667 1.00 26.67 ? 399 TRP A C 1 ATOM 2670 O O . TRP A 1 337 ? 29.219 6.158 67.366 1.00 25.29 ? 399 TRP A O 1 ATOM 2671 C CB . TRP A 1 337 ? 31.265 4.839 65.476 1.00 24.12 ? 399 TRP A CB 1 ATOM 2672 C CG . TRP A 1 337 ? 32.482 5.003 64.654 1.00 24.27 ? 399 TRP A CG 1 ATOM 2673 C CD1 . TRP A 1 337 ? 33.443 4.061 64.400 1.00 25.42 ? 399 TRP A CD1 1 ATOM 2674 C CD2 . TRP A 1 337 ? 32.939 6.220 64.044 1.00 24.25 ? 399 TRP A CD2 1 ATOM 2675 N NE1 . TRP A 1 337 ? 34.474 4.622 63.649 1.00 25.11 ? 399 TRP A NE1 1 ATOM 2676 C CE2 . TRP A 1 337 ? 34.176 5.944 63.422 1.00 24.43 ? 399 TRP A CE2 1 ATOM 2677 C CE3 . TRP A 1 337 ? 32.397 7.504 63.932 1.00 23.45 ? 399 TRP A CE3 1 ATOM 2678 C CZ2 . TRP A 1 337 ? 34.880 6.910 62.723 1.00 23.08 ? 399 TRP A CZ2 1 ATOM 2679 C CZ3 . TRP A 1 337 ? 33.102 8.478 63.257 1.00 23.43 ? 399 TRP A CZ3 1 ATOM 2680 C CH2 . TRP A 1 337 ? 34.329 8.181 62.656 1.00 25.99 ? 399 TRP A CH2 1 ATOM 2681 N N . ASN A 1 338 ? 30.105 4.482 68.623 1.00 26.58 ? 400 ASN A N 1 ATOM 2682 C CA . ASN A 1 338 ? 28.891 4.417 69.452 1.00 26.35 ? 400 ASN A CA 1 ATOM 2683 C C . ASN A 1 338 ? 28.645 5.706 70.265 1.00 27.33 ? 400 ASN A C 1 ATOM 2684 O O . ASN A 1 338 ? 27.521 5.948 70.691 1.00 30.00 ? 400 ASN A O 1 ATOM 2685 C CB . ASN A 1 338 ? 28.917 3.194 70.372 1.00 27.34 ? 400 ASN A CB 1 ATOM 2686 C CG . ASN A 1 338 ? 30.006 3.292 71.430 1.00 28.27 ? 400 ASN A CG 1 ATOM 2687 O OD1 . ASN A 1 338 ? 31.178 3.541 71.107 1.00 26.96 ? 400 ASN A OD1 1 ATOM 2688 N ND2 . ASN A 1 338 ? 29.634 3.111 72.698 1.00 28.12 ? 400 ASN A ND2 1 ATOM 2689 N N . ASP A 1 339 ? 29.703 6.484 70.496 1.00 24.53 ? 401 ASP A N 1 ATOM 2690 C CA . ASP A 1 339 ? 29.621 7.782 71.165 1.00 26.07 ? 401 ASP A CA 1 ATOM 2691 C C . ASP A 1 339 ? 29.598 8.994 70.217 1.00 26.22 ? 401 ASP A C 1 ATOM 2692 O O . ASP A 1 339 ? 29.848 10.145 70.637 1.00 27.58 ? 401 ASP A O 1 ATOM 2693 C CB . ASP A 1 339 ? 30.789 7.912 72.152 1.00 27.52 ? 401 ASP A CB 1 ATOM 2694 C CG . ASP A 1 339 ? 30.521 7.230 73.469 1.00 30.29 ? 401 ASP A CG 1 ATOM 2695 O OD1 . ASP A 1 339 ? 29.367 6.827 73.689 1.00 33.11 ? 401 ASP A OD1 1 ATOM 2696 O OD2 . ASP A 1 339 ? 31.452 7.150 74.299 1.00 27.45 ? 401 ASP A OD2 1 ATOM 2697 N N . LEU A 1 340 ? 29.291 8.752 68.945 1.00 24.32 ? 402 LEU A N 1 ATOM 2698 C CA . LEU A 1 340 ? 29.170 9.817 67.954 1.00 23.65 ? 402 LEU A CA 1 ATOM 2699 C C . LEU A 1 340 ? 28.247 10.961 68.439 1.00 23.99 ? 402 LEU A C 1 ATOM 2700 O O . LEU A 1 340 ? 28.553 12.148 68.225 1.00 25.33 ? 402 LEU A O 1 ATOM 2701 C CB . LEU A 1 340 ? 28.672 9.227 66.613 1.00 23.93 ? 402 LEU A CB 1 ATOM 2702 C CG . LEU A 1 340 ? 28.576 10.457 65.678 1.00 28.18 ? 402 LEU A CG 1 ATOM 2703 C CD1 . LEU A 1 340 ? 29.919 10.956 65.089 1.00 26.61 ? 402 LEU A CD1 1 ATOM 2704 C CD2 . LEU A 1 340 ? 27.478 10.431 64.696 1.00 32.57 ? 402 LEU A CD2 1 ATOM 2705 N N . TRP A 1 341 ? 27.111 10.601 69.072 1.00 27.55 ? 403 TRP A N 1 ATOM 2706 C CA . TRP A 1 341 ? 26.137 11.549 69.606 1.00 26.66 ? 403 TRP A CA 1 ATOM 2707 C C . TRP A 1 341 ? 26.787 12.613 70.485 1.00 26.47 ? 403 TRP A C 1 ATOM 2708 O O . TRP A 1 341 ? 26.356 13.759 70.495 1.00 27.39 ? 403 TRP A O 1 ATOM 2709 C CB . TRP A 1 341 ? 25.023 10.835 70.403 1.00 26.67 ? 403 TRP A CB 1 ATOM 2710 C CG . TRP A 1 341 ? 25.472 10.243 71.717 1.00 28.11 ? 403 TRP A CG 1 ATOM 2711 C CD1 . TRP A 1 341 ? 25.979 8.981 71.926 1.00 30.85 ? 403 TRP A CD1 1 ATOM 2712 C CD2 . TRP A 1 341 ? 25.493 10.889 72.989 1.00 27.38 ? 403 TRP A CD2 1 ATOM 2713 N NE1 . TRP A 1 341 ? 26.318 8.811 73.249 1.00 28.33 ? 403 TRP A NE1 1 ATOM 2714 C CE2 . TRP A 1 341 ? 26.025 9.961 73.927 1.00 28.93 ? 403 TRP A CE2 1 ATOM 2715 C CE3 . TRP A 1 341 ? 25.150 12.150 73.427 1.00 29.84 ? 403 TRP A CE3 1 ATOM 2716 C CZ2 . TRP A 1 341 ? 26.198 10.267 75.285 1.00 30.02 ? 403 TRP A CZ2 1 ATOM 2717 C CZ3 . TRP A 1 341 ? 25.319 12.454 74.815 1.00 32.01 ? 403 TRP A CZ3 1 ATOM 2718 C CH2 . TRP A 1 341 ? 25.828 11.494 75.715 1.00 31.78 ? 403 TRP A CH2 1 ATOM 2719 N N . LEU A 1 342 ? 27.811 12.247 71.242 1.00 25.62 ? 404 LEU A N 1 ATOM 2720 C CA . LEU A 1 342 ? 28.440 13.232 72.106 1.00 27.06 ? 404 LEU A CA 1 ATOM 2721 C C . LEU A 1 342 ? 29.196 14.270 71.270 1.00 26.46 ? 404 LEU A C 1 ATOM 2722 O O . LEU A 1 342 ? 29.069 15.494 71.491 1.00 27.61 ? 404 LEU A O 1 ATOM 2723 C CB . LEU A 1 342 ? 29.360 12.590 73.144 1.00 26.72 ? 404 LEU A CB 1 ATOM 2724 C CG . LEU A 1 342 ? 29.928 13.618 74.105 1.00 28.79 ? 404 LEU A CG 1 ATOM 2725 C CD1 . LEU A 1 342 ? 28.853 14.403 74.866 1.00 31.92 ? 404 LEU A CD1 1 ATOM 2726 C CD2 . LEU A 1 342 ? 30.892 12.990 75.098 1.00 28.89 ? 404 LEU A CD2 1 ATOM 2727 N N . ASN A 1 343 ? 29.941 13.790 70.275 1.00 25.64 ? 405 ASN A N 1 ATOM 2728 C CA . ASN A 1 343 ? 30.674 14.697 69.398 1.00 26.22 ? 405 ASN A CA 1 ATOM 2729 C C . ASN A 1 343 ? 29.730 15.570 68.561 1.00 25.34 ? 405 ASN A C 1 ATOM 2730 O O . ASN A 1 343 ? 29.820 16.816 68.610 1.00 26.26 ? 405 ASN A O 1 ATOM 2731 C CB . ASN A 1 343 ? 31.660 13.914 68.514 1.00 24.88 ? 405 ASN A CB 1 ATOM 2732 C CG . ASN A 1 343 ? 32.542 14.814 67.725 1.00 25.14 ? 405 ASN A CG 1 ATOM 2733 O OD1 . ASN A 1 343 ? 32.812 15.967 68.123 1.00 24.47 ? 405 ASN A OD1 1 ATOM 2734 N ND2 . ASN A 1 343 ? 33.037 14.303 66.607 1.00 23.73 ? 405 ASN A ND2 1 ATOM 2735 N N . GLU A 1 344 ? 28.803 14.952 67.845 1.00 24.89 ? 406 GLU A N 1 ATOM 2736 C CA . GLU A 1 344 ? 27.872 15.700 66.993 1.00 24.96 ? 406 GLU A CA 1 ATOM 2737 C C . GLU A 1 344 ? 26.819 16.494 67.784 1.00 25.48 ? 406 GLU A C 1 ATOM 2738 O O . GLU A 1 344 ? 26.449 17.600 67.384 1.00 25.58 ? 406 GLU A O 1 ATOM 2739 C CB . GLU A 1 344 ? 27.241 14.814 65.919 1.00 24.72 ? 406 GLU A CB 1 ATOM 2740 C CG . GLU A 1 344 ? 28.265 14.294 64.936 1.00 24.21 ? 406 GLU A CG 1 ATOM 2741 C CD . GLU A 1 344 ? 28.916 15.416 64.118 1.00 26.16 ? 406 GLU A CD 1 ATOM 2742 O OE1 . GLU A 1 344 ? 29.920 15.194 63.352 1.00 28.09 ? 406 GLU A OE1 1 ATOM 2743 O OE2 . GLU A 1 344 ? 28.418 16.532 64.258 1.00 28.09 ? 406 GLU A OE2 1 ATOM 2744 N N . GLY A 1 345 ? 26.383 15.939 68.910 1.00 24.82 ? 407 GLY A N 1 ATOM 2745 C CA . GLY A 1 345 ? 25.396 16.613 69.761 1.00 26.24 ? 407 GLY A CA 1 ATOM 2746 C C . GLY A 1 345 ? 26.064 17.851 70.362 1.00 25.53 ? 407 GLY A C 1 ATOM 2747 O O . GLY A 1 345 ? 25.474 18.936 70.415 1.00 26.80 ? 407 GLY A O 1 ATOM 2748 N N . PHE A 1 346 ? 27.315 17.716 70.795 1.00 24.67 ? 408 PHE A N 1 ATOM 2749 C CA . PHE A 1 346 ? 27.997 18.876 71.388 1.00 25.87 ? 408 PHE A CA 1 ATOM 2750 C C . PHE A 1 346 ? 28.156 20.025 70.362 1.00 26.70 ? 408 PHE A C 1 ATOM 2751 O O . PHE A 1 346 ? 27.830 21.219 70.623 1.00 26.28 ? 408 PHE A O 1 ATOM 2752 C CB . PHE A 1 346 ? 29.329 18.448 71.972 1.00 23.88 ? 408 PHE A CB 1 ATOM 2753 C CG . PHE A 1 346 ? 30.035 19.561 72.704 1.00 29.41 ? 408 PHE A CG 1 ATOM 2754 C CD1 . PHE A 1 346 ? 30.818 20.491 72.003 1.00 28.64 ? 408 PHE A CD1 1 ATOM 2755 C CD2 . PHE A 1 346 ? 29.859 19.729 74.074 1.00 28.11 ? 408 PHE A CD2 1 ATOM 2756 C CE1 . PHE A 1 346 ? 31.431 21.558 72.661 1.00 29.42 ? 408 PHE A CE1 1 ATOM 2757 C CE2 . PHE A 1 346 ? 30.478 20.798 74.748 1.00 29.85 ? 408 PHE A CE2 1 ATOM 2758 C CZ . PHE A 1 346 ? 31.249 21.731 74.036 1.00 29.70 ? 408 PHE A CZ 1 ATOM 2759 N N . ALA A 1 347 ? 28.670 19.670 69.180 1.00 27.86 ? 409 ALA A N 1 ATOM 2760 C CA . ALA A 1 347 ? 28.804 20.661 68.083 1.00 27.86 ? 409 ALA A CA 1 ATOM 2761 C C . ALA A 1 347 ? 27.446 21.267 67.694 1.00 26.19 ? 409 ALA A C 1 ATOM 2762 O O . ALA A 1 347 ? 27.358 22.445 67.359 1.00 26.56 ? 409 ALA A O 1 ATOM 2763 C CB . ALA A 1 347 ? 29.486 20.045 66.851 1.00 25.98 ? 409 ALA A CB 1 ATOM 2764 N N . SER A 1 348 ? 26.405 20.442 67.705 1.00 25.69 ? 410 SER A N 1 ATOM 2765 C CA . SER A 1 348 ? 25.045 20.899 67.351 1.00 27.09 ? 410 SER A CA 1 ATOM 2766 C C . SER A 1 348 ? 24.473 21.864 68.388 1.00 28.12 ? 410 SER A C 1 ATOM 2767 O O . SER A 1 348 ? 23.638 22.687 68.061 1.00 28.30 ? 410 SER A O 1 ATOM 2768 C CB . SER A 1 348 ? 24.119 19.706 67.127 1.00 26.28 ? 410 SER A CB 1 ATOM 2769 O OG . SER A 1 348 ? 24.602 18.902 66.051 1.00 26.93 ? 410 SER A OG 1 ATOM 2770 N N . TYR A 1 349 ? 24.934 21.775 69.633 1.00 27.34 ? 411 TYR A N 1 ATOM 2771 C CA . TYR A 1 349 ? 24.576 22.771 70.623 1.00 29.40 ? 411 TYR A CA 1 ATOM 2772 C C . TYR A 1 349 ? 25.443 24.018 70.518 1.00 29.99 ? 411 TYR A C 1 ATOM 2773 O O . TYR A 1 349 ? 24.913 25.130 70.393 1.00 30.53 ? 411 TYR A O 1 ATOM 2774 C CB . TYR A 1 349 ? 24.674 22.155 72.030 1.00 29.94 ? 411 TYR A CB 1 ATOM 2775 C CG . TYR A 1 349 ? 24.657 23.153 73.156 1.00 31.30 ? 411 TYR A CG 1 ATOM 2776 C CD1 . TYR A 1 349 ? 23.706 24.182 73.211 1.00 34.81 ? 411 TYR A CD1 1 ATOM 2777 C CD2 . TYR A 1 349 ? 25.576 23.057 74.177 1.00 31.41 ? 411 TYR A CD2 1 ATOM 2778 C CE1 . TYR A 1 349 ? 23.696 25.074 74.250 1.00 35.78 ? 411 TYR A CE1 1 ATOM 2779 C CE2 . TYR A 1 349 ? 25.595 23.981 75.219 1.00 33.08 ? 411 TYR A CE2 1 ATOM 2780 C CZ . TYR A 1 349 ? 24.631 24.947 75.269 1.00 35.83 ? 411 TYR A CZ 1 ATOM 2781 O OH . TYR A 1 349 ? 24.624 25.854 76.306 1.00 38.72 ? 411 TYR A OH 1 ATOM 2782 N N . VAL A 1 350 ? 26.777 23.846 70.563 1.00 27.68 ? 412 VAL A N 1 ATOM 2783 C CA . VAL A 1 350 ? 27.650 25.018 70.617 1.00 27.21 ? 412 VAL A CA 1 ATOM 2784 C C . VAL A 1 350 ? 27.766 25.801 69.321 1.00 27.56 ? 412 VAL A C 1 ATOM 2785 O O . VAL A 1 350 ? 28.252 26.948 69.334 1.00 28.51 ? 412 VAL A O 1 ATOM 2786 C CB . VAL A 1 350 ? 29.063 24.738 71.133 1.00 29.16 ? 412 VAL A CB 1 ATOM 2787 C CG1 . VAL A 1 350 ? 29.005 24.152 72.516 1.00 31.98 ? 412 VAL A CG1 1 ATOM 2788 C CG2 . VAL A 1 350 ? 29.865 23.858 70.160 1.00 24.90 ? 412 VAL A CG2 1 ATOM 2789 N N . GLU A 1 351 ? 27.283 25.241 68.213 1.00 29.05 ? 413 GLU A N 1 ATOM 2790 C CA . GLU A 1 351 ? 27.192 26.049 66.990 1.00 28.65 ? 413 GLU A CA 1 ATOM 2791 C C . GLU A 1 351 ? 26.401 27.322 67.244 1.00 29.13 ? 413 GLU A C 1 ATOM 2792 O O . GLU A 1 351 ? 26.758 28.362 66.705 1.00 28.14 ? 413 GLU A O 1 ATOM 2793 C CB . GLU A 1 351 ? 26.590 25.289 65.793 1.00 28.71 ? 413 GLU A CB 1 ATOM 2794 C CG . GLU A 1 351 ? 25.111 24.954 65.870 1.00 29.45 ? 413 GLU A CG 1 ATOM 2795 C CD . GLU A 1 351 ? 24.666 24.138 64.672 1.00 30.01 ? 413 GLU A CD 1 ATOM 2796 O OE1 . GLU A 1 351 ? 23.900 24.655 63.845 1.00 32.48 ? 413 GLU A OE1 1 ATOM 2797 O OE2 . GLU A 1 351 ? 25.099 22.989 64.545 1.00 28.35 ? 413 GLU A OE2 1 ATOM 2798 N N . TYR A 1 352 ? 25.335 27.242 68.048 1.00 30.51 ? 414 TYR A N 1 ATOM 2799 C CA . TYR A 1 352 ? 24.524 28.440 68.330 1.00 31.95 ? 414 TYR A CA 1 ATOM 2800 C C . TYR A 1 352 ? 25.327 29.483 69.131 1.00 30.80 ? 414 TYR A C 1 ATOM 2801 O O . TYR A 1 352 ? 25.166 30.668 68.929 1.00 30.63 ? 414 TYR A O 1 ATOM 2802 C CB . TYR A 1 352 ? 23.215 28.079 69.057 1.00 32.41 ? 414 TYR A CB 1 ATOM 2803 C CG . TYR A 1 352 ? 22.291 27.223 68.226 1.00 32.20 ? 414 TYR A CG 1 ATOM 2804 C CD1 . TYR A 1 352 ? 21.389 27.801 67.338 1.00 32.34 ? 414 TYR A CD1 1 ATOM 2805 C CD2 . TYR A 1 352 ? 22.309 25.835 68.334 1.00 30.78 ? 414 TYR A CD2 1 ATOM 2806 C CE1 . TYR A 1 352 ? 20.520 27.025 66.591 1.00 34.07 ? 414 TYR A CE1 1 ATOM 2807 C CE2 . TYR A 1 352 ? 21.456 25.052 67.576 1.00 30.57 ? 414 TYR A CE2 1 ATOM 2808 C CZ . TYR A 1 352 ? 20.573 25.654 66.707 1.00 33.43 ? 414 TYR A CZ 1 ATOM 2809 O OH . TYR A 1 352 ? 19.727 24.871 65.931 1.00 33.87 ? 414 TYR A OH 1 ATOM 2810 N N . LEU A 1 353 ? 26.170 29.016 70.050 1.00 31.73 ? 415 LEU A N 1 ATOM 2811 C CA . LEU A 1 353 ? 26.994 29.915 70.871 1.00 32.03 ? 415 LEU A CA 1 ATOM 2812 C C . LEU A 1 353 ? 28.069 30.604 70.028 1.00 33.02 ? 415 LEU A C 1 ATOM 2813 O O . LEU A 1 353 ? 28.266 31.822 70.133 1.00 33.29 ? 415 LEU A O 1 ATOM 2814 C CB . LEU A 1 353 ? 27.686 29.182 72.039 1.00 33.42 ? 415 LEU A CB 1 ATOM 2815 C CG . LEU A 1 353 ? 26.901 28.239 72.967 1.00 37.72 ? 415 LEU A CG 1 ATOM 2816 C CD1 . LEU A 1 353 ? 27.687 27.907 74.226 1.00 35.54 ? 415 LEU A CD1 1 ATOM 2817 C CD2 . LEU A 1 353 ? 25.544 28.783 73.333 1.00 41.19 ? 415 LEU A CD2 1 ATOM 2818 N N . GLY A 1 354 ? 28.782 29.840 69.211 1.00 29.79 ? 416 GLY A N 1 ATOM 2819 C CA . GLY A 1 354 ? 29.770 30.445 68.320 1.00 30.38 ? 416 GLY A CA 1 ATOM 2820 C C . GLY A 1 354 ? 29.158 31.426 67.343 1.00 29.54 ? 416 GLY A C 1 ATOM 2821 O O . GLY A 1 354 ? 29.677 32.548 67.162 1.00 29.96 ? 416 GLY A O 1 ATOM 2822 N N . ALA A 1 355 ? 28.028 31.028 66.741 1.00 30.86 ? 417 ALA A N 1 ATOM 2823 C CA . ALA A 1 355 ? 27.347 31.913 65.807 1.00 32.57 ? 417 ALA A CA 1 ATOM 2824 C C . ALA A 1 355 ? 26.856 33.184 66.494 1.00 34.08 ? 417 ALA A C 1 ATOM 2825 O O . ALA A 1 355 ? 26.934 34.280 65.905 1.00 32.80 ? 417 ALA A O 1 ATOM 2826 C CB . ALA A 1 355 ? 26.206 31.204 65.088 1.00 33.86 ? 417 ALA A CB 1 ATOM 2827 N N . ASP A 1 356 ? 26.361 33.044 67.727 1.00 31.75 ? 418 ASP A N 1 ATOM 2828 C CA . ASP A 1 356 ? 25.840 34.202 68.492 1.00 33.05 ? 418 ASP A CA 1 ATOM 2829 C C . ASP A 1 356 ? 26.963 35.192 68.730 1.00 33.16 ? 418 ASP A C 1 ATOM 2830 O O . ASP A 1 356 ? 26.758 36.398 68.723 1.00 33.42 ? 418 ASP A O 1 ATOM 2831 C CB . ASP A 1 356 ? 25.241 33.724 69.829 1.00 33.58 ? 418 ASP A CB 1 ATOM 2832 C CG . ASP A 1 356 ? 24.923 34.866 70.772 1.00 35.34 ? 418 ASP A CG 1 ATOM 2833 O OD1 . ASP A 1 356 ? 23.896 35.554 70.624 1.00 35.44 ? 418 ASP A OD1 1 ATOM 2834 O OD2 . ASP A 1 356 ? 25.738 35.077 71.681 1.00 36.47 ? 418 ASP A OD2 1 ATOM 2835 N N . HIS A 1 357 ? 28.164 34.675 68.951 1.00 33.97 ? 419 HIS A N 1 ATOM 2836 C CA . HIS A 1 357 ? 29.299 35.556 69.136 1.00 33.74 ? 419 HIS A CA 1 ATOM 2837 C C . HIS A 1 357 ? 29.566 36.387 67.912 1.00 33.98 ? 419 HIS A C 1 ATOM 2838 O O . HIS A 1 357 ? 29.844 37.586 68.018 1.00 36.57 ? 419 HIS A O 1 ATOM 2839 C CB . HIS A 1 357 ? 30.549 34.784 69.481 1.00 33.46 ? 419 HIS A CB 1 ATOM 2840 C CG . HIS A 1 357 ? 31.671 35.675 69.887 1.00 37.33 ? 419 HIS A CG 1 ATOM 2841 N ND1 . HIS A 1 357 ? 31.684 36.329 71.100 1.00 40.36 ? 419 HIS A ND1 1 ATOM 2842 C CD2 . HIS A 1 357 ? 32.786 36.073 69.227 1.00 36.01 ? 419 HIS A CD2 1 ATOM 2843 C CE1 . HIS A 1 357 ? 32.770 37.080 71.177 1.00 41.07 ? 419 HIS A CE1 1 ATOM 2844 N NE2 . HIS A 1 357 ? 33.453 36.939 70.053 1.00 36.69 ? 419 HIS A NE2 1 ATOM 2845 N N . ALA A 1 358 ? 29.498 35.750 66.745 1.00 33.79 ? 420 ALA A N 1 ATOM 2846 C CA . ALA A 1 358 ? 29.691 36.464 65.474 1.00 34.52 ? 420 ALA A CA 1 ATOM 2847 C C . ALA A 1 358 ? 28.547 37.389 65.105 1.00 34.07 ? 420 ALA A C 1 ATOM 2848 O O . ALA A 1 358 ? 28.774 38.400 64.422 1.00 32.68 ? 420 ALA A O 1 ATOM 2849 C CB . ALA A 1 358 ? 29.902 35.462 64.361 1.00 32.20 ? 420 ALA A CB 1 ATOM 2850 N N . GLU A 1 359 ? 27.327 37.039 65.524 1.00 33.61 ? 421 GLU A N 1 ATOM 2851 C CA . GLU A 1 359 ? 26.143 37.865 65.258 1.00 36.33 ? 421 GLU A CA 1 ATOM 2852 C C . GLU A 1 359 ? 25.309 38.094 66.544 1.00 36.57 ? 421 GLU A C 1 ATOM 2853 O O . GLU A 1 359 ? 24.221 37.544 66.699 1.00 35.63 ? 421 GLU A O 1 ATOM 2854 C CB . GLU A 1 359 ? 25.291 37.198 64.178 1.00 38.02 ? 421 GLU A CB 1 ATOM 2855 C CG . GLU A 1 359 ? 25.975 37.081 62.811 1.00 35.82 ? 421 GLU A CG 1 ATOM 2856 C CD . GLU A 1 359 ? 25.988 38.389 62.044 1.00 39.29 ? 421 GLU A CD 1 ATOM 2857 O OE1 . GLU A 1 359 ? 25.526 39.437 62.559 1.00 36.61 ? 421 GLU A OE1 1 ATOM 2858 O OE2 . GLU A 1 359 ? 26.483 38.373 60.911 1.00 38.63 ? 421 GLU A OE2 1 ATOM 2859 N N . PRO A 1 360 ? 25.829 38.927 67.456 1.00 38.18 ? 422 PRO A N 1 ATOM 2860 C CA . PRO A 1 360 ? 25.256 39.062 68.797 1.00 39.35 ? 422 PRO A CA 1 ATOM 2861 C C . PRO A 1 360 ? 23.896 39.739 68.857 1.00 41.23 ? 422 PRO A C 1 ATOM 2862 O O . PRO A 1 360 ? 23.234 39.665 69.895 1.00 42.66 ? 422 PRO A O 1 ATOM 2863 C CB . PRO A 1 360 ? 26.301 39.913 69.546 1.00 41.39 ? 422 PRO A CB 1 ATOM 2864 C CG . PRO A 1 360 ? 26.992 40.698 68.483 1.00 41.36 ? 422 PRO A CG 1 ATOM 2865 C CD . PRO A 1 360 ? 27.058 39.732 67.307 1.00 37.95 ? 422 PRO A CD 1 ATOM 2866 N N . THR A 1 361 ? 23.479 40.404 67.784 1.00 42.35 ? 423 THR A N 1 ATOM 2867 C CA . THR A 1 361 ? 22.163 41.059 67.801 1.00 41.34 ? 423 THR A CA 1 ATOM 2868 C C . THR A 1 361 ? 21.066 40.117 67.340 1.00 41.98 ? 423 THR A C 1 ATOM 2869 O O . THR A 1 361 ? 19.893 40.493 67.362 1.00 47.57 ? 423 THR A O 1 ATOM 2870 C CB . THR A 1 361 ? 22.105 42.280 66.878 1.00 44.13 ? 423 THR A CB 1 ATOM 2871 O OG1 . THR A 1 361 ? 22.283 41.857 65.512 1.00 42.23 ? 423 THR A OG1 1 ATOM 2872 C CG2 . THR A 1 361 ? 23.182 43.298 67.260 1.00 44.66 ? 423 THR A CG2 1 ATOM 2873 N N . TRP A 1 362 ? 21.416 38.914 66.910 1.00 39.19 ? 424 TRP A N 1 ATOM 2874 C CA . TRP A 1 362 ? 20.422 38.065 66.263 1.00 38.45 ? 424 TRP A CA 1 ATOM 2875 C C . TRP A 1 362 ? 19.658 37.151 67.215 1.00 41.92 ? 424 TRP A C 1 ATOM 2876 O O . TRP A 1 362 ? 18.696 36.503 66.802 1.00 43.05 ? 424 TRP A O 1 ATOM 2877 C CB . TRP A 1 362 ? 21.091 37.202 65.188 1.00 37.34 ? 424 TRP A CB 1 ATOM 2878 C CG . TRP A 1 362 ? 21.403 37.936 63.949 1.00 40.33 ? 424 TRP A CG 1 ATOM 2879 C CD1 . TRP A 1 362 ? 21.248 39.275 63.720 1.00 40.66 ? 424 TRP A CD1 1 ATOM 2880 C CD2 . TRP A 1 362 ? 21.952 37.388 62.760 1.00 39.80 ? 424 TRP A CD2 1 ATOM 2881 N NE1 . TRP A 1 362 ? 21.651 39.584 62.450 1.00 39.05 ? 424 TRP A NE1 1 ATOM 2882 C CE2 . TRP A 1 362 ? 22.098 38.443 61.844 1.00 40.91 ? 424 TRP A CE2 1 ATOM 2883 C CE3 . TRP A 1 362 ? 22.336 36.094 62.377 1.00 39.10 ? 424 TRP A CE3 1 ATOM 2884 C CZ2 . TRP A 1 362 ? 22.612 38.255 60.564 1.00 42.19 ? 424 TRP A CZ2 1 ATOM 2885 C CZ3 . TRP A 1 362 ? 22.866 35.909 61.099 1.00 39.38 ? 424 TRP A CZ3 1 ATOM 2886 C CH2 . TRP A 1 362 ? 22.992 36.981 60.214 1.00 39.31 ? 424 TRP A CH2 1 ATOM 2887 N N . ASN A 1 363 ? 20.106 37.036 68.459 1.00 37.87 ? 425 ASN A N 1 ATOM 2888 C CA . ASN A 1 363 ? 19.452 36.115 69.389 1.00 41.24 ? 425 ASN A CA 1 ATOM 2889 C C . ASN A 1 363 ? 19.367 34.663 68.898 1.00 42.03 ? 425 ASN A C 1 ATOM 2890 O O . ASN A 1 363 ? 18.379 33.931 69.137 1.00 46.03 ? 425 ASN A O 1 ATOM 2891 C CB . ASN A 1 363 ? 18.059 36.627 69.703 1.00 45.77 ? 425 ASN A CB 1 ATOM 2892 C CG . ASN A 1 363 ? 18.092 37.753 70.660 1.00 50.62 ? 425 ASN A CG 1 ATOM 2893 O OD1 . ASN A 1 363 ? 18.619 37.615 71.758 1.00 59.75 ? 425 ASN A OD1 1 ATOM 2894 N ND2 . ASN A 1 363 ? 17.572 38.893 70.254 1.00 53.48 ? 425 ASN A ND2 1 ATOM 2895 N N . LEU A 1 364 ? 20.422 34.243 68.235 1.00 36.95 ? 426 LEU A N 1 ATOM 2896 C CA . LEU A 1 364 ? 20.480 32.931 67.603 1.00 37.01 ? 426 LEU A CA 1 ATOM 2897 C C . LEU A 1 364 ? 20.285 31.773 68.521 1.00 33.78 ? 426 LEU A C 1 ATOM 2898 O O . LEU A 1 364 ? 19.794 30.757 68.087 1.00 35.79 ? 426 LEU A O 1 ATOM 2899 C CB . LEU A 1 364 ? 21.848 32.718 66.933 1.00 39.51 ? 426 LEU A CB 1 ATOM 2900 C CG . LEU A 1 364 ? 22.007 33.569 65.697 1.00 39.41 ? 426 LEU A CG 1 ATOM 2901 C CD1 . LEU A 1 364 ? 23.438 33.510 65.204 1.00 41.03 ? 426 LEU A CD1 1 ATOM 2902 C CD2 . LEU A 1 364 ? 21.038 33.068 64.644 1.00 43.44 ? 426 LEU A CD2 1 ATOM 2903 N N . LYS A 1 365 ? 20.723 31.881 69.776 1.00 37.09 ? 427 LYS A N 1 ATOM 2904 C CA . LYS A 1 365 ? 20.626 30.741 70.687 1.00 35.56 ? 427 LYS A CA 1 ATOM 2905 C C . LYS A 1 365 ? 19.210 30.206 70.828 1.00 36.78 ? 427 LYS A C 1 ATOM 2906 O O . LYS A 1 365 ? 19.023 29.010 71.075 1.00 37.85 ? 427 LYS A O 1 ATOM 2907 C CB . LYS A 1 365 ? 21.154 31.085 72.067 1.00 37.82 ? 427 LYS A CB 1 ATOM 2908 C CG . LYS A 1 365 ? 22.657 31.362 72.102 1.00 36.85 ? 427 LYS A CG 1 ATOM 2909 C CD . LYS A 1 365 ? 22.919 32.134 73.385 1.00 43.00 ? 427 LYS A CD 1 ATOM 2910 C CE . LYS A 1 365 ? 24.281 31.830 73.916 1.00 41.97 ? 427 LYS A CE 1 ATOM 2911 N NZ . LYS A 1 365 ? 24.400 32.278 75.335 1.00 47.56 ? 427 LYS A NZ 1 ATOM 2912 N N . ASP A 1 366 ? 18.221 31.077 70.666 1.00 34.63 ? 428 ASP A N 1 ATOM 2913 C CA . ASP A 1 366 ? 16.828 30.676 70.838 1.00 38.65 ? 428 ASP A CA 1 ATOM 2914 C C . ASP A 1 366 ? 16.479 29.610 69.801 1.00 37.07 ? 428 ASP A C 1 ATOM 2915 O O . ASP A 1 366 ? 15.575 28.817 70.030 1.00 34.87 ? 428 ASP A O 1 ATOM 2916 C CB . ASP A 1 366 ? 15.838 31.839 70.625 1.00 43.31 ? 428 ASP A CB 1 ATOM 2917 C CG . ASP A 1 366 ? 16.034 33.020 71.578 1.00 45.27 ? 428 ASP A CG 1 ATOM 2918 O OD1 . ASP A 1 366 ? 16.796 32.941 72.573 1.00 43.78 ? 428 ASP A OD1 1 ATOM 2919 O OD2 . ASP A 1 366 ? 15.374 34.050 71.284 1.00 47.67 ? 428 ASP A OD2 1 ATOM 2920 N N . LEU A 1 367 ? 17.175 29.629 68.651 1.00 37.82 ? 429 LEU A N 1 ATOM 2921 C CA . LEU A 1 367 ? 16.746 28.818 67.492 1.00 36.67 ? 429 LEU A CA 1 ATOM 2922 C C . LEU A 1 367 ? 16.924 27.321 67.675 1.00 33.68 ? 429 LEU A C 1 ATOM 2923 O O . LEU A 1 367 ? 16.356 26.526 66.938 1.00 35.13 ? 429 LEU A O 1 ATOM 2924 C CB . LEU A 1 367 ? 17.426 29.271 66.200 1.00 36.89 ? 429 LEU A CB 1 ATOM 2925 C CG . LEU A 1 367 ? 16.991 30.613 65.614 1.00 37.10 ? 429 LEU A CG 1 ATOM 2926 C CD1 . LEU A 1 367 ? 17.766 30.904 64.336 1.00 38.00 ? 429 LEU A CD1 1 ATOM 2927 C CD2 . LEU A 1 367 ? 15.494 30.620 65.355 1.00 39.39 ? 429 LEU A CD2 1 ATOM 2928 N N . ILE A 1 368 ? 17.717 26.926 68.660 1.00 31.06 ? 430 ILE A N 1 ATOM 2929 C CA . ILE A 1 368 ? 17.860 25.512 68.998 1.00 30.10 ? 430 ILE A CA 1 ATOM 2930 C C . ILE A 1 368 ? 16.533 24.859 69.404 1.00 31.57 ? 430 ILE A C 1 ATOM 2931 O O . ILE A 1 368 ? 16.352 23.641 69.252 1.00 31.32 ? 430 ILE A O 1 ATOM 2932 C CB . ILE A 1 368 ? 18.905 25.307 70.094 1.00 29.86 ? 430 ILE A CB 1 ATOM 2933 C CG1 . ILE A 1 368 ? 19.292 23.835 70.186 1.00 29.88 ? 430 ILE A CG1 1 ATOM 2934 C CG2 . ILE A 1 368 ? 18.388 25.798 71.475 1.00 32.36 ? 430 ILE A CG2 1 ATOM 2935 C CD1 . ILE A 1 368 ? 20.555 23.628 70.992 1.00 28.94 ? 430 ILE A CD1 1 ATOM 2936 N N . VAL A 1 369 ? 15.610 25.660 69.928 1.00 31.94 ? 431 VAL A N 1 ATOM 2937 C CA . VAL A 1 369 ? 14.343 25.130 70.405 1.00 33.54 ? 431 VAL A CA 1 ATOM 2938 C C . VAL A 1 369 ? 13.473 24.644 69.241 1.00 33.82 ? 431 VAL A C 1 ATOM 2939 O O . VAL A 1 369 ? 13.112 23.465 69.189 1.00 31.84 ? 431 VAL A O 1 ATOM 2940 C CB . VAL A 1 369 ? 13.630 26.138 71.329 1.00 34.71 ? 431 VAL A CB 1 ATOM 2941 C CG1 . VAL A 1 369 ? 12.220 25.654 71.683 1.00 35.03 ? 431 VAL A CG1 1 ATOM 2942 C CG2 . VAL A 1 369 ? 14.498 26.364 72.581 1.00 32.79 ? 431 VAL A CG2 1 ATOM 2943 N N . PRO A 1 370 ? 13.160 25.518 68.280 1.00 34.80 ? 432 PRO A N 1 ATOM 2944 C CA . PRO A 1 370 ? 12.413 24.953 67.148 1.00 35.87 ? 432 PRO A CA 1 ATOM 2945 C C . PRO A 1 370 ? 13.289 24.099 66.241 1.00 35.23 ? 432 PRO A C 1 ATOM 2946 O O . PRO A 1 370 ? 12.808 23.149 65.643 1.00 37.42 ? 432 PRO A O 1 ATOM 2947 C CB . PRO A 1 370 ? 11.947 26.194 66.393 1.00 36.21 ? 432 PRO A CB 1 ATOM 2948 C CG . PRO A 1 370 ? 12.921 27.254 66.763 1.00 36.87 ? 432 PRO A CG 1 ATOM 2949 C CD . PRO A 1 370 ? 13.223 26.986 68.207 1.00 35.60 ? 432 PRO A CD 1 ATOM 2950 N N . GLY A 1 371 ? 14.570 24.432 66.145 1.00 35.23 ? 433 GLY A N 1 ATOM 2951 C CA . GLY A 1 371 ? 15.480 23.780 65.191 1.00 33.67 ? 433 GLY A CA 1 ATOM 2952 C C . GLY A 1 371 ? 15.899 22.375 65.556 1.00 33.98 ? 433 GLY A C 1 ATOM 2953 O O . GLY A 1 371 ? 16.120 21.557 64.670 1.00 31.23 ? 433 GLY A O 1 ATOM 2954 N N . ASP A 1 372 ? 16.089 22.126 66.851 1.00 28.93 ? 434 ASP A N 1 ATOM 2955 C CA . ASP A 1 372 ? 16.578 20.832 67.334 1.00 29.92 ? 434 ASP A CA 1 ATOM 2956 C C . ASP A 1 372 ? 15.652 20.160 68.352 1.00 32.89 ? 434 ASP A C 1 ATOM 2957 O O . ASP A 1 372 ? 15.340 18.976 68.209 1.00 32.14 ? 434 ASP A O 1 ATOM 2958 C CB . ASP A 1 372 ? 18.001 20.957 67.898 1.00 28.77 ? 434 ASP A CB 1 ATOM 2959 C CG . ASP A 1 372 ? 19.037 21.219 66.791 1.00 33.17 ? 434 ASP A CG 1 ATOM 2960 O OD1 . ASP A 1 372 ? 19.256 20.338 65.937 1.00 30.15 ? 434 ASP A OD1 1 ATOM 2961 O OD2 . ASP A 1 372 ? 19.546 22.347 66.705 1.00 33.16 ? 434 ASP A OD2 1 ATOM 2962 N N . VAL A 1 373 ? 15.213 20.909 69.369 1.00 30.19 ? 435 VAL A N 1 ATOM 2963 C CA . VAL A 1 373 ? 14.412 20.332 70.455 1.00 31.20 ? 435 VAL A CA 1 ATOM 2964 C C . VAL A 1 373 ? 13.092 19.772 69.935 1.00 29.84 ? 435 VAL A C 1 ATOM 2965 O O . VAL A 1 373 ? 12.834 18.560 70.014 1.00 31.94 ? 435 VAL A O 1 ATOM 2966 C CB . VAL A 1 373 ? 14.140 21.324 71.631 1.00 31.02 ? 435 VAL A CB 1 ATOM 2967 C CG1 . VAL A 1 373 ? 13.294 20.635 72.697 1.00 32.48 ? 435 VAL A CG1 1 ATOM 2968 C CG2 . VAL A 1 373 ? 15.447 21.795 72.288 1.00 29.61 ? 435 VAL A CG2 1 ATOM 2969 N N . TYR A 1 374 ? 12.245 20.633 69.406 1.00 30.16 ? 436 TYR A N 1 ATOM 2970 C CA . TYR A 1 374 ? 10.936 20.149 68.940 1.00 34.60 ? 436 TYR A CA 1 ATOM 2971 C C . TYR A 1 374 ? 11.025 19.280 67.707 1.00 33.63 ? 436 TYR A C 1 ATOM 2972 O O . TYR A 1 374 ? 10.230 18.369 67.500 1.00 33.72 ? 436 TYR A O 1 ATOM 2973 C CB . TYR A 1 374 ? 9.976 21.305 68.763 1.00 34.40 ? 436 TYR A CB 1 ATOM 2974 C CG . TYR A 1 374 ? 9.466 21.777 70.113 1.00 36.58 ? 436 TYR A CG 1 ATOM 2975 C CD1 . TYR A 1 374 ? 8.564 21.018 70.842 1.00 37.70 ? 436 TYR A CD1 1 ATOM 2976 C CD2 . TYR A 1 374 ? 9.925 22.961 70.678 1.00 37.84 ? 436 TYR A CD2 1 ATOM 2977 C CE1 . TYR A 1 374 ? 8.125 21.428 72.098 1.00 35.68 ? 436 TYR A CE1 1 ATOM 2978 C CE2 . TYR A 1 374 ? 9.479 23.383 71.928 1.00 38.13 ? 436 TYR A CE2 1 ATOM 2979 C CZ . TYR A 1 374 ? 8.578 22.616 72.632 1.00 37.14 ? 436 TYR A CZ 1 ATOM 2980 O OH . TYR A 1 374 ? 8.136 23.068 73.859 1.00 37.23 ? 436 TYR A OH 1 ATOM 2981 N N . ARG A 1 375 ? 12.043 19.537 66.906 1.00 34.06 ? 437 ARG A N 1 ATOM 2982 C CA . ARG A 1 375 ? 12.300 18.695 65.763 1.00 35.00 ? 437 ARG A CA 1 ATOM 2983 C C . ARG A 1 375 ? 12.554 17.239 66.162 1.00 33.38 ? 437 ARG A C 1 ATOM 2984 O O . ARG A 1 375 ? 11.894 16.315 65.657 1.00 34.95 ? 437 ARG A O 1 ATOM 2985 C CB . ARG A 1 375 ? 13.490 19.264 64.981 1.00 36.26 ? 437 ARG A CB 1 ATOM 2986 C CG . ARG A 1 375 ? 14.025 18.362 63.893 1.00 39.85 ? 437 ARG A CG 1 ATOM 2987 C CD . ARG A 1 375 ? 15.344 18.946 63.405 1.00 43.89 ? 437 ARG A CD 1 ATOM 2988 N NE . ARG A 1 375 ? 15.410 18.695 62.009 1.00 48.88 ? 437 ARG A NE 1 ATOM 2989 C CZ . ARG A 1 375 ? 14.708 19.365 61.107 1.00 50.40 ? 437 ARG A CZ 1 ATOM 2990 N NH1 . ARG A 1 375 ? 14.822 19.016 59.851 1.00 56.23 ? 437 ARG A NH1 1 ATOM 2991 N NH2 . ARG A 1 375 ? 13.894 20.360 61.462 1.00 56.52 ? 437 ARG A NH2 1 ATOM 2992 N N . VAL A 1 376 ? 13.504 17.030 67.066 1.00 29.80 ? 438 VAL A N 1 ATOM 2993 C CA . VAL A 1 376 ? 13.826 15.664 67.472 1.00 31.03 ? 438 VAL A CA 1 ATOM 2994 C C . VAL A 1 376 ? 12.757 15.037 68.375 1.00 31.85 ? 438 VAL A C 1 ATOM 2995 O O . VAL A 1 376 ? 12.598 13.812 68.365 1.00 31.94 ? 438 VAL A O 1 ATOM 2996 C CB . VAL A 1 376 ? 15.221 15.534 68.127 1.00 30.19 ? 438 VAL A CB 1 ATOM 2997 C CG1 . VAL A 1 376 ? 15.208 16.019 69.563 1.00 28.45 ? 438 VAL A CG1 1 ATOM 2998 C CG2 . VAL A 1 376 ? 15.740 14.081 68.050 1.00 28.49 ? 438 VAL A CG2 1 ATOM 2999 N N . MET A 1 377 ? 12.015 15.860 69.120 1.00 30.07 ? 439 MET A N 1 ATOM 3000 C CA . MET A 1 377 ? 10.933 15.331 69.939 1.00 31.37 ? 439 MET A CA 1 ATOM 3001 C C . MET A 1 377 ? 9.902 14.628 69.065 1.00 33.11 ? 439 MET A C 1 ATOM 3002 O O . MET A 1 377 ? 9.275 13.684 69.523 1.00 33.26 ? 439 MET A O 1 ATOM 3003 C CB . MET A 1 377 ? 10.254 16.423 70.764 1.00 32.62 ? 439 MET A CB 1 ATOM 3004 C CG . MET A 1 377 ? 11.009 16.743 72.032 1.00 31.82 ? 439 MET A CG 1 ATOM 3005 S SD . MET A 1 377 ? 10.303 18.142 72.899 1.00 34.69 ? 439 MET A SD 1 ATOM 3006 C CE . MET A 1 377 ? 11.139 17.996 74.473 1.00 34.00 ? 439 MET A CE 1 ATOM 3007 N N . ALA A 1 378 ? 9.711 15.096 67.827 1.00 33.30 ? 440 ALA A N 1 ATOM 3008 C CA . ALA A 1 378 ? 8.779 14.432 66.925 1.00 34.96 ? 440 ALA A CA 1 ATOM 3009 C C . ALA A 1 378 ? 9.128 12.954 66.688 1.00 35.11 ? 440 ALA A C 1 ATOM 3010 O O . ALA A 1 378 ? 8.218 12.110 66.648 1.00 36.29 ? 440 ALA A O 1 ATOM 3011 C CB . ALA A 1 378 ? 8.631 15.177 65.600 1.00 33.72 ? 440 ALA A CB 1 ATOM 3012 N N . VAL A 1 379 ? 10.414 12.633 66.558 1.00 31.52 ? 441 VAL A N 1 ATOM 3013 C CA . VAL A 1 379 ? 10.825 11.242 66.355 1.00 34.44 ? 441 VAL A CA 1 ATOM 3014 C C . VAL A 1 379 ? 11.171 10.502 67.653 1.00 33.87 ? 441 VAL A C 1 ATOM 3015 O O . VAL A 1 379 ? 11.129 9.286 67.688 1.00 33.88 ? 441 VAL A O 1 ATOM 3016 C CB . VAL A 1 379 ? 11.990 11.072 65.333 1.00 35.26 ? 441 VAL A CB 1 ATOM 3017 C CG1 . VAL A 1 379 ? 11.604 11.582 63.957 1.00 38.59 ? 441 VAL A CG1 1 ATOM 3018 C CG2 . VAL A 1 379 ? 13.252 11.786 65.770 1.00 34.50 ? 441 VAL A CG2 1 ATOM 3019 N N . ASP A 1 380 ? 11.481 11.234 68.725 1.00 31.61 ? 442 ASP A N 1 ATOM 3020 C CA . ASP A 1 380 ? 11.789 10.603 70.000 1.00 32.81 ? 442 ASP A CA 1 ATOM 3021 C C . ASP A 1 380 ? 10.502 10.293 70.824 1.00 35.28 ? 442 ASP A C 1 ATOM 3022 O O . ASP A 1 380 ? 10.593 9.662 71.859 1.00 34.66 ? 442 ASP A O 1 ATOM 3023 C CB . ASP A 1 380 ? 12.733 11.490 70.793 1.00 31.95 ? 442 ASP A CB 1 ATOM 3024 C CG . ASP A 1 380 ? 13.529 10.743 71.861 1.00 32.56 ? 442 ASP A CG 1 ATOM 3025 O OD1 . ASP A 1 380 ? 13.802 9.519 71.731 1.00 33.53 ? 442 ASP A OD1 1 ATOM 3026 O OD2 . ASP A 1 380 ? 13.916 11.428 72.841 1.00 31.60 ? 442 ASP A OD2 1 ATOM 3027 N N . ALA A 1 381 ? 9.339 10.731 70.338 1.00 33.30 ? 443 ALA A N 1 ATOM 3028 C CA . ALA A 1 381 ? 8.065 10.451 70.967 1.00 36.65 ? 443 ALA A CA 1 ATOM 3029 C C . ALA A 1 381 ? 7.373 9.300 70.236 1.00 37.47 ? 443 ALA A C 1 ATOM 3030 O O . ALA A 1 381 ? 6.120 9.227 70.181 1.00 36.64 ? 443 ALA A O 1 ATOM 3031 C CB . ALA A 1 381 ? 7.200 11.692 70.948 1.00 36.82 ? 443 ALA A CB 1 ATOM 3032 N N . LEU A 1 382 ? 8.208 8.439 69.641 1.00 36.39 ? 444 LEU A N 1 ATOM 3033 C CA . LEU A 1 382 ? 7.777 7.210 68.990 1.00 39.43 ? 444 LEU A CA 1 ATOM 3034 C C . LEU A 1 382 ? 8.324 5.966 69.709 1.00 36.86 ? 444 LEU A C 1 ATOM 3035 O O . LEU A 1 382 ? 9.423 5.969 70.291 1.00 35.38 ? 444 LEU A O 1 ATOM 3036 C CB . LEU A 1 382 ? 8.275 7.177 67.535 1.00 38.69 ? 444 LEU A CB 1 ATOM 3037 C CG . LEU A 1 382 ? 8.002 8.349 66.598 1.00 38.19 ? 444 LEU A CG 1 ATOM 3038 C CD1 . LEU A 1 382 ? 8.718 8.134 65.249 1.00 38.63 ? 444 LEU A CD1 1 ATOM 3039 C CD2 . LEU A 1 382 ? 6.506 8.513 66.400 1.00 38.25 ? 444 LEU A CD2 1 ATOM 3040 N N . ALA A 1 383 ? 7.561 4.887 69.625 1.00 36.52 ? 445 ALA A N 1 ATOM 3041 C CA . ALA A 1 383 ? 7.977 3.613 70.193 1.00 39.80 ? 445 ALA A CA 1 ATOM 3042 C C . ALA A 1 383 ? 9.219 3.071 69.479 1.00 38.85 ? 445 ALA A C 1 ATOM 3043 O O . ALA A 1 383 ? 9.977 2.286 70.037 1.00 41.47 ? 445 ALA A O 1 ATOM 3044 C CB . ALA A 1 383 ? 6.823 2.606 70.127 1.00 39.89 ? 445 ALA A CB 1 ATOM 3045 N N . SER A 1 384 ? 9.426 3.507 68.242 1.00 40.24 ? 446 SER A N 1 ATOM 3046 C CA . SER A 1 384 ? 10.516 3.010 67.393 1.00 39.04 ? 446 SER A CA 1 ATOM 3047 C C . SER A 1 384 ? 11.811 3.837 67.550 1.00 37.73 ? 446 SER A C 1 ATOM 3048 O O . SER A 1 384 ? 12.743 3.698 66.761 1.00 37.04 ? 446 SER A O 1 ATOM 3049 C CB . SER A 1 384 ? 10.062 3.046 65.928 1.00 40.43 ? 446 SER A CB 1 ATOM 3050 O OG . SER A 1 384 ? 9.687 4.385 65.577 1.00 37.75 ? 446 SER A OG 1 ATOM 3051 N N . SER A 1 385 ? 11.872 4.682 68.577 1.00 37.06 ? 447 SER A N 1 ATOM 3052 C CA . SER A 1 385 ? 13.053 5.504 68.837 1.00 34.46 ? 447 SER A CA 1 ATOM 3053 C C . SER A 1 385 ? 14.176 4.666 69.416 1.00 33.16 ? 447 SER A C 1 ATOM 3054 O O . SER A 1 385 ? 14.086 3.466 69.440 1.00 32.19 ? 447 SER A O 1 ATOM 3055 C CB . SER A 1 385 ? 12.725 6.676 69.763 1.00 34.06 ? 447 SER A CB 1 ATOM 3056 O OG . SER A 1 385 ? 13.836 7.561 69.828 1.00 32.95 ? 447 SER A OG 1 ATOM 3057 N N . HIS A 1 386 ? 15.256 5.303 69.831 1.00 32.08 ? 448 HIS A N 1 ATOM 3058 C CA . HIS A 1 386 ? 16.371 4.576 70.412 1.00 32.34 ? 448 HIS A CA 1 ATOM 3059 C C . HIS A 1 386 ? 17.156 5.473 71.370 1.00 31.36 ? 448 HIS A C 1 ATOM 3060 O O . HIS A 1 386 ? 17.136 6.660 71.220 1.00 32.32 ? 448 HIS A O 1 ATOM 3061 C CB . HIS A 1 386 ? 17.276 3.980 69.295 1.00 31.96 ? 448 HIS A CB 1 ATOM 3062 C CG . HIS A 1 386 ? 17.965 5.009 68.461 1.00 32.34 ? 448 HIS A CG 1 ATOM 3063 N ND1 . HIS A 1 386 ? 19.111 5.656 68.886 1.00 33.96 ? 448 HIS A ND1 1 ATOM 3064 C CD2 . HIS A 1 386 ? 17.662 5.537 67.252 1.00 31.64 ? 448 HIS A CD2 1 ATOM 3065 C CE1 . HIS A 1 386 ? 19.499 6.526 67.966 1.00 31.38 ? 448 HIS A CE1 1 ATOM 3066 N NE2 . HIS A 1 386 ? 18.640 6.472 66.963 1.00 32.69 ? 448 HIS A NE2 1 ATOM 3067 N N . PRO A 1 387 ? 17.839 4.900 72.370 1.00 30.01 ? 449 PRO A N 1 ATOM 3068 C CA . PRO A 1 387 ? 18.623 5.724 73.280 1.00 31.08 ? 449 PRO A CA 1 ATOM 3069 C C . PRO A 1 387 ? 19.817 6.396 72.585 1.00 31.03 ? 449 PRO A C 1 ATOM 3070 O O . PRO A 1 387 ? 20.326 5.898 71.557 1.00 30.63 ? 449 PRO A O 1 ATOM 3071 C CB . PRO A 1 387 ? 19.182 4.714 74.309 1.00 34.82 ? 449 PRO A CB 1 ATOM 3072 C CG . PRO A 1 387 ? 18.449 3.421 74.082 1.00 33.39 ? 449 PRO A CG 1 ATOM 3073 C CD . PRO A 1 387 ? 17.995 3.456 72.647 1.00 34.13 ? 449 PRO A CD 1 ATOM 3074 N N . LEU A 1 388 ? 20.267 7.517 73.149 1.00 31.02 ? 450 LEU A N 1 ATOM 3075 C CA . LEU A 1 388 ? 21.483 8.158 72.636 1.00 30.74 ? 450 LEU A CA 1 ATOM 3076 C C . LEU A 1 388 ? 22.646 7.209 72.663 1.00 32.09 ? 450 LEU A C 1 ATOM 3077 O O . LEU A 1 388 ? 23.406 7.141 71.705 1.00 32.00 ? 450 LEU A O 1 ATOM 3078 C CB . LEU A 1 388 ? 21.848 9.380 73.434 1.00 29.72 ? 450 LEU A CB 1 ATOM 3079 C CG . LEU A 1 388 ? 21.003 10.613 73.119 1.00 32.06 ? 450 LEU A CG 1 ATOM 3080 C CD1 . LEU A 1 388 ? 21.256 11.684 74.181 1.00 29.75 ? 450 LEU A CD1 1 ATOM 3081 C CD2 . LEU A 1 388 ? 21.305 11.150 71.719 1.00 30.46 ? 450 LEU A CD2 1 ATOM 3082 N N . THR A 1 389 ? 22.788 6.452 73.741 1.00 29.50 ? 451 THR A N 1 ATOM 3083 C CA . THR A 1 389 ? 23.920 5.556 73.827 1.00 32.05 ? 451 THR A CA 1 ATOM 3084 C C . THR A 1 389 ? 23.630 4.211 73.176 1.00 34.69 ? 451 THR A C 1 ATOM 3085 O O . THR A 1 389 ? 22.493 3.789 73.101 1.00 36.71 ? 451 THR A O 1 ATOM 3086 C CB . THR A 1 389 ? 24.318 5.311 75.277 1.00 33.86 ? 451 THR A CB 1 ATOM 3087 O OG1 . THR A 1 389 ? 23.263 4.652 75.925 1.00 38.52 ? 451 THR A OG1 1 ATOM 3088 C CG2 . THR A 1 389 ? 24.479 6.602 76.039 1.00 34.66 ? 451 THR A CG2 1 ATOM 3089 N N . THR A 1 390 ? 24.675 3.552 72.685 1.00 30.62 ? 452 THR A N 1 ATOM 3090 C CA . THR A 1 390 ? 24.581 2.228 72.109 1.00 33.52 ? 452 THR A CA 1 ATOM 3091 C C . THR A 1 390 ? 25.809 1.520 72.637 1.00 30.71 ? 452 THR A C 1 ATOM 3092 O O . THR A 1 390 ? 26.876 2.105 72.641 1.00 29.49 ? 452 THR A O 1 ATOM 3093 C CB . THR A 1 390 ? 24.728 2.230 70.566 1.00 34.65 ? 452 THR A CB 1 ATOM 3094 O OG1 . THR A 1 390 ? 23.917 3.254 69.940 1.00 35.32 ? 452 THR A OG1 1 ATOM 3095 C CG2 . THR A 1 390 ? 24.374 0.867 70.012 1.00 35.17 ? 452 THR A CG2 1 ATOM 3096 N N . PRO A 1 391 ? 25.685 0.264 73.064 1.00 33.53 ? 453 PRO A N 1 ATOM 3097 C CA . PRO A 1 391 ? 26.880 -0.424 73.507 1.00 32.86 ? 453 PRO A CA 1 ATOM 3098 C C . PRO A 1 391 ? 27.900 -0.530 72.366 1.00 30.99 ? 453 PRO A C 1 ATOM 3099 O O . PRO A 1 391 ? 27.534 -0.849 71.230 1.00 30.29 ? 453 PRO A O 1 ATOM 3100 C CB . PRO A 1 391 ? 26.366 -1.820 73.889 1.00 37.08 ? 453 PRO A CB 1 ATOM 3101 C CG . PRO A 1 391 ? 24.940 -1.596 74.254 1.00 38.53 ? 453 PRO A CG 1 ATOM 3102 C CD . PRO A 1 391 ? 24.469 -0.537 73.298 1.00 37.75 ? 453 PRO A CD 1 ATOM 3103 N N . ALA A 1 392 ? 29.157 -0.277 72.685 1.00 28.79 ? 454 ALA A N 1 ATOM 3104 C CA . ALA A 1 392 ? 30.240 -0.248 71.678 1.00 29.39 ? 454 ALA A CA 1 ATOM 3105 C C . ALA A 1 392 ? 30.339 -1.558 70.913 1.00 31.43 ? 454 ALA A C 1 ATOM 3106 O O . ALA A 1 392 ? 30.572 -1.580 69.693 1.00 30.35 ? 454 ALA A O 1 ATOM 3107 C CB . ALA A 1 392 ? 31.581 0.087 72.350 1.00 30.29 ? 454 ALA A CB 1 ATOM 3108 N N . GLU A 1 393 ? 30.090 -2.662 71.604 1.00 32.51 ? 455 GLU A N 1 ATOM 3109 C CA . GLU A 1 393 ? 30.201 -3.958 70.955 1.00 33.86 ? 455 GLU A CA 1 ATOM 3110 C C . GLU A 1 393 ? 29.037 -4.240 69.982 1.00 33.03 ? 455 GLU A C 1 ATOM 3111 O O . GLU A 1 393 ? 29.065 -5.231 69.269 1.00 35.62 ? 455 GLU A O 1 ATOM 3112 C CB . GLU A 1 393 ? 30.365 -5.087 72.001 1.00 38.53 ? 455 GLU A CB 1 ATOM 3113 C CG . GLU A 1 393 ? 29.135 -5.336 72.827 1.00 40.04 ? 455 GLU A CG 1 ATOM 3114 C CD . GLU A 1 393 ? 28.988 -4.451 74.070 1.00 46.99 ? 455 GLU A CD 1 ATOM 3115 O OE1 . GLU A 1 393 ? 29.731 -3.412 74.286 1.00 40.17 ? 455 GLU A OE1 1 ATOM 3116 O OE2 . GLU A 1 393 ? 28.079 -4.873 74.852 1.00 48.30 ? 455 GLU A OE2 1 ATOM 3117 N N . GLU A 1 394 ? 28.011 -3.393 69.928 1.00 31.49 ? 456 GLU A N 1 ATOM 3118 C CA . GLU A 1 394 ? 26.962 -3.583 68.925 1.00 32.44 ? 456 GLU A CA 1 ATOM 3119 C C . GLU A 1 394 ? 27.236 -2.778 67.639 1.00 33.07 ? 456 GLU A C 1 ATOM 3120 O O . GLU A 1 394 ? 26.519 -2.917 66.639 1.00 33.67 ? 456 GLU A O 1 ATOM 3121 C CB . GLU A 1 394 ? 25.633 -3.182 69.492 1.00 34.79 ? 456 GLU A CB 1 ATOM 3122 C CG . GLU A 1 394 ? 25.144 -4.137 70.575 1.00 36.66 ? 456 GLU A CG 1 ATOM 3123 C CD . GLU A 1 394 ? 23.826 -3.701 71.182 1.00 41.10 ? 456 GLU A CD 1 ATOM 3124 O OE1 . GLU A 1 394 ? 23.215 -2.708 70.718 1.00 44.16 ? 456 GLU A OE1 1 ATOM 3125 O OE2 . GLU A 1 394 ? 23.404 -4.359 72.134 1.00 47.47 ? 456 GLU A OE2 1 ATOM 3126 N N . VAL A 1 395 ? 28.265 -1.934 67.675 1.00 28.43 ? 457 VAL A N 1 ATOM 3127 C CA . VAL A 1 395 ? 28.596 -1.064 66.534 1.00 27.57 ? 457 VAL A CA 1 ATOM 3128 C C . VAL A 1 395 ? 29.908 -1.530 65.906 1.00 27.77 ? 457 VAL A C 1 ATOM 3129 O O . VAL A 1 395 ? 30.986 -1.213 66.411 1.00 26.60 ? 457 VAL A O 1 ATOM 3130 C CB . VAL A 1 395 ? 28.633 0.412 66.970 1.00 27.49 ? 457 VAL A CB 1 ATOM 3131 C CG1 . VAL A 1 395 ? 28.923 1.303 65.773 1.00 28.95 ? 457 VAL A CG1 1 ATOM 3132 C CG2 . VAL A 1 395 ? 27.309 0.807 67.668 1.00 27.81 ? 457 VAL A CG2 1 ATOM 3133 N N . ASN A 1 396 ? 29.814 -2.339 64.842 1.00 26.83 ? 458 ASN A N 1 ATOM 3134 C CA . ASN A 1 396 ? 31.009 -2.985 64.273 1.00 27.57 ? 458 ASN A CA 1 ATOM 3135 C C . ASN A 1 396 ? 31.261 -2.720 62.816 1.00 27.58 ? 458 ASN A C 1 ATOM 3136 O O . ASN A 1 396 ? 32.388 -2.399 62.433 1.00 29.63 ? 458 ASN A O 1 ATOM 3137 C CB . ASN A 1 396 ? 30.968 -4.491 64.509 1.00 29.57 ? 458 ASN A CB 1 ATOM 3138 C CG . ASN A 1 396 ? 31.027 -4.820 65.973 1.00 31.33 ? 458 ASN A CG 1 ATOM 3139 O OD1 . ASN A 1 396 ? 32.004 -4.493 66.663 1.00 31.01 ? 458 ASN A OD1 1 ATOM 3140 N ND2 . ASN A 1 396 ? 29.970 -5.399 66.472 1.00 33.65 ? 458 ASN A ND2 1 ATOM 3141 N N . THR A 1 397 ? 30.224 -2.855 62.006 1.00 29.22 ? 459 THR A N 1 ATOM 3142 C CA . THR A 1 397 ? 30.383 -2.764 60.540 1.00 28.29 ? 459 THR A CA 1 ATOM 3143 C C . THR A 1 397 ? 30.304 -1.312 60.091 1.00 28.71 ? 459 THR A C 1 ATOM 3144 O O . THR A 1 397 ? 29.744 -0.471 60.791 1.00 29.01 ? 459 THR A O 1 ATOM 3145 C CB . THR A 1 397 ? 29.300 -3.558 59.794 1.00 27.58 ? 459 THR A CB 1 ATOM 3146 O OG1 . THR A 1 397 ? 28.030 -2.954 60.047 1.00 29.89 ? 459 THR A OG1 1 ATOM 3147 C CG2 . THR A 1 397 ? 29.273 -4.982 60.294 1.00 33.71 ? 459 THR A CG2 1 ATOM 3148 N N . PRO A 1 398 ? 30.817 -1.013 58.889 1.00 28.23 ? 460 PRO A N 1 ATOM 3149 C CA . PRO A 1 398 ? 30.655 0.342 58.360 1.00 26.40 ? 460 PRO A CA 1 ATOM 3150 C C . PRO A 1 398 ? 29.157 0.732 58.296 1.00 27.33 ? 460 PRO A C 1 ATOM 3151 O O . PRO A 1 398 ? 28.850 1.856 58.569 1.00 27.87 ? 460 PRO A O 1 ATOM 3152 C CB . PRO A 1 398 ? 31.283 0.251 56.965 1.00 28.89 ? 460 PRO A CB 1 ATOM 3153 C CG . PRO A 1 398 ? 32.328 -0.820 57.125 1.00 29.59 ? 460 PRO A CG 1 ATOM 3154 C CD . PRO A 1 398 ? 31.677 -1.841 58.029 1.00 26.70 ? 460 PRO A CD 1 ATOM 3155 N N . ALA A 1 399 ? 28.250 -0.177 57.965 1.00 28.61 ? 461 ALA A N 1 ATOM 3156 C CA . ALA A 1 399 ? 26.809 0.149 57.967 1.00 30.61 ? 461 ALA A CA 1 ATOM 3157 C C . ALA A 1 399 ? 26.326 0.482 59.365 1.00 33.11 ? 461 ALA A C 1 ATOM 3158 O O . ALA A 1 399 ? 25.559 1.423 59.546 1.00 31.68 ? 461 ALA A O 1 ATOM 3159 C CB . ALA A 1 399 ? 25.964 -0.975 57.358 1.00 34.44 ? 461 ALA A CB 1 ATOM 3160 N N . GLN A 1 400 ? 26.774 -0.280 60.356 1.00 30.21 ? 462 GLN A N 1 ATOM 3161 C CA . GLN A 1 400 ? 26.340 -0.002 61.748 1.00 30.08 ? 462 GLN A CA 1 ATOM 3162 C C . GLN A 1 400 ? 26.854 1.367 62.217 1.00 29.00 ? 462 GLN A C 1 ATOM 3163 O O . GLN A 1 400 ? 26.171 2.107 62.928 1.00 29.52 ? 462 GLN A O 1 ATOM 3164 C CB . GLN A 1 400 ? 26.794 -1.100 62.675 1.00 30.32 ? 462 GLN A CB 1 ATOM 3165 C CG . GLN A 1 400 ? 25.980 -2.389 62.488 1.00 32.72 ? 462 GLN A CG 1 ATOM 3166 C CD . GLN A 1 400 ? 26.627 -3.589 63.146 1.00 34.54 ? 462 GLN A CD 1 ATOM 3167 O OE1 . GLN A 1 400 ? 27.814 -3.584 63.477 1.00 31.80 ? 462 GLN A OE1 1 ATOM 3168 N NE2 . GLN A 1 400 ? 25.847 -4.627 63.340 1.00 41.47 ? 462 GLN A NE2 1 ATOM 3169 N N . ILE A 1 401 ? 28.057 1.712 61.771 1.00 27.96 ? 463 ILE A N 1 ATOM 3170 C CA . ILE A 1 401 ? 28.676 3.006 62.096 1.00 27.98 ? 463 ILE A CA 1 ATOM 3171 C C . ILE A 1 401 ? 27.878 4.140 61.479 1.00 29.17 ? 463 ILE A C 1 ATOM 3172 O O . ILE A 1 401 ? 27.576 5.115 62.153 1.00 25.29 ? 463 ILE A O 1 ATOM 3173 C CB . ILE A 1 401 ? 30.133 3.017 61.636 1.00 28.30 ? 463 ILE A CB 1 ATOM 3174 C CG1 . ILE A 1 401 ? 30.952 2.053 62.513 1.00 26.84 ? 463 ILE A CG1 1 ATOM 3175 C CG2 . ILE A 1 401 ? 30.731 4.416 61.595 1.00 25.81 ? 463 ILE A CG2 1 ATOM 3176 C CD1 . ILE A 1 401 ? 32.350 1.734 61.990 1.00 25.13 ? 463 ILE A CD1 1 ATOM 3177 N N . SER A 1 402 ? 27.497 3.981 60.205 1.00 30.67 ? 464 SER A N 1 ATOM 3178 C CA . SER A 1 402 ? 26.695 4.980 59.517 1.00 30.70 ? 464 SER A CA 1 ATOM 3179 C C . SER A 1 402 ? 25.338 5.261 60.180 1.00 29.92 ? 464 SER A C 1 ATOM 3180 O O . SER A 1 402 ? 24.858 6.399 60.119 1.00 29.43 ? 464 SER A O 1 ATOM 3181 C CB . SER A 1 402 ? 26.568 4.581 58.026 1.00 31.80 ? 464 SER A CB 1 ATOM 3182 O OG . SER A 1 402 ? 27.910 4.629 57.440 1.00 35.98 ? 464 SER A OG 1 ATOM 3183 N N . GLU A 1 403 ? 24.735 4.249 60.813 1.00 30.52 ? 465 GLU A N 1 ATOM 3184 C CA . GLU A 1 403 ? 23.460 4.433 61.486 1.00 32.07 ? 465 GLU A CA 1 ATOM 3185 C C . GLU A 1 403 ? 23.566 5.331 62.706 1.00 29.65 ? 465 GLU A C 1 ATOM 3186 O O . GLU A 1 403 ? 22.548 5.738 63.207 1.00 30.49 ? 465 GLU A O 1 ATOM 3187 C CB . GLU A 1 403 ? 22.814 3.104 61.956 1.00 35.05 ? 465 GLU A CB 1 ATOM 3188 C CG . GLU A 1 403 ? 22.447 2.171 60.859 1.00 36.97 ? 465 GLU A CG 1 ATOM 3189 C CD . GLU A 1 403 ? 21.966 0.817 61.371 1.00 48.35 ? 465 GLU A CD 1 ATOM 3190 O OE1 . GLU A 1 403 ? 22.266 0.417 62.539 1.00 48.69 ? 465 GLU A OE1 1 ATOM 3191 O OE2 . GLU A 1 403 ? 21.283 0.130 60.575 1.00 56.26 ? 465 GLU A OE2 1 ATOM 3192 N N . MET A 1 404 ? 24.778 5.577 63.219 1.00 27.36 ? 466 MET A N 1 ATOM 3193 C CA . MET A 1 404 ? 24.955 6.485 64.353 1.00 28.39 ? 466 MET A CA 1 ATOM 3194 C C . MET A 1 404 ? 24.664 7.954 63.982 1.00 28.25 ? 466 MET A C 1 ATOM 3195 O O . MET A 1 404 ? 24.434 8.775 64.855 1.00 30.20 ? 466 MET A O 1 ATOM 3196 C CB . MET A 1 404 ? 26.385 6.417 64.902 1.00 27.28 ? 466 MET A CB 1 ATOM 3197 C CG . MET A 1 404 ? 26.845 5.043 65.324 1.00 27.20 ? 466 MET A CG 1 ATOM 3198 S SD . MET A 1 404 ? 25.951 4.540 66.834 1.00 30.83 ? 466 MET A SD 1 ATOM 3199 C CE . MET A 1 404 ? 24.776 3.388 66.103 1.00 30.72 ? 466 MET A CE 1 ATOM 3200 N N . PHE A 1 405 ? 24.681 8.280 62.698 1.00 27.49 ? 467 PHE A N 1 ATOM 3201 C CA . PHE A 1 405 ? 24.595 9.679 62.265 1.00 27.55 ? 467 PHE A CA 1 ATOM 3202 C C . PHE A 1 405 ? 23.138 10.021 61.985 1.00 31.34 ? 467 PHE A C 1 ATOM 3203 O O . PHE A 1 405 ? 22.755 10.158 60.831 1.00 32.75 ? 467 PHE A O 1 ATOM 3204 C CB . PHE A 1 405 ? 25.410 9.877 60.974 1.00 28.16 ? 467 PHE A CB 1 ATOM 3205 C CG . PHE A 1 405 ? 26.893 9.784 61.175 1.00 26.27 ? 467 PHE A CG 1 ATOM 3206 C CD1 . PHE A 1 405 ? 27.515 8.559 61.271 1.00 28.02 ? 467 PHE A CD1 1 ATOM 3207 C CD2 . PHE A 1 405 ? 27.666 10.928 61.274 1.00 27.46 ? 467 PHE A CD2 1 ATOM 3208 C CE1 . PHE A 1 405 ? 28.888 8.459 61.465 1.00 27.72 ? 467 PHE A CE1 1 ATOM 3209 C CE2 . PHE A 1 405 ? 29.052 10.851 61.454 1.00 29.25 ? 467 PHE A CE2 1 ATOM 3210 C CZ . PHE A 1 405 ? 29.669 9.602 61.559 1.00 29.00 ? 467 PHE A CZ 1 ATOM 3211 N N . ASP A 1 406 ? 22.308 10.099 63.008 1.00 28.94 ? 468 ASP A N 1 ATOM 3212 C CA . ASP A 1 406 ? 20.912 10.420 62.768 1.00 28.75 ? 468 ASP A CA 1 ATOM 3213 C C . ASP A 1 406 ? 20.471 11.616 63.642 1.00 28.47 ? 468 ASP A C 1 ATOM 3214 O O . ASP A 1 406 ? 21.269 12.219 64.374 1.00 27.85 ? 468 ASP A O 1 ATOM 3215 C CB . ASP A 1 406 ? 20.035 9.182 63.005 1.00 29.31 ? 468 ASP A CB 1 ATOM 3216 C CG . ASP A 1 406 ? 20.004 8.743 64.474 1.00 33.32 ? 468 ASP A CG 1 ATOM 3217 O OD1 . ASP A 1 406 ? 20.590 9.412 65.339 1.00 30.51 ? 468 ASP A OD1 1 ATOM 3218 O OD2 . ASP A 1 406 ? 19.389 7.709 64.766 1.00 35.65 ? 468 ASP A OD2 1 ATOM 3219 N N . SER A 1 407 ? 19.192 11.930 63.536 1.00 26.92 ? 469 SER A N 1 ATOM 3220 C CA . SER A 1 407 ? 18.552 13.036 64.217 1.00 31.01 ? 469 SER A CA 1 ATOM 3221 C C . SER A 1 407 ? 18.698 12.947 65.739 1.00 30.26 ? 469 SER A C 1 ATOM 3222 O O . SER A 1 407 ? 18.894 13.946 66.447 1.00 28.67 ? 469 SER A O 1 ATOM 3223 C CB . SER A 1 407 ? 17.056 12.948 63.815 1.00 33.59 ? 469 SER A CB 1 ATOM 3224 O OG . SER A 1 407 ? 16.457 14.141 64.107 1.00 41.90 ? 469 SER A OG 1 ATOM 3225 N N . ILE A 1 408 ? 18.586 11.732 66.258 1.00 30.60 ? 470 ILE A N 1 ATOM 3226 C CA . ILE A 1 408 ? 18.710 11.520 67.695 1.00 31.19 ? 470 ILE A CA 1 ATOM 3227 C C . ILE A 1 408 ? 20.125 11.964 68.133 1.00 29.30 ? 470 ILE A C 1 ATOM 3228 O O . ILE A 1 408 ? 20.283 12.812 69.022 1.00 28.04 ? 470 ILE A O 1 ATOM 3229 C CB . ILE A 1 408 ? 18.410 10.036 68.088 1.00 30.36 ? 470 ILE A CB 1 ATOM 3230 C CG1 . ILE A 1 408 ? 16.929 9.670 67.861 1.00 33.50 ? 470 ILE A CG1 1 ATOM 3231 C CG2 . ILE A 1 408 ? 18.850 9.753 69.498 1.00 29.97 ? 470 ILE A CG2 1 ATOM 3232 C CD1 . ILE A 1 408 ? 15.915 10.309 68.778 1.00 36.55 ? 470 ILE A CD1 1 ATOM 3233 N N . SER A 1 409 ? 21.145 11.420 67.474 1.00 27.10 ? 471 SER A N 1 ATOM 3234 C CA . SER A 1 409 ? 22.527 11.744 67.807 1.00 26.46 ? 471 SER A CA 1 ATOM 3235 C C . SER A 1 409 ? 22.822 13.250 67.776 1.00 27.55 ? 471 SER A C 1 ATOM 3236 O O . SER A 1 409 ? 23.404 13.788 68.729 1.00 27.94 ? 471 SER A O 1 ATOM 3237 C CB . SER A 1 409 ? 23.506 11.008 66.894 1.00 27.89 ? 471 SER A CB 1 ATOM 3238 O OG . SER A 1 409 ? 23.519 9.629 67.208 1.00 27.69 ? 471 SER A OG 1 ATOM 3239 N N . TYR A 1 410 ? 22.425 13.930 66.699 1.00 26.97 ? 472 TYR A N 1 ATOM 3240 C CA . TYR A 1 410 ? 22.704 15.361 66.553 1.00 27.75 ? 472 TYR A CA 1 ATOM 3241 C C . TYR A 1 410 ? 21.771 16.242 67.416 1.00 28.36 ? 472 TYR A C 1 ATOM 3242 O O . TYR A 1 410 ? 22.246 17.041 68.246 1.00 28.06 ? 472 TYR A O 1 ATOM 3243 C CB . TYR A 1 410 ? 22.582 15.811 65.088 1.00 28.63 ? 472 TYR A CB 1 ATOM 3244 C CG . TYR A 1 410 ? 23.703 15.372 64.171 1.00 27.12 ? 472 TYR A CG 1 ATOM 3245 C CD1 . TYR A 1 410 ? 23.878 14.010 63.819 1.00 27.57 ? 472 TYR A CD1 1 ATOM 3246 C CD2 . TYR A 1 410 ? 24.583 16.306 63.638 1.00 27.02 ? 472 TYR A CD2 1 ATOM 3247 C CE1 . TYR A 1 410 ? 24.898 13.623 62.955 1.00 29.24 ? 472 TYR A CE1 1 ATOM 3248 C CE2 . TYR A 1 410 ? 25.596 15.919 62.769 1.00 26.92 ? 472 TYR A CE2 1 ATOM 3249 C CZ . TYR A 1 410 ? 25.755 14.595 62.437 1.00 29.86 ? 472 TYR A CZ 1 ATOM 3250 O OH . TYR A 1 410 ? 26.795 14.237 61.571 1.00 28.45 ? 472 TYR A OH 1 ATOM 3251 N N . SER A 1 411 ? 20.458 16.113 67.198 1.00 26.99 ? 473 SER A N 1 ATOM 3252 C CA . SER A 1 411 ? 19.487 17.042 67.785 1.00 28.30 ? 473 SER A CA 1 ATOM 3253 C C . SER A 1 411 ? 19.117 16.702 69.222 1.00 27.83 ? 473 SER A C 1 ATOM 3254 O O . SER A 1 411 ? 18.989 17.609 70.041 1.00 28.50 ? 473 SER A O 1 ATOM 3255 C CB . SER A 1 411 ? 18.236 17.140 66.910 1.00 30.30 ? 473 SER A CB 1 ATOM 3256 O OG . SER A 1 411 ? 18.519 17.864 65.711 1.00 28.37 ? 473 SER A OG 1 ATOM 3257 N N . LYS A 1 412 ? 18.938 15.419 69.557 1.00 27.76 ? 474 LYS A N 1 ATOM 3258 C CA . LYS A 1 412 ? 18.697 15.090 70.984 1.00 27.55 ? 474 LYS A CA 1 ATOM 3259 C C . LYS A 1 412 ? 20.009 15.239 71.739 1.00 26.74 ? 474 LYS A C 1 ATOM 3260 O O . LYS A 1 412 ? 20.047 15.743 72.868 1.00 27.33 ? 474 LYS A O 1 ATOM 3261 C CB . LYS A 1 412 ? 18.138 13.679 71.195 1.00 28.51 ? 474 LYS A CB 1 ATOM 3262 C CG . LYS A 1 412 ? 17.863 13.359 72.666 1.00 29.10 ? 474 LYS A CG 1 ATOM 3263 C CD . LYS A 1 412 ? 17.180 12.021 72.887 1.00 29.55 ? 474 LYS A CD 1 ATOM 3264 C CE . LYS A 1 412 ? 17.009 11.779 74.394 1.00 29.15 ? 474 LYS A CE 1 ATOM 3265 N NZ . LYS A 1 412 ? 16.143 10.598 74.664 1.00 29.37 ? 474 LYS A NZ 1 ATOM 3266 N N . GLY A 1 413 ? 21.107 14.834 71.100 1.00 27.51 ? 475 GLY A N 1 ATOM 3267 C CA . GLY A 1 413 ? 22.453 15.137 71.647 1.00 25.94 ? 475 GLY A CA 1 ATOM 3268 C C . GLY A 1 413 ? 22.608 16.607 72.052 1.00 27.56 ? 475 GLY A C 1 ATOM 3269 O O . GLY A 1 413 ? 22.980 16.942 73.213 1.00 27.59 ? 475 GLY A O 1 ATOM 3270 N N . ALA A 1 414 ? 22.291 17.506 71.121 1.00 27.14 ? 476 ALA A N 1 ATOM 3271 C CA . ALA A 1 414 ? 22.354 18.957 71.410 1.00 26.22 ? 476 ALA A CA 1 ATOM 3272 C C . ALA A 1 414 ? 21.414 19.324 72.568 1.00 26.58 ? 476 ALA A C 1 ATOM 3273 O O . ALA A 1 414 ? 21.777 20.109 73.429 1.00 26.50 ? 476 ALA A O 1 ATOM 3274 C CB . ALA A 1 414 ? 22.003 19.750 70.196 1.00 24.60 ? 476 ALA A CB 1 ATOM 3275 N N . SER A 1 415 ? 20.213 18.764 72.558 1.00 28.07 ? 477 SER A N 1 ATOM 3276 C CA . SER A 1 415 ? 19.183 19.152 73.496 1.00 27.99 ? 477 SER A CA 1 ATOM 3277 C C . SER A 1 415 ? 19.593 18.753 74.904 1.00 30.27 ? 477 SER A C 1 ATOM 3278 O O . SER A 1 415 ? 19.469 19.539 75.849 1.00 31.57 ? 477 SER A O 1 ATOM 3279 C CB . SER A 1 415 ? 17.851 18.498 73.112 1.00 29.47 ? 477 SER A CB 1 ATOM 3280 O OG . SER A 1 415 ? 17.340 18.971 71.856 1.00 29.90 ? 477 SER A OG 1 ATOM 3281 N N . VAL A 1 416 ? 20.092 17.528 75.075 1.00 29.51 ? 478 VAL A N 1 ATOM 3282 C CA . VAL A 1 416 ? 20.429 17.095 76.428 1.00 30.78 ? 478 VAL A CA 1 ATOM 3283 C C . VAL A 1 416 ? 21.698 17.759 76.923 1.00 28.99 ? 478 VAL A C 1 ATOM 3284 O O . VAL A 1 416 ? 21.813 18.045 78.110 1.00 28.76 ? 478 VAL A O 1 ATOM 3285 C CB . VAL A 1 416 ? 20.489 15.546 76.619 1.00 31.91 ? 478 VAL A CB 1 ATOM 3286 C CG1 . VAL A 1 416 ? 19.214 14.833 76.117 1.00 31.63 ? 478 VAL A CG1 1 ATOM 3287 C CG2 . VAL A 1 416 ? 21.697 14.953 75.966 1.00 32.76 ? 478 VAL A CG2 1 ATOM 3288 N N . ILE A 1 417 ? 22.655 18.025 76.039 1.00 28.39 ? 479 ILE A N 1 ATOM 3289 C CA . ILE A 1 417 ? 23.856 18.759 76.462 1.00 27.52 ? 479 ILE A CA 1 ATOM 3290 C C . ILE A 1 417 ? 23.514 20.195 76.873 1.00 27.99 ? 479 ILE A C 1 ATOM 3291 O O . ILE A 1 417 ? 24.007 20.675 77.874 1.00 27.95 ? 479 ILE A O 1 ATOM 3292 C CB . ILE A 1 417 ? 24.950 18.734 75.366 1.00 27.48 ? 479 ILE A CB 1 ATOM 3293 C CG1 . ILE A 1 417 ? 25.445 17.292 75.194 1.00 27.19 ? 479 ILE A CG1 1 ATOM 3294 C CG2 . ILE A 1 417 ? 26.107 19.666 75.736 1.00 27.12 ? 479 ILE A CG2 1 ATOM 3295 C CD1 . ILE A 1 417 ? 26.216 17.071 73.911 1.00 28.17 ? 479 ILE A CD1 1 ATOM 3296 N N . ARG A 1 418 ? 22.637 20.851 76.110 1.00 28.64 ? 480 ARG A N 1 ATOM 3297 C CA . ARG A 1 418 ? 22.169 22.170 76.472 1.00 29.13 ? 480 ARG A CA 1 ATOM 3298 C C . ARG A 1 418 ? 21.501 22.129 77.859 1.00 31.01 ? 480 ARG A C 1 ATOM 3299 O O . ARG A 1 418 ? 21.720 23.010 78.675 1.00 30.16 ? 480 ARG A O 1 ATOM 3300 C CB . ARG A 1 418 ? 21.203 22.703 75.435 1.00 29.53 ? 480 ARG A CB 1 ATOM 3301 C CG . ARG A 1 418 ? 20.503 24.000 75.837 1.00 30.89 ? 480 ARG A CG 1 ATOM 3302 C CD . ARG A 1 418 ? 19.804 24.622 74.643 1.00 31.39 ? 480 ARG A CD 1 ATOM 3303 N NE . ARG A 1 418 ? 18.885 25.725 74.981 1.00 31.91 ? 480 ARG A NE 1 ATOM 3304 C CZ . ARG A 1 418 ? 17.569 25.606 75.165 1.00 33.40 ? 480 ARG A CZ 1 ATOM 3305 N NH1 . ARG A 1 418 ? 16.969 24.424 75.091 1.00 32.97 ? 480 ARG A NH1 1 ATOM 3306 N NH2 . ARG A 1 418 ? 16.855 26.686 75.456 1.00 36.60 ? 480 ARG A NH2 1 ATOM 3307 N N . MET A 1 419 ? 20.670 21.124 78.094 1.00 30.62 ? 481 MET A N 1 ATOM 3308 C CA . MET A 1 419 ? 20.016 20.961 79.391 1.00 31.33 ? 481 MET A CA 1 ATOM 3309 C C . MET A 1 419 ? 21.028 20.865 80.529 1.00 30.65 ? 481 MET A C 1 ATOM 3310 O O . MET A 1 419 ? 20.887 21.505 81.566 1.00 32.86 ? 481 MET A O 1 ATOM 3311 C CB . MET A 1 419 ? 19.086 19.735 79.370 1.00 32.29 ? 481 MET A CB 1 ATOM 3312 C CG . MET A 1 419 ? 18.448 19.421 80.726 1.00 31.63 ? 481 MET A CG 1 ATOM 3313 S SD . MET A 1 419 ? 17.180 18.129 80.622 1.00 34.55 ? 481 MET A SD 1 ATOM 3314 C CE . MET A 1 419 ? 18.227 16.752 80.230 1.00 33.41 ? 481 MET A CE 1 ATOM 3315 N N . LEU A 1 420 ? 22.050 20.051 80.301 1.00 29.66 ? 482 LEU A N 1 ATOM 3316 C CA . LEU A 1 420 ? 23.106 19.801 81.238 1.00 30.18 ? 482 LEU A CA 1 ATOM 3317 C C . LEU A 1 420 ? 23.885 21.084 81.541 1.00 30.60 ? 482 LEU A C 1 ATOM 3318 O O . LEU A 1 420 ? 24.141 21.408 82.693 1.00 28.77 ? 482 LEU A O 1 ATOM 3319 C CB . LEU A 1 420 ? 24.062 18.753 80.640 1.00 29.20 ? 482 LEU A CB 1 ATOM 3320 C CG . LEU A 1 420 ? 25.367 18.444 81.391 1.00 29.63 ? 482 LEU A CG 1 ATOM 3321 C CD1 . LEU A 1 420 ? 25.109 17.920 82.817 1.00 29.96 ? 482 LEU A CD1 1 ATOM 3322 C CD2 . LEU A 1 420 ? 26.152 17.394 80.610 1.00 28.71 ? 482 LEU A CD2 1 ATOM 3323 N N . SER A 1 421 ? 24.271 21.808 80.498 1.00 28.83 ? 483 SER A N 1 ATOM 3324 C CA . SER A 1 421 ? 24.926 23.089 80.722 1.00 30.24 ? 483 SER A CA 1 ATOM 3325 C C . SER A 1 421 ? 24.042 24.000 81.556 1.00 30.35 ? 483 SER A C 1 ATOM 3326 O O . SER A 1 421 ? 24.515 24.674 82.473 1.00 31.41 ? 483 SER A O 1 ATOM 3327 C CB . SER A 1 421 ? 25.332 23.778 79.426 1.00 29.18 ? 483 SER A CB 1 ATOM 3328 O OG . SER A 1 421 ? 25.993 25.020 79.683 1.00 30.87 ? 483 SER A OG 1 ATOM 3329 N N A ASN A 1 422 ? 22.765 24.026 81.305 0.50 30.00 ? 484 ASN A N 1 ATOM 3330 N N B ASN A 1 422 ? 22.780 23.956 81.311 0.50 30.00 ? 484 ASN A N 1 ATOM 3331 C CA A ASN A 1 422 ? 21.891 24.912 82.009 0.50 32.13 ? 484 ASN A CA 1 ATOM 3332 C CA B ASN A 1 422 ? 21.903 24.861 81.938 0.50 32.13 ? 484 ASN A CA 1 ATOM 3333 C C A ASN A 1 422 ? 21.719 24.596 83.472 0.50 32.44 ? 484 ASN A C 1 ATOM 3334 C C B ASN A 1 422 ? 21.679 24.587 83.419 0.50 32.44 ? 484 ASN A C 1 ATOM 3335 O O A ASN A 1 422 ? 21.660 25.464 84.267 0.50 34.21 ? 484 ASN A O 1 ATOM 3336 O O B ASN A 1 422 ? 21.677 25.472 84.200 0.50 34.21 ? 484 ASN A O 1 ATOM 3337 C CB A ASN A 1 422 ? 20.570 24.979 81.321 0.50 34.85 ? 484 ASN A CB 1 ATOM 3338 C CB B ASN A 1 422 ? 20.638 24.826 81.175 0.50 34.85 ? 484 ASN A CB 1 ATOM 3339 C CG A ASN A 1 422 ? 20.517 26.091 80.352 0.50 43.20 ? 484 ASN A CG 1 ATOM 3340 C CG B ASN A 1 422 ? 19.862 26.037 81.359 0.50 43.20 ? 484 ASN A CG 1 ATOM 3341 O OD1 A ASN A 1 422 ? 20.169 27.193 80.697 0.50 47.97 ? 484 ASN A OD1 1 ATOM 3342 O OD1 B ASN A 1 422 ? 20.118 27.051 80.725 0.50 47.97 ? 484 ASN A OD1 1 ATOM 3343 N ND2 A ASN A 1 422 ? 20.904 25.822 79.133 0.50 47.69 ? 484 ASN A ND2 1 ATOM 3344 N ND2 B ASN A 1 422 ? 18.900 25.956 82.252 0.50 47.69 ? 484 ASN A ND2 1 ATOM 3345 N N . PHE A 1 423 ? 21.571 23.340 83.785 1.00 33.22 ? 485 PHE A N 1 ATOM 3346 C CA . PHE A 1 423 ? 21.373 23.005 85.200 1.00 34.50 ? 485 PHE A CA 1 ATOM 3347 C C . PHE A 1 423 ? 22.669 23.028 86.002 1.00 34.04 ? 485 PHE A C 1 ATOM 3348 O O . PHE A 1 423 ? 22.658 23.249 87.197 1.00 35.31 ? 485 PHE A O 1 ATOM 3349 C CB . PHE A 1 423 ? 20.518 21.752 85.414 1.00 35.57 ? 485 PHE A CB 1 ATOM 3350 C CG . PHE A 1 423 ? 21.183 20.422 85.110 1.00 33.69 ? 485 PHE A CG 1 ATOM 3351 C CD1 . PHE A 1 423 ? 22.195 19.917 85.916 1.00 32.72 ? 485 PHE A CD1 1 ATOM 3352 C CD2 . PHE A 1 423 ? 20.663 19.604 84.126 1.00 32.98 ? 485 PHE A CD2 1 ATOM 3353 C CE1 . PHE A 1 423 ? 22.735 18.668 85.695 1.00 31.91 ? 485 PHE A CE1 1 ATOM 3354 C CE2 . PHE A 1 423 ? 21.188 18.323 83.886 1.00 32.82 ? 485 PHE A CE2 1 ATOM 3355 C CZ . PHE A 1 423 ? 22.230 17.860 84.668 1.00 32.92 ? 485 PHE A CZ 1 ATOM 3356 N N . LEU A 1 424 ? 23.788 22.828 85.341 1.00 33.42 ? 486 LEU A N 1 ATOM 3357 C CA . LEU A 1 424 ? 25.104 23.127 85.877 1.00 32.75 ? 486 LEU A CA 1 ATOM 3358 C C . LEU A 1 424 ? 25.460 24.612 86.069 1.00 33.76 ? 486 LEU A C 1 ATOM 3359 O O . LEU A 1 424 ? 26.219 24.972 86.908 1.00 35.58 ? 486 LEU A O 1 ATOM 3360 C CB . LEU A 1 424 ? 26.201 22.394 85.102 1.00 33.79 ? 486 LEU A CB 1 ATOM 3361 C CG . LEU A 1 424 ? 26.256 20.878 85.185 1.00 34.58 ? 486 LEU A CG 1 ATOM 3362 C CD1 . LEU A 1 424 ? 27.512 20.328 84.564 1.00 33.47 ? 486 LEU A CD1 1 ATOM 3363 C CD2 . LEU A 1 424 ? 26.088 20.326 86.574 1.00 35.06 ? 486 LEU A CD2 1 ATOM 3364 N N . THR A 1 425 ? 24.967 25.404 85.157 1.00 33.65 ? 487 THR A N 1 ATOM 3365 C CA . THR A 1 425 ? 25.349 26.756 84.853 1.00 35.08 ? 487 THR A CA 1 ATOM 3366 C C . THR A 1 425 ? 26.476 26.699 83.848 1.00 34.39 ? 487 THR A C 1 ATOM 3367 O O . THR A 1 425 ? 27.298 25.863 83.923 1.00 31.88 ? 487 THR A O 1 ATOM 3368 C CB . THR A 1 425 ? 25.721 27.668 86.058 1.00 37.00 ? 487 THR A CB 1 ATOM 3369 O OG1 . THR A 1 425 ? 26.945 27.271 86.639 1.00 35.88 ? 487 THR A OG1 1 ATOM 3370 C CG2 . THR A 1 425 ? 24.635 27.662 87.076 1.00 37.87 ? 487 THR A CG2 1 ATOM 3371 N N . GLU A 1 426 ? 26.508 27.659 82.963 1.00 33.85 ? 488 GLU A N 1 ATOM 3372 C CA . GLU A 1 426 ? 27.466 27.658 81.906 1.00 32.80 ? 488 GLU A CA 1 ATOM 3373 C C . GLU A 1 426 ? 28.856 27.763 82.448 1.00 33.54 ? 488 GLU A C 1 ATOM 3374 O O . GLU A 1 426 ? 29.745 27.096 81.994 1.00 32.55 ? 488 GLU A O 1 ATOM 3375 C CB . GLU A 1 426 ? 27.186 28.766 80.928 1.00 37.08 ? 488 GLU A CB 1 ATOM 3376 C CG . GLU A 1 426 ? 28.184 28.825 79.807 1.00 37.57 ? 488 GLU A CG 1 ATOM 3377 C CD . GLU A 1 426 ? 27.775 29.750 78.710 1.00 40.16 ? 488 GLU A CD 1 ATOM 3378 O OE1 . GLU A 1 426 ? 28.102 30.908 78.785 1.00 40.90 ? 488 GLU A OE1 1 ATOM 3379 O OE2 . GLU A 1 426 ? 27.141 29.302 77.765 1.00 45.99 ? 488 GLU A OE2 1 ATOM 3380 N N . ASP A 1 427 ? 29.024 28.598 83.453 1.00 33.96 ? 489 ASP A N 1 ATOM 3381 C CA . ASP A 1 427 ? 30.353 28.767 84.011 1.00 34.30 ? 489 ASP A CA 1 ATOM 3382 C C . ASP A 1 427 ? 30.934 27.471 84.538 1.00 35.33 ? 489 ASP A C 1 ATOM 3383 O O . ASP A 1 427 ? 32.106 27.176 84.318 1.00 33.37 ? 489 ASP A O 1 ATOM 3384 C CB . ASP A 1 427 ? 30.345 29.821 85.095 1.00 36.62 ? 489 ASP A CB 1 ATOM 3385 C CG . ASP A 1 427 ? 30.337 31.214 84.527 1.00 42.36 ? 489 ASP A CG 1 ATOM 3386 O OD1 . ASP A 1 427 ? 30.581 31.409 83.313 1.00 47.10 ? 489 ASP A OD1 1 ATOM 3387 O OD2 . ASP A 1 427 ? 30.075 32.124 85.304 1.00 47.19 ? 489 ASP A OD2 1 ATOM 3388 N N . LEU A 1 428 ? 30.113 26.693 85.222 1.00 35.18 ? 490 LEU A N 1 ATOM 3389 C CA . LEU A 1 428 ? 30.550 25.433 85.791 1.00 32.15 ? 490 LEU A CA 1 ATOM 3390 C C . LEU A 1 428 ? 30.736 24.395 84.697 1.00 31.07 ? 490 LEU A C 1 ATOM 3391 O O . LEU A 1 428 ? 31.713 23.638 84.699 1.00 31.17 ? 490 LEU A O 1 ATOM 3392 C CB . LEU A 1 428 ? 29.517 24.960 86.807 1.00 36.07 ? 490 LEU A CB 1 ATOM 3393 C CG . LEU A 1 428 ? 29.898 23.881 87.813 1.00 37.99 ? 490 LEU A CG 1 ATOM 3394 C CD1 . LEU A 1 428 ? 31.203 24.236 88.478 1.00 39.96 ? 490 LEU A CD1 1 ATOM 3395 C CD2 . LEU A 1 428 ? 28.833 23.705 88.887 1.00 35.32 ? 490 LEU A CD2 1 ATOM 3396 N N . PHE A 1 429 ? 29.801 24.355 83.756 1.00 31.20 ? 491 PHE A N 1 ATOM 3397 C CA . PHE A 1 429 ? 29.949 23.474 82.603 1.00 31.24 ? 491 PHE A CA 1 ATOM 3398 C C . PHE A 1 429 ? 31.284 23.738 81.880 1.00 30.81 ? 491 PHE A C 1 ATOM 3399 O O . PHE A 1 429 ? 32.025 22.792 81.539 1.00 30.08 ? 491 PHE A O 1 ATOM 3400 C CB . PHE A 1 429 ? 28.765 23.633 81.660 1.00 28.98 ? 491 PHE A CB 1 ATOM 3401 C CG . PHE A 1 429 ? 28.782 22.679 80.484 1.00 29.45 ? 491 PHE A CG 1 ATOM 3402 C CD1 . PHE A 1 429 ? 28.277 21.427 80.594 1.00 29.88 ? 491 PHE A CD1 1 ATOM 3403 C CD2 . PHE A 1 429 ? 29.256 23.103 79.253 1.00 34.42 ? 491 PHE A CD2 1 ATOM 3404 C CE1 . PHE A 1 429 ? 28.282 20.564 79.517 1.00 31.00 ? 491 PHE A CE1 1 ATOM 3405 C CE2 . PHE A 1 429 ? 29.265 22.285 78.161 1.00 31.32 ? 491 PHE A CE2 1 ATOM 3406 C CZ . PHE A 1 429 ? 28.764 20.992 78.278 1.00 32.68 ? 491 PHE A CZ 1 ATOM 3407 N N . LYS A 1 430 ? 31.585 25.009 81.632 1.00 30.48 ? 492 LYS A N 1 ATOM 3408 C CA . LYS A 1 430 ? 32.822 25.360 80.933 1.00 31.83 ? 492 LYS A CA 1 ATOM 3409 C C . LYS A 1 430 ? 34.044 24.947 81.732 1.00 30.57 ? 492 LYS A C 1 ATOM 3410 O O . LYS A 1 430 ? 35.066 24.581 81.143 1.00 31.74 ? 492 LYS A O 1 ATOM 3411 C CB . LYS A 1 430 ? 32.918 26.865 80.673 1.00 31.16 ? 492 LYS A CB 1 ATOM 3412 C CG . LYS A 1 430 ? 32.015 27.331 79.540 1.00 34.83 ? 492 LYS A CG 1 ATOM 3413 C CD . LYS A 1 430 ? 31.896 28.853 79.506 1.00 34.67 ? 492 LYS A CD 1 ATOM 3414 C CE . LYS A 1 430 ? 33.269 29.481 79.457 1.00 34.39 ? 492 LYS A CE 1 ATOM 3415 N NZ . LYS A 1 430 ? 33.086 30.915 79.137 1.00 39.83 ? 492 LYS A NZ 1 ATOM 3416 N N . GLU A 1 431 ? 33.962 25.009 83.062 1.00 32.62 ? 493 GLU A N 1 ATOM 3417 C CA . GLU A 1 431 ? 35.111 24.605 83.878 1.00 33.38 ? 493 GLU A CA 1 ATOM 3418 C C . GLU A 1 431 ? 35.421 23.103 83.692 1.00 31.10 ? 493 GLU A C 1 ATOM 3419 O O . GLU A 1 431 ? 36.588 22.716 83.508 1.00 29.96 ? 493 GLU A O 1 ATOM 3420 C CB . GLU A 1 431 ? 34.928 24.966 85.377 1.00 32.95 ? 493 GLU A CB 1 ATOM 3421 C CG . GLU A 1 431 ? 36.124 24.582 86.237 1.00 33.59 ? 493 GLU A CG 1 ATOM 3422 C CD . GLU A 1 431 ? 35.908 24.804 87.716 1.00 35.74 ? 493 GLU A CD 1 ATOM 3423 O OE1 . GLU A 1 431 ? 34.842 25.343 88.079 1.00 38.63 ? 493 GLU A OE1 1 ATOM 3424 O OE2 . GLU A 1 431 ? 36.789 24.422 88.514 1.00 37.54 ? 493 GLU A OE2 1 ATOM 3425 N N . GLY A 1 432 ? 34.405 22.254 83.749 1.00 30.73 ? 494 GLY A N 1 ATOM 3426 C CA . GLY A 1 432 ? 34.653 20.817 83.546 1.00 31.20 ? 494 GLY A CA 1 ATOM 3427 C C . GLY A 1 432 ? 35.019 20.507 82.102 1.00 31.55 ? 494 GLY A C 1 ATOM 3428 O O . GLY A 1 432 ? 35.815 19.597 81.829 1.00 30.15 ? 494 GLY A O 1 ATOM 3429 N N . LEU A 1 433 ? 34.421 21.242 81.171 1.00 30.01 ? 495 LEU A N 1 ATOM 3430 C CA . LEU A 1 433 ? 34.759 21.127 79.769 1.00 30.68 ? 495 LEU A CA 1 ATOM 3431 C C . LEU A 1 433 ? 36.274 21.373 79.533 1.00 31.23 ? 495 LEU A C 1 ATOM 3432 O O . LEU A 1 433 ? 36.961 20.577 78.864 1.00 29.68 ? 495 LEU A O 1 ATOM 3433 C CB . LEU A 1 433 ? 33.860 22.045 78.925 1.00 29.55 ? 495 LEU A CB 1 ATOM 3434 C CG . LEU A 1 433 ? 34.138 22.149 77.430 1.00 32.08 ? 495 LEU A CG 1 ATOM 3435 C CD1 . LEU A 1 433 ? 33.903 20.797 76.748 1.00 32.03 ? 495 LEU A CD1 1 ATOM 3436 C CD2 . LEU A 1 433 ? 33.291 23.251 76.771 1.00 31.57 ? 495 LEU A CD2 1 ATOM 3437 N N . ALA A 1 434 ? 36.797 22.459 80.095 1.00 30.46 ? 496 ALA A N 1 ATOM 3438 C CA . ALA A 1 434 ? 38.230 22.775 80.012 1.00 31.25 ? 496 ALA A CA 1 ATOM 3439 C C . ALA A 1 434 ? 39.077 21.656 80.626 1.00 31.40 ? 496 ALA A C 1 ATOM 3440 O O . ALA A 1 434 ? 40.121 21.278 80.104 1.00 29.12 ? 496 ALA A O 1 ATOM 3441 C CB . ALA A 1 434 ? 38.541 24.112 80.712 1.00 30.09 ? 496 ALA A CB 1 ATOM 3442 N N . SER A 1 435 ? 38.650 21.185 81.788 1.00 32.73 ? 497 SER A N 1 ATOM 3443 C CA . SER A 1 435 ? 39.378 20.145 82.516 1.00 32.39 ? 497 SER A CA 1 ATOM 3444 C C . SER A 1 435 ? 39.469 18.856 81.649 1.00 30.53 ? 497 SER A C 1 ATOM 3445 O O . SER A 1 435 ? 40.536 18.228 81.530 1.00 29.42 ? 497 SER A O 1 ATOM 3446 C CB . SER A 1 435 ? 38.658 19.900 83.853 1.00 31.46 ? 497 SER A CB 1 ATOM 3447 O OG . SER A 1 435 ? 39.217 18.816 84.511 1.00 33.53 ? 497 SER A OG 1 ATOM 3448 N N . TYR A 1 436 ? 38.368 18.523 80.998 1.00 27.81 ? 498 TYR A N 1 ATOM 3449 C CA . TYR A 1 436 ? 38.291 17.377 80.113 1.00 27.39 ? 498 TYR A CA 1 ATOM 3450 C C . TYR A 1 436 ? 39.222 17.556 78.904 1.00 28.60 ? 498 TYR A C 1 ATOM 3451 O O . TYR A 1 436 ? 39.999 16.669 78.584 1.00 27.76 ? 498 TYR A O 1 ATOM 3452 C CB . TYR A 1 436 ? 36.842 17.246 79.653 1.00 27.51 ? 498 TYR A CB 1 ATOM 3453 C CG . TYR A 1 436 ? 36.534 16.350 78.471 1.00 26.77 ? 498 TYR A CG 1 ATOM 3454 C CD1 . TYR A 1 436 ? 36.226 15.015 78.644 1.00 28.01 ? 498 TYR A CD1 1 ATOM 3455 C CD2 . TYR A 1 436 ? 36.435 16.882 77.196 1.00 26.77 ? 498 TYR A CD2 1 ATOM 3456 C CE1 . TYR A 1 436 ? 35.851 14.216 77.560 1.00 26.86 ? 498 TYR A CE1 1 ATOM 3457 C CE2 . TYR A 1 436 ? 36.069 16.110 76.099 1.00 26.90 ? 498 TYR A CE2 1 ATOM 3458 C CZ . TYR A 1 436 ? 35.794 14.768 76.278 1.00 26.33 ? 498 TYR A CZ 1 ATOM 3459 O OH . TYR A 1 436 ? 35.417 14.014 75.194 1.00 24.65 ? 498 TYR A OH 1 ATOM 3460 N N . LEU A 1 437 ? 39.152 18.702 78.240 1.00 27.64 ? 499 LEU A N 1 ATOM 3461 C CA . LEU A 1 437 ? 39.982 18.910 77.051 1.00 28.71 ? 499 LEU A CA 1 ATOM 3462 C C . LEU A 1 437 ? 41.481 18.895 77.401 1.00 30.88 ? 499 LEU A C 1 ATOM 3463 O O . LEU A 1 437 ? 42.318 18.307 76.654 1.00 30.53 ? 499 LEU A O 1 ATOM 3464 C CB . LEU A 1 437 ? 39.653 20.219 76.394 1.00 27.43 ? 499 LEU A CB 1 ATOM 3465 C CG . LEU A 1 437 ? 38.278 20.361 75.743 1.00 28.77 ? 499 LEU A CG 1 ATOM 3466 C CD1 . LEU A 1 437 ? 38.131 21.775 75.187 1.00 29.08 ? 499 LEU A CD1 1 ATOM 3467 C CD2 . LEU A 1 437 ? 38.113 19.356 74.626 1.00 27.76 ? 499 LEU A CD2 1 ATOM 3468 N N . HIS A 1 438 ? 41.820 19.528 78.525 1.00 31.46 ? 500 HIS A N 1 ATOM 3469 C CA . HIS A 1 438 ? 43.215 19.568 78.961 1.00 32.54 ? 500 HIS A CA 1 ATOM 3470 C C . HIS A 1 438 ? 43.684 18.162 79.334 1.00 30.82 ? 500 HIS A C 1 ATOM 3471 O O . HIS A 1 438 ? 44.815 17.809 79.036 1.00 29.89 ? 500 HIS A O 1 ATOM 3472 C CB . HIS A 1 438 ? 43.451 20.506 80.140 1.00 32.53 ? 500 HIS A CB 1 ATOM 3473 C CG . HIS A 1 438 ? 43.091 21.934 79.864 1.00 38.31 ? 500 HIS A CG 1 ATOM 3474 N ND1 . HIS A 1 438 ? 42.946 22.436 78.584 1.00 37.98 ? 500 HIS A ND1 1 ATOM 3475 C CD2 . HIS A 1 438 ? 42.808 22.960 80.707 1.00 37.90 ? 500 HIS A CD2 1 ATOM 3476 C CE1 . HIS A 1 438 ? 42.601 23.716 78.653 1.00 38.17 ? 500 HIS A CE1 1 ATOM 3477 N NE2 . HIS A 1 438 ? 42.523 24.059 79.931 1.00 37.63 ? 500 HIS A NE2 1 ATOM 3478 N N . ALA A 1 439 ? 42.865 17.368 80.010 1.00 29.18 ? 501 ALA A N 1 ATOM 3479 C CA . ALA A 1 439 ? 43.328 16.035 80.431 1.00 28.54 ? 501 ALA A CA 1 ATOM 3480 C C . ALA A 1 439 ? 43.480 15.090 79.246 1.00 28.96 ? 501 ALA A C 1 ATOM 3481 O O . ALA A 1 439 ? 44.322 14.204 79.261 1.00 27.93 ? 501 ALA A O 1 ATOM 3482 C CB . ALA A 1 439 ? 42.354 15.412 81.415 1.00 30.42 ? 501 ALA A CB 1 ATOM 3483 N N . PHE A 1 440 ? 42.652 15.235 78.219 1.00 28.09 ? 502 PHE A N 1 ATOM 3484 C CA . PHE A 1 440 ? 42.627 14.230 77.146 1.00 26.73 ? 502 PHE A CA 1 ATOM 3485 C C . PHE A 1 440 ? 43.115 14.746 75.785 1.00 26.53 ? 502 PHE A C 1 ATOM 3486 O O . PHE A 1 440 ? 42.898 14.078 74.775 1.00 24.30 ? 502 PHE A O 1 ATOM 3487 C CB . PHE A 1 440 ? 41.184 13.674 77.016 1.00 26.47 ? 502 PHE A CB 1 ATOM 3488 C CG . PHE A 1 440 ? 40.756 12.830 78.206 1.00 26.88 ? 502 PHE A CG 1 ATOM 3489 C CD1 . PHE A 1 440 ? 41.241 11.540 78.362 1.00 27.71 ? 502 PHE A CD1 1 ATOM 3490 C CD2 . PHE A 1 440 ? 39.894 13.334 79.181 1.00 29.46 ? 502 PHE A CD2 1 ATOM 3491 C CE1 . PHE A 1 440 ? 40.852 10.743 79.442 1.00 31.11 ? 502 PHE A CE1 1 ATOM 3492 C CE2 . PHE A 1 440 ? 39.518 12.554 80.272 1.00 30.08 ? 502 PHE A CE2 1 ATOM 3493 C CZ . PHE A 1 440 ? 39.994 11.269 80.415 1.00 29.61 ? 502 PHE A CZ 1 ATOM 3494 N N . ALA A 1 441 ? 43.758 15.909 75.754 1.00 26.08 ? 503 ALA A N 1 ATOM 3495 C CA . ALA A 1 441 ? 44.248 16.475 74.523 1.00 28.17 ? 503 ALA A CA 1 ATOM 3496 C C . ALA A 1 441 ? 45.057 15.441 73.734 1.00 27.22 ? 503 ALA A C 1 ATOM 3497 O O . ALA A 1 441 ? 45.933 14.776 74.278 1.00 24.28 ? 503 ALA A O 1 ATOM 3498 C CB . ALA A 1 441 ? 45.093 17.709 74.798 1.00 28.60 ? 503 ALA A CB 1 ATOM 3499 N N . TYR A 1 442 ? 44.764 15.330 72.445 1.00 27.20 ? 504 TYR A N 1 ATOM 3500 C CA . TYR A 1 442 ? 45.455 14.389 71.517 1.00 26.77 ? 504 TYR A CA 1 ATOM 3501 C C . TYR A 1 442 ? 45.206 12.915 71.859 1.00 27.69 ? 504 TYR A C 1 ATOM 3502 O O . TYR A 1 442 ? 45.964 12.023 71.437 1.00 26.84 ? 504 TYR A O 1 ATOM 3503 C CB . TYR A 1 442 ? 46.954 14.709 71.411 1.00 26.47 ? 504 TYR A CB 1 ATOM 3504 C CG . TYR A 1 442 ? 47.235 16.179 71.161 1.00 25.01 ? 504 TYR A CG 1 ATOM 3505 C CD1 . TYR A 1 442 ? 47.132 16.711 69.887 1.00 26.54 ? 504 TYR A CD1 1 ATOM 3506 C CD2 . TYR A 1 442 ? 47.586 17.041 72.222 1.00 28.01 ? 504 TYR A CD2 1 ATOM 3507 C CE1 . TYR A 1 442 ? 47.384 18.063 69.646 1.00 26.48 ? 504 TYR A CE1 1 ATOM 3508 C CE2 . TYR A 1 442 ? 47.827 18.391 72.001 1.00 29.75 ? 504 TYR A CE2 1 ATOM 3509 C CZ . TYR A 1 442 ? 47.710 18.889 70.711 1.00 27.52 ? 504 TYR A CZ 1 ATOM 3510 O OH . TYR A 1 442 ? 47.905 20.225 70.480 1.00 29.07 ? 504 TYR A OH 1 ATOM 3511 N N . GLN A 1 443 ? 44.171 12.634 72.629 1.00 25.12 ? 505 GLN A N 1 ATOM 3512 C CA . GLN A 1 443 ? 43.834 11.272 73.023 1.00 25.92 ? 505 GLN A CA 1 ATOM 3513 C C . GLN A 1 443 ? 42.391 10.989 72.750 1.00 23.71 ? 505 GLN A C 1 ATOM 3514 O O . GLN A 1 443 ? 41.790 11.651 71.969 1.00 24.79 ? 505 GLN A O 1 ATOM 3515 C CB . GLN A 1 443 ? 44.224 11.026 74.473 1.00 27.31 ? 505 GLN A CB 1 ATOM 3516 C CG . GLN A 1 443 ? 45.643 11.378 74.815 1.00 29.48 ? 505 GLN A CG 1 ATOM 3517 C CD . GLN A 1 443 ? 45.918 11.349 76.290 1.00 37.51 ? 505 GLN A CD 1 ATOM 3518 O OE1 . GLN A 1 443 ? 45.599 10.425 76.951 1.00 40.64 ? 505 GLN A OE1 1 ATOM 3519 N NE2 . GLN A 1 443 ? 46.495 12.384 76.793 1.00 45.98 ? 505 GLN A NE2 1 ATOM 3520 N N . ASN A 1 444 ? 41.875 9.955 73.382 1.00 24.98 ? 506 ASN A N 1 ATOM 3521 C CA . ASN A 1 444 ? 40.539 9.456 73.147 1.00 25.35 ? 506 ASN A CA 1 ATOM 3522 C C . ASN A 1 444 ? 39.710 9.296 74.462 1.00 26.55 ? 506 ASN A C 1 ATOM 3523 O O . ASN A 1 444 ? 40.256 9.101 75.499 1.00 25.05 ? 506 ASN A O 1 ATOM 3524 C CB . ASN A 1 444 ? 40.558 8.180 72.256 1.00 25.03 ? 506 ASN A CB 1 ATOM 3525 C CG . ASN A 1 444 ? 41.163 6.961 72.928 1.00 26.27 ? 506 ASN A CG 1 ATOM 3526 O OD1 . ASN A 1 444 ? 40.483 6.317 73.665 1.00 27.82 ? 506 ASN A OD1 1 ATOM 3527 N ND2 . ASN A 1 444 ? 42.468 6.871 72.907 1.00 25.99 ? 506 ASN A ND2 1 ATOM 3528 N N . THR A 1 445 ? 38.405 9.376 74.361 1.00 26.01 ? 507 THR A N 1 ATOM 3529 C CA . THR A 1 445 ? 37.534 9.364 75.521 1.00 25.68 ? 507 THR A CA 1 ATOM 3530 C C . THR A 1 445 ? 36.239 8.618 75.272 1.00 26.10 ? 507 THR A C 1 ATOM 3531 O O . THR A 1 445 ? 35.976 8.245 74.179 1.00 27.10 ? 507 THR A O 1 ATOM 3532 C CB . THR A 1 445 ? 37.133 10.787 75.887 1.00 27.26 ? 507 THR A CB 1 ATOM 3533 O OG1 . THR A 1 445 ? 36.509 11.390 74.781 1.00 27.44 ? 507 THR A OG1 1 ATOM 3534 C CG2 . THR A 1 445 ? 38.304 11.600 76.259 1.00 27.06 ? 507 THR A CG2 1 ATOM 3535 N N . THR A 1 446 ? 35.447 8.407 76.314 1.00 27.23 ? 508 THR A N 1 ATOM 3536 C CA . THR A 1 446 ? 34.042 8.079 76.203 1.00 26.88 ? 508 THR A CA 1 ATOM 3537 C C . THR A 1 446 ? 33.251 9.177 76.922 1.00 26.04 ? 508 THR A C 1 ATOM 3538 O O . THR A 1 446 ? 33.827 10.004 77.597 1.00 24.79 ? 508 THR A O 1 ATOM 3539 C CB . THR A 1 446 ? 33.695 6.757 76.898 1.00 29.26 ? 508 THR A CB 1 ATOM 3540 O OG1 . THR A 1 446 ? 33.705 6.924 78.316 1.00 29.18 ? 508 THR A OG1 1 ATOM 3541 C CG2 . THR A 1 446 ? 34.665 5.634 76.507 1.00 29.41 ? 508 THR A CG2 1 ATOM 3542 N N . TYR A 1 447 ? 31.927 9.164 76.765 1.00 25.86 ? 509 TYR A N 1 ATOM 3543 C CA . TYR A 1 447 ? 31.072 10.170 77.395 1.00 26.46 ? 509 TYR A CA 1 ATOM 3544 C C . TYR A 1 447 ? 31.281 10.162 78.919 1.00 26.73 ? 509 TYR A C 1 ATOM 3545 O O . TYR A 1 447 ? 31.166 11.223 79.578 1.00 28.79 ? 509 TYR A O 1 ATOM 3546 C CB . TYR A 1 447 ? 29.611 9.947 76.974 1.00 27.33 ? 509 TYR A CB 1 ATOM 3547 C CG . TYR A 1 447 ? 28.980 8.685 77.544 1.00 29.40 ? 509 TYR A CG 1 ATOM 3548 C CD1 . TYR A 1 447 ? 29.126 7.451 76.933 1.00 31.72 ? 509 TYR A CD1 1 ATOM 3549 C CD2 . TYR A 1 447 ? 28.231 8.741 78.720 1.00 30.66 ? 509 TYR A CD2 1 ATOM 3550 C CE1 . TYR A 1 447 ? 28.532 6.297 77.481 1.00 31.45 ? 509 TYR A CE1 1 ATOM 3551 C CE2 . TYR A 1 447 ? 27.656 7.620 79.253 1.00 32.09 ? 509 TYR A CE2 1 ATOM 3552 C CZ . TYR A 1 447 ? 27.813 6.412 78.628 1.00 31.50 ? 509 TYR A CZ 1 ATOM 3553 O OH . TYR A 1 447 ? 27.254 5.318 79.190 1.00 34.36 ? 509 TYR A OH 1 ATOM 3554 N N . LEU A 1 448 ? 31.635 9.007 79.495 1.00 28.31 ? 510 LEU A N 1 ATOM 3555 C CA . LEU A 1 448 ? 31.810 8.919 80.962 1.00 28.09 ? 510 LEU A CA 1 ATOM 3556 C C . LEU A 1 448 ? 32.948 9.817 81.459 1.00 28.73 ? 510 LEU A C 1 ATOM 3557 O O . LEU A 1 448 ? 32.944 10.299 82.589 1.00 27.67 ? 510 LEU A O 1 ATOM 3558 C CB . LEU A 1 448 ? 32.083 7.480 81.373 1.00 28.84 ? 510 LEU A CB 1 ATOM 3559 C CG . LEU A 1 448 ? 30.836 6.612 81.178 1.00 30.61 ? 510 LEU A CG 1 ATOM 3560 C CD1 . LEU A 1 448 ? 31.133 5.139 81.434 1.00 34.62 ? 510 LEU A CD1 1 ATOM 3561 C CD2 . LEU A 1 448 ? 29.713 7.134 82.084 1.00 35.24 ? 510 LEU A CD2 1 ATOM 3562 N N . ASP A 1 449 ? 33.911 10.049 80.583 1.00 27.82 ? 511 ASP A N 1 ATOM 3563 C CA . ASP A 1 449 ? 35.026 10.926 80.874 1.00 29.50 ? 511 ASP A CA 1 ATOM 3564 C C . ASP A 1 449 ? 34.595 12.369 80.975 1.00 28.05 ? 511 ASP A C 1 ATOM 3565 O O . ASP A 1 449 ? 35.122 13.104 81.815 1.00 30.89 ? 511 ASP A O 1 ATOM 3566 C CB . ASP A 1 449 ? 36.127 10.833 79.818 1.00 28.75 ? 511 ASP A CB 1 ATOM 3567 C CG . ASP A 1 449 ? 36.815 9.478 79.816 1.00 31.54 ? 511 ASP A CG 1 ATOM 3568 O OD1 . ASP A 1 449 ? 37.231 9.020 80.887 1.00 29.33 ? 511 ASP A OD1 1 ATOM 3569 O OD2 . ASP A 1 449 ? 36.948 8.848 78.748 1.00 28.18 ? 511 ASP A OD2 1 ATOM 3570 N N . LEU A 1 450 ? 33.673 12.797 80.134 1.00 27.33 ? 512 LEU A N 1 ATOM 3571 C CA . LEU A 1 450 ? 33.170 14.145 80.251 1.00 28.26 ? 512 LEU A CA 1 ATOM 3572 C C . LEU A 1 450 ? 32.371 14.282 81.545 1.00 29.37 ? 512 LEU A C 1 ATOM 3573 O O . LEU A 1 450 ? 32.519 15.271 82.259 1.00 29.82 ? 512 LEU A O 1 ATOM 3574 C CB . LEU A 1 450 ? 32.314 14.544 79.034 1.00 27.96 ? 512 LEU A CB 1 ATOM 3575 C CG . LEU A 1 450 ? 31.780 15.992 79.090 1.00 28.41 ? 512 LEU A CG 1 ATOM 3576 C CD1 . LEU A 1 450 ? 32.884 17.029 79.219 1.00 28.85 ? 512 LEU A CD1 1 ATOM 3577 C CD2 . LEU A 1 450 ? 30.934 16.302 77.876 1.00 27.83 ? 512 LEU A CD2 1 ATOM 3578 N N . TRP A 1 451 ? 31.537 13.295 81.859 1.00 32.16 ? 513 TRP A N 1 ATOM 3579 C CA . TRP A 1 451 ? 30.726 13.374 83.079 1.00 30.20 ? 513 TRP A CA 1 ATOM 3580 C C . TRP A 1 451 ? 31.636 13.469 84.311 1.00 28.04 ? 513 TRP A C 1 ATOM 3581 O O . TRP A 1 451 ? 31.379 14.213 85.258 1.00 30.63 ? 513 TRP A O 1 ATOM 3582 C CB . TRP A 1 451 ? 29.827 12.155 83.218 1.00 30.52 ? 513 TRP A CB 1 ATOM 3583 C CG . TRP A 1 451 ? 28.738 11.894 82.220 1.00 29.91 ? 513 TRP A CG 1 ATOM 3584 C CD1 . TRP A 1 451 ? 27.996 10.753 82.172 1.00 30.52 ? 513 TRP A CD1 1 ATOM 3585 C CD2 . TRP A 1 451 ? 28.258 12.729 81.148 1.00 28.69 ? 513 TRP A CD2 1 ATOM 3586 N NE1 . TRP A 1 451 ? 27.076 10.821 81.161 1.00 30.59 ? 513 TRP A NE1 1 ATOM 3587 C CE2 . TRP A 1 451 ? 27.216 12.017 80.510 1.00 29.31 ? 513 TRP A CE2 1 ATOM 3588 C CE3 . TRP A 1 451 ? 28.595 14.002 80.671 1.00 29.49 ? 513 TRP A CE3 1 ATOM 3589 C CZ2 . TRP A 1 451 ? 26.523 12.524 79.418 1.00 29.30 ? 513 TRP A CZ2 1 ATOM 3590 C CZ3 . TRP A 1 451 ? 27.918 14.504 79.583 1.00 29.47 ? 513 TRP A CZ3 1 ATOM 3591 C CH2 . TRP A 1 451 ? 26.884 13.779 78.967 1.00 29.81 ? 513 TRP A CH2 1 ATOM 3592 N N . GLU A 1 452 ? 32.730 12.729 84.288 1.00 29.48 ? 514 GLU A N 1 ATOM 3593 C CA . GLU A 1 452 ? 33.647 12.719 85.412 1.00 31.87 ? 514 GLU A CA 1 ATOM 3594 C C . GLU A 1 452 ? 34.304 14.084 85.633 1.00 33.06 ? 514 GLU A C 1 ATOM 3595 O O . GLU A 1 452 ? 34.472 14.569 86.776 1.00 32.13 ? 514 GLU A O 1 ATOM 3596 C CB . GLU A 1 452 ? 34.693 11.614 85.200 1.00 34.74 ? 514 GLU A CB 1 ATOM 3597 C CG . GLU A 1 452 ? 35.666 11.523 86.348 1.00 41.05 ? 514 GLU A CG 1 ATOM 3598 C CD . GLU A 1 452 ? 36.633 10.359 86.271 1.00 48.57 ? 514 GLU A CD 1 ATOM 3599 O OE1 . GLU A 1 452 ? 36.328 9.337 85.613 1.00 41.87 ? 514 GLU A OE1 1 ATOM 3600 O OE2 . GLU A 1 452 ? 37.697 10.459 86.948 1.00 54.26 ? 514 GLU A OE2 1 ATOM 3601 N N . HIS A 1 453 ? 34.640 14.734 84.533 1.00 30.65 ? 515 HIS A N 1 ATOM 3602 C CA . HIS A 1 453 ? 35.214 16.050 84.605 1.00 31.08 ? 515 HIS A CA 1 ATOM 3603 C C . HIS A 1 453 ? 34.219 17.115 85.019 1.00 31.49 ? 515 HIS A C 1 ATOM 3604 O O . HIS A 1 453 ? 34.551 18.018 85.798 1.00 31.22 ? 515 HIS A O 1 ATOM 3605 C CB . HIS A 1 453 ? 35.966 16.375 83.305 1.00 30.15 ? 515 HIS A CB 1 ATOM 3606 C CG . HIS A 1 453 ? 37.320 15.760 83.298 1.00 31.73 ? 515 HIS A CG 1 ATOM 3607 N ND1 . HIS A 1 453 ? 38.442 16.424 83.745 1.00 31.20 ? 515 HIS A ND1 1 ATOM 3608 C CD2 . HIS A 1 453 ? 37.701 14.482 83.074 1.00 30.44 ? 515 HIS A CD2 1 ATOM 3609 C CE1 . HIS A 1 453 ? 39.467 15.592 83.741 1.00 32.93 ? 515 HIS A CE1 1 ATOM 3610 N NE2 . HIS A 1 453 ? 39.040 14.409 83.348 1.00 33.02 ? 515 HIS A NE2 1 ATOM 3611 N N . LEU A 1 454 ? 32.993 17.002 84.527 1.00 30.04 ? 516 LEU A N 1 ATOM 3612 C CA . LEU A 1 454 ? 31.932 17.867 85.032 1.00 31.16 ? 516 LEU A CA 1 ATOM 3613 C C . LEU A 1 454 ? 31.679 17.625 86.549 1.00 31.50 ? 516 LEU A C 1 ATOM 3614 O O . LEU A 1 454 ? 31.495 18.583 87.316 1.00 31.95 ? 516 LEU A O 1 ATOM 3615 C CB . LEU A 1 454 ? 30.663 17.691 84.197 1.00 30.64 ? 516 LEU A CB 1 ATOM 3616 C CG . LEU A 1 454 ? 30.762 18.083 82.712 1.00 30.99 ? 516 LEU A CG 1 ATOM 3617 C CD1 . LEU A 1 454 ? 29.478 17.682 82.027 1.00 30.59 ? 516 LEU A CD1 1 ATOM 3618 C CD2 . LEU A 1 454 ? 30.967 19.591 82.582 1.00 34.04 ? 516 LEU A CD2 1 ATOM 3619 N N . GLN A 1 455 ? 31.715 16.364 86.976 1.00 30.32 ? 517 GLN A N 1 ATOM 3620 C CA . GLN A 1 455 ? 31.529 16.030 88.387 1.00 32.72 ? 517 GLN A CA 1 ATOM 3621 C C . GLN A 1 455 ? 32.632 16.662 89.241 1.00 32.66 ? 517 GLN A C 1 ATOM 3622 O O . GLN A 1 455 ? 32.396 17.180 90.342 1.00 34.63 ? 517 GLN A O 1 ATOM 3623 C CB . GLN A 1 455 ? 31.494 14.498 88.612 1.00 32.67 ? 517 GLN A CB 1 ATOM 3624 C CG . GLN A 1 455 ? 31.031 14.125 90.024 1.00 33.99 ? 517 GLN A CG 1 ATOM 3625 C CD . GLN A 1 455 ? 29.552 14.442 90.223 1.00 36.94 ? 517 GLN A CD 1 ATOM 3626 O OE1 . GLN A 1 455 ? 28.694 13.927 89.489 1.00 34.72 ? 517 GLN A OE1 1 ATOM 3627 N NE2 . GLN A 1 455 ? 29.242 15.287 91.223 1.00 34.64 ? 517 GLN A NE2 1 ATOM 3628 N N . LYS A 1 456 ? 33.851 16.634 88.719 1.00 34.05 ? 518 LYS A N 1 ATOM 3629 C CA . LYS A 1 456 ? 34.973 17.279 89.421 1.00 37.96 ? 518 LYS A CA 1 ATOM 3630 C C . LYS A 1 456 ? 34.692 18.766 89.652 1.00 34.92 ? 518 LYS A C 1 ATOM 3631 O O . LYS A 1 456 ? 34.923 19.258 90.763 1.00 35.88 ? 518 LYS A O 1 ATOM 3632 C CB . LYS A 1 456 ? 36.330 17.054 88.698 1.00 38.58 ? 518 LYS A CB 1 ATOM 3633 C CG . LYS A 1 456 ? 37.525 17.663 89.448 1.00 46.79 ? 518 LYS A CG 1 ATOM 3634 C CD . LYS A 1 456 ? 38.897 16.965 89.249 1.00 49.64 ? 518 LYS A CD 1 ATOM 3635 C CE . LYS A 1 456 ? 39.302 16.925 87.805 1.00 50.82 ? 518 LYS A CE 1 ATOM 3636 N NZ . LYS A 1 456 ? 39.243 18.314 87.233 1.00 54.09 ? 518 LYS A NZ 1 ATOM 3637 N N . ALA A 1 457 ? 34.183 19.467 88.635 1.00 33.04 ? 519 ALA A N 1 ATOM 3638 C CA . ALA A 1 457 ? 33.850 20.887 88.799 1.00 35.39 ? 519 ALA A CA 1 ATOM 3639 C C . ALA A 1 457 ? 32.696 21.115 89.787 1.00 35.90 ? 519 ALA A C 1 ATOM 3640 O O . ALA A 1 457 ? 32.769 22.011 90.608 1.00 34.71 ? 519 ALA A O 1 ATOM 3641 C CB . ALA A 1 457 ? 33.542 21.538 87.456 1.00 33.03 ? 519 ALA A CB 1 ATOM 3642 N N . VAL A 1 458 ? 31.647 20.289 89.709 1.00 35.48 ? 520 VAL A N 1 ATOM 3643 C CA . VAL A 1 458 ? 30.566 20.343 90.694 1.00 34.32 ? 520 VAL A CA 1 ATOM 3644 C C . VAL A 1 458 ? 31.135 20.156 92.113 1.00 33.63 ? 520 VAL A C 1 ATOM 3645 O O . VAL A 1 458 ? 30.817 20.905 93.043 1.00 35.47 ? 520 VAL A O 1 ATOM 3646 C CB . VAL A 1 458 ? 29.491 19.275 90.412 1.00 33.77 ? 520 VAL A CB 1 ATOM 3647 C CG1 . VAL A 1 458 ? 28.443 19.258 91.541 1.00 32.59 ? 520 VAL A CG1 1 ATOM 3648 C CG2 . VAL A 1 458 ? 28.843 19.500 89.040 1.00 30.79 ? 520 VAL A CG2 1 ATOM 3649 N N . ASP A 1 459 ? 31.969 19.144 92.276 1.00 33.79 ? 521 ASP A N 1 ATOM 3650 C CA . ASP A 1 459 ? 32.477 18.822 93.599 1.00 36.88 ? 521 ASP A CA 1 ATOM 3651 C C . ASP A 1 459 ? 33.424 19.896 94.119 1.00 37.00 ? 521 ASP A C 1 ATOM 3652 O O . ASP A 1 459 ? 33.659 19.978 95.329 1.00 36.80 ? 521 ASP A O 1 ATOM 3653 C CB . ASP A 1 459 ? 33.187 17.467 93.594 1.00 39.41 ? 521 ASP A CB 1 ATOM 3654 C CG . ASP A 1 459 ? 32.249 16.290 93.324 1.00 41.02 ? 521 ASP A CG 1 ATOM 3655 O OD1 . ASP A 1 459 ? 31.016 16.458 93.277 1.00 39.00 ? 521 ASP A OD1 1 ATOM 3656 O OD2 . ASP A 1 459 ? 32.758 15.173 93.126 1.00 38.67 ? 521 ASP A OD2 1 ATOM 3657 N N . ALA A 1 460 ? 33.964 20.724 93.222 1.00 38.64 ? 522 ALA A N 1 ATOM 3658 C CA . ALA A 1 460 ? 34.873 21.773 93.662 1.00 39.95 ? 522 ALA A CA 1 ATOM 3659 C C . ALA A 1 460 ? 34.184 23.101 94.008 1.00 39.42 ? 522 ALA A C 1 ATOM 3660 O O . ALA A 1 460 ? 34.864 24.093 94.270 1.00 36.13 ? 522 ALA A O 1 ATOM 3661 C CB . ALA A 1 460 ? 35.972 21.986 92.640 1.00 38.85 ? 522 ALA A CB 1 ATOM 3662 N N . GLN A 1 461 ? 32.853 23.115 94.042 1.00 36.50 ? 523 GLN A N 1 ATOM 3663 C CA . GLN A 1 461 ? 32.120 24.327 94.408 1.00 39.76 ? 523 GLN A CA 1 ATOM 3664 C C . GLN A 1 461 ? 30.924 23.982 95.328 1.00 39.61 ? 523 GLN A C 1 ATOM 3665 O O . GLN A 1 461 ? 30.630 22.800 95.549 1.00 37.77 ? 523 GLN A O 1 ATOM 3666 C CB . GLN A 1 461 ? 31.675 25.089 93.146 1.00 36.07 ? 523 GLN A CB 1 ATOM 3667 C CG . GLN A 1 461 ? 30.842 24.263 92.179 1.00 37.70 ? 523 GLN A CG 1 ATOM 3668 C CD . GLN A 1 461 ? 29.383 24.215 92.578 1.00 39.67 ? 523 GLN A CD 1 ATOM 3669 O OE1 . GLN A 1 461 ? 28.696 25.251 92.654 1.00 38.25 ? 523 GLN A OE1 1 ATOM 3670 N NE2 . GLN A 1 461 ? 28.895 23.000 92.832 1.00 37.68 ? 523 GLN A NE2 1 ATOM 3671 N N . THR A 1 462 ? 30.235 25.000 95.834 1.00 41.69 ? 524 THR A N 1 ATOM 3672 C CA . THR A 1 462 ? 29.223 24.779 96.897 1.00 44.93 ? 524 THR A CA 1 ATOM 3673 C C . THR A 1 462 ? 27.857 25.362 96.562 1.00 46.08 ? 524 THR A C 1 ATOM 3674 O O . THR A 1 462 ? 26.905 25.233 97.307 1.00 46.06 ? 524 THR A O 1 ATOM 3675 C CB . THR A 1 462 ? 29.669 25.446 98.204 1.00 45.59 ? 524 THR A CB 1 ATOM 3676 O OG1 . THR A 1 462 ? 29.822 26.849 97.990 1.00 45.40 ? 524 THR A OG1 1 ATOM 3677 C CG2 . THR A 1 462 ? 30.965 24.849 98.732 1.00 46.20 ? 524 THR A CG2 1 ATOM 3678 N N . SER A 1 463 ? 27.786 26.022 95.428 1.00 42.54 ? 525 SER A N 1 ATOM 3679 C CA . SER A 1 463 ? 26.646 26.799 95.054 1.00 46.41 ? 525 SER A CA 1 ATOM 3680 C C . SER A 1 463 ? 25.568 25.936 94.376 1.00 47.00 ? 525 SER A C 1 ATOM 3681 O O . SER A 1 463 ? 24.406 25.937 94.769 1.00 45.78 ? 525 SER A O 1 ATOM 3682 C CB . SER A 1 463 ? 27.111 27.838 94.062 1.00 45.92 ? 525 SER A CB 1 ATOM 3683 O OG . SER A 1 463 ? 26.212 28.881 94.075 1.00 52.38 ? 525 SER A OG 1 ATOM 3684 N N . ILE A 1 464 ? 25.982 25.204 93.356 1.00 39.14 ? 526 ILE A N 1 ATOM 3685 C CA . ILE A 1 464 ? 25.079 24.379 92.583 1.00 41.13 ? 526 ILE A CA 1 ATOM 3686 C C . ILE A 1 464 ? 25.017 23.021 93.240 1.00 43.34 ? 526 ILE A C 1 ATOM 3687 O O . ILE A 1 464 ? 26.049 22.367 93.380 1.00 38.80 ? 526 ILE A O 1 ATOM 3688 C CB . ILE A 1 464 ? 25.589 24.219 91.146 1.00 40.29 ? 526 ILE A CB 1 ATOM 3689 C CG1 . ILE A 1 464 ? 25.645 25.580 90.439 1.00 46.33 ? 526 ILE A CG1 1 ATOM 3690 C CG2 . ILE A 1 464 ? 24.720 23.252 90.374 1.00 39.90 ? 526 ILE A CG2 1 ATOM 3691 C CD1 . ILE A 1 464 ? 24.345 26.371 90.481 1.00 47.42 ? 526 ILE A CD1 1 ATOM 3692 N N . ARG A 1 465 ? 23.819 22.606 93.664 1.00 42.69 ? 527 ARG A N 1 ATOM 3693 C CA . ARG A 1 465 ? 23.630 21.304 94.295 1.00 42.06 ? 527 ARG A CA 1 ATOM 3694 C C . ARG A 1 465 ? 22.697 20.472 93.401 1.00 43.72 ? 527 ARG A C 1 ATOM 3695 O O . ARG A 1 465 ? 21.730 20.985 92.844 1.00 44.32 ? 527 ARG A O 1 ATOM 3696 C CB . ARG A 1 465 ? 23.090 21.478 95.724 1.00 46.00 ? 527 ARG A CB 1 ATOM 3697 C CG . ARG A 1 465 ? 24.008 22.320 96.630 1.00 49.11 ? 527 ARG A CG 1 ATOM 3698 C CD . ARG A 1 465 ? 23.499 22.524 98.065 1.00 61.34 ? 527 ARG A CD 1 ATOM 3699 N NE . ARG A 1 465 ? 22.064 22.853 98.074 1.00 69.74 ? 527 ARG A NE 1 ATOM 3700 C CZ . ARG A 1 465 ? 21.208 22.612 99.075 1.00 74.71 ? 527 ARG A CZ 1 ATOM 3701 N NH1 . ARG A 1 465 ? 21.618 22.047 100.218 1.00 83.61 ? 527 ARG A NH1 1 ATOM 3702 N NH2 . ARG A 1 465 ? 19.923 22.944 98.936 1.00 80.70 ? 527 ARG A NH2 1 ATOM 3703 N N . LEU A 1 466 ? 23.047 19.207 93.200 1.00 38.24 ? 528 LEU A N 1 ATOM 3704 C CA . LEU A 1 466 ? 22.304 18.306 92.312 1.00 37.93 ? 528 LEU A CA 1 ATOM 3705 C C . LEU A 1 466 ? 21.630 17.220 93.163 1.00 36.89 ? 528 LEU A C 1 ATOM 3706 O O . LEU A 1 466 ? 22.075 16.968 94.252 1.00 39.04 ? 528 LEU A O 1 ATOM 3707 C CB . LEU A 1 466 ? 23.247 17.651 91.285 1.00 36.98 ? 528 LEU A CB 1 ATOM 3708 C CG . LEU A 1 466 ? 24.047 18.621 90.403 1.00 36.20 ? 528 LEU A CG 1 ATOM 3709 C CD1 . LEU A 1 466 ? 24.960 17.861 89.456 1.00 34.09 ? 528 LEU A CD1 1 ATOM 3710 C CD2 . LEU A 1 466 ? 23.125 19.534 89.615 1.00 37.05 ? 528 LEU A CD2 1 ATOM 3711 N N . PRO A 1 467 ? 20.547 16.602 92.668 1.00 37.60 ? 529 PRO A N 1 ATOM 3712 C CA . PRO A 1 467 ? 19.880 15.565 93.498 1.00 42.29 ? 529 PRO A CA 1 ATOM 3713 C C . PRO A 1 467 ? 20.617 14.209 93.431 1.00 40.52 ? 529 PRO A C 1 ATOM 3714 O O . PRO A 1 467 ? 20.282 13.270 94.164 1.00 41.49 ? 529 PRO A O 1 ATOM 3715 C CB . PRO A 1 467 ? 18.478 15.460 92.865 1.00 43.50 ? 529 PRO A CB 1 ATOM 3716 C CG . PRO A 1 467 ? 18.681 15.897 91.456 1.00 40.45 ? 529 PRO A CG 1 ATOM 3717 C CD . PRO A 1 467 ? 19.770 16.938 91.471 1.00 39.91 ? 529 PRO A CD 1 ATOM 3718 N N . ASP A 1 468 ? 21.598 14.119 92.538 1.00 36.77 ? 530 ASP A N 1 ATOM 3719 C CA . ASP A 1 468 ? 22.385 12.916 92.343 1.00 38.65 ? 530 ASP A CA 1 ATOM 3720 C C . ASP A 1 468 ? 23.660 13.329 91.584 1.00 41.08 ? 530 ASP A C 1 ATOM 3721 O O . ASP A 1 468 ? 23.870 14.549 91.319 1.00 38.03 ? 530 ASP A O 1 ATOM 3722 C CB . ASP A 1 468 ? 21.564 11.863 91.549 1.00 38.73 ? 530 ASP A CB 1 ATOM 3723 C CG . ASP A 1 468 ? 21.920 10.421 91.918 1.00 42.74 ? 530 ASP A CG 1 ATOM 3724 O OD1 . ASP A 1 468 ? 23.083 10.138 92.286 1.00 41.66 ? 530 ASP A OD1 1 ATOM 3725 O OD2 . ASP A 1 468 ? 21.037 9.555 91.821 1.00 48.01 ? 530 ASP A OD2 1 ATOM 3726 N N . THR A 1 469 ? 24.497 12.340 91.238 1.00 35.99 ? 531 THR A N 1 ATOM 3727 C CA . THR A 1 469 ? 25.711 12.597 90.465 1.00 35.69 ? 531 THR A CA 1 ATOM 3728 C C . THR A 1 469 ? 25.360 12.995 89.048 1.00 33.98 ? 531 THR A C 1 ATOM 3729 O O . THR A 1 469 ? 24.288 12.671 88.538 1.00 34.80 ? 531 THR A O 1 ATOM 3730 C CB . THR A 1 469 ? 26.615 11.365 90.386 1.00 35.42 ? 531 THR A CB 1 ATOM 3731 O OG1 . THR A 1 469 ? 25.930 10.314 89.705 1.00 34.36 ? 531 THR A OG1 1 ATOM 3732 C CG2 . THR A 1 469 ? 26.996 10.886 91.778 1.00 39.32 ? 531 THR A CG2 1 ATOM 3733 N N . VAL A 1 470 ? 26.277 13.693 88.394 1.00 31.99 ? 532 VAL A N 1 ATOM 3734 C CA . VAL A 1 470 ? 26.074 14.052 86.983 1.00 32.15 ? 532 VAL A CA 1 ATOM 3735 C C . VAL A 1 470 ? 25.781 12.815 86.138 1.00 31.03 ? 532 VAL A C 1 ATOM 3736 O O . VAL A 1 470 ? 24.881 12.788 85.282 1.00 30.16 ? 532 VAL A O 1 ATOM 3737 C CB . VAL A 1 470 ? 27.331 14.764 86.437 1.00 31.31 ? 532 VAL A CB 1 ATOM 3738 C CG1 . VAL A 1 470 ? 27.221 14.990 84.955 1.00 27.63 ? 532 VAL A CG1 1 ATOM 3739 C CG2 . VAL A 1 470 ? 27.527 16.087 87.164 1.00 32.25 ? 532 VAL A CG2 1 ATOM 3740 N N . ARG A 1 471 ? 26.563 11.779 86.374 1.00 30.92 ? 533 ARG A N 1 ATOM 3741 C CA . ARG A 1 471 ? 26.382 10.523 85.636 1.00 32.48 ? 533 ARG A CA 1 ATOM 3742 C C . ARG A 1 471 ? 25.011 9.881 85.870 1.00 32.98 ? 533 ARG A C 1 ATOM 3743 O O . ARG A 1 471 ? 24.359 9.443 84.921 1.00 32.83 ? 533 ARG A O 1 ATOM 3744 C CB . ARG A 1 471 ? 27.497 9.549 85.991 1.00 31.78 ? 533 ARG A CB 1 ATOM 3745 C CG . ARG A 1 471 ? 27.538 8.316 85.121 1.00 33.26 ? 533 ARG A CG 1 ATOM 3746 C CD . ARG A 1 471 ? 27.261 7.083 85.906 1.00 38.70 ? 533 ARG A CD 1 ATOM 3747 N NE . ARG A 1 471 ? 27.369 5.855 85.113 1.00 44.02 ? 533 ARG A NE 1 ATOM 3748 C CZ . ARG A 1 471 ? 28.457 5.094 85.006 1.00 38.62 ? 533 ARG A CZ 1 ATOM 3749 N NH1 . ARG A 1 471 ? 29.579 5.403 85.606 1.00 39.69 ? 533 ARG A NH1 1 ATOM 3750 N NH2 . ARG A 1 471 ? 28.409 4.007 84.252 1.00 45.24 ? 533 ARG A NH2 1 ATOM 3751 N N . ALA A 1 472 ? 24.559 9.838 87.113 1.00 32.62 ? 534 ALA A N 1 ATOM 3752 C CA . ALA A 1 472 ? 23.265 9.223 87.383 1.00 33.90 ? 534 ALA A CA 1 ATOM 3753 C C . ALA A 1 472 ? 22.151 10.020 86.713 1.00 34.14 ? 534 ALA A C 1 ATOM 3754 O O . ALA A 1 472 ? 21.198 9.449 86.187 1.00 33.43 ? 534 ALA A O 1 ATOM 3755 C CB . ALA A 1 472 ? 23.031 9.097 88.885 1.00 33.87 ? 534 ALA A CB 1 ATOM 3756 N N . ILE A 1 473 ? 22.277 11.344 86.707 1.00 31.68 ? 535 ILE A N 1 ATOM 3757 C CA . ILE A 1 473 ? 21.266 12.175 86.060 1.00 33.05 ? 535 ILE A CA 1 ATOM 3758 C C . ILE A 1 473 ? 21.283 11.964 84.552 1.00 32.31 ? 535 ILE A C 1 ATOM 3759 O O . ILE A 1 473 ? 20.247 11.697 83.926 1.00 32.74 ? 535 ILE A O 1 ATOM 3760 C CB . ILE A 1 473 ? 21.453 13.662 86.434 1.00 33.42 ? 535 ILE A CB 1 ATOM 3761 C CG1 . ILE A 1 473 ? 21.181 13.834 87.933 1.00 33.93 ? 535 ILE A CG1 1 ATOM 3762 C CG2 . ILE A 1 473 ? 20.577 14.563 85.568 1.00 33.51 ? 535 ILE A CG2 1 ATOM 3763 C CD1 . ILE A 1 473 ? 21.660 15.166 88.486 1.00 35.27 ? 535 ILE A CD1 1 ATOM 3764 N N . MET A 1 474 ? 22.469 12.077 83.964 1.00 32.44 ? 536 MET A N 1 ATOM 3765 C CA . MET A 1 474 ? 22.601 11.948 82.522 1.00 31.55 ? 536 MET A CA 1 ATOM 3766 C C . MET A 1 474 ? 22.249 10.528 82.014 1.00 30.99 ? 536 MET A C 1 ATOM 3767 O O . MET A 1 474 ? 21.689 10.368 80.933 1.00 30.88 ? 536 MET A O 1 ATOM 3768 C CB . MET A 1 474 ? 23.988 12.415 82.068 1.00 31.76 ? 536 MET A CB 1 ATOM 3769 C CG . MET A 1 474 ? 24.219 13.947 82.248 1.00 31.40 ? 536 MET A CG 1 ATOM 3770 S SD . MET A 1 474 ? 22.869 14.981 81.631 1.00 34.18 ? 536 MET A SD 1 ATOM 3771 C CE . MET A 1 474 ? 23.028 14.671 79.877 1.00 30.18 ? 536 MET A CE 1 ATOM 3772 N N . ASP A 1 475 ? 22.552 9.507 82.812 1.00 33.83 ? 537 ASP A N 1 ATOM 3773 C CA . ASP A 1 475 ? 22.115 8.148 82.495 1.00 32.88 ? 537 ASP A CA 1 ATOM 3774 C C . ASP A 1 475 ? 20.619 8.071 82.156 1.00 33.70 ? 537 ASP A C 1 ATOM 3775 O O . ASP A 1 475 ? 20.234 7.338 81.236 1.00 34.63 ? 537 ASP A O 1 ATOM 3776 C CB . ASP A 1 475 ? 22.421 7.192 83.648 1.00 34.85 ? 537 ASP A CB 1 ATOM 3777 C CG . ASP A 1 475 ? 23.831 6.634 83.598 1.00 33.72 ? 537 ASP A CG 1 ATOM 3778 O OD1 . ASP A 1 475 ? 24.580 6.949 82.652 1.00 32.64 ? 537 ASP A OD1 1 ATOM 3779 O OD2 . ASP A 1 475 ? 24.192 5.860 84.524 1.00 34.38 ? 537 ASP A OD2 1 ATOM 3780 N N . ARG A 1 476 ? 19.772 8.806 82.883 1.00 32.18 ? 538 ARG A N 1 ATOM 3781 C CA . ARG A 1 476 ? 18.337 8.801 82.578 1.00 32.43 ? 538 ARG A CA 1 ATOM 3782 C C . ARG A 1 476 ? 18.076 9.343 81.184 1.00 32.41 ? 538 ARG A C 1 ATOM 3783 O O . ARG A 1 476 ? 17.111 8.959 80.530 1.00 32.97 ? 538 ARG A O 1 ATOM 3784 C CB . ARG A 1 476 ? 17.552 9.642 83.592 1.00 33.55 ? 538 ARG A CB 1 ATOM 3785 C CG . ARG A 1 476 ? 17.735 9.224 85.039 1.00 36.66 ? 538 ARG A CG 1 ATOM 3786 C CD . ARG A 1 476 ? 17.558 7.741 85.196 1.00 38.95 ? 538 ARG A CD 1 ATOM 3787 N NE . ARG A 1 476 ? 17.615 7.315 86.595 1.00 41.93 ? 538 ARG A NE 1 ATOM 3788 C CZ . ARG A 1 476 ? 16.569 6.932 87.322 1.00 44.68 ? 538 ARG A CZ 1 ATOM 3789 N NH1 . ARG A 1 476 ? 15.327 6.942 86.817 1.00 43.80 ? 538 ARG A NH1 1 ATOM 3790 N NH2 . ARG A 1 476 ? 16.776 6.536 88.586 1.00 47.16 ? 538 ARG A NH2 1 ATOM 3791 N N . TRP A 1 477 ? 18.932 10.258 80.727 1.00 31.57 ? 539 TRP A N 1 ATOM 3792 C CA . TRP A 1 477 ? 18.692 10.945 79.458 1.00 31.64 ? 539 TRP A CA 1 ATOM 3793 C C . TRP A 1 477 ? 19.442 10.325 78.287 1.00 32.02 ? 539 TRP A C 1 ATOM 3794 O O . TRP A 1 477 ? 19.176 10.678 77.132 1.00 30.89 ? 539 TRP A O 1 ATOM 3795 C CB . TRP A 1 477 ? 19.040 12.447 79.591 1.00 31.07 ? 539 TRP A CB 1 ATOM 3796 C CG . TRP A 1 477 ? 18.111 13.139 80.595 1.00 32.12 ? 539 TRP A CG 1 ATOM 3797 C CD1 . TRP A 1 477 ? 18.421 13.477 81.869 1.00 31.31 ? 539 TRP A CD1 1 ATOM 3798 C CD2 . TRP A 1 477 ? 16.746 13.521 80.396 1.00 35.24 ? 539 TRP A CD2 1 ATOM 3799 N NE1 . TRP A 1 477 ? 17.333 14.062 82.493 1.00 34.50 ? 539 TRP A NE1 1 ATOM 3800 C CE2 . TRP A 1 477 ? 16.294 14.107 81.604 1.00 32.99 ? 539 TRP A CE2 1 ATOM 3801 C CE3 . TRP A 1 477 ? 15.858 13.453 79.307 1.00 32.44 ? 539 TRP A CE3 1 ATOM 3802 C CZ2 . TRP A 1 477 ? 15.002 14.604 81.752 1.00 33.11 ? 539 TRP A CZ2 1 ATOM 3803 C CZ3 . TRP A 1 477 ? 14.584 13.954 79.454 1.00 32.61 ? 539 TRP A CZ3 1 ATOM 3804 C CH2 . TRP A 1 477 ? 14.155 14.509 80.675 1.00 34.53 ? 539 TRP A CH2 1 ATOM 3805 N N . THR A 1 478 ? 20.352 9.400 78.597 1.00 29.18 ? 540 THR A N 1 ATOM 3806 C CA . THR A 1 478 ? 21.186 8.782 77.576 1.00 31.11 ? 540 THR A CA 1 ATOM 3807 C C . THR A 1 478 ? 21.025 7.262 77.412 1.00 31.84 ? 540 THR A C 1 ATOM 3808 O O . THR A 1 478 ? 21.249 6.754 76.314 1.00 31.04 ? 540 THR A O 1 ATOM 3809 C CB . THR A 1 478 ? 22.684 9.099 77.767 1.00 30.53 ? 540 THR A CB 1 ATOM 3810 O OG1 . THR A 1 478 ? 23.152 8.551 78.998 1.00 34.44 ? 540 THR A OG1 1 ATOM 3811 C CG2 . THR A 1 478 ? 22.961 10.573 77.759 1.00 29.06 ? 540 THR A CG2 1 ATOM 3812 N N . LEU A 1 479 ? 20.676 6.537 78.484 1.00 33.00 ? 541 LEU A N 1 ATOM 3813 C CA . LEU A 1 479 ? 20.548 5.079 78.421 1.00 32.12 ? 541 LEU A CA 1 ATOM 3814 C C . LEU A 1 479 ? 19.141 4.596 78.018 1.00 32.72 ? 541 LEU A C 1 ATOM 3815 O O . LEU A 1 479 ? 18.971 3.456 77.646 1.00 34.49 ? 541 LEU A O 1 ATOM 3816 C CB . LEU A 1 479 ? 20.911 4.423 79.766 1.00 34.20 ? 541 LEU A CB 1 ATOM 3817 C CG . LEU A 1 479 ? 22.293 4.682 80.326 1.00 35.44 ? 541 LEU A CG 1 ATOM 3818 C CD1 . LEU A 1 479 ? 22.548 3.784 81.524 1.00 40.46 ? 541 LEU A CD1 1 ATOM 3819 C CD2 . LEU A 1 479 ? 23.367 4.436 79.276 1.00 35.50 ? 541 LEU A CD2 1 ATOM 3820 N N . GLN A 1 480 ? 18.131 5.445 78.104 1.00 33.02 ? 542 GLN A N 1 ATOM 3821 C CA . GLN A 1 480 ? 16.809 5.036 77.683 1.00 32.29 ? 542 GLN A CA 1 ATOM 3822 C C . GLN A 1 480 ? 16.348 6.038 76.633 1.00 32.68 ? 542 GLN A C 1 ATOM 3823 O O . GLN A 1 480 ? 16.789 7.217 76.649 1.00 33.27 ? 542 GLN A O 1 ATOM 3824 C CB . GLN A 1 480 ? 15.869 4.991 78.876 1.00 32.42 ? 542 GLN A CB 1 ATOM 3825 C CG . GLN A 1 480 ? 15.474 6.355 79.416 1.00 34.06 ? 542 GLN A CG 1 ATOM 3826 C CD . GLN A 1 480 ? 14.774 6.263 80.789 1.00 36.59 ? 542 GLN A CD 1 ATOM 3827 O OE1 . GLN A 1 480 ? 14.074 5.282 81.097 1.00 36.80 ? 542 GLN A OE1 1 ATOM 3828 N NE2 . GLN A 1 480 ? 14.972 7.287 81.611 1.00 34.89 ? 542 GLN A NE2 1 ATOM 3829 N N . MET A 1 481 ? 15.484 5.598 75.723 1.00 31.30 ? 543 MET A N 1 ATOM 3830 C CA . MET A 1 481 ? 14.984 6.502 74.696 1.00 32.38 ? 543 MET A CA 1 ATOM 3831 C C . MET A 1 481 ? 13.882 7.391 75.265 1.00 34.29 ? 543 MET A C 1 ATOM 3832 O O . MET A 1 481 ? 13.414 7.179 76.388 1.00 33.24 ? 543 MET A O 1 ATOM 3833 C CB . MET A 1 481 ? 14.452 5.720 73.504 1.00 32.39 ? 543 MET A CB 1 ATOM 3834 C CG . MET A 1 481 ? 13.102 5.010 73.753 1.00 33.77 ? 543 MET A CG 1 ATOM 3835 S SD . MET A 1 481 ? 12.560 3.931 72.399 1.00 35.65 ? 543 MET A SD 1 ATOM 3836 C CE . MET A 1 481 ? 11.005 3.304 73.064 1.00 36.72 ? 543 MET A CE 1 ATOM 3837 N N . GLY A 1 482 ? 13.495 8.381 74.472 1.00 33.35 ? 544 GLY A N 1 ATOM 3838 C CA . GLY A 1 482 ? 12.308 9.181 74.702 1.00 32.15 ? 544 GLY A CA 1 ATOM 3839 C C . GLY A 1 482 ? 12.488 10.269 75.752 1.00 33.17 ? 544 GLY A C 1 ATOM 3840 O O . GLY A 1 482 ? 13.628 10.576 76.171 1.00 31.44 ? 544 GLY A O 1 ATOM 3841 N N . PHE A 1 483 ? 11.356 10.828 76.164 1.00 32.20 ? 545 PHE A N 1 ATOM 3842 C CA . PHE A 1 483 ? 11.307 11.888 77.136 1.00 32.17 ? 545 PHE A CA 1 ATOM 3843 C C . PHE A 1 483 ? 9.921 11.890 77.815 1.00 34.22 ? 545 PHE A C 1 ATOM 3844 O O . PHE A 1 483 ? 8.978 11.302 77.300 1.00 33.90 ? 545 PHE A O 1 ATOM 3845 C CB . PHE A 1 483 ? 11.585 13.227 76.458 1.00 30.57 ? 545 PHE A CB 1 ATOM 3846 C CG . PHE A 1 483 ? 10.601 13.560 75.374 1.00 34.80 ? 545 PHE A CG 1 ATOM 3847 C CD1 . PHE A 1 483 ? 10.799 13.101 74.066 1.00 35.31 ? 545 PHE A CD1 1 ATOM 3848 C CD2 . PHE A 1 483 ? 9.466 14.313 75.663 1.00 34.83 ? 545 PHE A CD2 1 ATOM 3849 C CE1 . PHE A 1 483 ? 9.881 13.380 73.077 1.00 32.39 ? 545 PHE A CE1 1 ATOM 3850 C CE2 . PHE A 1 483 ? 8.544 14.611 74.663 1.00 34.47 ? 545 PHE A CE2 1 ATOM 3851 C CZ . PHE A 1 483 ? 8.757 14.139 73.366 1.00 34.12 ? 545 PHE A CZ 1 ATOM 3852 N N . PRO A 1 484 ? 9.813 12.545 78.981 1.00 34.56 ? 546 PRO A N 1 ATOM 3853 C CA . PRO A 1 484 ? 8.551 12.554 79.679 1.00 36.06 ? 546 PRO A CA 1 ATOM 3854 C C . PRO A 1 484 ? 7.696 13.760 79.314 1.00 36.94 ? 546 PRO A C 1 ATOM 3855 O O . PRO A 1 484 ? 8.216 14.814 78.955 1.00 36.81 ? 546 PRO A O 1 ATOM 3856 C CB . PRO A 1 484 ? 8.985 12.684 81.133 1.00 38.10 ? 546 PRO A CB 1 ATOM 3857 C CG . PRO A 1 484 ? 10.212 13.532 81.080 1.00 36.21 ? 546 PRO A CG 1 ATOM 3858 C CD . PRO A 1 484 ? 10.896 13.106 79.801 1.00 35.48 ? 546 PRO A CD 1 ATOM 3859 N N . VAL A 1 485 ? 6.385 13.583 79.414 1.00 39.50 ? 547 VAL A N 1 ATOM 3860 C CA . VAL A 1 485 ? 5.488 14.701 79.640 1.00 40.14 ? 547 VAL A CA 1 ATOM 3861 C C . VAL A 1 485 ? 5.401 14.901 81.165 1.00 43.53 ? 547 VAL A C 1 ATOM 3862 O O . VAL A 1 485 ? 5.204 13.943 81.945 1.00 41.44 ? 547 VAL A O 1 ATOM 3863 C CB . VAL A 1 485 ? 4.103 14.491 78.983 1.00 40.68 ? 547 VAL A CB 1 ATOM 3864 C CG1 . VAL A 1 485 ? 3.493 13.135 79.356 1.00 42.60 ? 547 VAL A CG1 1 ATOM 3865 C CG2 . VAL A 1 485 ? 3.155 15.641 79.323 1.00 41.25 ? 547 VAL A CG2 1 ATOM 3866 N N . ILE A 1 486 ? 5.600 16.149 81.574 1.00 42.84 ? 548 ILE A N 1 ATOM 3867 C CA . ILE A 1 486 ? 5.398 16.565 82.949 1.00 41.95 ? 548 ILE A CA 1 ATOM 3868 C C . ILE A 1 486 ? 4.020 17.215 83.042 1.00 43.96 ? 548 ILE A C 1 ATOM 3869 O O . ILE A 1 486 ? 3.732 18.179 82.335 1.00 42.24 ? 548 ILE A O 1 ATOM 3870 C CB . ILE A 1 486 ? 6.478 17.560 83.378 1.00 40.49 ? 548 ILE A CB 1 ATOM 3871 C CG1 . ILE A 1 486 ? 7.869 16.977 83.106 1.00 39.58 ? 548 ILE A CG1 1 ATOM 3872 C CG2 . ILE A 1 486 ? 6.273 17.995 84.830 1.00 41.98 ? 548 ILE A CG2 1 ATOM 3873 C CD1 . ILE A 1 486 ? 8.201 15.713 83.889 1.00 40.43 ? 548 ILE A CD1 1 ATOM 3874 N N . THR A 1 487 ? 3.179 16.664 83.908 1.00 43.05 ? 549 THR A N 1 ATOM 3875 C CA . THR A 1 487 ? 1.813 17.108 84.046 1.00 48.67 ? 549 THR A CA 1 ATOM 3876 C C . THR A 1 487 ? 1.629 17.705 85.433 1.00 51.52 ? 549 THR A C 1 ATOM 3877 O O . THR A 1 487 ? 1.941 17.061 86.409 1.00 48.92 ? 549 THR A O 1 ATOM 3878 C CB . THR A 1 487 ? 0.828 15.946 83.889 1.00 49.61 ? 549 THR A CB 1 ATOM 3879 O OG1 . THR A 1 487 ? 1.019 15.338 82.615 1.00 50.69 ? 549 THR A OG1 1 ATOM 3880 C CG2 . THR A 1 487 ? -0.620 16.443 83.981 1.00 46.91 ? 549 THR A CG2 1 ATOM 3881 N N . VAL A 1 488 ? 1.099 18.923 85.492 1.00 54.45 ? 550 VAL A N 1 ATOM 3882 C CA . VAL A 1 488 ? 0.875 19.640 86.746 1.00 52.76 ? 550 VAL A CA 1 ATOM 3883 C C . VAL A 1 488 ? -0.638 19.843 87.000 1.00 61.64 ? 550 VAL A C 1 ATOM 3884 O O . VAL A 1 488 ? -1.360 20.331 86.119 1.00 54.48 ? 550 VAL A O 1 ATOM 3885 C CB . VAL A 1 488 ? 1.554 21.025 86.701 1.00 55.07 ? 550 VAL A CB 1 ATOM 3886 C CG1 . VAL A 1 488 ? 1.250 21.859 87.948 1.00 57.45 ? 550 VAL A CG1 1 ATOM 3887 C CG2 . VAL A 1 488 ? 3.052 20.887 86.537 1.00 54.93 ? 550 VAL A CG2 1 ATOM 3888 N N . ASP A 1 489 ? -1.110 19.473 88.195 1.00 60.15 ? 551 ASP A N 1 ATOM 3889 C CA . ASP A 1 489 ? -2.431 19.914 88.670 1.00 66.84 ? 551 ASP A CA 1 ATOM 3890 C C . ASP A 1 489 ? -2.223 21.075 89.647 1.00 64.12 ? 551 ASP A C 1 ATOM 3891 O O . ASP A 1 489 ? -1.804 20.875 90.792 1.00 67.13 ? 551 ASP A O 1 ATOM 3892 C CB . ASP A 1 489 ? -3.229 18.762 89.310 1.00 54.99 ? 551 ASP A CB 1 ATOM 3893 C CG . ASP A 1 489 ? -4.475 19.242 90.058 1.00 62.97 ? 551 ASP A CG 1 ATOM 3894 O OD1 . ASP A 1 489 ? -5.361 19.931 89.501 1.00 69.35 ? 551 ASP A OD1 1 ATOM 3895 O OD2 . ASP A 1 489 ? -4.564 18.909 91.239 1.00 71.56 ? 551 ASP A OD2 1 ATOM 3896 N N . THR A 1 490 ? -2.529 22.288 89.187 1.00 67.03 ? 552 THR A N 1 ATOM 3897 C CA . THR A 1 490 ? -2.219 23.509 89.943 1.00 60.36 ? 552 THR A CA 1 ATOM 3898 C C . THR A 1 490 ? -3.137 23.747 91.154 1.00 63.61 ? 552 THR A C 1 ATOM 3899 O O . THR A 1 490 ? -2.842 24.621 91.973 1.00 80.51 ? 552 THR A O 1 ATOM 3900 C CB . THR A 1 490 ? -2.194 24.771 89.040 1.00 64.05 ? 552 THR A CB 1 ATOM 3901 O OG1 . THR A 1 490 ? -3.488 24.994 88.449 1.00 66.60 ? 552 THR A OG1 1 ATOM 3902 C CG2 . THR A 1 490 ? -1.146 24.651 87.962 1.00 59.12 ? 552 THR A CG2 1 ATOM 3903 N N . LYS A 1 491 ? -4.186 22.931 91.273 1.00 66.05 ? 553 LYS A N 1 ATOM 3904 C CA . LYS A 1 491 ? -5.094 23.003 92.427 1.00 75.76 ? 553 LYS A CA 1 ATOM 3905 C C . LYS A 1 491 ? -4.400 22.473 93.690 1.00 82.89 ? 553 LYS A C 1 ATOM 3906 O O . LYS A 1 491 ? -4.598 22.969 94.781 1.00 81.13 ? 553 LYS A O 1 ATOM 3907 C CB . LYS A 1 491 ? -6.403 22.214 92.208 1.00 78.84 ? 553 LYS A CB 1 ATOM 3908 C CG . LYS A 1 491 ? -7.203 22.572 90.955 1.00 84.35 ? 553 LYS A CG 1 ATOM 3909 C CD . LYS A 1 491 ? -7.697 24.022 90.942 1.00 89.06 ? 553 LYS A CD 1 ATOM 3910 C CE . LYS A 1 491 ? -7.636 24.641 89.544 1.00 91.42 ? 553 LYS A CE 1 ATOM 3911 N NZ . LYS A 1 491 ? -6.313 25.255 89.160 1.00 84.78 ? 553 LYS A NZ 1 ATOM 3912 N N . THR A 1 492 ? -3.529 21.488 93.482 1.00 77.93 ? 554 THR A N 1 ATOM 3913 C CA . THR A 1 492 ? -2.864 20.777 94.569 1.00 80.72 ? 554 THR A CA 1 ATOM 3914 C C . THR A 1 492 ? -1.343 20.942 94.534 1.00 72.38 ? 554 THR A C 1 ATOM 3915 O O . THR A 1 492 ? -0.643 20.657 95.503 1.00 66.40 ? 554 THR A O 1 ATOM 3916 C CB . THR A 1 492 ? -3.162 19.272 94.464 1.00 65.81 ? 554 THR A CB 1 ATOM 3917 O OG1 . THR A 1 492 ? -2.577 18.747 93.262 1.00 66.22 ? 554 THR A OG1 1 ATOM 3918 C CG2 . THR A 1 492 ? -4.687 19.018 94.493 1.00 84.01 ? 554 THR A CG2 1 ATOM 3919 N N . GLY A 1 493 ? -0.820 21.367 93.394 1.00 66.57 ? 555 GLY A N 1 ATOM 3920 C CA . GLY A 1 493 ? 0.628 21.356 93.186 1.00 67.24 ? 555 GLY A CA 1 ATOM 3921 C C . GLY A 1 493 ? 1.220 19.972 92.939 1.00 57.14 ? 555 GLY A C 1 ATOM 3922 O O . GLY A 1 493 ? 2.443 19.791 92.995 1.00 53.18 ? 555 GLY A O 1 ATOM 3923 N N . ASN A 1 494 ? 0.367 18.990 92.659 1.00 60.58 ? 556 ASN A N 1 ATOM 3924 C CA . ASN A 1 494 ? 0.846 17.654 92.303 1.00 64.85 ? 556 ASN A CA 1 ATOM 3925 C C . ASN A 1 494 ? 1.488 17.680 90.901 1.00 60.84 ? 556 ASN A C 1 ATOM 3926 O O . ASN A 1 494 ? 1.021 18.354 89.971 1.00 55.63 ? 556 ASN A O 1 ATOM 3927 C CB . ASN A 1 494 ? -0.272 16.604 92.338 1.00 65.84 ? 556 ASN A CB 1 ATOM 3928 C CG . ASN A 1 494 ? -0.665 16.174 93.750 1.00 69.46 ? 556 ASN A CG 1 ATOM 3929 O OD1 . ASN A 1 494 ? -0.265 16.764 94.745 1.00 60.92 ? 556 ASN A OD1 1 ATOM 3930 N ND2 . ASN A 1 494 ? -1.467 15.114 93.819 1.00 76.97 ? 556 ASN A ND2 1 ATOM 3931 N N . ILE A 1 495 ? 2.583 16.954 90.758 1.00 59.44 ? 557 ILE A N 1 ATOM 3932 C CA . ILE A 1 495 ? 3.335 16.943 89.493 1.00 54.38 ? 557 ILE A CA 1 ATOM 3933 C C . ILE A 1 495 ? 3.697 15.495 89.176 1.00 58.23 ? 557 ILE A C 1 ATOM 3934 O O . ILE A 1 495 ? 4.074 14.723 90.065 1.00 55.32 ? 557 ILE A O 1 ATOM 3935 C CB . ILE A 1 495 ? 4.564 17.879 89.588 1.00 54.18 ? 557 ILE A CB 1 ATOM 3936 C CG1 . ILE A 1 495 ? 5.344 17.938 88.281 1.00 55.58 ? 557 ILE A CG1 1 ATOM 3937 C CG2 . ILE A 1 495 ? 5.487 17.467 90.730 1.00 57.74 ? 557 ILE A CG2 1 ATOM 3938 C CD1 . ILE A 1 495 ? 6.496 18.932 88.330 1.00 53.86 ? 557 ILE A CD1 1 ATOM 3939 N N . SER A 1 496 ? 3.535 15.112 87.920 1.00 51.08 ? 558 SER A N 1 ATOM 3940 C CA . SER A 1 496 ? 3.752 13.735 87.534 1.00 47.99 ? 558 SER A CA 1 ATOM 3941 C C . SER A 1 496 ? 4.590 13.666 86.265 1.00 50.00 ? 558 SER A C 1 ATOM 3942 O O . SER A 1 496 ? 4.621 14.612 85.462 1.00 48.66 ? 558 SER A O 1 ATOM 3943 C CB . SER A 1 496 ? 2.415 13.023 87.327 1.00 49.76 ? 558 SER A CB 1 ATOM 3944 O OG . SER A 1 496 ? 1.867 13.329 86.057 1.00 55.70 ? 558 SER A OG 1 ATOM 3945 N N . GLN A 1 497 ? 5.278 12.544 86.094 1.00 43.78 ? 559 GLN A N 1 ATOM 3946 C CA . GLN A 1 497 ? 5.966 12.264 84.819 1.00 42.28 ? 559 GLN A CA 1 ATOM 3947 C C . GLN A 1 497 ? 5.563 10.922 84.235 1.00 44.84 ? 559 GLN A C 1 ATOM 3948 O O . GLN A 1 497 ? 5.336 9.967 84.974 1.00 42.14 ? 559 GLN A O 1 ATOM 3949 C CB . GLN A 1 497 ? 7.484 12.280 85.001 1.00 41.05 ? 559 GLN A CB 1 ATOM 3950 C CG . GLN A 1 497 ? 8.041 11.178 85.887 1.00 42.77 ? 559 GLN A CG 1 ATOM 3951 C CD . GLN A 1 497 ? 9.565 11.085 85.818 1.00 41.00 ? 559 GLN A CD 1 ATOM 3952 O OE1 . GLN A 1 497 ? 10.129 10.886 84.756 1.00 40.06 ? 559 GLN A OE1 1 ATOM 3953 N NE2 . GLN A 1 497 ? 10.225 11.223 86.954 1.00 39.26 ? 559 GLN A NE2 1 ATOM 3954 N N . LYS A 1 498 ? 5.477 10.869 82.908 1.00 43.99 ? 560 LYS A N 1 ATOM 3955 C CA . LYS A 1 498 ? 5.404 9.609 82.182 1.00 43.56 ? 560 LYS A CA 1 ATOM 3956 C C . LYS A 1 498 ? 5.979 9.752 80.785 1.00 41.93 ? 560 LYS A C 1 ATOM 3957 O O . LYS A 1 498 ? 5.988 10.844 80.208 1.00 39.29 ? 560 LYS A O 1 ATOM 3958 C CB . LYS A 1 498 ? 3.994 9.023 82.128 1.00 47.83 ? 560 LYS A CB 1 ATOM 3959 C CG . LYS A 1 498 ? 3.017 9.744 81.226 1.00 49.80 ? 560 LYS A CG 1 ATOM 3960 C CD . LYS A 1 498 ? 1.645 9.057 81.257 1.00 55.35 ? 560 LYS A CD 1 ATOM 3961 C CE . LYS A 1 498 ? 0.550 10.064 80.914 1.00 60.36 ? 560 LYS A CE 1 ATOM 3962 N NZ . LYS A 1 498 ? -0.826 9.462 80.890 1.00 63.68 ? 560 LYS A NZ 1 ATOM 3963 N N . HIS A 1 499 ? 6.464 8.629 80.272 1.00 39.73 ? 561 HIS A N 1 ATOM 3964 C CA . HIS A 1 499 ? 7.066 8.551 78.940 1.00 40.17 ? 561 HIS A CA 1 ATOM 3965 C C . HIS A 1 499 ? 6.073 9.080 77.913 1.00 39.92 ? 561 HIS A C 1 ATOM 3966 O O . HIS A 1 499 ? 4.952 8.614 77.835 1.00 42.69 ? 561 HIS A O 1 ATOM 3967 C CB . HIS A 1 499 ? 7.401 7.092 78.690 1.00 38.93 ? 561 HIS A CB 1 ATOM 3968 C CG . HIS A 1 499 ? 8.025 6.813 77.366 1.00 37.75 ? 561 HIS A CG 1 ATOM 3969 N ND1 . HIS A 1 499 ? 8.123 5.538 76.862 1.00 39.55 ? 561 HIS A ND1 1 ATOM 3970 C CD2 . HIS A 1 499 ? 8.599 7.626 76.451 1.00 37.15 ? 561 HIS A CD2 1 ATOM 3971 C CE1 . HIS A 1 499 ? 8.715 5.573 75.684 1.00 36.42 ? 561 HIS A CE1 1 ATOM 3972 N NE2 . HIS A 1 499 ? 9.026 6.825 75.416 1.00 36.21 ? 561 HIS A NE2 1 ATOM 3973 N N . PHE A 1 500 ? 6.452 10.108 77.168 1.00 40.93 ? 562 PHE A N 1 ATOM 3974 C CA . PHE A 1 500 ? 5.521 10.712 76.214 1.00 40.45 ? 562 PHE A CA 1 ATOM 3975 C C . PHE A 1 500 ? 5.584 10.050 74.832 1.00 38.92 ? 562 PHE A C 1 ATOM 3976 O O . PHE A 1 500 ? 6.640 10.016 74.191 1.00 36.32 ? 562 PHE A O 1 ATOM 3977 C CB . PHE A 1 500 ? 5.781 12.220 76.071 1.00 38.57 ? 562 PHE A CB 1 ATOM 3978 C CG . PHE A 1 500 ? 4.846 12.888 75.115 1.00 39.53 ? 562 PHE A CG 1 ATOM 3979 C CD1 . PHE A 1 500 ? 3.505 13.041 75.441 1.00 39.47 ? 562 PHE A CD1 1 ATOM 3980 C CD2 . PHE A 1 500 ? 5.282 13.303 73.861 1.00 38.30 ? 562 PHE A CD2 1 ATOM 3981 C CE1 . PHE A 1 500 ? 2.621 13.635 74.558 1.00 39.27 ? 562 PHE A CE1 1 ATOM 3982 C CE2 . PHE A 1 500 ? 4.400 13.892 72.973 1.00 40.26 ? 562 PHE A CE2 1 ATOM 3983 C CZ . PHE A 1 500 ? 3.060 14.060 73.325 1.00 39.79 ? 562 PHE A CZ 1 ATOM 3984 N N . LEU A 1 501 ? 4.438 9.562 74.372 1.00 37.76 ? 563 LEU A N 1 ATOM 3985 C CA . LEU A 1 501 ? 4.282 9.084 73.006 1.00 39.59 ? 563 LEU A CA 1 ATOM 3986 C C . LEU A 1 501 ? 3.135 9.803 72.316 1.00 41.89 ? 563 LEU A C 1 ATOM 3987 O O . LEU A 1 501 ? 2.024 9.920 72.872 1.00 42.79 ? 563 LEU A O 1 ATOM 3988 C CB . LEU A 1 501 ? 3.991 7.588 72.976 1.00 41.61 ? 563 LEU A CB 1 ATOM 3989 C CG . LEU A 1 501 ? 5.085 6.793 73.670 1.00 47.27 ? 563 LEU A CG 1 ATOM 3990 C CD1 . LEU A 1 501 ? 4.479 5.492 74.132 1.00 54.77 ? 563 LEU A CD1 1 ATOM 3991 C CD2 . LEU A 1 501 ? 6.291 6.590 72.744 1.00 44.23 ? 563 LEU A CD2 1 ATOM 3992 N N . LEU A 1 502 ? 3.383 10.238 71.080 1.00 40.31 ? 564 LEU A N 1 ATOM 3993 C CA . LEU A 1 502 ? 2.348 10.902 70.278 1.00 40.01 ? 564 LEU A CA 1 ATOM 3994 C C . LEU A 1 502 ? 1.146 10.025 70.041 1.00 39.08 ? 564 LEU A C 1 ATOM 3995 O O . LEU A 1 502 ? 0.018 10.516 70.059 1.00 43.67 ? 564 LEU A O 1 ATOM 3996 C CB . LEU A 1 502 ? 2.889 11.392 68.925 1.00 41.87 ? 564 LEU A CB 1 ATOM 3997 C CG . LEU A 1 502 ? 3.837 12.584 69.101 1.00 39.21 ? 564 LEU A CG 1 ATOM 3998 C CD1 . LEU A 1 502 ? 4.876 12.640 67.991 1.00 36.24 ? 564 LEU A CD1 1 ATOM 3999 C CD2 . LEU A 1 502 ? 3.075 13.913 69.244 1.00 37.76 ? 564 LEU A CD2 1 ATOM 4000 N N . ASP A 1 503 ? 1.403 8.749 69.766 1.00 39.13 ? 565 ASP A N 1 ATOM 4001 C CA . ASP A 1 503 ? 0.353 7.772 69.565 1.00 45.03 ? 565 ASP A CA 1 ATOM 4002 C C . ASP A 1 503 ? 0.014 7.098 70.911 1.00 47.70 ? 565 ASP A C 1 ATOM 4003 O O . ASP A 1 503 ? 0.765 6.242 71.386 1.00 46.14 ? 565 ASP A O 1 ATOM 4004 C CB . ASP A 1 503 ? 0.801 6.718 68.533 1.00 43.88 ? 565 ASP A CB 1 ATOM 4005 C CG . ASP A 1 503 ? -0.309 5.722 68.191 1.00 47.61 ? 565 ASP A CG 1 ATOM 4006 O OD1 . ASP A 1 503 ? -1.393 5.757 68.840 1.00 51.30 ? 565 ASP A OD1 1 ATOM 4007 O OD2 . ASP A 1 503 ? -0.112 4.919 67.246 1.00 48.84 ? 565 ASP A OD2 1 ATOM 4008 N N . SER A 1 504 ? -1.119 7.477 71.513 1.00 50.51 ? 566 SER A N 1 ATOM 4009 C CA . SER A 1 504 ? -1.553 6.919 72.814 1.00 50.47 ? 566 SER A CA 1 ATOM 4010 C C . SER A 1 504 ? -1.869 5.407 72.813 1.00 51.77 ? 566 SER A C 1 ATOM 4011 O O . SER A 1 504 ? -1.980 4.793 73.883 1.00 57.07 ? 566 SER A O 1 ATOM 4012 C CB . SER A 1 504 ? -2.761 7.702 73.351 1.00 55.34 ? 566 SER A CB 1 ATOM 4013 O OG . SER A 1 504 ? -3.852 7.647 72.436 1.00 56.50 ? 566 SER A OG 1 ATOM 4014 N N . GLU A 1 505 ? -2.009 4.820 71.628 1.00 54.46 ? 567 GLU A N 1 ATOM 4015 C CA . GLU A 1 505 ? -2.276 3.380 71.487 1.00 57.49 ? 567 GLU A CA 1 ATOM 4016 C C . GLU A 1 505 ? -1.006 2.579 71.178 1.00 56.67 ? 567 GLU A C 1 ATOM 4017 O O . GLU A 1 505 ? -1.064 1.378 71.035 1.00 61.50 ? 567 GLU A O 1 ATOM 4018 C CB . GLU A 1 505 ? -3.353 3.136 70.421 1.00 59.57 ? 567 GLU A CB 1 ATOM 4019 C CG . GLU A 1 505 ? -4.656 3.900 70.675 1.00 64.94 ? 567 GLU A CG 1 ATOM 4020 C CD . GLU A 1 505 ? -5.787 3.463 69.752 1.00 76.12 ? 567 GLU A CD 1 ATOM 4021 O OE1 . GLU A 1 505 ? -5.538 3.189 68.553 1.00 78.27 ? 567 GLU A OE1 1 ATOM 4022 O OE2 . GLU A 1 505 ? -6.941 3.397 70.228 1.00 92.12 ? 567 GLU A OE2 1 ATOM 4023 N N . SER A 1 506 ? 0.137 3.256 71.098 1.00 53.16 ? 568 SER A N 1 ATOM 4024 C CA . SER A 1 506 ? 1.429 2.594 70.894 1.00 53.34 ? 568 SER A CA 1 ATOM 4025 C C . SER A 1 506 ? 1.869 1.658 72.005 1.00 53.58 ? 568 SER A C 1 ATOM 4026 O O . SER A 1 506 ? 1.818 2.004 73.184 1.00 60.83 ? 568 SER A O 1 ATOM 4027 C CB . SER A 1 506 ? 2.529 3.642 70.737 1.00 54.86 ? 568 SER A CB 1 ATOM 4028 O OG . SER A 1 506 ? 2.756 3.848 69.373 1.00 59.11 ? 568 SER A OG 1 ATOM 4029 N N . ASN A 1 507 ? 2.364 0.511 71.620 1.00 50.27 ? 569 ASN A N 1 ATOM 4030 C CA . ASN A 1 507 ? 3.038 -0.342 72.543 1.00 52.74 ? 569 ASN A CA 1 ATOM 4031 C C . ASN A 1 507 ? 4.541 -0.182 72.461 1.00 49.68 ? 569 ASN A C 1 ATOM 4032 O O . ASN A 1 507 ? 5.147 -0.429 71.451 1.00 49.19 ? 569 ASN A O 1 ATOM 4033 C CB . ASN A 1 507 ? 2.710 -1.806 72.312 1.00 58.24 ? 569 ASN A CB 1 ATOM 4034 C CG . ASN A 1 507 ? 1.248 -2.110 72.500 1.00 65.85 ? 569 ASN A CG 1 ATOM 4035 O OD1 . ASN A 1 507 ? 0.653 -1.744 73.497 1.00 68.91 ? 569 ASN A OD1 1 ATOM 4036 N ND2 . ASN A 1 507 ? 0.667 -2.776 71.526 1.00 83.56 ? 569 ASN A ND2 1 ATOM 4037 N N . VAL A 1 508 ? 5.124 0.203 73.573 1.00 47.04 ? 570 VAL A N 1 ATOM 4038 C CA . VAL A 1 508 ? 6.559 0.319 73.701 1.00 43.94 ? 570 VAL A CA 1 ATOM 4039 C C . VAL A 1 508 ? 7.031 -1.057 74.102 1.00 46.21 ? 570 VAL A C 1 ATOM 4040 O O . VAL A 1 508 ? 6.529 -1.628 75.061 1.00 47.85 ? 570 VAL A O 1 ATOM 4041 C CB . VAL A 1 508 ? 6.926 1.341 74.787 1.00 44.66 ? 570 VAL A CB 1 ATOM 4042 C CG1 . VAL A 1 508 ? 8.435 1.361 75.037 1.00 47.95 ? 570 VAL A CG1 1 ATOM 4043 C CG2 . VAL A 1 508 ? 6.452 2.725 74.380 1.00 44.78 ? 570 VAL A CG2 1 ATOM 4044 N N . THR A 1 509 ? 7.984 -1.595 73.358 1.00 42.88 ? 571 THR A N 1 ATOM 4045 C CA . THR A 1 509 ? 8.545 -2.882 73.672 1.00 46.38 ? 571 THR A CA 1 ATOM 4046 C C . THR A 1 509 ? 10.019 -2.800 74.017 1.00 42.56 ? 571 THR A C 1 ATOM 4047 O O . THR A 1 509 ? 10.546 -3.756 74.549 1.00 45.61 ? 571 THR A O 1 ATOM 4048 C CB . THR A 1 509 ? 8.377 -3.870 72.518 1.00 48.48 ? 571 THR A CB 1 ATOM 4049 O OG1 . THR A 1 509 ? 9.064 -3.366 71.368 1.00 51.03 ? 571 THR A OG1 1 ATOM 4050 C CG2 . THR A 1 509 ? 6.890 -4.088 72.200 1.00 55.80 ? 571 THR A CG2 1 ATOM 4051 N N . ARG A 1 510 ? 10.702 -1.693 73.716 1.00 41.04 ? 572 ARG A N 1 ATOM 4052 C CA . ARG A 1 510 ? 12.067 -1.523 74.215 1.00 41.41 ? 572 ARG A CA 1 ATOM 4053 C C . ARG A 1 510 ? 12.080 -1.302 75.728 1.00 41.51 ? 572 ARG A C 1 ATOM 4054 O O . ARG A 1 510 ? 11.504 -0.332 76.232 1.00 43.46 ? 572 ARG A O 1 ATOM 4055 C CB . ARG A 1 510 ? 12.802 -0.367 73.526 1.00 41.52 ? 572 ARG A CB 1 ATOM 4056 C CG . ARG A 1 510 ? 14.259 -0.237 73.973 1.00 42.68 ? 572 ARG A CG 1 ATOM 4057 C CD . ARG A 1 510 ? 14.915 1.029 73.430 1.00 40.07 ? 572 ARG A CD 1 ATOM 4058 N NE . ARG A 1 510 ? 14.906 1.053 71.968 1.00 36.98 ? 572 ARG A NE 1 ATOM 4059 C CZ . ARG A 1 510 ? 15.904 0.616 71.205 1.00 37.30 ? 572 ARG A CZ 1 ATOM 4060 N NH1 . ARG A 1 510 ? 16.998 0.133 71.748 1.00 35.10 ? 572 ARG A NH1 1 ATOM 4061 N NH2 . ARG A 1 510 ? 15.820 0.693 69.895 1.00 40.17 ? 572 ARG A NH2 1 ATOM 4062 N N . SER A 1 511 ? 12.735 -2.193 76.461 1.00 41.71 ? 573 SER A N 1 ATOM 4063 C CA . SER A 1 511 ? 12.734 -2.054 77.919 1.00 45.21 ? 573 SER A CA 1 ATOM 4064 C C . SER A 1 511 ? 13.721 -0.975 78.337 1.00 41.56 ? 573 SER A C 1 ATOM 4065 O O . SER A 1 511 ? 14.703 -0.698 77.627 1.00 43.20 ? 573 SER A O 1 ATOM 4066 C CB . SER A 1 511 ? 13.053 -3.377 78.602 1.00 47.55 ? 573 SER A CB 1 ATOM 4067 O OG . SER A 1 511 ? 14.292 -3.862 78.106 1.00 57.25 ? 573 SER A OG 1 ATOM 4068 N N . SER A 1 512 ? 13.442 -0.352 79.477 1.00 41.88 ? 574 SER A N 1 ATOM 4069 C CA . SER A 1 512 ? 14.368 0.594 80.114 1.00 43.41 ? 574 SER A CA 1 ATOM 4070 C C . SER A 1 512 ? 14.754 0.084 81.482 1.00 40.55 ? 574 SER A C 1 ATOM 4071 O O . SER A 1 512 ? 13.918 -0.401 82.227 1.00 39.44 ? 574 SER A O 1 ATOM 4072 C CB . SER A 1 512 ? 13.748 1.974 80.297 1.00 43.61 ? 574 SER A CB 1 ATOM 4073 O OG . SER A 1 512 ? 14.516 2.748 81.225 1.00 42.34 ? 574 SER A OG 1 ATOM 4074 N N . ALA A 1 513 ? 16.029 0.230 81.810 1.00 44.15 ? 575 ALA A N 1 ATOM 4075 C CA . ALA A 1 513 ? 16.538 -0.102 83.139 1.00 48.07 ? 575 ALA A CA 1 ATOM 4076 C C . ALA A 1 513 ? 15.951 0.815 84.230 1.00 45.29 ? 575 ALA A C 1 ATOM 4077 O O . ALA A 1 513 ? 16.049 0.516 85.402 1.00 47.39 ? 575 ALA A O 1 ATOM 4078 C CB . ALA A 1 513 ? 18.052 -0.027 83.139 1.00 46.69 ? 575 ALA A CB 1 ATOM 4079 N N . PHE A 1 514 ? 15.323 1.914 83.819 1.00 41.12 ? 576 PHE A N 1 ATOM 4080 C CA . PHE A 1 514 ? 14.767 2.909 84.732 1.00 43.68 ? 576 PHE A CA 1 ATOM 4081 C C . PHE A 1 514 ? 13.247 2.973 84.692 1.00 44.40 ? 576 PHE A C 1 ATOM 4082 O O . PHE A 1 514 ? 12.640 3.864 85.296 1.00 44.02 ? 576 PHE A O 1 ATOM 4083 C CB . PHE A 1 514 ? 15.323 4.271 84.355 1.00 37.96 ? 576 PHE A CB 1 ATOM 4084 C CG . PHE A 1 514 ? 16.795 4.331 84.392 1.00 39.00 ? 576 PHE A CG 1 ATOM 4085 C CD1 . PHE A 1 514 ? 17.474 4.148 85.603 1.00 41.67 ? 576 PHE A CD1 1 ATOM 4086 C CD2 . PHE A 1 514 ? 17.524 4.559 83.241 1.00 36.14 ? 576 PHE A CD2 1 ATOM 4087 C CE1 . PHE A 1 514 ? 18.860 4.208 85.656 1.00 41.31 ? 576 PHE A CE1 1 ATOM 4088 C CE2 . PHE A 1 514 ? 18.904 4.622 83.287 1.00 40.66 ? 576 PHE A CE2 1 ATOM 4089 C CZ . PHE A 1 514 ? 19.577 4.446 84.493 1.00 39.12 ? 576 PHE A CZ 1 ATOM 4090 N N . ASP A 1 515 ? 12.642 2.056 83.944 1.00 42.25 ? 577 ASP A N 1 ATOM 4091 C CA . ASP A 1 515 ? 11.189 2.008 83.803 1.00 46.55 ? 577 ASP A CA 1 ATOM 4092 C C . ASP A 1 515 ? 10.603 3.303 83.239 1.00 43.37 ? 577 ASP A C 1 ATOM 4093 O O . ASP A 1 515 ? 9.519 3.710 83.615 1.00 40.13 ? 577 ASP A O 1 ATOM 4094 C CB . ASP A 1 515 ? 10.543 1.674 85.162 1.00 48.20 ? 577 ASP A CB 1 ATOM 4095 C CG . ASP A 1 515 ? 10.975 0.310 85.692 1.00 55.18 ? 577 ASP A CG 1 ATOM 4096 O OD1 . ASP A 1 515 ? 10.827 -0.690 84.948 1.00 55.29 ? 577 ASP A OD1 1 ATOM 4097 O OD2 . ASP A 1 515 ? 11.454 0.239 86.843 1.00 57.81 ? 577 ASP A OD2 1 ATOM 4098 N N . TYR A 1 516 ? 11.333 3.950 82.343 1.00 40.80 ? 578 TYR A N 1 ATOM 4099 C CA . TYR A 1 516 ? 10.920 5.222 81.754 1.00 41.41 ? 578 TYR A CA 1 ATOM 4100 C C . TYR A 1 516 ? 10.520 6.260 82.802 1.00 43.01 ? 578 TYR A C 1 ATOM 4101 O O . TYR A 1 516 ? 9.476 6.902 82.717 1.00 41.10 ? 578 TYR A O 1 ATOM 4102 C CB . TYR A 1 516 ? 9.879 5.018 80.675 1.00 40.02 ? 578 TYR A CB 1 ATOM 4103 C CG . TYR A 1 516 ? 10.429 4.220 79.509 1.00 39.06 ? 578 TYR A CG 1 ATOM 4104 C CD1 . TYR A 1 516 ? 11.234 4.830 78.572 1.00 35.41 ? 578 TYR A CD1 1 ATOM 4105 C CD2 . TYR A 1 516 ? 10.137 2.862 79.353 1.00 40.06 ? 578 TYR A CD2 1 ATOM 4106 C CE1 . TYR A 1 516 ? 11.755 4.130 77.513 1.00 35.35 ? 578 TYR A CE1 1 ATOM 4107 C CE2 . TYR A 1 516 ? 10.633 2.147 78.268 1.00 38.02 ? 578 TYR A CE2 1 ATOM 4108 C CZ . TYR A 1 516 ? 11.445 2.784 77.350 1.00 38.03 ? 578 TYR A CZ 1 ATOM 4109 O OH . TYR A 1 516 ? 11.984 2.114 76.260 1.00 36.24 ? 578 TYR A OH 1 ATOM 4110 N N . LEU A 1 517 ? 11.403 6.392 83.787 1.00 38.89 ? 579 LEU A N 1 ATOM 4111 C CA . LEU A 1 517 ? 11.409 7.487 84.714 1.00 39.71 ? 579 LEU A CA 1 ATOM 4112 C C . LEU A 1 517 ? 12.713 8.259 84.559 1.00 39.01 ? 579 LEU A C 1 ATOM 4113 O O . LEU A 1 517 ? 13.789 7.679 84.371 1.00 37.56 ? 579 LEU A O 1 ATOM 4114 C CB . LEU A 1 517 ? 11.299 6.974 86.140 1.00 41.82 ? 579 LEU A CB 1 ATOM 4115 C CG . LEU A 1 517 ? 9.949 6.357 86.446 1.00 44.16 ? 579 LEU A CG 1 ATOM 4116 C CD1 . LEU A 1 517 ? 10.053 5.625 87.769 1.00 48.18 ? 579 LEU A CD1 1 ATOM 4117 C CD2 . LEU A 1 517 ? 8.839 7.404 86.454 1.00 44.24 ? 579 LEU A CD2 1 ATOM 4118 N N . TRP A 1 518 ? 12.595 9.577 84.654 1.00 37.71 ? 580 TRP A N 1 ATOM 4119 C CA . TRP A 1 518 ? 13.729 10.471 84.541 1.00 36.84 ? 580 TRP A CA 1 ATOM 4120 C C . TRP A 1 518 ? 13.929 11.272 85.829 1.00 38.36 ? 580 TRP A C 1 ATOM 4121 O O . TRP A 1 518 ? 13.057 11.336 86.698 1.00 36.41 ? 580 TRP A O 1 ATOM 4122 C CB . TRP A 1 518 ? 13.514 11.411 83.366 1.00 36.32 ? 580 TRP A CB 1 ATOM 4123 C CG . TRP A 1 518 ? 13.567 10.759 81.959 1.00 36.79 ? 580 TRP A CG 1 ATOM 4124 C CD1 . TRP A 1 518 ? 14.654 10.729 81.116 1.00 35.98 ? 580 TRP A CD1 1 ATOM 4125 C CD2 . TRP A 1 518 ? 12.496 10.107 81.242 1.00 36.07 ? 580 TRP A CD2 1 ATOM 4126 N NE1 . TRP A 1 518 ? 14.337 10.086 79.952 1.00 34.34 ? 580 TRP A NE1 1 ATOM 4127 C CE2 . TRP A 1 518 ? 13.030 9.685 79.999 1.00 34.60 ? 580 TRP A CE2 1 ATOM 4128 C CE3 . TRP A 1 518 ? 11.147 9.815 81.539 1.00 36.83 ? 580 TRP A CE3 1 ATOM 4129 C CZ2 . TRP A 1 518 ? 12.276 9.000 79.055 1.00 34.87 ? 580 TRP A CZ2 1 ATOM 4130 C CZ3 . TRP A 1 518 ? 10.391 9.146 80.588 1.00 39.13 ? 580 TRP A CZ3 1 ATOM 4131 C CH2 . TRP A 1 518 ? 10.959 8.752 79.357 1.00 36.25 ? 580 TRP A CH2 1 ATOM 4132 N N . ILE A 1 519 ? 15.109 11.867 85.923 1.00 39.38 ? 581 ILE A N 1 ATOM 4133 C CA . ILE A 1 519 ? 15.428 12.900 86.894 1.00 36.96 ? 581 ILE A CA 1 ATOM 4134 C C . ILE A 1 519 ? 15.461 14.221 86.150 1.00 37.93 ? 581 ILE A C 1 ATOM 4135 O O . ILE A 1 519 ? 16.301 14.432 85.240 1.00 35.85 ? 581 ILE A O 1 ATOM 4136 C CB . ILE A 1 519 ? 16.766 12.621 87.579 1.00 37.57 ? 581 ILE A CB 1 ATOM 4137 C CG1 . ILE A 1 519 ? 16.704 11.266 88.286 1.00 37.08 ? 581 ILE A CG1 1 ATOM 4138 C CG2 . ILE A 1 519 ? 17.108 13.714 88.593 1.00 35.86 ? 581 ILE A CG2 1 ATOM 4139 C CD1 . ILE A 1 519 ? 18.050 10.722 88.700 1.00 36.17 ? 581 ILE A CD1 1 ATOM 4140 N N . VAL A 1 520 ? 14.539 15.105 86.521 1.00 37.58 ? 582 VAL A N 1 ATOM 4141 C CA . VAL A 1 520 ? 14.151 16.192 85.638 1.00 38.08 ? 582 VAL A CA 1 ATOM 4142 C C . VAL A 1 520 ? 14.317 17.572 86.269 1.00 36.08 ? 582 VAL A C 1 ATOM 4143 O O . VAL A 1 520 ? 13.699 17.858 87.305 1.00 39.87 ? 582 VAL A O 1 ATOM 4144 C CB . VAL A 1 520 ? 12.685 16.054 85.190 1.00 37.76 ? 582 VAL A CB 1 ATOM 4145 C CG1 . VAL A 1 520 ? 12.419 16.994 84.029 1.00 39.52 ? 582 VAL A CG1 1 ATOM 4146 C CG2 . VAL A 1 520 ? 12.336 14.604 84.828 1.00 38.84 ? 582 VAL A CG2 1 ATOM 4147 N N . PRO A 1 521 ? 15.152 18.432 85.645 1.00 35.80 ? 583 PRO A N 1 ATOM 4148 C CA . PRO A 1 521 ? 15.326 19.799 86.110 1.00 35.66 ? 583 PRO A CA 1 ATOM 4149 C C . PRO A 1 521 ? 14.165 20.647 85.631 1.00 39.68 ? 583 PRO A C 1 ATOM 4150 O O . PRO A 1 521 ? 13.849 20.661 84.437 1.00 40.61 ? 583 PRO A O 1 ATOM 4151 C CB . PRO A 1 521 ? 16.641 20.237 85.469 1.00 35.78 ? 583 PRO A CB 1 ATOM 4152 C CG . PRO A 1 521 ? 16.756 19.409 84.210 1.00 35.46 ? 583 PRO A CG 1 ATOM 4153 C CD . PRO A 1 521 ? 15.939 18.152 84.412 1.00 35.34 ? 583 PRO A CD 1 ATOM 4154 N N . ILE A 1 522 ? 13.503 21.305 86.581 1.00 39.41 ? 584 ILE A N 1 ATOM 4155 C CA . ILE A 1 522 ? 12.280 22.028 86.321 1.00 40.67 ? 584 ILE A CA 1 ATOM 4156 C C . ILE A 1 522 ? 12.393 23.448 86.855 1.00 44.14 ? 584 ILE A C 1 ATOM 4157 O O . ILE A 1 522 ? 12.268 23.679 88.070 1.00 41.42 ? 584 ILE A O 1 ATOM 4158 C CB . ILE A 1 522 ? 11.061 21.289 86.923 1.00 43.89 ? 584 ILE A CB 1 ATOM 4159 C CG1 . ILE A 1 522 ? 10.940 19.883 86.307 1.00 44.34 ? 584 ILE A CG1 1 ATOM 4160 C CG2 . ILE A 1 522 ? 9.782 22.082 86.690 1.00 46.03 ? 584 ILE A CG2 1 ATOM 4161 C CD1 . ILE A 1 522 ? 9.889 19.010 86.947 1.00 44.96 ? 584 ILE A CD1 1 ATOM 4162 N N . SER A 1 523 ? 12.641 24.377 85.927 1.00 41.53 ? 585 SER A N 1 ATOM 4163 C CA . SER A 1 523 ? 12.508 25.814 86.170 1.00 42.48 ? 585 SER A CA 1 ATOM 4164 C C . SER A 1 523 ? 11.028 26.177 86.101 1.00 44.73 ? 585 SER A C 1 ATOM 4165 O O . SER A 1 523 ? 10.239 25.469 85.472 1.00 42.14 ? 585 SER A O 1 ATOM 4166 C CB . SER A 1 523 ? 13.306 26.612 85.116 1.00 41.85 ? 585 SER A CB 1 ATOM 4167 O OG . SER A 1 523 ? 12.865 26.321 83.784 1.00 42.34 ? 585 SER A OG 1 ATOM 4168 N N . SER A 1 524 ? 10.630 27.267 86.735 1.00 47.22 ? 586 SER A N 1 ATOM 4169 C CA . SER A 1 524 ? 9.257 27.711 86.581 1.00 46.56 ? 586 SER A CA 1 ATOM 4170 C C . SER A 1 524 ? 9.124 29.191 86.862 1.00 46.17 ? 586 SER A C 1 ATOM 4171 O O . SER A 1 524 ? 9.958 29.791 87.538 1.00 49.60 ? 586 SER A O 1 ATOM 4172 C CB . SER A 1 524 ? 8.330 26.932 87.508 1.00 49.01 ? 586 SER A CB 1 ATOM 4173 O OG . SER A 1 524 ? 8.641 27.232 88.859 1.00 48.05 ? 586 SER A OG 1 ATOM 4174 N N . ILE A 1 525 ? 8.045 29.749 86.343 1.00 47.70 ? 587 ILE A N 1 ATOM 4175 C CA . ILE A 1 525 ? 7.763 31.160 86.443 1.00 54.54 ? 587 ILE A CA 1 ATOM 4176 C C . ILE A 1 525 ? 6.327 31.244 86.962 1.00 53.07 ? 587 ILE A C 1 ATOM 4177 O O . ILE A 1 525 ? 5.463 30.484 86.533 1.00 51.10 ? 587 ILE A O 1 ATOM 4178 C CB . ILE A 1 525 ? 7.993 31.824 85.062 1.00 54.49 ? 587 ILE A CB 1 ATOM 4179 C CG1 . ILE A 1 525 ? 8.090 33.330 85.148 1.00 62.38 ? 587 ILE A CG1 1 ATOM 4180 C CG2 . ILE A 1 525 ? 6.914 31.454 84.039 1.00 53.53 ? 587 ILE A CG2 1 ATOM 4181 C CD1 . ILE A 1 525 ? 8.773 33.948 83.933 1.00 74.87 ? 587 ILE A CD1 1 ATOM 4182 N N . LYS A 1 526 ? 6.091 32.119 87.937 1.00 56.68 ? 588 LYS A N 1 ATOM 4183 C CA . LYS A 1 526 ? 4.747 32.290 88.483 1.00 65.26 ? 588 LYS A CA 1 ATOM 4184 C C . LYS A 1 526 ? 4.359 33.752 88.379 1.00 61.08 ? 588 LYS A C 1 ATOM 4185 O O . LYS A 1 526 ? 5.062 34.627 88.888 1.00 66.79 ? 588 LYS A O 1 ATOM 4186 C CB . LYS A 1 526 ? 4.667 31.811 89.928 1.00 63.87 ? 588 LYS A CB 1 ATOM 4187 C CG . LYS A 1 526 ? 3.255 31.871 90.510 1.00 68.28 ? 588 LYS A CG 1 ATOM 4188 C CD . LYS A 1 526 ? 3.165 31.279 91.909 1.00 66.74 ? 588 LYS A CD 1 ATOM 4189 C CE . LYS A 1 526 ? 2.738 29.805 91.861 1.00 74.50 ? 588 LYS A CE 1 ATOM 4190 N NZ . LYS A 1 526 ? 3.109 29.077 93.120 1.00 72.49 ? 588 LYS A NZ 1 ATOM 4191 N N . ASN A 1 527 ? 3.241 34.006 87.708 1.00 60.04 ? 589 ASN A N 1 ATOM 4192 C CA . ASN A 1 527 ? 2.807 35.365 87.374 1.00 66.03 ? 589 ASN A CA 1 ATOM 4193 C C . ASN A 1 527 ? 3.937 36.226 86.824 1.00 68.63 ? 589 ASN A C 1 ATOM 4194 O O . ASN A 1 527 ? 4.060 37.395 87.173 1.00 72.28 ? 589 ASN A O 1 ATOM 4195 C CB . ASN A 1 527 ? 2.144 36.041 88.589 1.00 69.80 ? 589 ASN A CB 1 ATOM 4196 C CG . ASN A 1 527 ? 1.042 35.194 89.181 1.00 72.47 ? 589 ASN A CG 1 ATOM 4197 O OD1 . ASN A 1 527 ? 0.204 34.650 88.458 1.00 79.85 ? 589 ASN A OD1 1 ATOM 4198 N ND2 . ASN A 1 527 ? 1.053 35.056 90.498 1.00 78.69 ? 589 ASN A ND2 1 ATOM 4199 N N . GLY A 1 528 ? 4.779 35.620 85.995 1.00 58.81 ? 590 GLY A N 1 ATOM 4200 C CA . GLY A 1 528 ? 5.862 36.321 85.325 1.00 60.16 ? 590 GLY A CA 1 ATOM 4201 C C . GLY A 1 528 ? 7.104 36.518 86.164 1.00 63.67 ? 590 GLY A C 1 ATOM 4202 O O . GLY A 1 528 ? 8.019 37.203 85.739 1.00 68.13 ? 590 GLY A O 1 ATOM 4203 N N . VAL A 1 529 ? 7.139 35.910 87.347 1.00 58.91 ? 591 VAL A N 1 ATOM 4204 C CA . VAL A 1 529 ? 8.281 35.997 88.246 1.00 57.62 ? 591 VAL A CA 1 ATOM 4205 C C . VAL A 1 529 ? 8.914 34.616 88.378 1.00 55.65 ? 591 VAL A C 1 ATOM 4206 O O . VAL A 1 529 ? 8.232 33.635 88.643 1.00 58.23 ? 591 VAL A O 1 ATOM 4207 C CB . VAL A 1 529 ? 7.843 36.523 89.616 1.00 60.48 ? 591 VAL A CB 1 ATOM 4208 C CG1 . VAL A 1 529 ? 8.942 36.359 90.661 1.00 59.11 ? 591 VAL A CG1 1 ATOM 4209 C CG2 . VAL A 1 529 ? 7.430 37.981 89.496 1.00 62.50 ? 591 VAL A CG2 1 ATOM 4210 N N . MET A 1 530 ? 10.212 34.531 88.131 1.00 54.73 ? 592 MET A N 1 ATOM 4211 C CA . MET A 1 530 ? 10.960 33.286 88.310 1.00 59.08 ? 592 MET A CA 1 ATOM 4212 C C . MET A 1 530 ? 10.778 32.717 89.704 1.00 58.75 ? 592 MET A C 1 ATOM 4213 O O . MET A 1 530 ? 10.806 33.443 90.680 1.00 59.58 ? 592 MET A O 1 ATOM 4214 C CB . MET A 1 530 ? 12.454 33.532 88.102 1.00 64.79 ? 592 MET A CB 1 ATOM 4215 C CG . MET A 1 530 ? 12.864 33.723 86.653 1.00 61.08 ? 592 MET A CG 1 ATOM 4216 S SD . MET A 1 530 ? 12.493 32.299 85.587 1.00 63.25 ? 592 MET A SD 1 ATOM 4217 C CE . MET A 1 530 ? 13.605 31.038 86.220 1.00 57.38 ? 592 MET A CE 1 ATOM 4218 N N . GLN A 1 531 ? 10.614 31.409 89.801 1.00 52.77 ? 593 GLN A N 1 ATOM 4219 C CA . GLN A 1 531 ? 10.544 30.783 91.121 1.00 55.06 ? 593 GLN A CA 1 ATOM 4220 C C . GLN A 1 531 ? 11.847 30.061 91.316 1.00 55.41 ? 593 GLN A C 1 ATOM 4221 O O . GLN A 1 531 ? 12.643 29.962 90.390 1.00 54.73 ? 593 GLN A O 1 ATOM 4222 C CB . GLN A 1 531 ? 9.422 29.748 91.117 1.00 58.24 ? 593 GLN A CB 1 ATOM 4223 C CG . GLN A 1 531 ? 8.084 30.391 90.812 1.00 57.92 ? 593 GLN A CG 1 ATOM 4224 C CD . GLN A 1 531 ? 6.934 29.552 91.287 1.00 57.10 ? 593 GLN A CD 1 ATOM 4225 O OE1 . GLN A 1 531 ? 6.254 29.922 92.209 1.00 58.99 ? 593 GLN A OE1 1 ATOM 4226 N NE2 . GLN A 1 531 ? 6.708 28.413 90.645 1.00 57.15 ? 593 GLN A NE2 1 ATOM 4227 N N . ASP A 1 532 ? 12.038 29.537 92.516 1.00 53.41 ? 594 ASP A N 1 ATOM 4228 C CA . ASP A 1 532 ? 13.142 28.637 92.806 1.00 54.03 ? 594 ASP A CA 1 ATOM 4229 C C . ASP A 1 532 ? 13.107 27.410 91.915 1.00 49.58 ? 594 ASP A C 1 ATOM 4230 O O . ASP A 1 532 ? 12.045 26.898 91.582 1.00 48.86 ? 594 ASP A O 1 ATOM 4231 C CB . ASP A 1 532 ? 13.062 28.128 94.240 1.00 53.50 ? 594 ASP A CB 1 ATOM 4232 C CG . ASP A 1 532 ? 13.364 29.187 95.255 1.00 60.60 ? 594 ASP A CG 1 ATOM 4233 O OD1 . ASP A 1 532 ? 13.713 30.329 94.889 1.00 67.93 ? 594 ASP A OD1 1 ATOM 4234 O OD2 . ASP A 1 532 ? 13.258 28.860 96.445 1.00 66.10 ? 594 ASP A OD2 1 ATOM 4235 N N . HIS A 1 533 ? 14.290 26.920 91.581 1.00 50.16 ? 595 HIS A N 1 ATOM 4236 C CA . HIS A 1 533 ? 14.436 25.711 90.766 1.00 48.15 ? 595 HIS A CA 1 ATOM 4237 C C . HIS A 1 533 ? 13.993 24.450 91.525 1.00 50.14 ? 595 HIS A C 1 ATOM 4238 O O . HIS A 1 533 ? 14.056 24.403 92.764 1.00 48.69 ? 595 HIS A O 1 ATOM 4239 C CB . HIS A 1 533 ? 15.894 25.572 90.301 1.00 45.41 ? 595 HIS A CB 1 ATOM 4240 C CG . HIS A 1 533 ? 16.088 24.520 89.257 1.00 45.06 ? 595 HIS A CG 1 ATOM 4241 N ND1 . HIS A 1 533 ? 16.611 23.278 89.542 1.00 44.32 ? 595 HIS A ND1 1 ATOM 4242 C CD2 . HIS A 1 533 ? 15.809 24.516 87.933 1.00 46.15 ? 595 HIS A CD2 1 ATOM 4243 C CE1 . HIS A 1 533 ? 16.666 22.561 88.435 1.00 41.36 ? 595 HIS A CE1 1 ATOM 4244 N NE2 . HIS A 1 533 ? 16.170 23.282 87.447 1.00 41.56 ? 595 HIS A NE2 1 ATOM 4245 N N . TYR A 1 534 ? 13.543 23.439 90.783 1.00 46.94 ? 596 TYR A N 1 ATOM 4246 C CA . TYR A 1 534 ? 13.038 22.192 91.374 1.00 45.84 ? 596 TYR A CA 1 ATOM 4247 C C . TYR A 1 534 ? 13.539 21.031 90.561 1.00 45.43 ? 596 TYR A C 1 ATOM 4248 O O . TYR A 1 534 ? 13.621 21.117 89.318 1.00 46.47 ? 596 TYR A O 1 ATOM 4249 C CB . TYR A 1 534 ? 11.502 22.166 91.381 1.00 47.69 ? 596 TYR A CB 1 ATOM 4250 C CG . TYR A 1 534 ? 10.891 20.893 91.917 1.00 48.47 ? 596 TYR A CG 1 ATOM 4251 C CD1 . TYR A 1 534 ? 10.798 20.665 93.298 1.00 49.98 ? 596 TYR A CD1 1 ATOM 4252 C CD2 . TYR A 1 534 ? 10.413 19.914 91.057 1.00 44.63 ? 596 TYR A CD2 1 ATOM 4253 C CE1 . TYR A 1 534 ? 10.240 19.491 93.799 1.00 48.80 ? 596 TYR A CE1 1 ATOM 4254 C CE2 . TYR A 1 534 ? 9.851 18.734 91.548 1.00 48.81 ? 596 TYR A CE2 1 ATOM 4255 C CZ . TYR A 1 534 ? 9.771 18.533 92.914 1.00 47.87 ? 596 TYR A CZ 1 ATOM 4256 O OH . TYR A 1 534 ? 9.226 17.382 93.405 1.00 48.96 ? 596 TYR A OH 1 ATOM 4257 N N . TRP A 1 535 ? 13.847 19.930 91.240 1.00 43.84 ? 597 TRP A N 1 ATOM 4258 C CA . TRP A 1 535 ? 14.148 18.685 90.545 1.00 43.51 ? 597 TRP A CA 1 ATOM 4259 C C . TRP A 1 535 ? 13.092 17.628 90.833 1.00 42.49 ? 597 TRP A C 1 ATOM 4260 O O . TRP A 1 535 ? 12.847 17.287 91.985 1.00 43.65 ? 597 TRP A O 1 ATOM 4261 C CB . TRP A 1 535 ? 15.483 18.129 91.017 1.00 42.51 ? 597 TRP A CB 1 ATOM 4262 C CG . TRP A 1 535 ? 16.710 18.821 90.493 1.00 42.41 ? 597 TRP A CG 1 ATOM 4263 C CD1 . TRP A 1 535 ? 17.397 19.867 91.062 1.00 43.96 ? 597 TRP A CD1 1 ATOM 4264 C CD2 . TRP A 1 535 ? 17.420 18.469 89.305 1.00 37.79 ? 597 TRP A CD2 1 ATOM 4265 N NE1 . TRP A 1 535 ? 18.501 20.190 90.269 1.00 43.20 ? 597 TRP A NE1 1 ATOM 4266 C CE2 . TRP A 1 535 ? 18.526 19.340 89.193 1.00 37.82 ? 597 TRP A CE2 1 ATOM 4267 C CE3 . TRP A 1 535 ? 17.233 17.482 88.337 1.00 37.77 ? 597 TRP A CE3 1 ATOM 4268 C CZ2 . TRP A 1 535 ? 19.431 19.256 88.148 1.00 36.63 ? 597 TRP A CZ2 1 ATOM 4269 C CZ3 . TRP A 1 535 ? 18.123 17.393 87.290 1.00 37.76 ? 597 TRP A CZ3 1 ATOM 4270 C CH2 . TRP A 1 535 ? 19.218 18.280 87.199 1.00 37.63 ? 597 TRP A CH2 1 ATOM 4271 N N . LEU A 1 536 ? 12.489 17.095 89.785 1.00 41.82 ? 598 LEU A N 1 ATOM 4272 C CA . LEU A 1 536 ? 11.661 15.910 89.924 1.00 44.77 ? 598 LEU A CA 1 ATOM 4273 C C . LEU A 1 536 ? 12.574 14.659 89.987 1.00 42.93 ? 598 LEU A C 1 ATOM 4274 O O . LEU A 1 536 ? 13.331 14.386 89.062 1.00 38.41 ? 598 LEU A O 1 ATOM 4275 C CB . LEU A 1 536 ? 10.671 15.820 88.762 1.00 42.78 ? 598 LEU A CB 1 ATOM 4276 C CG . LEU A 1 536 ? 9.643 14.682 88.822 1.00 44.85 ? 598 LEU A CG 1 ATOM 4277 C CD1 . LEU A 1 536 ? 8.717 14.839 90.018 1.00 46.91 ? 598 LEU A CD1 1 ATOM 4278 C CD2 . LEU A 1 536 ? 8.836 14.623 87.552 1.00 41.13 ? 598 LEU A CD2 1 ATOM 4279 N N . ARG A 1 537 ? 12.509 13.919 91.095 1.00 42.68 ? 599 ARG A N 1 ATOM 4280 C CA . ARG A 1 537 ? 13.321 12.704 91.242 1.00 44.79 ? 599 ARG A CA 1 ATOM 4281 C C . ARG A 1 537 ? 12.728 11.551 90.445 1.00 45.64 ? 599 ARG A C 1 ATOM 4282 O O . ARG A 1 537 ? 11.750 11.742 89.709 1.00 42.41 ? 599 ARG A O 1 ATOM 4283 C CB . ARG A 1 537 ? 13.518 12.353 92.724 1.00 49.53 ? 599 ARG A CB 1 ATOM 4284 C CG . ARG A 1 537 ? 14.420 13.369 93.409 1.00 53.96 ? 599 ARG A CG 1 ATOM 4285 C CD . ARG A 1 537 ? 14.226 13.482 94.922 1.00 57.58 ? 599 ARG A CD 1 ATOM 4286 N NE . ARG A 1 537 ? 14.897 14.697 95.380 1.00 68.45 ? 599 ARG A NE 1 ATOM 4287 C CZ . ARG A 1 537 ? 16.202 14.784 95.643 1.00 59.16 ? 599 ARG A CZ 1 ATOM 4288 N NH1 . ARG A 1 537 ? 17.000 13.719 95.538 1.00 63.24 ? 599 ARG A NH1 1 ATOM 4289 N NH2 . ARG A 1 537 ? 16.719 15.943 96.028 1.00 67.34 ? 599 ARG A NH2 1 ATOM 4290 N N . ASP A 1 538 ? 13.324 10.361 90.543 1.00 44.36 ? 600 ASP A N 1 ATOM 4291 C CA . ASP A 1 538 ? 12.821 9.244 89.756 1.00 47.30 ? 600 ASP A CA 1 ATOM 4292 C C . ASP A 1 538 ? 11.587 8.651 90.408 1.00 50.49 ? 600 ASP A C 1 ATOM 4293 O O . ASP A 1 538 ? 11.620 7.539 90.926 1.00 52.58 ? 600 ASP A O 1 ATOM 4294 C CB . ASP A 1 538 ? 13.898 8.197 89.450 1.00 48.63 ? 600 ASP A CB 1 ATOM 4295 C CG . ASP A 1 538 ? 14.516 7.604 90.675 1.00 51.69 ? 600 ASP A CG 1 ATOM 4296 O OD1 . ASP A 1 538 ? 14.579 8.289 91.728 1.00 59.56 ? 600 ASP A OD1 1 ATOM 4297 O OD2 . ASP A 1 538 ? 14.942 6.430 90.582 1.00 53.69 ? 600 ASP A OD2 1 ATOM 4298 N N . VAL A 1 539 ? 10.513 9.439 90.397 1.00 49.17 ? 601 VAL A N 1 ATOM 4299 C CA . VAL A 1 539 ? 9.209 9.042 90.923 1.00 48.65 ? 601 VAL A CA 1 ATOM 4300 C C . VAL A 1 539 ? 8.177 9.469 89.888 1.00 48.85 ? 601 VAL A C 1 ATOM 4301 O O . VAL A 1 539 ? 8.370 10.469 89.217 1.00 47.61 ? 601 VAL A O 1 ATOM 4302 C CB . VAL A 1 539 ? 8.883 9.693 92.293 1.00 52.02 ? 601 VAL A CB 1 ATOM 4303 C CG1 . VAL A 1 539 ? 9.672 9.028 93.413 1.00 51.61 ? 601 VAL A CG1 1 ATOM 4304 C CG2 . VAL A 1 539 ? 9.138 11.198 92.281 1.00 47.95 ? 601 VAL A CG2 1 ATOM 4305 N N . SER A 1 540 ? 7.114 8.676 89.743 1.00 51.07 ? 602 SER A N 1 ATOM 4306 C CA . SER A 1 540 ? 5.944 9.005 88.927 1.00 50.70 ? 602 SER A CA 1 ATOM 4307 C C . SER A 1 540 ? 5.255 10.278 89.328 1.00 47.66 ? 602 SER A C 1 ATOM 4308 O O . SER A 1 540 ? 4.785 11.028 88.481 1.00 51.24 ? 602 SER A O 1 ATOM 4309 C CB . SER A 1 540 ? 4.888 7.917 89.106 1.00 54.27 ? 602 SER A CB 1 ATOM 4310 O OG . SER A 1 540 ? 5.170 6.864 88.242 1.00 59.09 ? 602 SER A OG 1 ATOM 4311 N N . GLN A 1 541 ? 5.134 10.456 90.639 1.00 50.88 ? 603 GLN A N 1 ATOM 4312 C CA . GLN A 1 541 ? 4.392 11.557 91.227 1.00 53.83 ? 603 GLN A CA 1 ATOM 4313 C C . GLN A 1 541 ? 5.142 12.180 92.372 1.00 52.21 ? 603 GLN A C 1 ATOM 4314 O O . GLN A 1 541 ? 5.789 11.486 93.151 1.00 53.54 ? 603 GLN A O 1 ATOM 4315 C CB . GLN A 1 541 ? 3.064 11.072 91.806 1.00 60.08 ? 603 GLN A CB 1 ATOM 4316 C CG . GLN A 1 541 ? 1.863 11.281 90.903 1.00 69.61 ? 603 GLN A CG 1 ATOM 4317 C CD . GLN A 1 541 ? 1.402 9.986 90.285 1.00 76.51 ? 603 GLN A CD 1 ATOM 4318 O OE1 . GLN A 1 541 ? 1.509 8.925 90.907 1.00 86.32 ? 603 GLN A OE1 1 ATOM 4319 N NE2 . GLN A 1 541 ? 0.875 10.060 89.056 1.00 75.16 ? 603 GLN A NE2 1 ATOM 4320 N N . ALA A 1 542 ? 4.995 13.492 92.491 1.00 50.93 ? 604 ALA A N 1 ATOM 4321 C CA . ALA A 1 542 ? 5.473 14.237 93.642 1.00 58.56 ? 604 ALA A CA 1 ATOM 4322 C C . ALA A 1 542 ? 4.531 15.434 93.870 1.00 59.38 ? 604 ALA A C 1 ATOM 4323 O O . ALA A 1 542 ? 3.553 15.600 93.135 1.00 56.07 ? 604 ALA A O 1 ATOM 4324 C CB . ALA A 1 542 ? 6.899 14.696 93.412 1.00 53.19 ? 604 ALA A CB 1 ATOM 4325 N N . GLN A 1 543 ? 4.811 16.248 94.883 1.00 57.13 ? 605 GLN A N 1 ATOM 4326 C CA . GLN A 1 543 ? 4.025 17.450 95.143 1.00 59.65 ? 605 GLN A CA 1 ATOM 4327 C C . GLN A 1 543 ? 4.946 18.568 95.584 1.00 61.29 ? 605 GLN A C 1 ATOM 4328 O O . GLN A 1 543 ? 5.861 18.352 96.382 1.00 58.94 ? 605 GLN A O 1 ATOM 4329 C CB . GLN A 1 543 ? 2.972 17.185 96.249 1.00 60.20 ? 605 GLN A CB 1 ATOM 4330 C CG . GLN A 1 543 ? 1.919 18.281 96.443 1.00 63.48 ? 605 GLN A CG 1 ATOM 4331 C CD . GLN A 1 543 ? 2.449 19.543 97.109 1.00 66.01 ? 605 GLN A CD 1 ATOM 4332 O OE1 . GLN A 1 543 ? 3.385 19.494 97.909 1.00 63.83 ? 605 GLN A OE1 1 ATOM 4333 N NE2 . GLN A 1 543 ? 1.861 20.685 96.766 1.00 69.38 ? 605 GLN A NE2 1 ATOM 4334 N N . ASN A 1 544 ? 4.694 19.768 95.087 1.00 54.77 ? 606 ASN A N 1 ATOM 4335 C CA . ASN A 1 544 ? 5.370 20.924 95.616 1.00 61.00 ? 606 ASN A CA 1 ATOM 4336 C C . ASN A 1 544 ? 4.521 22.169 95.474 1.00 61.54 ? 606 ASN A C 1 ATOM 4337 O O . ASN A 1 544 ? 3.809 22.323 94.481 1.00 62.61 ? 606 ASN A O 1 ATOM 4338 C CB . ASN A 1 544 ? 6.712 21.107 94.920 1.00 59.06 ? 606 ASN A CB 1 ATOM 4339 C CG . ASN A 1 544 ? 7.615 22.013 95.686 1.00 56.35 ? 606 ASN A CG 1 ATOM 4340 O OD1 . ASN A 1 544 ? 7.446 23.223 95.675 1.00 61.31 ? 606 ASN A OD1 1 ATOM 4341 N ND2 . ASN A 1 544 ? 8.572 21.435 96.377 1.00 53.90 ? 606 ASN A ND2 1 ATOM 4342 N N . ASP A 1 545 ? 4.623 23.062 96.452 1.00 70.36 ? 607 ASP A N 1 ATOM 4343 C CA . ASP A 1 545 ? 3.856 24.316 96.447 1.00 69.91 ? 607 ASP A CA 1 ATOM 4344 C C . ASP A 1 545 ? 4.284 25.307 95.361 1.00 60.71 ? 607 ASP A C 1 ATOM 4345 O O . ASP A 1 545 ? 3.538 26.221 95.027 1.00 59.84 ? 607 ASP A O 1 ATOM 4346 C CB . ASP A 1 545 ? 3.881 24.964 97.835 1.00 75.47 ? 607 ASP A CB 1 ATOM 4347 C CG . ASP A 1 545 ? 2.971 24.252 98.821 1.00 76.42 ? 607 ASP A CG 1 ATOM 4348 O OD1 . ASP A 1 545 ? 2.190 23.379 98.390 1.00 62.50 ? 607 ASP A OD1 1 ATOM 4349 O OD2 . ASP A 1 545 ? 3.033 24.569 100.027 1.00 87.81 ? 607 ASP A OD2 1 ATOM 4350 N N . LEU A 1 546 ? 5.471 25.095 94.790 1.00 60.40 ? 608 LEU A N 1 ATOM 4351 C CA . LEU A 1 546 ? 5.894 25.807 93.577 1.00 59.78 ? 608 LEU A CA 1 ATOM 4352 C C . LEU A 1 546 ? 4.873 25.705 92.454 1.00 56.35 ? 608 LEU A C 1 ATOM 4353 O O . LEU A 1 546 ? 4.711 26.637 91.684 1.00 61.45 ? 608 LEU A O 1 ATOM 4354 C CB . LEU A 1 546 ? 7.229 25.257 93.067 1.00 57.83 ? 608 LEU A CB 1 ATOM 4355 C CG . LEU A 1 546 ? 8.423 25.571 93.952 1.00 61.37 ? 608 LEU A CG 1 ATOM 4356 C CD1 . LEU A 1 546 ? 9.595 24.697 93.536 1.00 62.07 ? 608 LEU A CD1 1 ATOM 4357 C CD2 . LEU A 1 546 ? 8.760 27.055 93.903 1.00 62.69 ? 608 LEU A CD2 1 ATOM 4358 N N . PHE A 1 547 ? 4.194 24.563 92.382 1.00 55.52 ? 609 PHE A N 1 ATOM 4359 C CA . PHE A 1 547 ? 3.264 24.224 91.306 1.00 56.10 ? 609 PHE A CA 1 ATOM 4360 C C . PHE A 1 547 ? 1.806 24.324 91.724 1.00 66.53 ? 609 PHE A C 1 ATOM 4361 O O . PHE A 1 547 ? 0.897 23.924 90.981 1.00 59.16 ? 609 PHE A O 1 ATOM 4362 C CB . PHE A 1 547 ? 3.574 22.809 90.848 1.00 56.04 ? 609 PHE A CB 1 ATOM 4363 C CG . PHE A 1 547 ? 5.040 22.591 90.633 1.00 51.28 ? 609 PHE A CG 1 ATOM 4364 C CD1 . PHE A 1 547 ? 5.741 23.445 89.806 1.00 51.38 ? 609 PHE A CD1 1 ATOM 4365 C CD2 . PHE A 1 547 ? 5.722 21.579 91.287 1.00 54.95 ? 609 PHE A CD2 1 ATOM 4366 C CE1 . PHE A 1 547 ? 7.104 23.277 89.608 1.00 51.77 ? 609 PHE A CE1 1 ATOM 4367 C CE2 . PHE A 1 547 ? 7.082 21.399 91.096 1.00 54.29 ? 609 PHE A CE2 1 ATOM 4368 C CZ . PHE A 1 547 ? 7.774 22.252 90.251 1.00 52.11 ? 609 PHE A CZ 1 ATOM 4369 N N . LYS A 1 548 ? 1.590 24.864 92.917 1.00 69.93 ? 610 LYS A N 1 ATOM 4370 C CA . LYS A 1 548 ? 0.248 25.073 93.431 1.00 71.60 ? 610 LYS A CA 1 ATOM 4371 C C . LYS A 1 548 ? -0.077 26.544 93.264 1.00 70.92 ? 610 LYS A C 1 ATOM 4372 O O . LYS A 1 548 ? 0.752 27.411 93.567 1.00 74.98 ? 610 LYS A O 1 ATOM 4373 C CB . LYS A 1 548 ? 0.156 24.652 94.890 1.00 68.47 ? 610 LYS A CB 1 ATOM 4374 C CG . LYS A 1 548 ? -1.276 24.627 95.414 1.00 67.90 ? 610 LYS A CG 1 ATOM 4375 C CD . LYS A 1 548 ? -1.294 24.085 96.821 1.00 70.05 ? 610 LYS A CD 1 ATOM 4376 C CE . LYS A 1 548 ? -2.408 24.723 97.601 1.00 80.66 ? 610 LYS A CE 1 ATOM 4377 N NZ . LYS A 1 548 ? -2.110 24.652 99.054 1.00 85.21 ? 610 LYS A NZ 1 ATOM 4378 N N . THR A 1 549 ? -1.237 26.795 92.694 1.00 68.57 ? 611 THR A N 1 ATOM 4379 C CA . THR A 1 549 ? -1.625 28.133 92.350 1.00 68.69 ? 611 THR A CA 1 ATOM 4380 C C . THR A 1 549 ? -2.904 28.590 93.067 1.00 75.61 ? 611 THR A C 1 ATOM 4381 O O . THR A 1 549 ? -3.752 27.793 93.399 1.00 84.75 ? 611 THR A O 1 ATOM 4382 C CB . THR A 1 549 ? -1.830 28.250 90.844 1.00 72.84 ? 611 THR A CB 1 ATOM 4383 O OG1 . THR A 1 549 ? -1.976 29.617 90.499 1.00 94.02 ? 611 THR A OG1 1 ATOM 4384 C CG2 . THR A 1 549 ? -3.044 27.531 90.422 1.00 61.73 ? 611 THR A CG2 1 ATOM 4385 N N . ALA A 1 550 ? -3.017 29.891 93.261 1.00 83.79 ? 612 ALA A N 1 ATOM 4386 C CA . ALA A 1 550 ? -4.245 30.495 93.693 1.00 84.58 ? 612 ALA A CA 1 ATOM 4387 C C . ALA A 1 550 ? -5.068 30.675 92.451 1.00 90.12 ? 612 ALA A C 1 ATOM 4388 O O . ALA A 1 550 ? -4.543 30.702 91.351 1.00 88.56 ? 612 ALA A O 1 ATOM 4389 C CB . ALA A 1 550 ? -3.978 31.833 94.334 1.00 87.24 ? 612 ALA A CB 1 ATOM 4390 N N . SER A 1 551 ? -6.365 30.807 92.637 1.00 86.88 ? 613 SER A N 1 ATOM 4391 C CA . SER A 1 551 ? -7.296 30.853 91.543 1.00 90.59 ? 613 SER A CA 1 ATOM 4392 C C . SER A 1 551 ? -6.973 31.913 90.511 1.00 85.35 ? 613 SER A C 1 ATOM 4393 O O . SER A 1 551 ? -7.200 31.712 89.338 1.00 112.03 ? 613 SER A O 1 ATOM 4394 C CB . SER A 1 551 ? -8.713 31.058 92.083 1.00 90.01 ? 613 SER A CB 1 ATOM 4395 O OG . SER A 1 551 ? -9.654 30.639 91.128 1.00 89.76 ? 613 SER A OG 1 ATOM 4396 N N . ASP A 1 552 ? -6.417 33.034 90.913 1.00 92.90 ? 614 ASP A N 1 ATOM 4397 C CA . ASP A 1 552 ? -6.054 34.060 89.944 1.00 91.74 ? 614 ASP A CA 1 ATOM 4398 C C . ASP A 1 552 ? -4.564 33.987 89.564 1.00 87.60 ? 614 ASP A C 1 ATOM 4399 O O . ASP A 1 552 ? -4.052 34.837 88.869 1.00 90.36 ? 614 ASP A O 1 ATOM 4400 C CB . ASP A 1 552 ? -6.365 35.441 90.505 1.00 89.44 ? 614 ASP A CB 1 ATOM 4401 C CG . ASP A 1 552 ? -6.218 35.508 92.016 1.00 80.07 ? 614 ASP A CG 1 ATOM 4402 O OD1 . ASP A 1 552 ? -5.789 34.499 92.595 1.00 84.56 ? 614 ASP A OD1 1 ATOM 4403 O OD2 . ASP A 1 552 ? -6.570 36.529 92.620 1.00 78.50 ? 614 ASP A OD2 1 ATOM 4404 N N . ASP A 1 553 ? -3.877 32.977 90.056 1.00 73.03 ? 615 ASP A N 1 ATOM 4405 C CA . ASP A 1 553 ? -2.455 32.842 89.837 1.00 81.53 ? 615 ASP A CA 1 ATOM 4406 C C . ASP A 1 553 ? -2.198 31.891 88.679 1.00 79.95 ? 615 ASP A C 1 ATOM 4407 O O . ASP A 1 553 ? -2.893 30.922 88.534 1.00 78.11 ? 615 ASP A O 1 ATOM 4408 C CB . ASP A 1 553 ? -1.838 32.219 91.068 1.00 82.77 ? 615 ASP A CB 1 ATOM 4409 C CG . ASP A 1 553 ? -1.492 33.216 92.126 1.00 78.30 ? 615 ASP A CG 1 ATOM 4410 O OD1 . ASP A 1 553 ? -1.526 34.410 91.853 1.00 100.34 ? 615 ASP A OD1 1 ATOM 4411 O OD2 . ASP A 1 553 ? -1.143 32.789 93.233 1.00 79.88 ? 615 ASP A OD2 1 ATOM 4412 N N . TRP A 1 554 ? -1.172 32.136 87.883 1.00 73.91 ? 616 TRP A N 1 ATOM 4413 C CA . TRP A 1 554 ? -0.744 31.137 86.909 1.00 64.26 ? 616 TRP A CA 1 ATOM 4414 C C . TRP A 1 554 ? 0.689 30.719 87.092 1.00 64.63 ? 616 TRP A C 1 ATOM 4415 O O . TRP A 1 554 ? 1.508 31.466 87.558 1.00 59.78 ? 616 TRP A O 1 ATOM 4416 C CB . TRP A 1 554 ? -0.983 31.574 85.473 1.00 61.70 ? 616 TRP A CB 1 ATOM 4417 C CG . TRP A 1 554 ? -0.301 32.817 85.052 1.00 70.25 ? 616 TRP A CG 1 ATOM 4418 C CD1 . TRP A 1 554 ? -0.830 34.047 85.029 1.00 74.68 ? 616 TRP A CD1 1 ATOM 4419 C CD2 . TRP A 1 554 ? 1.024 32.946 84.547 1.00 64.98 ? 616 TRP A CD2 1 ATOM 4420 N NE1 . TRP A 1 554 ? 0.070 34.944 84.574 1.00 65.31 ? 616 TRP A NE1 1 ATOM 4421 C CE2 . TRP A 1 554 ? 1.225 34.287 84.267 1.00 66.24 ? 616 TRP A CE2 1 ATOM 4422 C CE3 . TRP A 1 554 ? 2.064 32.052 84.320 1.00 59.16 ? 616 TRP A CE3 1 ATOM 4423 C CZ2 . TRP A 1 554 ? 2.412 34.762 83.775 1.00 60.99 ? 616 TRP A CZ2 1 ATOM 4424 C CZ3 . TRP A 1 554 ? 3.222 32.523 83.837 1.00 57.47 ? 616 TRP A CZ3 1 ATOM 4425 C CH2 . TRP A 1 554 ? 3.401 33.860 83.575 1.00 62.08 ? 616 TRP A CH2 1 ATOM 4426 N N . VAL A 1 555 ? 0.964 29.483 86.736 1.00 63.33 ? 617 VAL A N 1 ATOM 4427 C CA . VAL A 1 555 ? 2.320 28.962 86.755 1.00 59.26 ? 617 VAL A CA 1 ATOM 4428 C C . VAL A 1 555 ? 2.664 28.289 85.404 1.00 57.16 ? 617 VAL A C 1 ATOM 4429 O O . VAL A 1 555 ? 1.797 27.738 84.714 1.00 50.54 ? 617 VAL A O 1 ATOM 4430 C CB . VAL A 1 555 ? 2.520 27.984 87.927 1.00 59.42 ? 617 VAL A CB 1 ATOM 4431 C CG1 . VAL A 1 555 ? 1.799 26.676 87.643 1.00 54.32 ? 617 VAL A CG1 1 ATOM 4432 C CG2 . VAL A 1 555 ? 4.014 27.696 88.112 1.00 57.29 ? 617 VAL A CG2 1 ATOM 4433 N N . LEU A 1 556 ? 3.942 28.348 85.043 1.00 52.19 ? 618 LEU A N 1 ATOM 4434 C CA . LEU A 1 556 ? 4.416 27.856 83.764 1.00 50.08 ? 618 LEU A CA 1 ATOM 4435 C C . LEU A 1 556 ? 5.790 27.256 83.971 1.00 47.95 ? 618 LEU A C 1 ATOM 4436 O O . LEU A 1 556 ? 6.661 27.887 84.566 1.00 46.91 ? 618 LEU A O 1 ATOM 4437 C CB . LEU A 1 556 ? 4.470 29.014 82.771 1.00 49.62 ? 618 LEU A CB 1 ATOM 4438 C CG . LEU A 1 556 ? 4.500 28.679 81.286 1.00 49.56 ? 618 LEU A CG 1 ATOM 4439 C CD1 . LEU A 1 556 ? 3.906 29.782 80.420 1.00 56.63 ? 618 LEU A CD1 1 ATOM 4440 C CD2 . LEU A 1 556 ? 5.925 28.398 80.880 1.00 51.47 ? 618 LEU A CD2 1 ATOM 4441 N N . LEU A 1 557 ? 6.013 26.057 83.457 1.00 47.73 ? 619 LEU A N 1 ATOM 4442 C CA . LEU A 1 557 ? 7.229 25.295 83.692 1.00 44.02 ? 619 LEU A CA 1 ATOM 4443 C C . LEU A 1 557 ? 8.168 25.236 82.482 1.00 43.46 ? 619 LEU A C 1 ATOM 4444 O O . LEU A 1 557 ? 7.748 25.392 81.370 1.00 39.19 ? 619 LEU A O 1 ATOM 4445 C CB . LEU A 1 557 ? 6.883 23.875 84.083 1.00 45.54 ? 619 LEU A CB 1 ATOM 4446 C CG . LEU A 1 557 ? 6.675 23.524 85.535 1.00 46.05 ? 619 LEU A CG 1 ATOM 4447 C CD1 . LEU A 1 557 ? 5.509 24.341 86.030 1.00 46.17 ? 619 LEU A CD1 1 ATOM 4448 C CD2 . LEU A 1 557 ? 6.381 22.056 85.680 1.00 46.97 ? 619 LEU A CD2 1 ATOM 4449 N N . ASN A 1 558 ? 9.429 24.939 82.745 1.00 41.22 ? 620 ASN A N 1 ATOM 4450 C CA . ASN A 1 558 ? 10.469 24.843 81.724 1.00 42.43 ? 620 ASN A CA 1 ATOM 4451 C C . ASN A 1 558 ? 10.742 26.112 80.980 1.00 41.58 ? 620 ASN A C 1 ATOM 4452 O O . ASN A 1 558 ? 10.400 26.258 79.845 1.00 39.52 ? 620 ASN A O 1 ATOM 4453 C CB . ASN A 1 558 ? 10.136 23.727 80.748 1.00 39.88 ? 620 ASN A CB 1 ATOM 4454 C CG . ASN A 1 558 ? 11.370 23.055 80.157 1.00 39.61 ? 620 ASN A CG 1 ATOM 4455 O OD1 . ASN A 1 558 ? 12.488 23.304 80.551 1.00 37.20 ? 620 ASN A OD1 1 ATOM 4456 N ND2 . ASN A 1 558 ? 11.131 22.172 79.237 1.00 37.54 ? 620 ASN A ND2 1 ATOM 4457 N N . VAL A 1 559 ? 11.308 27.070 81.685 1.00 45.19 ? 621 VAL A N 1 ATOM 4458 C CA . VAL A 1 559 ? 11.569 28.350 81.094 1.00 42.36 ? 621 VAL A CA 1 ATOM 4459 C C . VAL A 1 559 ? 12.547 28.200 79.943 1.00 39.57 ? 621 VAL A C 1 ATOM 4460 O O . VAL A 1 559 ? 13.565 27.596 80.064 1.00 38.90 ? 621 VAL A O 1 ATOM 4461 C CB . VAL A 1 559 ? 12.111 29.348 82.137 1.00 43.60 ? 621 VAL A CB 1 ATOM 4462 C CG1 . VAL A 1 559 ? 12.287 30.716 81.538 1.00 45.82 ? 621 VAL A CG1 1 ATOM 4463 C CG2 . VAL A 1 559 ? 11.175 29.432 83.323 1.00 46.87 ? 621 VAL A CG2 1 ATOM 4464 N N . ASN A 1 560 ? 12.189 28.792 78.832 1.00 38.09 ? 622 ASN A N 1 ATOM 4465 C CA . ASN A 1 560 ? 12.964 28.742 77.636 1.00 38.35 ? 622 ASN A CA 1 ATOM 4466 C C . ASN A 1 560 ? 13.232 27.336 77.099 1.00 39.08 ? 622 ASN A C 1 ATOM 4467 O O . ASN A 1 560 ? 14.077 27.144 76.287 1.00 36.32 ? 622 ASN A O 1 ATOM 4468 C CB . ASN A 1 560 ? 14.226 29.529 77.846 1.00 38.46 ? 622 ASN A CB 1 ATOM 4469 C CG . ASN A 1 560 ? 13.960 30.998 77.867 1.00 43.22 ? 622 ASN A CG 1 ATOM 4470 O OD1 . ASN A 1 560 ? 13.044 31.478 77.302 1.00 43.68 ? 622 ASN A OD1 1 ATOM 4471 N ND2 . ASN A 1 560 ? 14.732 31.676 78.537 1.00 44.76 ? 622 ASN A ND2 1 ATOM 4472 N N . VAL A 1 561 ? 12.447 26.386 77.558 1.00 38.43 ? 623 VAL A N 1 ATOM 4473 C CA . VAL A 1 561 ? 12.546 25.000 77.170 1.00 37.25 ? 623 VAL A CA 1 ATOM 4474 C C . VAL A 1 561 ? 13.985 24.525 77.226 1.00 36.35 ? 623 VAL A C 1 ATOM 4475 O O . VAL A 1 561 ? 14.491 23.940 76.296 1.00 33.95 ? 623 VAL A O 1 ATOM 4476 C CB . VAL A 1 561 ? 11.914 24.732 75.794 1.00 35.69 ? 623 VAL A CB 1 ATOM 4477 C CG1 . VAL A 1 561 ? 11.719 23.260 75.571 1.00 34.45 ? 623 VAL A CG1 1 ATOM 4478 C CG2 . VAL A 1 561 ? 10.594 25.442 75.666 1.00 37.29 ? 623 VAL A CG2 1 ATOM 4479 N N . THR A 1 562 ? 14.626 24.787 78.345 1.00 34.46 ? 624 THR A N 1 ATOM 4480 C CA . THR A 1 562 ? 15.991 24.308 78.563 1.00 36.40 ? 624 THR A CA 1 ATOM 4481 C C . THR A 1 562 ? 15.979 22.794 78.863 1.00 36.33 ? 624 THR A C 1 ATOM 4482 O O . THR A 1 562 ? 16.966 22.105 78.605 1.00 35.28 ? 624 THR A O 1 ATOM 4483 C CB . THR A 1 562 ? 16.698 25.017 79.733 1.00 38.68 ? 624 THR A CB 1 ATOM 4484 O OG1 . THR A 1 562 ? 15.934 24.801 80.922 1.00 40.66 ? 624 THR A OG1 1 ATOM 4485 C CG2 . THR A 1 562 ? 16.831 26.525 79.487 1.00 35.97 ? 624 THR A CG2 1 ATOM 4486 N N . GLY A 1 563 ? 14.875 22.300 79.423 1.00 35.50 ? 625 GLY A N 1 ATOM 4487 C CA . GLY A 1 563 ? 14.705 20.875 79.711 1.00 32.06 ? 625 GLY A CA 1 ATOM 4488 C C . GLY A 1 563 ? 14.074 20.108 78.556 1.00 33.17 ? 625 GLY A C 1 ATOM 4489 O O . GLY A 1 563 ? 13.177 20.596 77.873 1.00 34.80 ? 625 GLY A O 1 ATOM 4490 N N . TYR A 1 564 ? 14.553 18.889 78.352 1.00 33.00 ? 626 TYR A N 1 ATOM 4491 C CA . TYR A 1 564 ? 14.079 18.022 77.283 1.00 33.48 ? 626 TYR A CA 1 ATOM 4492 C C . TYR A 1 564 ? 12.787 17.303 77.701 1.00 33.37 ? 626 TYR A C 1 ATOM 4493 O O . TYR A 1 564 ? 12.770 16.094 77.936 1.00 31.95 ? 626 TYR A O 1 ATOM 4494 C CB . TYR A 1 564 ? 15.194 17.032 76.906 1.00 31.63 ? 626 TYR A CB 1 ATOM 4495 C CG . TYR A 1 564 ? 14.899 16.234 75.651 1.00 31.95 ? 626 TYR A CG 1 ATOM 4496 C CD1 . TYR A 1 564 ? 14.826 16.857 74.405 1.00 31.45 ? 626 TYR A CD1 1 ATOM 4497 C CD2 . TYR A 1 564 ? 14.684 14.879 75.710 1.00 32.77 ? 626 TYR A CD2 1 ATOM 4498 C CE1 . TYR A 1 564 ? 14.531 16.141 73.257 1.00 31.67 ? 626 TYR A CE1 1 ATOM 4499 C CE2 . TYR A 1 564 ? 14.378 14.144 74.555 1.00 32.67 ? 626 TYR A CE2 1 ATOM 4500 C CZ . TYR A 1 564 ? 14.337 14.780 73.335 1.00 30.40 ? 626 TYR A CZ 1 ATOM 4501 O OH . TYR A 1 564 ? 13.998 14.083 72.213 1.00 31.13 ? 626 TYR A OH 1 ATOM 4502 N N . PHE A 1 565 ? 11.697 18.065 77.778 1.00 33.91 ? 627 PHE A N 1 ATOM 4503 C CA . PHE A 1 565 ? 10.394 17.487 78.139 1.00 37.74 ? 627 PHE A CA 1 ATOM 4504 C C . PHE A 1 565 ? 9.297 18.431 77.724 1.00 37.45 ? 627 PHE A C 1 ATOM 4505 O O . PHE A 1 565 ? 9.585 19.576 77.436 1.00 35.02 ? 627 PHE A O 1 ATOM 4506 C CB . PHE A 1 565 ? 10.283 17.174 79.653 1.00 39.08 ? 627 PHE A CB 1 ATOM 4507 C CG . PHE A 1 565 ? 10.512 18.353 80.562 1.00 39.26 ? 627 PHE A CG 1 ATOM 4508 C CD1 . PHE A 1 565 ? 11.796 18.660 81.008 1.00 36.32 ? 627 PHE A CD1 1 ATOM 4509 C CD2 . PHE A 1 565 ? 9.448 19.144 81.022 1.00 40.80 ? 627 PHE A CD2 1 ATOM 4510 C CE1 . PHE A 1 565 ? 12.021 19.728 81.862 1.00 37.75 ? 627 PHE A CE1 1 ATOM 4511 C CE2 . PHE A 1 565 ? 9.666 20.225 81.884 1.00 38.10 ? 627 PHE A CE2 1 ATOM 4512 C CZ . PHE A 1 565 ? 10.950 20.515 82.309 1.00 34.85 ? 627 PHE A CZ 1 ATOM 4513 N N . GLN A 1 566 ? 8.060 17.941 77.688 1.00 38.29 ? 628 GLN A N 1 ATOM 4514 C CA . GLN A 1 566 ? 6.915 18.766 77.375 1.00 36.98 ? 628 GLN A CA 1 ATOM 4515 C C . GLN A 1 566 ? 6.060 18.829 78.624 1.00 40.40 ? 628 GLN A C 1 ATOM 4516 O O . GLN A 1 566 ? 6.209 17.957 79.505 1.00 40.09 ? 628 GLN A O 1 ATOM 4517 C CB . GLN A 1 566 ? 6.167 18.197 76.178 1.00 36.54 ? 628 GLN A CB 1 ATOM 4518 C CG . GLN A 1 566 ? 7.048 18.239 74.936 1.00 36.46 ? 628 GLN A CG 1 ATOM 4519 C CD . GLN A 1 566 ? 6.343 17.845 73.666 1.00 38.10 ? 628 GLN A CD 1 ATOM 4520 O OE1 . GLN A 1 566 ? 5.201 18.253 73.403 1.00 39.51 ? 628 GLN A OE1 1 ATOM 4521 N NE2 . GLN A 1 566 ? 7.019 17.056 72.856 1.00 37.03 ? 628 GLN A NE2 1 ATOM 4522 N N . VAL A 1 567 ? 5.199 19.850 78.705 1.00 39.24 ? 629 VAL A N 1 ATOM 4523 C CA . VAL A 1 567 ? 4.451 20.128 79.940 1.00 43.25 ? 629 VAL A CA 1 ATOM 4524 C C . VAL A 1 567 ? 2.970 20.227 79.662 1.00 45.14 ? 629 VAL A C 1 ATOM 4525 O O . VAL A 1 567 ? 2.555 20.910 78.712 1.00 42.47 ? 629 VAL A O 1 ATOM 4526 C CB . VAL A 1 567 ? 4.883 21.463 80.612 1.00 41.86 ? 629 VAL A CB 1 ATOM 4527 C CG1 . VAL A 1 567 ? 4.133 21.671 81.913 1.00 44.07 ? 629 VAL A CG1 1 ATOM 4528 C CG2 . VAL A 1 567 ? 6.375 21.493 80.872 1.00 37.19 ? 629 VAL A CG2 1 ATOM 4529 N N . ASN A 1 568 ? 2.178 19.554 80.496 1.00 44.76 ? 630 ASN A N 1 ATOM 4530 C CA . ASN A 1 568 ? 0.733 19.728 80.508 1.00 45.70 ? 630 ASN A CA 1 ATOM 4531 C C . ASN A 1 568 ? 0.254 20.255 81.867 1.00 46.95 ? 630 ASN A C 1 ATOM 4532 O O . ASN A 1 568 ? 0.905 20.023 82.882 1.00 44.31 ? 630 ASN A O 1 ATOM 4533 C CB . ASN A 1 568 ? 0.035 18.416 80.196 1.00 45.51 ? 630 ASN A CB 1 ATOM 4534 C CG . ASN A 1 568 ? -1.395 18.616 79.782 1.00 47.32 ? 630 ASN A CG 1 ATOM 4535 O OD1 . ASN A 1 568 ? -1.833 19.731 79.517 1.00 56.05 ? 630 ASN A OD1 1 ATOM 4536 N ND2 . ASN A 1 568 ? -2.133 17.538 79.720 1.00 49.14 ? 630 ASN A ND2 1 ATOM 4537 N N . TYR A 1 569 ? -0.863 20.983 81.854 1.00 48.68 ? 631 TYR A N 1 ATOM 4538 C CA . TYR A 1 569 ? -1.471 21.543 83.059 1.00 50.33 ? 631 TYR A CA 1 ATOM 4539 C C . TYR A 1 569 ? -2.931 21.115 83.094 1.00 54.79 ? 631 TYR A C 1 ATOM 4540 O O . TYR A 1 569 ? -3.452 20.637 82.096 1.00 52.93 ? 631 TYR A O 1 ATOM 4541 C CB . TYR A 1 569 ? -1.405 23.075 83.049 1.00 51.07 ? 631 TYR A CB 1 ATOM 4542 C CG . TYR A 1 569 ? -0.050 23.641 82.750 1.00 50.51 ? 631 TYR A CG 1 ATOM 4543 C CD1 . TYR A 1 569 ? 0.899 23.804 83.758 1.00 48.25 ? 631 TYR A CD1 1 ATOM 4544 C CD2 . TYR A 1 569 ? 0.288 24.022 81.460 1.00 46.74 ? 631 TYR A CD2 1 ATOM 4545 C CE1 . TYR A 1 569 ? 2.154 24.320 83.476 1.00 49.51 ? 631 TYR A CE1 1 ATOM 4546 C CE2 . TYR A 1 569 ? 1.524 24.552 81.180 1.00 48.36 ? 631 TYR A CE2 1 ATOM 4547 C CZ . TYR A 1 569 ? 2.456 24.689 82.180 1.00 48.52 ? 631 TYR A CZ 1 ATOM 4548 O OH . TYR A 1 569 ? 3.697 25.196 81.865 1.00 47.89 ? 631 TYR A OH 1 ATOM 4549 N N . ASP A 1 570 ? -3.581 21.276 84.247 1.00 62.72 ? 632 ASP A N 1 ATOM 4550 C CA . ASP A 1 570 ? -5.038 21.223 84.335 1.00 61.63 ? 632 ASP A CA 1 ATOM 4551 C C . ASP A 1 570 ? -5.606 22.362 83.462 1.00 58.80 ? 632 ASP A C 1 ATOM 4552 O O . ASP A 1 570 ? -4.904 23.343 83.188 1.00 55.01 ? 632 ASP A O 1 ATOM 4553 C CB . ASP A 1 570 ? -5.457 21.426 85.797 1.00 62.86 ? 632 ASP A CB 1 ATOM 4554 C CG . ASP A 1 570 ? -5.003 22.768 86.334 1.00 65.09 ? 632 ASP A CG 1 ATOM 4555 O OD1 . ASP A 1 570 ? -3.841 22.877 86.786 1.00 60.80 ? 632 ASP A OD1 1 ATOM 4556 O OD2 . ASP A 1 570 ? -5.783 23.732 86.230 1.00 69.48 ? 632 ASP A OD2 1 ATOM 4557 N N . GLU A 1 571 ? -6.866 22.244 83.046 1.00 58.49 ? 633 GLU A N 1 ATOM 4558 C CA . GLU A 1 571 ? -7.494 23.235 82.156 1.00 57.24 ? 633 GLU A CA 1 ATOM 4559 C C . GLU A 1 571 ? -7.553 24.650 82.728 1.00 68.86 ? 633 GLU A C 1 ATOM 4560 O O . GLU A 1 571 ? -7.370 25.617 81.989 1.00 61.47 ? 633 GLU A O 1 ATOM 4561 C CB . GLU A 1 571 ? -8.889 22.783 81.694 1.00 67.53 ? 633 GLU A CB 1 ATOM 4562 C CG . GLU A 1 571 ? -8.828 21.503 80.853 1.00 75.59 ? 633 GLU A CG 1 ATOM 4563 C CD . GLU A 1 571 ? -10.011 21.273 79.922 1.00 74.39 ? 633 GLU A CD 1 ATOM 4564 O OE1 . GLU A 1 571 ? -11.118 21.799 80.186 1.00 88.01 ? 633 GLU A OE1 1 ATOM 4565 O OE2 . GLU A 1 571 ? -9.819 20.535 78.917 1.00 80.59 ? 633 GLU A OE2 1 ATOM 4566 N N . ASP A 1 572 ? -7.777 24.775 84.030 1.00 65.70 ? 634 ASP A N 1 ATOM 4567 C CA . ASP A 1 572 ? -7.836 26.098 84.651 1.00 66.19 ? 634 ASP A CA 1 ATOM 4568 C C . ASP A 1 572 ? -6.527 26.876 84.479 1.00 63.13 ? 634 ASP A C 1 ATOM 4569 O O . ASP A 1 572 ? -6.515 28.044 84.068 1.00 62.17 ? 634 ASP A O 1 ATOM 4570 C CB . ASP A 1 572 ? -8.181 25.984 86.131 1.00 64.46 ? 634 ASP A CB 1 ATOM 4571 C CG . ASP A 1 572 ? -9.570 25.401 86.375 1.00 78.14 ? 634 ASP A CG 1 ATOM 4572 O OD1 . ASP A 1 572 ? -10.477 25.597 85.537 1.00 72.69 ? 634 ASP A OD1 1 ATOM 4573 O OD2 . ASP A 1 572 ? -9.766 24.756 87.428 1.00 79.52 ? 634 ASP A OD2 1 ATOM 4574 N N . ASN A 1 573 ? -5.409 26.230 84.766 1.00 65.96 ? 635 ASN A N 1 ATOM 4575 C CA . ASN A 1 573 ? -4.133 26.913 84.583 1.00 60.76 ? 635 ASN A CA 1 ATOM 4576 C C . ASN A 1 573 ? -3.819 27.247 83.109 1.00 59.84 ? 635 ASN A C 1 ATOM 4577 O O . ASN A 1 573 ? -3.236 28.289 82.806 1.00 57.16 ? 635 ASN A O 1 ATOM 4578 C CB . ASN A 1 573 ? -3.014 26.117 85.219 1.00 59.62 ? 635 ASN A CB 1 ATOM 4579 C CG . ASN A 1 573 ? -1.721 26.890 85.268 1.00 51.05 ? 635 ASN A CG 1 ATOM 4580 O OD1 . ASN A 1 573 ? -1.569 27.845 86.019 1.00 58.44 ? 635 ASN A OD1 1 ATOM 4581 N ND2 . ASN A 1 573 ? -0.761 26.460 84.452 1.00 49.11 ? 635 ASN A ND2 1 ATOM 4582 N N . TRP A 1 574 ? -4.234 26.371 82.198 1.00 58.62 ? 636 TRP A N 1 ATOM 4583 C CA . TRP A 1 574 ? -4.198 26.695 80.779 1.00 57.91 ? 636 TRP A CA 1 ATOM 4584 C C . TRP A 1 574 ? -4.984 27.979 80.447 1.00 59.17 ? 636 TRP A C 1 ATOM 4585 O O . TRP A 1 574 ? -4.458 28.843 79.736 1.00 52.87 ? 636 TRP A O 1 ATOM 4586 C CB . TRP A 1 574 ? -4.732 25.549 79.923 1.00 57.14 ? 636 TRP A CB 1 ATOM 4587 C CG . TRP A 1 574 ? -3.796 24.384 79.653 1.00 53.70 ? 636 TRP A CG 1 ATOM 4588 C CD1 . TRP A 1 574 ? -4.013 23.087 79.998 1.00 54.72 ? 636 TRP A CD1 1 ATOM 4589 C CD2 . TRP A 1 574 ? -2.555 24.403 78.932 1.00 54.42 ? 636 TRP A CD2 1 ATOM 4590 N NE1 . TRP A 1 574 ? -2.984 22.293 79.564 1.00 51.29 ? 636 TRP A NE1 1 ATOM 4591 C CE2 . TRP A 1 574 ? -2.072 23.073 78.903 1.00 50.41 ? 636 TRP A CE2 1 ATOM 4592 C CE3 . TRP A 1 574 ? -1.795 25.413 78.324 1.00 53.15 ? 636 TRP A CE3 1 ATOM 4593 C CZ2 . TRP A 1 574 ? -0.873 22.724 78.290 1.00 49.77 ? 636 TRP A CZ2 1 ATOM 4594 C CZ3 . TRP A 1 574 ? -0.587 25.058 77.711 1.00 54.08 ? 636 TRP A CZ3 1 ATOM 4595 C CH2 . TRP A 1 574 ? -0.140 23.725 77.707 1.00 48.58 ? 636 TRP A CH2 1 ATOM 4596 N N . ARG A 1 575 ? -6.219 28.095 80.967 1.00 61.14 ? 637 ARG A N 1 ATOM 4597 C CA . ARG A 1 575 ? -7.068 29.252 80.667 1.00 70.55 ? 637 ARG A CA 1 ATOM 4598 C C . ARG A 1 575 ? -6.414 30.523 81.189 1.00 67.14 ? 637 ARG A C 1 ATOM 4599 O O . ARG A 1 575 ? -6.506 31.569 80.551 1.00 59.68 ? 637 ARG A O 1 ATOM 4600 C CB . ARG A 1 575 ? -8.488 29.096 81.235 1.00 72.80 ? 637 ARG A CB 1 ATOM 4601 C CG . ARG A 1 575 ? -9.425 30.265 80.886 1.00 79.66 ? 637 ARG A CG 1 ATOM 4602 C CD . ARG A 1 575 ? -10.901 30.023 81.215 1.00 83.84 ? 637 ARG A CD 1 ATOM 4603 N NE . ARG A 1 575 ? -11.088 29.728 82.638 1.00 95.90 ? 637 ARG A NE 1 ATOM 4604 C CZ . ARG A 1 575 ? -11.139 28.502 83.157 1.00 83.42 ? 637 ARG A CZ 1 ATOM 4605 N NH1 . ARG A 1 575 ? -11.047 27.427 82.374 1.00 99.66 ? 637 ARG A NH1 1 ATOM 4606 N NH2 . ARG A 1 575 ? -11.279 28.349 84.471 1.00 89.93 ? 637 ARG A NH2 1 ATOM 4607 N N . MET A 1 576 ? -5.711 30.408 82.317 1.00 60.29 ? 638 MET A N 1 ATOM 4608 C CA . MET A 1 576 ? -5.036 31.553 82.922 1.00 67.53 ? 638 MET A CA 1 ATOM 4609 C C . MET A 1 576 ? -3.851 32.020 82.081 1.00 60.42 ? 638 MET A C 1 ATOM 4610 O O . MET A 1 576 ? -3.679 33.228 81.880 1.00 61.68 ? 638 MET A O 1 ATOM 4611 C CB . MET A 1 576 ? -4.613 31.266 84.377 1.00 67.83 ? 638 MET A CB 1 ATOM 4612 C CG . MET A 1 576 ? -5.768 31.164 85.364 1.00 66.96 ? 638 MET A CG 1 ATOM 4613 S SD . MET A 1 576 ? -6.738 32.694 85.453 1.00 76.69 ? 638 MET A SD 1 ATOM 4614 C CE . MET A 1 576 ? -5.580 33.751 86.332 1.00 72.21 ? 638 MET A CE 1 ATOM 4615 N N . ILE A 1 577 ? -3.055 31.058 81.589 1.00 57.10 ? 639 ILE A N 1 ATOM 4616 C CA . ILE A 1 577 ? -1.962 31.372 80.680 1.00 61.82 ? 639 ILE A CA 1 ATOM 4617 C C . ILE A 1 577 ? -2.535 32.044 79.433 1.00 58.03 ? 639 ILE A C 1 ATOM 4618 O O . ILE A 1 577 ? -2.018 33.066 78.978 1.00 57.41 ? 639 ILE A O 1 ATOM 4619 C CB . ILE A 1 577 ? -1.120 30.106 80.337 1.00 63.09 ? 639 ILE A CB 1 ATOM 4620 C CG1 . ILE A 1 577 ? -0.343 29.636 81.579 1.00 57.67 ? 639 ILE A CG1 1 ATOM 4621 C CG2 . ILE A 1 577 ? -0.161 30.370 79.170 1.00 59.53 ? 639 ILE A CG2 1 ATOM 4622 C CD1 . ILE A 1 577 ? 0.098 28.188 81.531 1.00 58.86 ? 639 ILE A CD1 1 ATOM 4623 N N . GLN A 1 578 ? -3.616 31.485 78.902 1.00 56.12 ? 640 GLN A N 1 ATOM 4624 C CA . GLN A 1 578 ? -4.322 32.093 77.777 1.00 59.78 ? 640 GLN A CA 1 ATOM 4625 C C . GLN A 1 578 ? -4.715 33.561 78.049 1.00 60.45 ? 640 GLN A C 1 ATOM 4626 O O . GLN A 1 578 ? -4.412 34.443 77.228 1.00 66.94 ? 640 GLN A O 1 ATOM 4627 C CB . GLN A 1 578 ? -5.530 31.240 77.387 1.00 60.79 ? 640 GLN A CB 1 ATOM 4628 C CG . GLN A 1 578 ? -5.134 29.923 76.734 1.00 60.44 ? 640 GLN A CG 1 ATOM 4629 C CD . GLN A 1 578 ? -6.251 28.888 76.694 1.00 59.03 ? 640 GLN A CD 1 ATOM 4630 O OE1 . GLN A 1 578 ? -7.403 29.166 76.987 1.00 61.06 ? 640 GLN A OE1 1 ATOM 4631 N NE2 . GLN A 1 578 ? -5.898 27.677 76.312 1.00 60.90 ? 640 GLN A NE2 1 ATOM 4632 N N . HIS A 1 579 ? -5.358 33.821 79.192 1.00 61.74 ? 641 HIS A N 1 ATOM 4633 C CA . HIS A 1 579 ? -5.770 35.198 79.564 1.00 69.12 ? 641 HIS A CA 1 ATOM 4634 C C . HIS A 1 579 ? -4.545 36.119 79.547 1.00 68.89 ? 641 HIS A C 1 ATOM 4635 O O . HIS A 1 579 ? -4.572 37.188 78.935 1.00 71.78 ? 641 HIS A O 1 ATOM 4636 C CB . HIS A 1 579 ? -6.497 35.259 80.935 1.00 70.32 ? 641 HIS A CB 1 ATOM 4637 C CG . HIS A 1 579 ? -7.549 36.334 81.029 1.00 85.76 ? 641 HIS A CG 1 ATOM 4638 N ND1 . HIS A 1 579 ? -7.366 37.508 81.737 1.00 89.62 ? 641 HIS A ND1 1 ATOM 4639 C CD2 . HIS A 1 579 ? -8.799 36.404 80.509 1.00 95.56 ? 641 HIS A CD2 1 ATOM 4640 C CE1 . HIS A 1 579 ? -8.451 38.254 81.642 1.00 98.42 ? 641 HIS A CE1 1 ATOM 4641 N NE2 . HIS A 1 579 ? -9.338 37.607 80.903 1.00 102.85 ? 641 HIS A NE2 1 ATOM 4642 N N . GLN A 1 580 ? -3.472 35.680 80.203 1.00 63.41 ? 642 GLN A N 1 ATOM 4643 C CA . GLN A 1 580 ? -2.217 36.429 80.247 1.00 62.31 ? 642 GLN A CA 1 ATOM 4644 C C . GLN A 1 580 ? -1.717 36.756 78.845 1.00 61.91 ? 642 GLN A C 1 ATOM 4645 O O . GLN A 1 580 ? -1.383 37.905 78.545 1.00 63.34 ? 642 GLN A O 1 ATOM 4646 C CB . GLN A 1 580 ? -1.153 35.640 81.000 1.00 62.94 ? 642 GLN A CB 1 ATOM 4647 C CG . GLN A 1 580 ? 0.132 36.413 81.248 1.00 62.00 ? 642 GLN A CG 1 ATOM 4648 C CD . GLN A 1 580 ? -0.076 37.571 82.215 1.00 66.72 ? 642 GLN A CD 1 ATOM 4649 O OE1 . GLN A 1 580 ? -0.490 37.375 83.359 1.00 65.08 ? 642 GLN A OE1 1 ATOM 4650 N NE2 . GLN A 1 580 ? 0.188 38.784 81.751 1.00 63.56 ? 642 GLN A NE2 1 ATOM 4651 N N . LEU A 1 581 ? -1.691 35.745 77.986 1.00 60.19 ? 643 LEU A N 1 ATOM 4652 C CA . LEU A 1 581 ? -1.220 35.941 76.629 1.00 60.26 ? 643 LEU A CA 1 ATOM 4653 C C . LEU A 1 581 ? -2.101 36.929 75.879 1.00 62.88 ? 643 LEU A C 1 ATOM 4654 O O . LEU A 1 581 ? -1.595 37.741 75.098 1.00 63.03 ? 643 LEU A O 1 ATOM 4655 C CB . LEU A 1 581 ? -1.092 34.609 75.882 1.00 56.49 ? 643 LEU A CB 1 ATOM 4656 C CG . LEU A 1 581 ? 0.064 33.703 76.360 1.00 59.77 ? 643 LEU A CG 1 ATOM 4657 C CD1 . LEU A 1 581 ? -0.095 32.294 75.806 1.00 59.58 ? 643 LEU A CD1 1 ATOM 4658 C CD2 . LEU A 1 581 ? 1.449 34.251 76.012 1.00 54.70 ? 643 LEU A CD2 1 ATOM 4659 N N . GLN A 1 582 ? -3.410 36.879 76.130 1.00 69.16 ? 644 GLN A N 1 ATOM 4660 C CA . GLN A 1 582 ? -4.329 37.834 75.510 1.00 72.36 ? 644 GLN A CA 1 ATOM 4661 C C . GLN A 1 582 ? -4.209 39.252 76.064 1.00 72.21 ? 644 GLN A C 1 ATOM 4662 O O . GLN A 1 582 ? -4.398 40.218 75.324 1.00 75.33 ? 644 GLN A O 1 ATOM 4663 C CB . GLN A 1 582 ? -5.782 37.358 75.603 1.00 76.56 ? 644 GLN A CB 1 ATOM 4664 C CG . GLN A 1 582 ? -6.274 36.652 74.344 1.00 81.51 ? 644 GLN A CG 1 ATOM 4665 C CD . GLN A 1 582 ? -6.643 35.200 74.589 1.00 84.95 ? 644 GLN A CD 1 ATOM 4666 O OE1 . GLN A 1 582 ? -5.854 34.274 74.324 1.00 77.73 ? 644 GLN A OE1 1 ATOM 4667 N NE2 . GLN A 1 582 ? -7.850 34.987 75.120 1.00 91.52 ? 644 GLN A NE2 1 ATOM 4668 N N . THR A 1 583 ? -3.898 39.383 77.351 1.00 73.06 ? 645 THR A N 1 ATOM 4669 C CA . THR A 1 583 ? -3.929 40.696 77.990 1.00 74.53 ? 645 THR A CA 1 ATOM 4670 C C . THR A 1 583 ? -2.559 41.392 78.134 1.00 73.22 ? 645 THR A C 1 ATOM 4671 O O . THR A 1 583 ? -2.463 42.580 77.892 1.00 72.40 ? 645 THR A O 1 ATOM 4672 C CB . THR A 1 583 ? -4.711 40.666 79.315 1.00 77.77 ? 645 THR A CB 1 ATOM 4673 O OG1 . THR A 1 583 ? -4.076 39.780 80.230 1.00 79.97 ? 645 THR A OG1 1 ATOM 4674 C CG2 . THR A 1 583 ? -6.151 40.200 79.081 1.00 78.88 ? 645 THR A CG2 1 ATOM 4675 N N . ASN A 1 584 ? -1.508 40.671 78.527 1.00 63.85 ? 646 ASN A N 1 ATOM 4676 C CA . ASN A 1 584 ? -0.110 41.184 78.438 1.00 71.16 ? 646 ASN A CA 1 ATOM 4677 C C . ASN A 1 584 ? 0.828 39.987 78.176 1.00 67.85 ? 646 ASN A C 1 ATOM 4678 O O . ASN A 1 584 ? 1.264 39.283 79.105 1.00 64.00 ? 646 ASN A O 1 ATOM 4679 C CB . ASN A 1 584 ? 0.324 42.065 79.674 1.00 72.97 ? 646 ASN A CB 1 ATOM 4680 C CG . ASN A 1 584 ? 1.673 42.823 79.462 1.00 78.75 ? 646 ASN A CG 1 ATOM 4681 O OD1 . ASN A 1 584 ? 2.350 42.619 78.454 1.00 78.32 ? 646 ASN A OD1 1 ATOM 4682 N ND2 . ASN A 1 584 ? 2.058 43.711 80.425 1.00 79.93 ? 646 ASN A ND2 1 ATOM 4683 N N . LEU A 1 585 ? 1.089 39.743 76.888 1.00 66.03 ? 647 LEU A N 1 ATOM 4684 C CA . LEU A 1 585 ? 1.878 38.593 76.438 1.00 60.78 ? 647 LEU A CA 1 ATOM 4685 C C . LEU A 1 585 ? 3.342 38.682 76.834 1.00 56.89 ? 647 LEU A C 1 ATOM 4686 O O . LEU A 1 585 ? 4.022 37.660 76.963 1.00 56.80 ? 647 LEU A O 1 ATOM 4687 C CB . LEU A 1 585 ? 1.756 38.403 74.913 1.00 60.10 ? 647 LEU A CB 1 ATOM 4688 C CG . LEU A 1 585 ? 2.183 39.461 73.873 1.00 63.14 ? 647 LEU A CG 1 ATOM 4689 C CD1 . LEU A 1 585 ? 3.693 39.538 73.675 1.00 59.16 ? 647 LEU A CD1 1 ATOM 4690 C CD2 . LEU A 1 585 ? 1.548 39.109 72.534 1.00 62.58 ? 647 LEU A CD2 1 ATOM 4691 N N . SER A 1 586 ? 3.797 39.920 77.013 1.00 58.29 ? 648 SER A N 1 ATOM 4692 C CA . SER A 1 586 ? 5.199 40.243 77.313 1.00 61.21 ? 648 SER A CA 1 ATOM 4693 C C . SER A 1 586 ? 5.691 39.702 78.647 1.00 63.85 ? 648 SER A C 1 ATOM 4694 O O . SER A 1 586 ? 6.891 39.605 78.870 1.00 63.59 ? 648 SER A O 1 ATOM 4695 C CB . SER A 1 586 ? 5.419 41.763 77.280 1.00 66.81 ? 648 SER A CB 1 ATOM 4696 O OG . SER A 1 586 ? 5.599 42.219 75.947 1.00 69.58 ? 648 SER A OG 1 ATOM 4697 N N . VAL A 1 587 ? 4.760 39.372 79.530 1.00 60.90 ? 649 VAL A N 1 ATOM 4698 C CA . VAL A 1 587 ? 5.054 38.757 80.821 1.00 59.54 ? 649 VAL A CA 1 ATOM 4699 C C . VAL A 1 587 ? 5.608 37.323 80.690 1.00 63.57 ? 649 VAL A C 1 ATOM 4700 O O . VAL A 1 587 ? 6.259 36.801 81.620 1.00 62.81 ? 649 VAL A O 1 ATOM 4701 C CB . VAL A 1 587 ? 3.775 38.777 81.689 1.00 66.54 ? 649 VAL A CB 1 ATOM 4702 C CG1 . VAL A 1 587 ? 3.934 37.975 82.967 1.00 67.30 ? 649 VAL A CG1 1 ATOM 4703 C CG2 . VAL A 1 587 ? 3.411 40.211 82.035 1.00 68.61 ? 649 VAL A CG2 1 ATOM 4704 N N . ILE A 1 588 ? 5.345 36.689 79.550 1.00 55.34 ? 650 ILE A N 1 ATOM 4705 C CA . ILE A 1 588 ? 5.818 35.330 79.304 1.00 52.29 ? 650 ILE A CA 1 ATOM 4706 C C . ILE A 1 588 ? 6.932 35.348 78.265 1.00 50.59 ? 650 ILE A C 1 ATOM 4707 O O . ILE A 1 588 ? 6.750 35.881 77.164 1.00 52.02 ? 650 ILE A O 1 ATOM 4708 C CB . ILE A 1 588 ? 4.674 34.405 78.856 1.00 50.46 ? 650 ILE A CB 1 ATOM 4709 C CG1 . ILE A 1 588 ? 3.668 34.244 80.002 1.00 51.08 ? 650 ILE A CG1 1 ATOM 4710 C CG2 . ILE A 1 588 ? 5.228 33.047 78.407 1.00 47.94 ? 650 ILE A CG2 1 ATOM 4711 C CD1 . ILE A 1 588 ? 2.349 33.635 79.583 1.00 52.14 ? 650 ILE A CD1 1 ATOM 4712 N N . PRO A 1 589 ? 8.095 34.769 78.608 1.00 49.83 ? 651 PRO A N 1 ATOM 4713 C CA . PRO A 1 589 ? 9.202 34.764 77.656 1.00 49.27 ? 651 PRO A CA 1 ATOM 4714 C C . PRO A 1 589 ? 8.787 34.255 76.279 1.00 45.73 ? 651 PRO A C 1 ATOM 4715 O O . PRO A 1 589 ? 7.984 33.338 76.181 1.00 47.80 ? 651 PRO A O 1 ATOM 4716 C CB . PRO A 1 589 ? 10.211 33.808 78.301 1.00 48.98 ? 651 PRO A CB 1 ATOM 4717 C CG . PRO A 1 589 ? 9.922 33.910 79.766 1.00 49.87 ? 651 PRO A CG 1 ATOM 4718 C CD . PRO A 1 589 ? 8.436 34.054 79.853 1.00 50.06 ? 651 PRO A CD 1 ATOM 4719 N N . VAL A 1 590 ? 9.355 34.844 75.229 1.00 47.97 ? 652 VAL A N 1 ATOM 4720 C CA . VAL A 1 590 ? 8.960 34.513 73.867 1.00 46.79 ? 652 VAL A CA 1 ATOM 4721 C C . VAL A 1 590 ? 9.090 33.013 73.553 1.00 43.89 ? 652 VAL A C 1 ATOM 4722 O O . VAL A 1 590 ? 8.221 32.434 72.915 1.00 42.96 ? 652 VAL A O 1 ATOM 4723 C CB . VAL A 1 590 ? 9.685 35.379 72.805 1.00 46.72 ? 652 VAL A CB 1 ATOM 4724 C CG1 . VAL A 1 590 ? 11.199 35.141 72.802 1.00 47.70 ? 652 VAL A CG1 1 ATOM 4725 C CG2 . VAL A 1 590 ? 9.098 35.126 71.420 1.00 47.97 ? 652 VAL A CG2 1 ATOM 4726 N N . ILE A 1 591 ? 10.147 32.370 74.016 1.00 40.95 ? 653 ILE A N 1 ATOM 4727 C CA . ILE A 1 591 ? 10.276 30.935 73.782 1.00 39.65 ? 653 ILE A CA 1 ATOM 4728 C C . ILE A 1 591 ? 9.128 30.165 74.445 1.00 39.30 ? 653 ILE A C 1 ATOM 4729 O O . ILE A 1 591 ? 8.625 29.190 73.893 1.00 39.78 ? 653 ILE A O 1 ATOM 4730 C CB . ILE A 1 591 ? 11.646 30.419 74.252 1.00 39.31 ? 653 ILE A CB 1 ATOM 4731 C CG1 . ILE A 1 591 ? 12.752 31.064 73.419 1.00 38.75 ? 653 ILE A CG1 1 ATOM 4732 C CG2 . ILE A 1 591 ? 11.734 28.912 74.133 1.00 42.59 ? 653 ILE A CG2 1 ATOM 4733 C CD1 . ILE A 1 591 ? 14.123 30.846 73.982 1.00 40.17 ? 653 ILE A CD1 1 ATOM 4734 N N . ASN A 1 592 ? 8.679 30.598 75.614 1.00 41.58 ? 654 ASN A N 1 ATOM 4735 C CA . ASN A 1 592 ? 7.553 29.890 76.231 1.00 41.33 ? 654 ASN A CA 1 ATOM 4736 C C . ASN A 1 592 ? 6.203 30.188 75.588 1.00 42.73 ? 654 ASN A C 1 ATOM 4737 O O . ASN A 1 592 ? 5.296 29.354 75.635 1.00 42.73 ? 654 ASN A O 1 ATOM 4738 C CB . ASN A 1 592 ? 7.512 30.127 77.724 1.00 41.10 ? 654 ASN A CB 1 ATOM 4739 C CG . ASN A 1 592 ? 8.688 29.504 78.425 1.00 42.57 ? 654 ASN A CG 1 ATOM 4740 O OD1 . ASN A 1 592 ? 9.661 30.176 78.718 1.00 41.11 ? 654 ASN A OD1 1 ATOM 4741 N ND2 . ASN A 1 592 ? 8.626 28.200 78.647 1.00 43.36 ? 654 ASN A ND2 1 ATOM 4742 N N . ARG A 1 593 ? 6.071 31.365 74.977 1.00 44.13 ? 655 ARG A N 1 ATOM 4743 C CA . ARG A 1 593 ? 4.884 31.661 74.183 1.00 44.51 ? 655 ARG A CA 1 ATOM 4744 C C . ARG A 1 593 ? 4.791 30.647 73.062 1.00 42.11 ? 655 ARG A C 1 ATOM 4745 O O . ARG A 1 593 ? 3.699 30.223 72.701 1.00 46.15 ? 655 ARG A O 1 ATOM 4746 C CB . ARG A 1 593 ? 4.910 33.095 73.638 1.00 45.93 ? 655 ARG A CB 1 ATOM 4747 C CG . ARG A 1 593 ? 5.110 34.136 74.724 1.00 49.04 ? 655 ARG A CG 1 ATOM 4748 C CD . ARG A 1 593 ? 4.494 35.502 74.439 1.00 52.98 ? 655 ARG A CD 1 ATOM 4749 N NE . ARG A 1 593 ? 5.167 36.268 73.385 1.00 51.87 ? 655 ARG A NE 1 ATOM 4750 C CZ . ARG A 1 593 ? 6.184 37.110 73.562 1.00 48.00 ? 655 ARG A CZ 1 ATOM 4751 N NH1 . ARG A 1 593 ? 6.710 37.308 74.760 1.00 53.06 ? 655 ARG A NH1 1 ATOM 4752 N NH2 . ARG A 1 593 ? 6.672 37.765 72.525 1.00 49.45 ? 655 ARG A NH2 1 ATOM 4753 N N . ALA A 1 594 ? 5.944 30.249 72.520 1.00 39.94 ? 656 ALA A N 1 ATOM 4754 C CA . ALA A 1 594 ? 5.995 29.215 71.485 1.00 38.96 ? 656 ALA A CA 1 ATOM 4755 C C . ALA A 1 594 ? 5.746 27.821 72.062 1.00 38.81 ? 656 ALA A C 1 ATOM 4756 O O . ALA A 1 594 ? 5.069 27.007 71.470 1.00 40.65 ? 656 ALA A O 1 ATOM 4757 C CB . ALA A 1 594 ? 7.345 29.247 70.798 1.00 36.73 ? 656 ALA A CB 1 ATOM 4758 N N . GLN A 1 595 ? 6.327 27.558 73.221 1.00 38.74 ? 657 GLN A N 1 ATOM 4759 C CA . GLN A 1 595 ? 6.214 26.273 73.906 1.00 39.58 ? 657 GLN A CA 1 ATOM 4760 C C . GLN A 1 595 ? 4.766 25.851 74.149 1.00 42.53 ? 657 GLN A C 1 ATOM 4761 O O . GLN A 1 595 ? 4.391 24.697 73.908 1.00 41.22 ? 657 GLN A O 1 ATOM 4762 C CB . GLN A 1 595 ? 6.956 26.363 75.239 1.00 39.72 ? 657 GLN A CB 1 ATOM 4763 C CG . GLN A 1 595 ? 6.848 25.143 76.135 1.00 39.68 ? 657 GLN A CG 1 ATOM 4764 C CD . GLN A 1 595 ? 6.881 25.519 77.605 1.00 41.36 ? 657 GLN A CD 1 ATOM 4765 O OE1 . GLN A 1 595 ? 6.416 26.584 77.982 1.00 41.17 ? 657 GLN A OE1 1 ATOM 4766 N NE2 . GLN A 1 595 ? 7.425 24.647 78.435 1.00 39.35 ? 657 GLN A NE2 1 ATOM 4767 N N . VAL A 1 596 ? 3.963 26.802 74.611 1.00 41.02 ? 658 VAL A N 1 ATOM 4768 C CA . VAL A 1 596 ? 2.571 26.587 74.904 1.00 42.40 ? 658 VAL A CA 1 ATOM 4769 C C . VAL A 1 596 ? 1.858 26.040 73.680 1.00 44.72 ? 658 VAL A C 1 ATOM 4770 O O . VAL A 1 596 ? 1.027 25.138 73.791 1.00 47.29 ? 658 VAL A O 1 ATOM 4771 C CB . VAL A 1 596 ? 1.946 27.933 75.366 1.00 46.68 ? 658 VAL A CB 1 ATOM 4772 C CG1 . VAL A 1 596 ? 0.461 27.953 75.163 1.00 52.46 ? 658 VAL A CG1 1 ATOM 4773 C CG2 . VAL A 1 596 ? 2.300 28.169 76.820 1.00 46.49 ? 658 VAL A CG2 1 ATOM 4774 N N . ILE A 1 597 ? 2.211 26.581 72.515 1.00 42.40 ? 659 ILE A N 1 ATOM 4775 C CA . ILE A 1 597 ? 1.666 26.107 71.236 1.00 43.37 ? 659 ILE A CA 1 ATOM 4776 C C . ILE A 1 597 ? 2.233 24.722 70.848 1.00 40.93 ? 659 ILE A C 1 ATOM 4777 O O . ILE A 1 597 ? 1.478 23.777 70.614 1.00 39.28 ? 659 ILE A O 1 ATOM 4778 C CB . ILE A 1 597 ? 1.903 27.147 70.129 1.00 43.61 ? 659 ILE A CB 1 ATOM 4779 C CG1 . ILE A 1 597 ? 1.176 28.458 70.502 1.00 46.60 ? 659 ILE A CG1 1 ATOM 4780 C CG2 . ILE A 1 597 ? 1.467 26.602 68.763 1.00 40.90 ? 659 ILE A CG2 1 ATOM 4781 C CD1 . ILE A 1 597 ? 1.315 29.593 69.499 1.00 48.89 ? 659 ILE A CD1 1 ATOM 4782 N N . TYR A 1 598 ? 3.561 24.612 70.780 1.00 39.04 ? 660 TYR A N 1 ATOM 4783 C CA . TYR A 1 598 ? 4.202 23.360 70.430 1.00 38.27 ? 660 TYR A CA 1 ATOM 4784 C C . TYR A 1 598 ? 3.699 22.192 71.280 1.00 39.48 ? 660 TYR A C 1 ATOM 4785 O O . TYR A 1 598 ? 3.277 21.138 70.760 1.00 37.23 ? 660 TYR A O 1 ATOM 4786 C CB . TYR A 1 598 ? 5.707 23.462 70.606 1.00 38.83 ? 660 TYR A CB 1 ATOM 4787 C CG . TYR A 1 598 ? 6.481 24.161 69.531 1.00 36.41 ? 660 TYR A CG 1 ATOM 4788 C CD1 . TYR A 1 598 ? 6.425 23.737 68.200 1.00 38.45 ? 660 TYR A CD1 1 ATOM 4789 C CD2 . TYR A 1 598 ? 7.323 25.211 69.850 1.00 37.20 ? 660 TYR A CD2 1 ATOM 4790 C CE1 . TYR A 1 598 ? 7.185 24.369 67.218 1.00 40.45 ? 660 TYR A CE1 1 ATOM 4791 C CE2 . TYR A 1 598 ? 8.086 25.845 68.875 1.00 39.47 ? 660 TYR A CE2 1 ATOM 4792 C CZ . TYR A 1 598 ? 8.005 25.420 67.563 1.00 37.66 ? 660 TYR A CZ 1 ATOM 4793 O OH . TYR A 1 598 ? 8.750 26.070 66.607 1.00 39.41 ? 660 TYR A OH 1 ATOM 4794 N N . ASP A 1 599 ? 3.766 22.383 72.592 1.00 40.16 ? 661 ASP A N 1 ATOM 4795 C CA . ASP A 1 599 ? 3.400 21.338 73.531 1.00 42.27 ? 661 ASP A CA 1 ATOM 4796 C C . ASP A 1 599 ? 1.917 20.957 73.399 1.00 40.32 ? 661 ASP A C 1 ATOM 4797 O O . ASP A 1 599 ? 1.586 19.774 73.315 1.00 43.53 ? 661 ASP A O 1 ATOM 4798 C CB . ASP A 1 599 ? 3.723 21.774 74.969 1.00 41.03 ? 661 ASP A CB 1 ATOM 4799 C CG . ASP A 1 599 ? 5.207 21.702 75.310 1.00 41.75 ? 661 ASP A CG 1 ATOM 4800 O OD1 . ASP A 1 599 ? 6.080 21.560 74.412 1.00 38.29 ? 661 ASP A OD1 1 ATOM 4801 O OD2 . ASP A 1 599 ? 5.496 21.775 76.527 1.00 38.22 ? 661 ASP A OD2 1 ATOM 4802 N N . SER A 1 600 ? 1.020 21.940 73.379 1.00 41.29 ? 662 SER A N 1 ATOM 4803 C CA . SER A 1 600 ? -0.391 21.613 73.396 1.00 43.67 ? 662 SER A CA 1 ATOM 4804 C C . SER A 1 600 ? -0.849 20.861 72.141 1.00 43.10 ? 662 SER A C 1 ATOM 4805 O O . SER A 1 600 ? -1.719 20.005 72.243 1.00 44.71 ? 662 SER A O 1 ATOM 4806 C CB . SER A 1 600 ? -1.254 22.861 73.668 1.00 46.08 ? 662 SER A CB 1 ATOM 4807 O OG . SER A 1 600 ? -1.132 23.844 72.659 1.00 46.05 ? 662 SER A OG 1 ATOM 4808 N N . PHE A 1 601 ? -0.263 21.136 70.968 1.00 42.72 ? 663 PHE A N 1 ATOM 4809 C CA . PHE A 1 601 ? -0.655 20.380 69.767 1.00 42.82 ? 663 PHE A CA 1 ATOM 4810 C C . PHE A 1 601 ? -0.151 18.945 69.856 1.00 41.88 ? 663 PHE A C 1 ATOM 4811 O O . PHE A 1 601 ? -0.837 18.020 69.447 1.00 39.30 ? 663 PHE A O 1 ATOM 4812 C CB . PHE A 1 601 ? -0.187 21.068 68.467 1.00 42.29 ? 663 PHE A CB 1 ATOM 4813 C CG . PHE A 1 601 ? -1.085 22.193 68.027 1.00 39.59 ? 663 PHE A CG 1 ATOM 4814 C CD1 . PHE A 1 601 ? -2.210 21.936 67.249 1.00 43.56 ? 663 PHE A CD1 1 ATOM 4815 C CD2 . PHE A 1 601 ? -0.831 23.495 68.411 1.00 42.19 ? 663 PHE A CD2 1 ATOM 4816 C CE1 . PHE A 1 601 ? -3.065 22.962 66.855 1.00 43.74 ? 663 PHE A CE1 1 ATOM 4817 C CE2 . PHE A 1 601 ? -1.676 24.534 68.023 1.00 42.87 ? 663 PHE A CE2 1 ATOM 4818 C CZ . PHE A 1 601 ? -2.795 24.270 67.241 1.00 42.47 ? 663 PHE A CZ 1 ATOM 4819 N N . ASN A 1 602 ? 1.041 18.750 70.413 1.00 40.53 ? 664 ASN A N 1 ATOM 4820 C CA . ASN A 1 602 ? 1.533 17.381 70.648 1.00 41.06 ? 664 ASN A CA 1 ATOM 4821 C C . ASN A 1 602 ? 0.645 16.627 71.667 1.00 41.47 ? 664 ASN A C 1 ATOM 4822 O O . ASN A 1 602 ? 0.306 15.451 71.486 1.00 42.37 ? 664 ASN A O 1 ATOM 4823 C CB . ASN A 1 602 ? 2.987 17.401 71.146 1.00 40.13 ? 664 ASN A CB 1 ATOM 4824 C CG . ASN A 1 602 ? 3.993 17.715 70.041 1.00 36.72 ? 664 ASN A CG 1 ATOM 4825 O OD1 . ASN A 1 602 ? 3.770 17.423 68.868 1.00 37.35 ? 664 ASN A OD1 1 ATOM 4826 N ND2 . ASN A 1 602 ? 5.109 18.304 70.420 1.00 34.40 ? 664 ASN A ND2 1 ATOM 4827 N N . LEU A 1 603 ? 0.299 17.312 72.747 1.00 41.92 ? 665 LEU A N 1 ATOM 4828 C CA . LEU A 1 603 ? -0.597 16.748 73.760 1.00 43.08 ? 665 LEU A CA 1 ATOM 4829 C C . LEU A 1 603 ? -1.967 16.378 73.171 1.00 43.70 ? 665 LEU A C 1 ATOM 4830 O O . LEU A 1 603 ? -2.537 15.332 73.501 1.00 48.84 ? 665 LEU A O 1 ATOM 4831 C CB . LEU A 1 603 ? -0.763 17.740 74.922 1.00 43.12 ? 665 LEU A CB 1 ATOM 4832 C CG . LEU A 1 603 ? 0.485 17.985 75.780 1.00 42.05 ? 665 LEU A CG 1 ATOM 4833 C CD1 . LEU A 1 603 ? 0.313 19.249 76.618 1.00 44.19 ? 665 LEU A CD1 1 ATOM 4834 C CD2 . LEU A 1 603 ? 0.781 16.777 76.643 1.00 38.80 ? 665 LEU A CD2 1 ATOM 4835 N N . ALA A 1 604 ? -2.486 17.220 72.283 1.00 43.46 ? 666 ALA A N 1 ATOM 4836 C CA . ALA A 1 604 ? -3.727 16.906 71.576 1.00 46.15 ? 666 ALA A CA 1 ATOM 4837 C C . ALA A 1 604 ? -3.575 15.645 70.725 1.00 48.04 ? 666 ALA A C 1 ATOM 4838 O O . ALA A 1 604 ? -4.433 14.770 70.771 1.00 47.93 ? 666 ALA A O 1 ATOM 4839 C CB . ALA A 1 604 ? -4.191 18.082 70.730 1.00 45.59 ? 666 ALA A CB 1 ATOM 4840 N N . THR A 1 605 ? -2.481 15.540 69.962 1.00 47.24 ? 667 THR A N 1 ATOM 4841 C CA . THR A 1 605 ? -2.193 14.336 69.181 1.00 45.27 ? 667 THR A CA 1 ATOM 4842 C C . THR A 1 605 ? -2.238 13.071 70.057 1.00 43.26 ? 667 THR A C 1 ATOM 4843 O O . THR A 1 605 ? -2.819 12.042 69.675 1.00 44.44 ? 667 THR A O 1 ATOM 4844 C CB . THR A 1 605 ? -0.805 14.460 68.509 1.00 42.45 ? 667 THR A CB 1 ATOM 4845 O OG1 . THR A 1 605 ? -0.796 15.602 67.656 1.00 39.74 ? 667 THR A OG1 1 ATOM 4846 C CG2 . THR A 1 605 ? -0.486 13.248 67.682 1.00 43.04 ? 667 THR A CG2 1 ATOM 4847 N N . ALA A 1 606 ? -1.620 13.168 71.237 1.00 45.32 ? 668 ALA A N 1 ATOM 4848 C CA . ALA A 1 606 ? -1.541 12.060 72.196 1.00 45.63 ? 668 ALA A CA 1 ATOM 4849 C C . ALA A 1 606 ? -2.804 11.935 73.053 1.00 44.15 ? 668 ALA A C 1 ATOM 4850 O O . ALA A 1 606 ? -2.852 11.120 73.959 1.00 47.12 ? 668 ALA A O 1 ATOM 4851 C CB . ALA A 1 606 ? -0.308 12.227 73.085 1.00 42.61 ? 668 ALA A CB 1 ATOM 4852 N N . HIS A 1 607 ? -3.815 12.746 72.754 1.00 44.83 ? 669 HIS A N 1 ATOM 4853 C CA . HIS A 1 607 ? -5.102 12.719 73.468 1.00 48.58 ? 669 HIS A CA 1 ATOM 4854 C C . HIS A 1 607 ? -5.037 13.128 74.930 1.00 51.66 ? 669 HIS A C 1 ATOM 4855 O O . HIS A 1 607 ? -5.855 12.676 75.736 1.00 54.20 ? 669 HIS A O 1 ATOM 4856 C CB . HIS A 1 607 ? -5.776 11.341 73.342 1.00 50.59 ? 669 HIS A CB 1 ATOM 4857 C CG . HIS A 1 607 ? -6.251 11.041 71.962 1.00 55.29 ? 669 HIS A CG 1 ATOM 4858 N ND1 . HIS A 1 607 ? -6.674 9.790 71.576 1.00 59.84 ? 669 HIS A ND1 1 ATOM 4859 C CD2 . HIS A 1 607 ? -6.361 11.830 70.868 1.00 53.54 ? 669 HIS A CD2 1 ATOM 4860 C CE1 . HIS A 1 607 ? -7.041 9.826 70.308 1.00 61.45 ? 669 HIS A CE1 1 ATOM 4861 N NE2 . HIS A 1 607 ? -6.859 11.051 69.857 1.00 57.02 ? 669 HIS A NE2 1 ATOM 4862 N N . MET A 1 608 ? -4.090 13.990 75.272 1.00 51.74 ? 670 MET A N 1 ATOM 4863 C CA . MET A 1 608 ? -3.962 14.454 76.654 1.00 48.46 ? 670 MET A CA 1 ATOM 4864 C C . MET A 1 608 ? -4.640 15.785 76.898 1.00 50.56 ? 670 MET A C 1 ATOM 4865 O O . MET A 1 608 ? -4.928 16.127 78.041 1.00 51.70 ? 670 MET A O 1 ATOM 4866 C CB . MET A 1 608 ? -2.491 14.537 77.038 1.00 47.91 ? 670 MET A CB 1 ATOM 4867 C CG . MET A 1 608 ? -1.834 13.176 77.074 1.00 49.07 ? 670 MET A CG 1 ATOM 4868 S SD . MET A 1 608 ? -0.088 13.291 77.510 1.00 48.98 ? 670 MET A SD 1 ATOM 4869 C CE . MET A 1 608 ? 0.338 11.547 77.542 1.00 48.88 ? 670 MET A CE 1 ATOM 4870 N N . VAL A 1 609 ? -4.869 16.549 75.831 1.00 49.70 ? 671 VAL A N 1 ATOM 4871 C CA . VAL A 1 609 ? -5.782 17.694 75.876 1.00 51.74 ? 671 VAL A CA 1 ATOM 4872 C C . VAL A 1 609 ? -6.718 17.642 74.662 1.00 51.07 ? 671 VAL A C 1 ATOM 4873 O O . VAL A 1 609 ? -6.395 16.985 73.673 1.00 52.82 ? 671 VAL A O 1 ATOM 4874 C CB . VAL A 1 609 ? -5.056 19.059 75.875 1.00 50.37 ? 671 VAL A CB 1 ATOM 4875 C CG1 . VAL A 1 609 ? -4.169 19.200 77.099 1.00 49.66 ? 671 VAL A CG1 1 ATOM 4876 C CG2 . VAL A 1 609 ? -4.249 19.268 74.596 1.00 50.01 ? 671 VAL A CG2 1 ATOM 4877 N N . PRO A 1 610 ? -7.858 18.347 74.721 1.00 53.57 ? 672 PRO A N 1 ATOM 4878 C CA . PRO A 1 610 ? -8.688 18.440 73.517 1.00 55.64 ? 672 PRO A CA 1 ATOM 4879 C C . PRO A 1 610 ? -8.001 19.274 72.453 1.00 55.39 ? 672 PRO A C 1 ATOM 4880 O O . PRO A 1 610 ? -7.223 20.185 72.778 1.00 52.09 ? 672 PRO A O 1 ATOM 4881 C CB . PRO A 1 610 ? -9.959 19.155 73.993 1.00 58.32 ? 672 PRO A CB 1 ATOM 4882 C CG . PRO A 1 610 ? -9.933 19.100 75.476 1.00 62.25 ? 672 PRO A CG 1 ATOM 4883 C CD . PRO A 1 610 ? -8.503 18.951 75.901 1.00 56.46 ? 672 PRO A CD 1 ATOM 4884 N N . VAL A 1 611 ? -8.285 18.968 71.188 1.00 52.25 ? 673 VAL A N 1 ATOM 4885 C CA . VAL A 1 611 ? -7.652 19.693 70.091 1.00 52.84 ? 673 VAL A CA 1 ATOM 4886 C C . VAL A 1 611 ? -8.022 21.182 70.169 1.00 52.72 ? 673 VAL A C 1 ATOM 4887 O O . VAL A 1 611 ? -7.238 22.035 69.752 1.00 49.66 ? 673 VAL A O 1 ATOM 4888 C CB . VAL A 1 611 ? -7.978 19.066 68.714 1.00 49.82 ? 673 VAL A CB 1 ATOM 4889 C CG1 . VAL A 1 611 ? -9.423 19.307 68.320 1.00 50.56 ? 673 VAL A CG1 1 ATOM 4890 C CG2 . VAL A 1 611 ? -7.040 19.606 67.633 1.00 48.03 ? 673 VAL A CG2 1 ATOM 4891 N N . THR A 1 612 ? -9.199 21.490 70.729 1.00 55.25 ? 674 THR A N 1 ATOM 4892 C CA . THR A 1 612 ? -9.648 22.872 70.862 1.00 54.12 ? 674 THR A CA 1 ATOM 4893 C C . THR A 1 612 ? -8.820 23.679 71.866 1.00 53.17 ? 674 THR A C 1 ATOM 4894 O O . THR A 1 612 ? -8.765 24.907 71.787 1.00 54.44 ? 674 THR A O 1 ATOM 4895 C CB . THR A 1 612 ? -11.134 22.961 71.286 1.00 57.23 ? 674 THR A CB 1 ATOM 4896 O OG1 . THR A 1 612 ? -11.341 22.240 72.512 1.00 60.58 ? 674 THR A OG1 1 ATOM 4897 C CG2 . THR A 1 612 ? -12.037 22.390 70.199 1.00 57.81 ? 674 THR A CG2 1 ATOM 4898 N N . LEU A 1 613 ? -8.216 22.997 72.835 1.00 51.44 ? 675 LEU A N 1 ATOM 4899 C CA . LEU A 1 613 ? -7.349 23.668 73.792 1.00 51.60 ? 675 LEU A CA 1 ATOM 4900 C C . LEU A 1 613 ? -6.064 24.122 73.085 1.00 51.41 ? 675 LEU A C 1 ATOM 4901 O O . LEU A 1 613 ? -5.593 25.249 73.292 1.00 54.94 ? 675 LEU A O 1 ATOM 4902 C CB . LEU A 1 613 ? -7.071 22.756 74.987 1.00 52.49 ? 675 LEU A CB 1 ATOM 4903 C CG . LEU A 1 613 ? -6.267 23.343 76.152 1.00 55.17 ? 675 LEU A CG 1 ATOM 4904 C CD1 . LEU A 1 613 ? -6.761 22.787 77.487 1.00 53.52 ? 675 LEU A CD1 1 ATOM 4905 C CD2 . LEU A 1 613 ? -4.755 23.117 75.990 1.00 53.59 ? 675 LEU A CD2 1 ATOM 4906 N N . ALA A 1 614 ? -5.518 23.264 72.228 1.00 48.90 ? 676 ALA A N 1 ATOM 4907 C CA . ALA A 1 614 ? -4.345 23.637 71.426 1.00 47.09 ? 676 ALA A CA 1 ATOM 4908 C C . ALA A 1 614 ? -4.683 24.827 70.538 1.00 47.84 ? 676 ALA A C 1 ATOM 4909 O O . ALA A 1 614 ? -3.919 25.780 70.463 1.00 45.94 ? 676 ALA A O 1 ATOM 4910 C CB . ALA A 1 614 ? -3.853 22.463 70.583 1.00 45.23 ? 676 ALA A CB 1 ATOM 4911 N N . LEU A 1 615 ? -5.844 24.773 69.886 1.00 53.28 ? 677 LEU A N 1 ATOM 4912 C CA . LEU A 1 615 ? -6.292 25.873 69.040 1.00 53.80 ? 677 LEU A CA 1 ATOM 4913 C C . LEU A 1 615 ? -6.482 27.161 69.838 1.00 57.41 ? 677 LEU A C 1 ATOM 4914 O O . LEU A 1 615 ? -6.057 28.241 69.396 1.00 52.75 ? 677 LEU A O 1 ATOM 4915 C CB . LEU A 1 615 ? -7.568 25.493 68.282 1.00 54.44 ? 677 LEU A CB 1 ATOM 4916 C CG . LEU A 1 615 ? -7.362 24.411 67.207 1.00 52.45 ? 677 LEU A CG 1 ATOM 4917 C CD1 . LEU A 1 615 ? -8.677 23.769 66.808 1.00 54.04 ? 677 LEU A CD1 1 ATOM 4918 C CD2 . LEU A 1 615 ? -6.659 24.984 65.984 1.00 47.91 ? 677 LEU A CD2 1 ATOM 4919 N N . ASP A 1 616 ? -7.109 27.038 71.009 1.00 53.10 ? 678 ASP A N 1 ATOM 4920 C CA . ASP A 1 616 ? -7.260 28.151 71.943 1.00 52.81 ? 678 ASP A CA 1 ATOM 4921 C C . ASP A 1 616 ? -5.919 28.870 72.212 1.00 52.35 ? 678 ASP A C 1 ATOM 4922 O O . ASP A 1 616 ? -5.883 30.089 72.370 1.00 52.36 ? 678 ASP A O 1 ATOM 4923 C CB . ASP A 1 616 ? -7.868 27.646 73.260 1.00 54.16 ? 678 ASP A CB 1 ATOM 4924 C CG . ASP A 1 616 ? -9.384 27.482 73.199 1.00 56.16 ? 678 ASP A CG 1 ATOM 4925 O OD1 . ASP A 1 616 ? -9.982 27.893 72.193 1.00 53.63 ? 678 ASP A OD1 1 ATOM 4926 O OD2 . ASP A 1 616 ? -9.975 26.946 74.165 1.00 61.71 ? 678 ASP A OD2 1 ATOM 4927 N N . ASN A 1 617 ? -4.825 28.104 72.258 1.00 51.57 ? 679 ASN A N 1 ATOM 4928 C CA . ASN A 1 617 ? -3.470 28.654 72.462 1.00 50.94 ? 679 ASN A CA 1 ATOM 4929 C C . ASN A 1 617 ? -2.903 29.452 71.289 1.00 49.18 ? 679 ASN A C 1 ATOM 4930 O O . ASN A 1 617 ? -1.810 29.995 71.389 1.00 51.27 ? 679 ASN A O 1 ATOM 4931 C CB . ASN A 1 617 ? -2.495 27.537 72.850 1.00 47.48 ? 679 ASN A CB 1 ATOM 4932 C CG . ASN A 1 617 ? -2.704 27.074 74.269 1.00 51.20 ? 679 ASN A CG 1 ATOM 4933 O OD1 . ASN A 1 617 ? -3.214 27.823 75.111 1.00 54.72 ? 679 ASN A OD1 1 ATOM 4934 N ND2 . ASN A 1 617 ? -2.322 25.846 74.547 1.00 48.48 ? 679 ASN A ND2 1 ATOM 4935 N N . THR A 1 618 ? -3.635 29.516 70.179 1.00 49.11 ? 680 THR A N 1 ATOM 4936 C CA . THR A 1 618 ? -3.218 30.354 69.059 1.00 50.20 ? 680 THR A CA 1 ATOM 4937 C C . THR A 1 618 ? -3.964 31.680 69.038 1.00 50.19 ? 680 THR A C 1 ATOM 4938 O O . THR A 1 618 ? -3.601 32.587 68.286 1.00 51.99 ? 680 THR A O 1 ATOM 4939 C CB . THR A 1 618 ? -3.380 29.651 67.694 1.00 48.93 ? 680 THR A CB 1 ATOM 4940 O OG1 . THR A 1 618 ? -4.769 29.469 67.362 1.00 47.90 ? 680 THR A OG1 1 ATOM 4941 C CG2 . THR A 1 618 ? -2.663 28.328 67.707 1.00 46.51 ? 680 THR A CG2 1 ATOM 4942 N N . LEU A 1 619 ? -4.991 31.795 69.873 1.00 52.39 ? 681 LEU A N 1 ATOM 4943 C CA . LEU A 1 619 ? -5.858 32.978 69.845 1.00 53.81 ? 681 LEU A CA 1 ATOM 4944 C C . LEU A 1 619 ? -5.088 34.258 70.156 1.00 57.79 ? 681 LEU A C 1 ATOM 4945 O O . LEU A 1 619 ? -5.440 35.325 69.663 1.00 55.58 ? 681 LEU A O 1 ATOM 4946 C CB . LEU A 1 619 ? -7.064 32.811 70.784 1.00 57.38 ? 681 LEU A CB 1 ATOM 4947 C CG . LEU A 1 619 ? -8.188 31.850 70.337 1.00 57.42 ? 681 LEU A CG 1 ATOM 4948 C CD1 . LEU A 1 619 ? -9.199 31.637 71.455 1.00 57.67 ? 681 LEU A CD1 1 ATOM 4949 C CD2 . LEU A 1 619 ? -8.895 32.339 69.075 1.00 55.00 ? 681 LEU A CD2 1 ATOM 4950 N N . PHE A 1 620 ? -4.020 34.151 70.947 1.00 57.58 ? 682 PHE A N 1 ATOM 4951 C CA . PHE A 1 620 ? -3.227 35.342 71.307 1.00 54.26 ? 682 PHE A CA 1 ATOM 4952 C C . PHE A 1 620 ? -2.398 35.905 70.150 1.00 52.80 ? 682 PHE A C 1 ATOM 4953 O O . PHE A 1 620 ? -1.922 37.036 70.222 1.00 53.32 ? 682 PHE A O 1 ATOM 4954 C CB . PHE A 1 620 ? -2.334 35.082 72.543 1.00 53.97 ? 682 PHE A CB 1 ATOM 4955 C CG . PHE A 1 620 ? -1.059 34.352 72.256 1.00 53.86 ? 682 PHE A CG 1 ATOM 4956 C CD1 . PHE A 1 620 ? -1.028 32.962 72.208 1.00 52.80 ? 682 PHE A CD1 1 ATOM 4957 C CD2 . PHE A 1 620 ? 0.127 35.055 72.086 1.00 53.95 ? 682 PHE A CD2 1 ATOM 4958 C CE1 . PHE A 1 620 ? 0.150 32.290 71.953 1.00 50.95 ? 682 PHE A CE1 1 ATOM 4959 C CE2 . PHE A 1 620 ? 1.315 34.385 71.828 1.00 55.11 ? 682 PHE A CE2 1 ATOM 4960 C CZ . PHE A 1 620 ? 1.326 33.003 71.768 1.00 51.11 ? 682 PHE A CZ 1 ATOM 4961 N N . LEU A 1 621 ? -2.242 35.134 69.080 1.00 54.83 ? 683 LEU A N 1 ATOM 4962 C CA . LEU A 1 621 ? -1.310 35.518 68.023 1.00 51.93 ? 683 LEU A CA 1 ATOM 4963 C C . LEU A 1 621 ? -1.658 36.818 67.303 1.00 47.30 ? 683 LEU A C 1 ATOM 4964 O O . LEU A 1 621 ? -0.776 37.430 66.713 1.00 49.09 ? 683 LEU A O 1 ATOM 4965 C CB . LEU A 1 621 ? -1.111 34.370 67.026 1.00 53.29 ? 683 LEU A CB 1 ATOM 4966 C CG . LEU A 1 621 ? -0.366 33.158 67.600 1.00 49.83 ? 683 LEU A CG 1 ATOM 4967 C CD1 . LEU A 1 621 ? -0.378 31.996 66.624 1.00 49.86 ? 683 LEU A CD1 1 ATOM 4968 C CD2 . LEU A 1 621 ? 1.068 33.514 67.984 1.00 50.51 ? 683 LEU A CD2 1 ATOM 4969 N N . ASN A 1 622 ? -2.912 37.262 67.363 1.00 55.92 ? 684 ASN A N 1 ATOM 4970 C CA . ASN A 1 622 ? -3.271 38.525 66.695 1.00 58.39 ? 684 ASN A CA 1 ATOM 4971 C C . ASN A 1 622 ? -2.465 39.718 67.224 1.00 63.01 ? 684 ASN A C 1 ATOM 4972 O O . ASN A 1 622 ? -2.243 40.697 66.499 1.00 62.38 ? 684 ASN A O 1 ATOM 4973 C CB . ASN A 1 622 ? -4.801 38.795 66.698 1.00 62.72 ? 684 ASN A CB 1 ATOM 4974 C CG . ASN A 1 622 ? -5.373 39.044 68.087 1.00 56.45 ? 684 ASN A CG 1 ATOM 4975 O OD1 . ASN A 1 622 ? -5.122 38.295 69.024 1.00 57.80 ? 684 ASN A OD1 1 ATOM 4976 N ND2 . ASN A 1 622 ? -6.184 40.083 68.209 1.00 66.80 ? 684 ASN A ND2 1 ATOM 4977 N N . GLY A 1 623 ? -2.010 39.619 68.475 1.00 54.42 ? 685 GLY A N 1 ATOM 4978 C CA . GLY A 1 623 ? -1.161 40.655 69.081 1.00 61.17 ? 685 GLY A CA 1 ATOM 4979 C C . GLY A 1 623 ? 0.311 40.272 69.180 1.00 59.85 ? 685 GLY A C 1 ATOM 4980 O O . GLY A 1 623 ? 1.104 41.001 69.785 1.00 59.44 ? 685 GLY A O 1 ATOM 4981 N N . GLU A 1 624 ? 0.687 39.138 68.583 1.00 57.12 ? 686 GLU A N 1 ATOM 4982 C CA . GLU A 1 624 ? 2.074 38.652 68.651 1.00 53.15 ? 686 GLU A CA 1 ATOM 4983 C C . GLU A 1 624 ? 2.908 39.190 67.496 1.00 50.82 ? 686 GLU A C 1 ATOM 4984 O O . GLU A 1 624 ? 2.534 39.043 66.333 1.00 54.85 ? 686 GLU A O 1 ATOM 4985 C CB . GLU A 1 624 ? 2.106 37.117 68.656 1.00 54.28 ? 686 GLU A CB 1 ATOM 4986 C CG . GLU A 1 624 ? 3.512 36.517 68.666 1.00 46.82 ? 686 GLU A CG 1 ATOM 4987 C CD . GLU A 1 624 ? 4.277 36.841 69.932 1.00 51.01 ? 686 GLU A CD 1 ATOM 4988 O OE1 . GLU A 1 624 ? 4.025 36.184 70.964 1.00 48.25 ? 686 GLU A OE1 1 ATOM 4989 O OE2 . GLU A 1 624 ? 5.135 37.751 69.892 1.00 52.72 ? 686 GLU A OE2 1 ATOM 4990 N N . LYS A 1 625 ? 4.039 39.805 67.811 1.00 48.61 ? 687 LYS A N 1 ATOM 4991 C CA . LYS A 1 625 ? 4.902 40.368 66.776 1.00 49.50 ? 687 LYS A CA 1 ATOM 4992 C C . LYS A 1 625 ? 6.160 39.532 66.526 1.00 50.06 ? 687 LYS A C 1 ATOM 4993 O O . LYS A 1 625 ? 6.874 39.723 65.529 1.00 50.53 ? 687 LYS A O 1 ATOM 4994 C CB . LYS A 1 625 ? 5.315 41.794 67.147 1.00 54.37 ? 687 LYS A CB 1 ATOM 4995 C CG . LYS A 1 625 ? 4.185 42.818 67.272 1.00 58.26 ? 687 LYS A CG 1 ATOM 4996 C CD . LYS A 1 625 ? 4.668 44.003 68.115 1.00 63.63 ? 687 LYS A CD 1 ATOM 4997 C CE . LYS A 1 625 ? 3.654 45.139 68.177 1.00 66.53 ? 687 LYS A CE 1 ATOM 4998 N NZ . LYS A 1 625 ? 2.249 44.704 68.448 1.00 72.91 ? 687 LYS A NZ 1 ATOM 4999 N N . GLU A 1 626 ? 6.447 38.603 67.426 1.00 48.89 ? 688 GLU A N 1 ATOM 5000 C CA . GLU A 1 626 ? 7.737 37.927 67.386 1.00 48.98 ? 688 GLU A CA 1 ATOM 5001 C C . GLU A 1 626 ? 7.663 36.631 66.607 1.00 46.35 ? 688 GLU A C 1 ATOM 5002 O O . GLU A 1 626 ? 6.592 36.044 66.429 1.00 45.57 ? 688 GLU A O 1 ATOM 5003 C CB . GLU A 1 626 ? 8.293 37.736 68.803 1.00 48.41 ? 688 GLU A CB 1 ATOM 5004 C CG . GLU A 1 626 ? 8.571 39.088 69.459 1.00 49.52 ? 688 GLU A CG 1 ATOM 5005 C CD . GLU A 1 626 ? 9.253 38.989 70.799 1.00 55.43 ? 688 GLU A CD 1 ATOM 5006 O OE1 . GLU A 1 626 ? 10.293 38.323 70.876 1.00 49.93 ? 688 GLU A OE1 1 ATOM 5007 O OE2 . GLU A 1 626 ? 8.761 39.601 71.783 1.00 57.96 ? 688 GLU A OE2 1 ATOM 5008 N N . TYR A 1 627 ? 8.820 36.209 66.128 1.00 44.18 ? 689 TYR A N 1 ATOM 5009 C CA . TYR A 1 627 ? 8.928 35.106 65.200 1.00 40.88 ? 689 TYR A CA 1 ATOM 5010 C C . TYR A 1 627 ? 8.430 33.796 65.787 1.00 42.11 ? 689 TYR A C 1 ATOM 5011 O O . TYR A 1 627 ? 7.582 33.121 65.193 1.00 42.65 ? 689 TYR A O 1 ATOM 5012 C CB . TYR A 1 627 ? 10.397 34.966 64.764 1.00 39.61 ? 689 TYR A CB 1 ATOM 5013 C CG . TYR A 1 627 ? 10.770 33.580 64.262 1.00 40.05 ? 689 TYR A CG 1 ATOM 5014 C CD1 . TYR A 1 627 ? 10.326 33.140 63.041 1.00 40.69 ? 689 TYR A CD1 1 ATOM 5015 C CD2 . TYR A 1 627 ? 11.585 32.722 65.021 1.00 41.33 ? 689 TYR A CD2 1 ATOM 5016 C CE1 . TYR A 1 627 ? 10.656 31.888 62.560 1.00 43.87 ? 689 TYR A CE1 1 ATOM 5017 C CE2 . TYR A 1 627 ? 11.930 31.461 64.555 1.00 39.53 ? 689 TYR A CE2 1 ATOM 5018 C CZ . TYR A 1 627 ? 11.460 31.060 63.309 1.00 41.68 ? 689 TYR A CZ 1 ATOM 5019 O OH . TYR A 1 627 ? 11.744 29.829 62.795 1.00 46.54 ? 689 TYR A OH 1 ATOM 5020 N N . MET A 1 628 ? 8.962 33.426 66.944 1.00 38.89 ? 690 MET A N 1 ATOM 5021 C CA . MET A 1 628 ? 8.866 32.025 67.362 1.00 42.58 ? 690 MET A CA 1 ATOM 5022 C C . MET A 1 628 ? 7.473 31.473 67.611 1.00 41.80 ? 690 MET A C 1 ATOM 5023 O O . MET A 1 628 ? 7.178 30.354 67.164 1.00 40.86 ? 690 MET A O 1 ATOM 5024 C CB . MET A 1 628 ? 9.788 31.671 68.525 1.00 42.09 ? 690 MET A CB 1 ATOM 5025 C CG . MET A 1 628 ? 9.966 30.158 68.639 1.00 43.26 ? 690 MET A CG 1 ATOM 5026 S SD . MET A 1 628 ? 11.009 29.562 69.980 1.00 42.13 ? 690 MET A SD 1 ATOM 5027 C CE . MET A 1 628 ? 12.570 30.352 69.621 1.00 37.71 ? 690 MET A CE 1 ATOM 5028 N N . PRO A 1 629 ? 6.623 32.220 68.331 1.00 42.58 ? 691 PRO A N 1 ATOM 5029 C CA . PRO A 1 629 ? 5.284 31.699 68.587 1.00 41.77 ? 691 PRO A CA 1 ATOM 5030 C C . PRO A 1 629 ? 4.479 31.559 67.304 1.00 40.11 ? 691 PRO A C 1 ATOM 5031 O O . PRO A 1 629 ? 3.726 30.600 67.165 1.00 42.34 ? 691 PRO A O 1 ATOM 5032 C CB . PRO A 1 629 ? 4.666 32.754 69.513 1.00 42.42 ? 691 PRO A CB 1 ATOM 5033 C CG . PRO A 1 629 ? 5.849 33.441 70.116 1.00 43.35 ? 691 PRO A CG 1 ATOM 5034 C CD . PRO A 1 629 ? 6.842 33.501 69.007 1.00 40.06 ? 691 PRO A CD 1 ATOM 5035 N N . TRP A 1 630 ? 4.654 32.484 66.364 1.00 40.23 ? 692 TRP A N 1 ATOM 5036 C CA . TRP A 1 630 ? 3.999 32.333 65.060 1.00 41.36 ? 692 TRP A CA 1 ATOM 5037 C C . TRP A 1 630 ? 4.531 31.101 64.324 1.00 38.76 ? 692 TRP A C 1 ATOM 5038 O O . TRP A 1 630 ? 3.757 30.364 63.738 1.00 40.87 ? 692 TRP A O 1 ATOM 5039 C CB . TRP A 1 630 ? 4.161 33.582 64.198 1.00 40.83 ? 692 TRP A CB 1 ATOM 5040 C CG . TRP A 1 630 ? 3.006 34.551 64.317 1.00 45.54 ? 692 TRP A CG 1 ATOM 5041 C CD1 . TRP A 1 630 ? 2.993 35.734 64.997 1.00 45.78 ? 692 TRP A CD1 1 ATOM 5042 C CD2 . TRP A 1 630 ? 1.708 34.400 63.752 1.00 46.43 ? 692 TRP A CD2 1 ATOM 5043 N NE1 . TRP A 1 630 ? 1.776 36.337 64.872 1.00 47.97 ? 692 TRP A NE1 1 ATOM 5044 C CE2 . TRP A 1 630 ? 0.966 35.543 64.106 1.00 50.23 ? 692 TRP A CE2 1 ATOM 5045 C CE3 . TRP A 1 630 ? 1.100 33.415 62.963 1.00 48.68 ? 692 TRP A CE3 1 ATOM 5046 C CZ2 . TRP A 1 630 ? -0.352 35.726 63.698 1.00 52.46 ? 692 TRP A CZ2 1 ATOM 5047 C CZ3 . TRP A 1 630 ? -0.186 33.596 62.560 1.00 49.93 ? 692 TRP A CZ3 1 ATOM 5048 C CH2 . TRP A 1 630 ? -0.915 34.743 62.928 1.00 50.54 ? 692 TRP A CH2 1 ATOM 5049 N N . GLN A 1 631 ? 5.840 30.865 64.390 1.00 39.49 ? 693 GLN A N 1 ATOM 5050 C CA . GLN A 1 631 ? 6.435 29.650 63.800 1.00 38.85 ? 693 GLN A CA 1 ATOM 5051 C C . GLN A 1 631 ? 5.877 28.375 64.408 1.00 37.69 ? 693 GLN A C 1 ATOM 5052 O O . GLN A 1 631 ? 5.600 27.412 63.713 1.00 39.96 ? 693 GLN A O 1 ATOM 5053 C CB . GLN A 1 631 ? 7.965 29.659 63.957 1.00 41.10 ? 693 GLN A CB 1 ATOM 5054 C CG . GLN A 1 631 ? 8.667 28.491 63.283 1.00 38.09 ? 693 GLN A CG 1 ATOM 5055 C CD . GLN A 1 631 ? 8.345 28.428 61.810 1.00 40.74 ? 693 GLN A CD 1 ATOM 5056 O OE1 . GLN A 1 631 ? 8.807 29.248 61.036 1.00 43.39 ? 693 GLN A OE1 1 ATOM 5057 N NE2 . GLN A 1 631 ? 7.508 27.480 61.423 1.00 42.96 ? 693 GLN A NE2 1 ATOM 5058 N N . ALA A 1 632 ? 5.698 28.378 65.717 1.00 40.90 ? 694 ALA A N 1 ATOM 5059 C CA . ALA A 1 632 ? 5.099 27.224 66.401 1.00 40.31 ? 694 ALA A CA 1 ATOM 5060 C C . ALA A 1 632 ? 3.705 26.915 65.862 1.00 37.88 ? 694 ALA A C 1 ATOM 5061 O O . ALA A 1 632 ? 3.357 25.755 65.624 1.00 39.57 ? 694 ALA A O 1 ATOM 5062 C CB . ALA A 1 632 ? 5.035 27.478 67.901 1.00 41.30 ? 694 ALA A CB 1 ATOM 5063 N N . ALA A 1 633 ? 2.898 27.958 65.702 1.00 38.78 ? 695 ALA A N 1 ATOM 5064 C CA . ALA A 1 633 ? 1.552 27.805 65.179 1.00 40.90 ? 695 ALA A CA 1 ATOM 5065 C C . ALA A 1 633 ? 1.576 27.270 63.746 1.00 40.70 ? 695 ALA A C 1 ATOM 5066 O O . ALA A 1 633 ? 0.864 26.315 63.413 1.00 39.67 ? 695 ALA A O 1 ATOM 5067 C CB . ALA A 1 633 ? 0.812 29.146 65.251 1.00 42.63 ? 695 ALA A CB 1 ATOM 5068 N N . LEU A 1 634 ? 2.435 27.863 62.918 1.00 40.62 ? 696 LEU A N 1 ATOM 5069 C CA . LEU A 1 634 ? 2.534 27.458 61.521 1.00 43.42 ? 696 LEU A CA 1 ATOM 5070 C C . LEU A 1 634 ? 3.022 26.014 61.338 1.00 40.41 ? 696 LEU A C 1 ATOM 5071 O O . LEU A 1 634 ? 2.445 25.271 60.541 1.00 39.95 ? 696 LEU A O 1 ATOM 5072 C CB . LEU A 1 634 ? 3.376 28.464 60.716 1.00 41.63 ? 696 LEU A CB 1 ATOM 5073 C CG . LEU A 1 634 ? 2.815 29.903 60.722 1.00 44.11 ? 696 LEU A CG 1 ATOM 5074 C CD1 . LEU A 1 634 ? 3.815 30.856 60.070 1.00 46.08 ? 696 LEU A CD1 1 ATOM 5075 C CD2 . LEU A 1 634 ? 1.446 30.004 60.056 1.00 43.06 ? 696 LEU A CD2 1 ATOM 5076 N N . SER A 1 635 ? 4.031 25.599 62.100 1.00 39.75 ? 697 SER A N 1 ATOM 5077 C CA . SER A 1 635 ? 4.495 24.209 62.084 1.00 39.98 ? 697 SER A CA 1 ATOM 5078 C C . SER A 1 635 ? 3.428 23.239 62.557 1.00 39.74 ? 697 SER A C 1 ATOM 5079 O O . SER A 1 635 ? 3.328 22.150 62.020 1.00 40.38 ? 697 SER A O 1 ATOM 5080 C CB . SER A 1 635 ? 5.706 24.020 63.002 1.00 41.00 ? 697 SER A CB 1 ATOM 5081 O OG . SER A 1 635 ? 6.797 24.768 62.530 1.00 42.17 ? 697 SER A OG 1 ATOM 5082 N N . SER A 1 636 ? 2.665 23.629 63.579 1.00 40.24 ? 698 SER A N 1 ATOM 5083 C CA . SER A 1 636 ? 1.697 22.731 64.210 1.00 39.72 ? 698 SER A CA 1 ATOM 5084 C C . SER A 1 636 ? 0.445 22.644 63.370 1.00 40.55 ? 698 SER A C 1 ATOM 5085 O O . SER A 1 636 ? -0.293 21.658 63.436 1.00 42.06 ? 698 SER A O 1 ATOM 5086 C CB . SER A 1 636 ? 1.345 23.224 65.621 1.00 41.95 ? 698 SER A CB 1 ATOM 5087 O OG . SER A 1 636 ? 2.512 23.366 66.431 1.00 43.61 ? 698 SER A OG 1 ATOM 5088 N N . LEU A 1 637 ? 0.212 23.670 62.559 1.00 41.94 ? 699 LEU A N 1 ATOM 5089 C CA . LEU A 1 637 ? -0.969 23.713 61.711 1.00 42.00 ? 699 LEU A CA 1 ATOM 5090 C C . LEU A 1 637 ? -0.772 23.280 60.255 1.00 46.49 ? 699 LEU A C 1 ATOM 5091 O O . LEU A 1 637 ? -1.765 23.148 59.516 1.00 42.54 ? 699 LEU A O 1 ATOM 5092 C CB . LEU A 1 637 ? -1.591 25.114 61.735 1.00 45.33 ? 699 LEU A CB 1 ATOM 5093 C CG . LEU A 1 637 ? -2.371 25.527 62.979 1.00 44.88 ? 699 LEU A CG 1 ATOM 5094 C CD1 . LEU A 1 637 ? -2.681 27.021 62.936 1.00 44.99 ? 699 LEU A CD1 1 ATOM 5095 C CD2 . LEU A 1 637 ? -3.658 24.739 63.114 1.00 44.96 ? 699 LEU A CD2 1 ATOM 5096 N N . SER A 1 638 ? 0.467 23.059 59.806 1.00 42.28 ? 700 SER A N 1 ATOM 5097 C CA . SER A 1 638 ? 0.639 22.632 58.416 1.00 44.88 ? 700 SER A CA 1 ATOM 5098 C C . SER A 1 638 ? -0.065 21.298 58.156 1.00 40.97 ? 700 SER A C 1 ATOM 5099 O O . SER A 1 638 ? -0.633 21.093 57.073 1.00 44.42 ? 700 SER A O 1 ATOM 5100 C CB . SER A 1 638 ? 2.119 22.616 57.986 1.00 44.43 ? 700 SER A CB 1 ATOM 5101 O OG . SER A 1 638 ? 2.793 21.681 58.759 1.00 46.88 ? 700 SER A OG 1 ATOM 5102 N N . TYR A 1 639 ? -0.050 20.406 59.143 1.00 41.31 ? 701 TYR A N 1 ATOM 5103 C CA . TYR A 1 639 ? -0.814 19.159 59.045 1.00 43.04 ? 701 TYR A CA 1 ATOM 5104 C C . TYR A 1 639 ? -2.320 19.407 58.892 1.00 44.38 ? 701 TYR A C 1 ATOM 5105 O O . TYR A 1 639 ? -3.007 18.710 58.129 1.00 45.56 ? 701 TYR A O 1 ATOM 5106 C CB . TYR A 1 639 ? -0.540 18.254 60.259 1.00 45.92 ? 701 TYR A CB 1 ATOM 5107 C CG . TYR A 1 639 ? -1.255 16.909 60.194 1.00 48.89 ? 701 TYR A CG 1 ATOM 5108 C CD1 . TYR A 1 639 ? -0.829 15.914 59.323 1.00 43.53 ? 701 TYR A CD1 1 ATOM 5109 C CD2 . TYR A 1 639 ? -2.364 16.649 61.004 1.00 45.30 ? 701 TYR A CD2 1 ATOM 5110 C CE1 . TYR A 1 639 ? -1.489 14.698 59.264 1.00 45.70 ? 701 TYR A CE1 1 ATOM 5111 C CE2 . TYR A 1 639 ? -3.024 15.445 60.952 1.00 43.48 ? 701 TYR A CE2 1 ATOM 5112 C CZ . TYR A 1 639 ? -2.590 14.466 60.089 1.00 44.02 ? 701 TYR A CZ 1 ATOM 5113 O OH . TYR A 1 639 ? -3.270 13.272 60.065 1.00 48.75 ? 701 TYR A OH 1 ATOM 5114 N N . PHE A 1 640 ? -2.841 20.397 59.606 1.00 44.17 ? 702 PHE A N 1 ATOM 5115 C CA . PHE A 1 640 ? -4.281 20.733 59.506 1.00 47.24 ? 702 PHE A CA 1 ATOM 5116 C C . PHE A 1 640 ? -4.610 21.190 58.096 1.00 43.67 ? 702 PHE A C 1 ATOM 5117 O O . PHE A 1 640 ? -5.644 20.858 57.528 1.00 47.18 ? 702 PHE A O 1 ATOM 5118 C CB . PHE A 1 640 ? -4.642 21.838 60.506 1.00 46.35 ? 702 PHE A CB 1 ATOM 5119 C CG . PHE A 1 640 ? -4.786 21.357 61.924 1.00 50.92 ? 702 PHE A CG 1 ATOM 5120 C CD1 . PHE A 1 640 ? -3.696 20.841 62.623 1.00 47.60 ? 702 PHE A CD1 1 ATOM 5121 C CD2 . PHE A 1 640 ? -6.022 21.431 62.574 1.00 52.77 ? 702 PHE A CD2 1 ATOM 5122 C CE1 . PHE A 1 640 ? -3.832 20.401 63.930 1.00 46.98 ? 702 PHE A CE1 1 ATOM 5123 C CE2 . PHE A 1 640 ? -6.163 20.997 63.883 1.00 52.06 ? 702 PHE A CE2 1 ATOM 5124 C CZ . PHE A 1 640 ? -5.067 20.485 64.562 1.00 50.92 ? 702 PHE A CZ 1 ATOM 5125 N N . SER A 1 641 ? -3.705 21.961 57.521 1.00 43.03 ? 703 SER A N 1 ATOM 5126 C CA . SER A 1 641 ? -3.892 22.434 56.160 1.00 45.22 ? 703 SER A CA 1 ATOM 5127 C C . SER A 1 641 ? -3.789 21.260 55.181 1.00 42.76 ? 703 SER A C 1 ATOM 5128 O O . SER A 1 641 ? -4.626 21.105 54.300 1.00 43.24 ? 703 SER A O 1 ATOM 5129 C CB . SER A 1 641 ? -2.864 23.517 55.858 1.00 47.34 ? 703 SER A CB 1 ATOM 5130 O OG . SER A 1 641 ? -2.973 23.937 54.524 1.00 55.95 ? 703 SER A OG 1 ATOM 5131 N N . LEU A 1 642 ? -2.799 20.401 55.379 1.00 44.61 ? 704 LEU A N 1 ATOM 5132 C CA . LEU A 1 642 ? -2.644 19.191 54.576 1.00 43.35 ? 704 LEU A CA 1 ATOM 5133 C C . LEU A 1 642 ? -3.871 18.304 54.568 1.00 45.54 ? 704 LEU A C 1 ATOM 5134 O O . LEU A 1 642 ? -4.270 17.761 53.525 1.00 48.94 ? 704 LEU A O 1 ATOM 5135 C CB . LEU A 1 642 ? -1.502 18.382 55.157 1.00 48.19 ? 704 LEU A CB 1 ATOM 5136 C CG . LEU A 1 642 ? -0.548 17.600 54.284 1.00 55.12 ? 704 LEU A CG 1 ATOM 5137 C CD1 . LEU A 1 642 ? -0.179 18.336 53.004 1.00 59.54 ? 704 LEU A CD1 1 ATOM 5138 C CD2 . LEU A 1 642 ? 0.691 17.374 55.147 1.00 56.79 ? 704 LEU A CD2 1 ATOM 5139 N N . MET A 1 643 ? -4.438 18.118 55.751 1.00 43.95 ? 705 MET A N 1 ATOM 5140 C CA . MET A 1 643 ? -5.627 17.300 55.900 1.00 47.71 ? 705 MET A CA 1 ATOM 5141 C C . MET A 1 643 ? -6.880 17.973 55.394 1.00 48.80 ? 705 MET A C 1 ATOM 5142 O O . MET A 1 643 ? -7.730 17.303 54.801 1.00 46.14 ? 705 MET A O 1 ATOM 5143 C CB . MET A 1 643 ? -5.830 16.893 57.358 1.00 51.54 ? 705 MET A CB 1 ATOM 5144 C CG . MET A 1 643 ? -4.768 15.945 57.904 1.00 46.36 ? 705 MET A CG 1 ATOM 5145 S SD . MET A 1 643 ? -4.628 14.402 56.987 1.00 50.80 ? 705 MET A SD 1 ATOM 5146 C CE . MET A 1 643 ? -3.277 14.739 55.841 1.00 47.27 ? 705 MET A CE 1 ATOM 5147 N N . PHE A 1 644 ? -7.012 19.282 55.622 1.00 46.34 ? 706 PHE A N 1 ATOM 5148 C CA . PHE A 1 644 ? -8.296 19.955 55.370 1.00 49.29 ? 706 PHE A CA 1 ATOM 5149 C C . PHE A 1 644 ? -8.386 20.886 54.172 1.00 46.29 ? 706 PHE A C 1 ATOM 5150 O O . PHE A 1 644 ? -9.453 21.384 53.895 1.00 48.58 ? 706 PHE A O 1 ATOM 5151 C CB . PHE A 1 644 ? -8.756 20.736 56.605 1.00 49.55 ? 706 PHE A CB 1 ATOM 5152 C CG . PHE A 1 644 ? -9.063 19.876 57.784 1.00 50.28 ? 706 PHE A CG 1 ATOM 5153 C CD1 . PHE A 1 644 ? -9.990 18.855 57.684 1.00 49.86 ? 706 PHE A CD1 1 ATOM 5154 C CD2 . PHE A 1 644 ? -8.415 20.086 58.997 1.00 48.81 ? 706 PHE A CD2 1 ATOM 5155 C CE1 . PHE A 1 644 ? -10.273 18.047 58.765 1.00 56.15 ? 706 PHE A CE1 1 ATOM 5156 C CE2 . PHE A 1 644 ? -8.693 19.290 60.100 1.00 50.35 ? 706 PHE A CE2 1 ATOM 5157 C CZ . PHE A 1 644 ? -9.626 18.267 59.981 1.00 52.91 ? 706 PHE A CZ 1 ATOM 5158 N N . ASP A 1 645 ? -7.304 21.131 53.448 1.00 48.86 ? 707 ASP A N 1 ATOM 5159 C CA . ASP A 1 645 ? -7.366 22.176 52.426 1.00 49.39 ? 707 ASP A CA 1 ATOM 5160 C C . ASP A 1 645 ? -8.217 21.852 51.203 1.00 50.22 ? 707 ASP A C 1 ATOM 5161 O O . ASP A 1 645 ? -8.349 22.681 50.318 1.00 48.61 ? 707 ASP A O 1 ATOM 5162 C CB . ASP A 1 645 ? -5.972 22.684 52.022 1.00 49.13 ? 707 ASP A CB 1 ATOM 5163 C CG . ASP A 1 645 ? -5.132 21.646 51.254 1.00 48.46 ? 707 ASP A CG 1 ATOM 5164 O OD1 . ASP A 1 645 ? -5.568 20.500 51.016 1.00 47.00 ? 707 ASP A OD1 1 ATOM 5165 O OD2 . ASP A 1 645 ? -4.007 22.011 50.895 1.00 44.46 ? 707 ASP A OD2 1 ATOM 5166 N N . ARG A 1 646 ? -8.811 20.659 51.165 1.00 52.44 ? 708 ARG A N 1 ATOM 5167 C CA . ARG A 1 646 ? -9.753 20.296 50.110 1.00 52.60 ? 708 ARG A CA 1 ATOM 5168 C C . ARG A 1 646 ? -11.187 20.165 50.640 1.00 54.45 ? 708 ARG A C 1 ATOM 5169 O O . ARG A 1 646 ? -12.085 19.760 49.910 1.00 56.05 ? 708 ARG A O 1 ATOM 5170 C CB . ARG A 1 646 ? -9.303 19.008 49.413 1.00 54.00 ? 708 ARG A CB 1 ATOM 5171 C CG . ARG A 1 646 ? -7.953 19.166 48.725 1.00 53.97 ? 708 ARG A CG 1 ATOM 5172 C CD . ARG A 1 646 ? -7.393 17.864 48.184 1.00 54.09 ? 708 ARG A CD 1 ATOM 5173 N NE . ARG A 1 646 ? -7.111 16.905 49.249 1.00 52.22 ? 708 ARG A NE 1 ATOM 5174 C CZ . ARG A 1 646 ? -6.917 15.602 49.048 1.00 51.07 ? 708 ARG A CZ 1 ATOM 5175 N NH1 . ARG A 1 646 ? -6.974 15.096 47.823 1.00 50.50 ? 708 ARG A NH1 1 ATOM 5176 N NH2 . ARG A 1 646 ? -6.672 14.799 50.072 1.00 53.31 ? 708 ARG A NH2 1 ATOM 5177 N N . SER A 1 647 ? -11.395 20.541 51.898 1.00 50.16 ? 709 SER A N 1 ATOM 5178 C CA . SER A 1 647 ? -12.649 20.275 52.571 1.00 50.08 ? 709 SER A CA 1 ATOM 5179 C C . SER A 1 647 ? -13.305 21.559 52.988 1.00 55.00 ? 709 SER A C 1 ATOM 5180 O O . SER A 1 647 ? -12.684 22.630 52.962 1.00 56.39 ? 709 SER A O 1 ATOM 5181 C CB . SER A 1 647 ? -12.403 19.435 53.815 1.00 50.34 ? 709 SER A CB 1 ATOM 5182 O OG . SER A 1 647 ? -11.777 20.216 54.825 1.00 51.08 ? 709 SER A OG 1 ATOM 5183 N N . GLU A 1 648 ? -14.554 21.422 53.432 1.00 57.31 ? 710 GLU A N 1 ATOM 5184 C CA . GLU A 1 648 ? -15.329 22.526 53.979 1.00 60.91 ? 710 GLU A CA 1 ATOM 5185 C C . GLU A 1 648 ? -14.686 23.191 55.199 1.00 57.65 ? 710 GLU A C 1 ATOM 5186 O O . GLU A 1 648 ? -15.153 24.236 55.632 1.00 64.24 ? 710 GLU A O 1 ATOM 5187 C CB . GLU A 1 648 ? -16.737 22.054 54.349 1.00 60.47 ? 710 GLU A CB 1 ATOM 5188 C CG . GLU A 1 648 ? -16.726 20.962 55.397 1.00 63.43 ? 710 GLU A CG 1 ATOM 5189 C CD . GLU A 1 648 ? -18.097 20.610 55.920 1.00 67.42 ? 710 GLU A CD 1 ATOM 5190 O OE1 . GLU A 1 648 ? -19.048 21.403 55.749 1.00 73.77 ? 710 GLU A OE1 1 ATOM 5191 O OE2 . GLU A 1 648 ? -18.215 19.525 56.524 1.00 73.88 ? 710 GLU A OE2 1 ATOM 5192 N N . VAL A 1 649 ? -13.635 22.603 55.758 1.00 53.43 ? 711 VAL A N 1 ATOM 5193 C CA . VAL A 1 649 ? -12.980 23.201 56.918 1.00 54.38 ? 711 VAL A CA 1 ATOM 5194 C C . VAL A 1 649 ? -12.098 24.378 56.493 1.00 54.77 ? 711 VAL A C 1 ATOM 5195 O O . VAL A 1 649 ? -11.801 25.273 57.290 1.00 51.35 ? 711 VAL A O 1 ATOM 5196 C CB . VAL A 1 649 ? -12.152 22.153 57.677 1.00 54.85 ? 711 VAL A CB 1 ATOM 5197 C CG1 . VAL A 1 649 ? -11.408 22.768 58.860 1.00 56.53 ? 711 VAL A CG1 1 ATOM 5198 C CG2 . VAL A 1 649 ? -13.050 21.029 58.160 1.00 63.67 ? 711 VAL A CG2 1 ATOM 5199 N N . TYR A 1 650 ? -11.703 24.394 55.227 1.00 53.50 ? 712 TYR A N 1 ATOM 5200 C CA . TYR A 1 650 ? -10.664 25.323 54.799 1.00 54.76 ? 712 TYR A CA 1 ATOM 5201 C C . TYR A 1 650 ? -11.090 26.782 54.787 1.00 53.97 ? 712 TYR A C 1 ATOM 5202 O O . TYR A 1 650 ? -10.304 27.650 55.161 1.00 53.64 ? 712 TYR A O 1 ATOM 5203 C CB . TYR A 1 650 ? -10.113 24.934 53.435 1.00 53.41 ? 712 TYR A CB 1 ATOM 5204 C CG . TYR A 1 650 ? -8.725 25.462 53.163 1.00 52.55 ? 712 TYR A CG 1 ATOM 5205 C CD1 . TYR A 1 650 ? -7.717 25.384 54.127 1.00 54.02 ? 712 TYR A CD1 1 ATOM 5206 C CD2 . TYR A 1 650 ? -8.408 26.003 51.931 1.00 54.46 ? 712 TYR A CD2 1 ATOM 5207 C CE1 . TYR A 1 650 ? -6.431 25.842 53.868 1.00 57.33 ? 712 TYR A CE1 1 ATOM 5208 C CE2 . TYR A 1 650 ? -7.133 26.472 51.660 1.00 56.10 ? 712 TYR A CE2 1 ATOM 5209 C CZ . TYR A 1 650 ? -6.152 26.391 52.627 1.00 52.92 ? 712 TYR A CZ 1 ATOM 5210 O OH . TYR A 1 650 ? -4.895 26.866 52.359 1.00 61.87 ? 712 TYR A OH 1 ATOM 5211 N N . GLY A 1 651 ? -12.316 27.061 54.345 1.00 55.96 ? 713 GLY A N 1 ATOM 5212 C CA . GLY A 1 651 ? -12.801 28.445 54.354 1.00 58.23 ? 713 GLY A CA 1 ATOM 5213 C C . GLY A 1 651 ? -12.607 29.117 55.706 1.00 57.59 ? 713 GLY A C 1 ATOM 5214 O O . GLY A 1 651 ? -11.920 30.137 55.809 1.00 55.10 ? 713 GLY A O 1 ATOM 5215 N N . PRO A 1 652 ? -13.210 28.539 56.759 1.00 62.37 ? 714 PRO A N 1 ATOM 5216 C CA . PRO A 1 652 ? -13.085 29.069 58.125 1.00 60.25 ? 714 PRO A CA 1 ATOM 5217 C C . PRO A 1 652 ? -11.649 29.058 58.659 1.00 55.94 ? 714 PRO A C 1 ATOM 5218 O O . PRO A 1 652 ? -11.262 29.967 59.396 1.00 58.76 ? 714 PRO A O 1 ATOM 5219 C CB . PRO A 1 652 ? -13.978 28.138 58.947 1.00 58.67 ? 714 PRO A CB 1 ATOM 5220 C CG . PRO A 1 652 ? -14.968 27.583 57.968 1.00 62.39 ? 714 PRO A CG 1 ATOM 5221 C CD . PRO A 1 652 ? -14.219 27.463 56.671 1.00 61.54 ? 714 PRO A CD 1 ATOM 5222 N N . MET A 1 653 ? -10.875 28.042 58.299 1.00 51.59 ? 715 MET A N 1 ATOM 5223 C CA . MET A 1 653 ? -9.447 28.019 58.655 1.00 53.18 ? 715 MET A CA 1 ATOM 5224 C C . MET A 1 653 ? -8.678 29.213 58.083 1.00 54.53 ? 715 MET A C 1 ATOM 5225 O O . MET A 1 653 ? -7.953 29.890 58.815 1.00 50.15 ? 715 MET A O 1 ATOM 5226 C CB . MET A 1 653 ? -8.786 26.710 58.219 1.00 52.05 ? 715 MET A CB 1 ATOM 5227 C CG . MET A 1 653 ? -7.316 26.618 58.595 1.00 49.93 ? 715 MET A CG 1 ATOM 5228 S SD . MET A 1 653 ? -6.623 24.971 58.336 1.00 51.71 ? 715 MET A SD 1 ATOM 5229 C CE . MET A 1 653 ? -4.915 25.240 58.825 1.00 45.41 ? 715 MET A CE 1 ATOM 5230 N N . LYS A 1 654 ? -8.824 29.455 56.781 1.00 51.12 ? 716 LYS A N 1 ATOM 5231 C CA . LYS A 1 654 ? -8.170 30.598 56.136 1.00 54.17 ? 716 LYS A CA 1 ATOM 5232 C C . LYS A 1 654 ? -8.683 31.895 56.725 1.00 55.40 ? 716 LYS A C 1 ATOM 5233 O O . LYS A 1 654 ? -7.895 32.815 56.976 1.00 55.24 ? 716 LYS A O 1 ATOM 5234 C CB . LYS A 1 654 ? -8.439 30.638 54.630 1.00 55.95 ? 716 LYS A CB 1 ATOM 5235 C CG . LYS A 1 654 ? -7.703 29.590 53.812 1.00 57.26 ? 716 LYS A CG 1 ATOM 5236 C CD . LYS A 1 654 ? -8.405 29.424 52.475 1.00 59.30 ? 716 LYS A CD 1 ATOM 5237 C CE . LYS A 1 654 ? -7.816 30.292 51.401 1.00 58.54 ? 716 LYS A CE 1 ATOM 5238 N NZ . LYS A 1 654 ? -8.673 30.130 50.204 1.00 62.29 ? 716 LYS A NZ 1 ATOM 5239 N N . LYS A 1 655 ? -10.005 31.978 56.913 1.00 50.55 ? 717 LYS A N 1 ATOM 5240 C CA . LYS A 1 655 ? -10.606 33.163 57.511 1.00 56.82 ? 717 LYS A CA 1 ATOM 5241 C C . LYS A 1 655 ? -9.984 33.435 58.896 1.00 54.45 ? 717 LYS A C 1 ATOM 5242 O O . LYS A 1 655 ? -9.597 34.564 59.199 1.00 54.91 ? 717 LYS A O 1 ATOM 5243 C CB . LYS A 1 655 ? -12.147 33.047 57.565 1.00 60.47 ? 717 LYS A CB 1 ATOM 5244 C CG . LYS A 1 655 ? -12.837 34.378 57.757 1.00 62.18 ? 717 LYS A CG 1 ATOM 5245 C CD . LYS A 1 655 ? -14.359 34.246 57.650 1.00 69.67 ? 717 LYS A CD 1 ATOM 5246 C CE . LYS A 1 655 ? -15.065 35.497 58.145 1.00 67.78 ? 717 LYS A CE 1 ATOM 5247 N NZ . LYS A 1 655 ? -16.444 35.178 58.618 1.00 73.87 ? 717 LYS A NZ 1 ATOM 5248 N N . TYR A 1 656 ? -9.823 32.392 59.705 1.00 56.87 ? 718 TYR A N 1 ATOM 5249 C CA . TYR A 1 656 ? -9.233 32.544 61.021 1.00 54.14 ? 718 TYR A CA 1 ATOM 5250 C C . TYR A 1 656 ? -7.785 33.047 60.929 1.00 57.07 ? 718 TYR A C 1 ATOM 5251 O O . TYR A 1 656 ? -7.390 33.961 61.663 1.00 53.42 ? 718 TYR A O 1 ATOM 5252 C CB . TYR A 1 656 ? -9.284 31.219 61.781 1.00 57.04 ? 718 TYR A CB 1 ATOM 5253 C CG . TYR A 1 656 ? -8.521 31.258 63.087 1.00 58.97 ? 718 TYR A CG 1 ATOM 5254 C CD1 . TYR A 1 656 ? -8.982 32.027 64.154 1.00 58.82 ? 718 TYR A CD1 1 ATOM 5255 C CD2 . TYR A 1 656 ? -7.340 30.535 63.256 1.00 58.45 ? 718 TYR A CD2 1 ATOM 5256 C CE1 . TYR A 1 656 ? -8.289 32.079 65.354 1.00 58.26 ? 718 TYR A CE1 1 ATOM 5257 C CE2 . TYR A 1 656 ? -6.633 30.574 64.456 1.00 54.28 ? 718 TYR A CE2 1 ATOM 5258 C CZ . TYR A 1 656 ? -7.114 31.357 65.501 1.00 58.78 ? 718 TYR A CZ 1 ATOM 5259 O OH . TYR A 1 656 ? -6.432 31.419 66.700 1.00 53.52 ? 718 TYR A OH 1 ATOM 5260 N N . LEU A 1 657 ? -7.002 32.459 60.026 1.00 51.26 ? 719 LEU A N 1 ATOM 5261 C CA . LEU A 1 657 ? -5.595 32.857 59.879 1.00 52.24 ? 719 LEU A CA 1 ATOM 5262 C C . LEU A 1 657 ? -5.440 34.266 59.304 1.00 52.91 ? 719 LEU A C 1 ATOM 5263 O O . LEU A 1 657 ? -4.558 35.002 59.724 1.00 53.89 ? 719 LEU A O 1 ATOM 5264 C CB . LEU A 1 657 ? -4.805 31.831 59.070 1.00 49.20 ? 719 LEU A CB 1 ATOM 5265 C CG . LEU A 1 657 ? -4.614 30.500 59.819 1.00 50.95 ? 719 LEU A CG 1 ATOM 5266 C CD1 . LEU A 1 657 ? -4.122 29.375 58.911 1.00 52.80 ? 719 LEU A CD1 1 ATOM 5267 C CD2 . LEU A 1 657 ? -3.684 30.653 61.016 1.00 50.15 ? 719 LEU A CD2 1 ATOM 5268 N N . ARG A 1 658 ? -6.306 34.650 58.373 1.00 53.10 ? 720 ARG A N 1 ATOM 5269 C CA . ARG A 1 658 ? -6.341 36.045 57.925 1.00 53.44 ? 720 ARG A CA 1 ATOM 5270 C C . ARG A 1 658 ? -6.566 37.021 59.083 1.00 58.84 ? 720 ARG A C 1 ATOM 5271 O O . ARG A 1 658 ? -5.900 38.051 59.165 1.00 54.81 ? 720 ARG A O 1 ATOM 5272 C CB . ARG A 1 658 ? -7.443 36.266 56.906 1.00 55.68 ? 720 ARG A CB 1 ATOM 5273 C CG . ARG A 1 658 ? -7.056 35.907 55.494 1.00 59.00 ? 720 ARG A CG 1 ATOM 5274 C CD . ARG A 1 658 ? -7.941 36.643 54.500 1.00 62.26 ? 720 ARG A CD 1 ATOM 5275 N NE . ARG A 1 658 ? -9.361 36.300 54.641 1.00 63.94 ? 720 ARG A NE 1 ATOM 5276 C CZ . ARG A 1 658 ? -9.950 35.208 54.152 1.00 67.42 ? 720 ARG A CZ 1 ATOM 5277 N NH1 . ARG A 1 658 ? -9.265 34.292 53.472 1.00 65.63 ? 720 ARG A NH1 1 ATOM 5278 N NH2 . ARG A 1 658 ? -11.252 35.032 54.348 1.00 65.35 ? 720 ARG A NH2 1 ATOM 5279 N N . LYS A 1 659 ? -7.513 36.699 59.960 1.00 61.99 ? 721 LYS A N 1 ATOM 5280 C CA . LYS A 1 659 ? -7.843 37.554 61.104 1.00 60.39 ? 721 LYS A CA 1 ATOM 5281 C C . LYS A 1 659 ? -6.655 37.699 62.046 1.00 56.97 ? 721 LYS A C 1 ATOM 5282 O O . LYS A 1 659 ? -6.358 38.783 62.550 1.00 58.76 ? 721 LYS A O 1 ATOM 5283 C CB . LYS A 1 659 ? -9.014 36.955 61.868 1.00 61.01 ? 721 LYS A CB 1 ATOM 5284 C CG . LYS A 1 659 ? -9.442 37.746 63.092 1.00 61.57 ? 721 LYS A CG 1 ATOM 5285 C CD . LYS A 1 659 ? -10.459 36.963 63.895 1.00 65.71 ? 721 LYS A CD 1 ATOM 5286 C CE . LYS A 1 659 ? -11.306 37.905 64.724 1.00 69.01 ? 721 LYS A CE 1 ATOM 5287 N NZ . LYS A 1 659 ? -12.473 37.188 65.298 1.00 76.86 ? 721 LYS A NZ 1 ATOM 5288 N N . GLN A 1 660 ? -5.990 36.586 62.294 1.00 52.73 ? 722 GLN A N 1 ATOM 5289 C CA . GLN A 1 660 ? -4.844 36.565 63.192 1.00 55.55 ? 722 GLN A CA 1 ATOM 5290 C C . GLN A 1 660 ? -3.616 37.270 62.631 1.00 56.51 ? 722 GLN A C 1 ATOM 5291 O O . GLN A 1 660 ? -2.859 37.900 63.375 1.00 55.81 ? 722 GLN A O 1 ATOM 5292 C CB . GLN A 1 660 ? -4.492 35.127 63.542 1.00 54.08 ? 722 GLN A CB 1 ATOM 5293 C CG . GLN A 1 660 ? -5.562 34.404 64.347 1.00 56.77 ? 722 GLN A CG 1 ATOM 5294 C CD . GLN A 1 660 ? -5.918 35.120 65.635 1.00 54.97 ? 722 GLN A CD 1 ATOM 5295 O OE1 . GLN A 1 660 ? -6.629 36.111 65.618 1.00 60.33 ? 722 GLN A OE1 1 ATOM 5296 N NE2 . GLN A 1 660 ? -5.434 34.605 66.759 1.00 55.20 ? 722 GLN A NE2 1 ATOM 5297 N N . VAL A 1 661 ? -3.414 37.167 61.327 1.00 49.56 ? 723 VAL A N 1 ATOM 5298 C CA . VAL A 1 661 ? -2.195 37.676 60.750 1.00 49.85 ? 723 VAL A CA 1 ATOM 5299 C C . VAL A 1 661 ? -2.307 39.118 60.264 1.00 52.64 ? 723 VAL A C 1 ATOM 5300 O O . VAL A 1 661 ? -1.287 39.796 60.130 1.00 51.13 ? 723 VAL A O 1 ATOM 5301 C CB . VAL A 1 661 ? -1.678 36.757 59.633 1.00 52.52 ? 723 VAL A CB 1 ATOM 5302 C CG1 . VAL A 1 661 ? -2.403 36.998 58.325 1.00 51.19 ? 723 VAL A CG1 1 ATOM 5303 C CG2 . VAL A 1 661 ? -0.182 36.950 59.453 1.00 51.85 ? 723 VAL A CG2 1 ATOM 5304 N N . GLU A 1 662 ? -3.528 39.587 60.001 1.00 54.58 ? 724 GLU A N 1 ATOM 5305 C CA . GLU A 1 662 ? -3.707 40.935 59.474 1.00 58.67 ? 724 GLU A CA 1 ATOM 5306 C C . GLU A 1 662 ? -3.001 42.022 60.317 1.00 56.67 ? 724 GLU A C 1 ATOM 5307 O O . GLU A 1 662 ? -2.310 42.874 59.746 1.00 56.13 ? 724 GLU A O 1 ATOM 5308 C CB . GLU A 1 662 ? -5.185 41.277 59.291 1.00 58.16 ? 724 GLU A CB 1 ATOM 5309 C CG . GLU A 1 662 ? -5.410 42.551 58.489 1.00 59.95 ? 724 GLU A CG 1 ATOM 5310 C CD . GLU A 1 662 ? -6.879 42.792 58.202 1.00 72.29 ? 724 GLU A CD 1 ATOM 5311 O OE1 . GLU A 1 662 ? -7.195 43.397 57.157 1.00 67.92 ? 724 GLU A OE1 1 ATOM 5312 O OE2 . GLU A 1 662 ? -7.734 42.368 59.016 1.00 77.61 ? 724 GLU A OE2 1 ATOM 5313 N N . PRO A 1 663 ? -3.171 42.006 61.663 1.00 54.77 ? 725 PRO A N 1 ATOM 5314 C CA . PRO A 1 663 ? -2.524 43.048 62.467 1.00 61.45 ? 725 PRO A CA 1 ATOM 5315 C C . PRO A 1 663 ? -0.992 42.989 62.379 1.00 59.89 ? 725 PRO A C 1 ATOM 5316 O O . PRO A 1 663 ? -0.317 44.022 62.419 1.00 57.22 ? 725 PRO A O 1 ATOM 5317 C CB . PRO A 1 663 ? -3.018 42.760 63.890 1.00 61.48 ? 725 PRO A CB 1 ATOM 5318 C CG . PRO A 1 663 ? -4.286 41.997 63.707 1.00 61.70 ? 725 PRO A CG 1 ATOM 5319 C CD . PRO A 1 663 ? -4.018 41.140 62.501 1.00 60.17 ? 725 PRO A CD 1 ATOM 5320 N N . LEU A 1 664 ? -0.453 41.788 62.234 1.00 56.26 ? 726 LEU A N 1 ATOM 5321 C CA . LEU A 1 664 ? 0.981 41.659 62.020 1.00 56.31 ? 726 LEU A CA 1 ATOM 5322 C C . LEU A 1 664 ? 1.410 42.187 60.648 1.00 54.26 ? 726 LEU A C 1 ATOM 5323 O O . LEU A 1 664 ? 2.386 42.922 60.553 1.00 51.16 ? 726 LEU A O 1 ATOM 5324 C CB . LEU A 1 664 ? 1.425 40.210 62.180 1.00 54.85 ? 726 LEU A CB 1 ATOM 5325 C CG . LEU A 1 664 ? 2.926 40.048 62.376 1.00 52.72 ? 726 LEU A CG 1 ATOM 5326 C CD1 . LEU A 1 664 ? 3.444 40.979 63.472 1.00 53.76 ? 726 LEU A CD1 1 ATOM 5327 C CD2 . LEU A 1 664 ? 3.220 38.597 62.717 1.00 57.66 ? 726 LEU A CD2 1 ATOM 5328 N N . PHE A 1 665 ? 0.689 41.797 59.599 1.00 54.59 ? 727 PHE A N 1 ATOM 5329 C CA . PHE A 1 665 ? 0.919 42.332 58.266 1.00 51.45 ? 727 PHE A CA 1 ATOM 5330 C C . PHE A 1 665 ? 0.927 43.846 58.301 1.00 57.49 ? 727 PHE A C 1 ATOM 5331 O O . PHE A 1 665 ? 1.796 44.477 57.704 1.00 58.49 ? 727 PHE A O 1 ATOM 5332 C CB . PHE A 1 665 ? -0.163 41.886 57.295 1.00 51.92 ? 727 PHE A CB 1 ATOM 5333 C CG . PHE A 1 665 ? 0.087 42.322 55.884 1.00 55.53 ? 727 PHE A CG 1 ATOM 5334 C CD1 . PHE A 1 665 ? 0.862 41.545 55.023 1.00 54.91 ? 727 PHE A CD1 1 ATOM 5335 C CD2 . PHE A 1 665 ? -0.435 43.503 55.413 1.00 55.95 ? 727 PHE A CD2 1 ATOM 5336 C CE1 . PHE A 1 665 ? 1.092 41.950 53.715 1.00 53.63 ? 727 PHE A CE1 1 ATOM 5337 C CE2 . PHE A 1 665 ? -0.213 43.913 54.106 1.00 59.79 ? 727 PHE A CE2 1 ATOM 5338 C CZ . PHE A 1 665 ? 0.541 43.136 53.253 1.00 55.35 ? 727 PHE A CZ 1 ATOM 5339 N N . GLN A 1 666 ? -0.075 44.413 58.974 1.00 59.37 ? 728 GLN A N 1 ATOM 5340 C CA . GLN A 1 666 ? -0.220 45.867 59.102 1.00 64.31 ? 728 GLN A CA 1 ATOM 5341 C C . GLN A 1 666 ? 0.979 46.482 59.804 1.00 64.54 ? 728 GLN A C 1 ATOM 5342 O O . GLN A 1 666 ? 1.486 47.533 59.391 1.00 59.02 ? 728 GLN A O 1 ATOM 5343 C CB . GLN A 1 666 ? -1.498 46.220 59.887 1.00 68.45 ? 728 GLN A CB 1 ATOM 5344 C CG . GLN A 1 666 ? -2.768 46.169 59.056 1.00 77.30 ? 728 GLN A CG 1 ATOM 5345 C CD . GLN A 1 666 ? -2.647 46.973 57.772 1.00 89.41 ? 728 GLN A CD 1 ATOM 5346 O OE1 . GLN A 1 666 ? -2.623 48.212 57.799 1.00 101.62 ? 728 GLN A OE1 1 ATOM 5347 N NE2 . GLN A 1 666 ? -2.558 46.272 56.635 1.00 90.38 ? 728 GLN A NE2 1 ATOM 5348 N N . HIS A 1 667 ? 1.409 45.814 60.872 1.00 62.86 ? 729 HIS A N 1 ATOM 5349 C CA . HIS A 1 667 ? 2.534 46.264 61.675 1.00 63.98 ? 729 HIS A CA 1 ATOM 5350 C C . HIS A 1 667 ? 3.780 46.421 60.812 1.00 64.35 ? 729 HIS A C 1 ATOM 5351 O O . HIS A 1 667 ? 4.411 47.479 60.818 1.00 64.59 ? 729 HIS A O 1 ATOM 5352 C CB . HIS A 1 667 ? 2.779 45.269 62.799 1.00 67.47 ? 729 HIS A CB 1 ATOM 5353 C CG . HIS A 1 667 ? 4.118 45.396 63.450 1.00 68.51 ? 729 HIS A CG 1 ATOM 5354 N ND1 . HIS A 1 667 ? 4.414 46.393 64.355 1.00 66.05 ? 729 HIS A ND1 1 ATOM 5355 C CD2 . HIS A 1 667 ? 5.225 44.627 63.357 1.00 61.68 ? 729 HIS A CD2 1 ATOM 5356 C CE1 . HIS A 1 667 ? 5.655 46.242 64.777 1.00 65.12 ? 729 HIS A CE1 1 ATOM 5357 N NE2 . HIS A 1 667 ? 6.168 45.174 64.194 1.00 59.48 ? 729 HIS A NE2 1 ATOM 5358 N N . PHE A 1 668 ? 4.107 45.378 60.052 1.00 55.99 ? 730 PHE A N 1 ATOM 5359 C CA . PHE A 1 668 ? 5.301 45.392 59.223 1.00 55.05 ? 730 PHE A CA 1 ATOM 5360 C C . PHE A 1 668 ? 5.173 46.399 58.098 1.00 57.18 ? 730 PHE A C 1 ATOM 5361 O O . PHE A 1 668 ? 6.137 47.074 57.760 1.00 54.85 ? 730 PHE A O 1 ATOM 5362 C CB . PHE A 1 668 ? 5.648 43.988 58.707 1.00 49.79 ? 730 PHE A CB 1 ATOM 5363 C CG . PHE A 1 668 ? 6.266 43.117 59.753 1.00 52.06 ? 730 PHE A CG 1 ATOM 5364 C CD1 . PHE A 1 668 ? 7.444 43.501 60.381 1.00 52.32 ? 730 PHE A CD1 1 ATOM 5365 C CD2 . PHE A 1 668 ? 5.680 41.923 60.127 1.00 54.74 ? 730 PHE A CD2 1 ATOM 5366 C CE1 . PHE A 1 668 ? 8.013 42.711 61.370 1.00 56.09 ? 730 PHE A CE1 1 ATOM 5367 C CE2 . PHE A 1 668 ? 6.252 41.127 61.106 1.00 53.32 ? 730 PHE A CE2 1 ATOM 5368 C CZ . PHE A 1 668 ? 7.417 41.524 61.731 1.00 51.19 ? 730 PHE A CZ 1 ATOM 5369 N N . GLU A 1 669 ? 3.971 46.524 57.550 1.00 60.39 ? 731 GLU A N 1 ATOM 5370 C CA . GLU A 1 669 ? 3.716 47.516 56.516 1.00 60.19 ? 731 GLU A CA 1 ATOM 5371 C C . GLU A 1 669 ? 4.172 48.896 56.948 1.00 59.65 ? 731 GLU A C 1 ATOM 5372 O O . GLU A 1 669 ? 4.826 49.596 56.176 1.00 62.98 ? 731 GLU A O 1 ATOM 5373 C CB . GLU A 1 669 ? 2.236 47.568 56.180 1.00 64.78 ? 731 GLU A CB 1 ATOM 5374 C CG . GLU A 1 669 ? 1.873 48.543 55.080 1.00 68.55 ? 731 GLU A CG 1 ATOM 5375 C CD . GLU A 1 669 ? 0.376 48.629 54.925 1.00 76.00 ? 731 GLU A CD 1 ATOM 5376 O OE1 . GLU A 1 669 ? -0.157 48.046 53.957 1.00 72.06 ? 731 GLU A OE1 1 ATOM 5377 O OE2 . GLU A 1 669 ? -0.264 49.249 55.801 1.00 78.97 ? 731 GLU A OE2 1 ATOM 5378 N N . THR A 1 670 ? 3.802 49.282 58.171 1.00 61.75 ? 732 THR A N 1 ATOM 5379 C CA . THR A 1 670 ? 4.220 50.564 58.729 1.00 70.75 ? 732 THR A CA 1 ATOM 5380 C C . THR A 1 670 ? 5.705 50.522 59.104 1.00 68.53 ? 732 THR A C 1 ATOM 5381 O O . THR A 1 670 ? 6.479 51.333 58.608 1.00 65.85 ? 732 THR A O 1 ATOM 5382 C CB . THR A 1 670 ? 3.379 50.982 59.953 1.00 72.29 ? 732 THR A CB 1 ATOM 5383 O OG1 . THR A 1 670 ? 1.996 50.754 59.687 1.00 76.25 ? 732 THR A OG1 1 ATOM 5384 C CG2 . THR A 1 670 ? 3.573 52.457 60.253 1.00 69.94 ? 732 THR A CG2 1 ATOM 5385 N N . LEU A 1 671 ? 6.097 49.577 59.960 1.00 70.92 ? 733 LEU A N 1 ATOM 5386 C CA . LEU A 1 671 ? 7.504 49.437 60.381 1.00 68.78 ? 733 LEU A CA 1 ATOM 5387 C C . LEU A 1 671 ? 8.501 49.459 59.209 1.00 66.12 ? 733 LEU A C 1 ATOM 5388 O O . LEU A 1 671 ? 9.512 50.152 59.272 1.00 61.41 ? 733 LEU A O 1 ATOM 5389 C CB . LEU A 1 671 ? 7.712 48.168 61.230 1.00 67.61 ? 733 LEU A CB 1 ATOM 5390 C CG . LEU A 1 671 ? 9.145 47.847 61.710 1.00 68.41 ? 733 LEU A CG 1 ATOM 5391 C CD1 . LEU A 1 671 ? 9.608 48.856 62.756 1.00 72.30 ? 733 LEU A CD1 1 ATOM 5392 C CD2 . LEU A 1 671 ? 9.258 46.440 62.269 1.00 60.66 ? 733 LEU A CD2 1 ATOM 5393 N N . THR A 1 672 ? 8.208 48.723 58.141 1.00 62.43 ? 734 THR A N 1 ATOM 5394 C CA . THR A 1 672 ? 9.116 48.637 56.988 1.00 61.38 ? 734 THR A CA 1 ATOM 5395 C C . THR A 1 672 ? 9.041 49.829 56.034 1.00 65.46 ? 734 THR A C 1 ATOM 5396 O O . THR A 1 672 ? 9.648 49.797 54.963 1.00 66.21 ? 734 THR A O 1 ATOM 5397 C CB . THR A 1 672 ? 8.838 47.380 56.142 1.00 53.90 ? 734 THR A CB 1 ATOM 5398 O OG1 . THR A 1 672 ? 7.490 47.419 55.651 1.00 56.37 ? 734 THR A OG1 1 ATOM 5399 C CG2 . THR A 1 672 ? 9.038 46.148 56.955 1.00 59.62 ? 734 THR A CG2 1 ATOM 5400 N N . LYS A 1 673 ? 8.300 50.869 56.419 1.00 65.48 ? 735 LYS A N 1 ATOM 5401 C CA . LYS A 1 673 ? 8.086 52.040 55.576 1.00 67.55 ? 735 LYS A CA 1 ATOM 5402 C C . LYS A 1 673 ? 7.573 51.623 54.221 1.00 71.07 ? 735 LYS A C 1 ATOM 5403 O O . LYS A 1 673 ? 8.176 51.923 53.178 1.00 70.15 ? 735 LYS A O 1 ATOM 5404 C CB . LYS A 1 673 ? 9.354 52.865 55.431 1.00 68.07 ? 735 LYS A CB 1 ATOM 5405 C CG . LYS A 1 673 ? 9.795 53.463 56.739 1.00 70.74 ? 735 LYS A CG 1 ATOM 5406 C CD . LYS A 1 673 ? 11.075 54.251 56.556 1.00 80.37 ? 735 LYS A CD 1 ATOM 5407 C CE . LYS A 1 673 ? 11.750 54.483 57.896 1.00 76.35 ? 735 LYS A CE 1 ATOM 5408 N NZ . LYS A 1 673 ? 11.037 55.542 58.644 1.00 78.02 ? 735 LYS A NZ 1 ATOM 5409 N N . ASN A 1 674 ? 6.448 50.913 54.257 1.00 69.54 ? 736 ASN A N 1 ATOM 5410 C CA . ASN A 1 674 ? 5.780 50.452 53.051 1.00 74.27 ? 736 ASN A CA 1 ATOM 5411 C C . ASN A 1 674 ? 6.660 49.437 52.353 1.00 68.18 ? 736 ASN A C 1 ATOM 5412 O O . ASN A 1 674 ? 6.838 49.489 51.139 1.00 72.39 ? 736 ASN A O 1 ATOM 5413 C CB . ASN A 1 674 ? 5.457 51.636 52.128 1.00 70.94 ? 736 ASN A CB 1 ATOM 5414 C CG . ASN A 1 674 ? 4.164 51.453 51.381 1.00 78.85 ? 736 ASN A CG 1 ATOM 5415 O OD1 . ASN A 1 674 ? 3.970 50.459 50.679 1.00 89.12 ? 736 ASN A OD1 1 ATOM 5416 N ND2 . ASN A 1 674 ? 3.260 52.407 51.538 1.00 84.17 ? 736 ASN A ND2 1 ATOM 5417 N N . TRP A 1 675 ? 7.233 48.534 53.149 1.00 63.26 ? 737 TRP A N 1 ATOM 5418 C CA . TRP A 1 675 ? 7.986 47.394 52.632 1.00 61.70 ? 737 TRP A CA 1 ATOM 5419 C C . TRP A 1 675 ? 9.280 47.771 51.926 1.00 65.41 ? 737 TRP A C 1 ATOM 5420 O O . TRP A 1 675 ? 9.823 46.959 51.174 1.00 64.42 ? 737 TRP A O 1 ATOM 5421 C CB . TRP A 1 675 ? 7.116 46.567 51.679 1.00 63.31 ? 737 TRP A CB 1 ATOM 5422 C CG . TRP A 1 675 ? 5.758 46.302 52.193 1.00 59.97 ? 737 TRP A CG 1 ATOM 5423 C CD1 . TRP A 1 675 ? 4.592 46.819 51.720 1.00 61.66 ? 737 TRP A CD1 1 ATOM 5424 C CD2 . TRP A 1 675 ? 5.412 45.466 53.298 1.00 58.19 ? 737 TRP A CD2 1 ATOM 5425 N NE1 . TRP A 1 675 ? 3.535 46.343 52.450 1.00 61.23 ? 737 TRP A NE1 1 ATOM 5426 C CE2 . TRP A 1 675 ? 4.010 45.511 53.428 1.00 62.31 ? 737 TRP A CE2 1 ATOM 5427 C CE3 . TRP A 1 675 ? 6.147 44.674 54.187 1.00 56.00 ? 737 TRP A CE3 1 ATOM 5428 C CZ2 . TRP A 1 675 ? 3.327 44.793 54.420 1.00 62.17 ? 737 TRP A CZ2 1 ATOM 5429 C CZ3 . TRP A 1 675 ? 5.470 43.967 55.175 1.00 53.81 ? 737 TRP A CZ3 1 ATOM 5430 C CH2 . TRP A 1 675 ? 4.074 44.035 55.287 1.00 60.93 ? 737 TRP A CH2 1 ATOM 5431 N N . THR A 1 676 ? 9.771 48.984 52.162 1.00 63.00 ? 738 THR A N 1 ATOM 5432 C CA . THR A 1 676 ? 11.004 49.442 51.523 1.00 67.62 ? 738 THR A CA 1 ATOM 5433 C C . THR A 1 676 ? 12.262 49.148 52.339 1.00 72.51 ? 738 THR A C 1 ATOM 5434 O O . THR A 1 676 ? 13.368 49.151 51.796 1.00 71.05 ? 738 THR A O 1 ATOM 5435 C CB . THR A 1 676 ? 10.977 50.948 51.201 1.00 69.17 ? 738 THR A CB 1 ATOM 5436 O OG1 . THR A 1 676 ? 10.609 51.681 52.376 1.00 76.06 ? 738 THR A OG1 1 ATOM 5437 C CG2 . THR A 1 676 ? 9.985 51.248 50.072 1.00 70.26 ? 738 THR A CG2 1 ATOM 5438 N N . GLU A 1 677 ? 12.116 48.916 53.640 1.00 65.09 ? 739 GLU A N 1 ATOM 5439 C CA . GLU A 1 677 ? 13.270 48.550 54.444 1.00 65.13 ? 739 GLU A CA 1 ATOM 5440 C C . GLU A 1 677 ? 12.952 47.454 55.445 1.00 60.89 ? 739 GLU A C 1 ATOM 5441 O O . GLU A 1 677 ? 11.948 47.495 56.140 1.00 66.01 ? 739 GLU A O 1 ATOM 5442 C CB . GLU A 1 677 ? 13.911 49.762 55.113 1.00 68.63 ? 739 GLU A CB 1 ATOM 5443 C CG . GLU A 1 677 ? 12.966 50.737 55.770 1.00 79.02 ? 739 GLU A CG 1 ATOM 5444 C CD . GLU A 1 677 ? 13.693 51.993 56.233 1.00 83.32 ? 739 GLU A CD 1 ATOM 5445 O OE1 . GLU A 1 677 ? 14.149 52.792 55.378 1.00 90.34 ? 739 GLU A OE1 1 ATOM 5446 O OE2 . GLU A 1 677 ? 13.815 52.187 57.460 1.00 80.29 ? 739 GLU A OE2 1 ATOM 5447 N N . ARG A 1 678 ? 13.837 46.474 55.494 1.00 57.60 ? 740 ARG A N 1 ATOM 5448 C CA . ARG A 1 678 ? 13.650 45.296 56.312 1.00 53.33 ? 740 ARG A CA 1 ATOM 5449 C C . ARG A 1 678 ? 13.807 45.624 57.779 1.00 54.86 ? 740 ARG A C 1 ATOM 5450 O O . ARG A 1 678 ? 14.543 46.548 58.138 1.00 55.39 ? 740 ARG A O 1 ATOM 5451 C CB . ARG A 1 678 ? 14.706 44.251 55.959 1.00 52.74 ? 740 ARG A CB 1 ATOM 5452 C CG . ARG A 1 678 ? 14.711 43.838 54.497 1.00 56.12 ? 740 ARG A CG 1 ATOM 5453 C CD . ARG A 1 678 ? 13.674 42.770 54.193 1.00 52.23 ? 740 ARG A CD 1 ATOM 5454 N NE . ARG A 1 678 ? 12.291 43.220 54.299 1.00 53.02 ? 740 ARG A NE 1 ATOM 5455 C CZ . ARG A 1 678 ? 11.687 44.033 53.433 1.00 54.80 ? 740 ARG A CZ 1 ATOM 5456 N NH1 . ARG A 1 678 ? 10.407 44.349 53.606 1.00 57.78 ? 740 ARG A NH1 1 ATOM 5457 N NH2 . ARG A 1 678 ? 12.343 44.526 52.392 1.00 56.67 ? 740 ARG A NH2 1 ATOM 5458 N N . PRO A 1 679 ? 13.148 44.841 58.645 1.00 55.92 ? 741 PRO A N 1 ATOM 5459 C CA . PRO A 1 679 ? 13.437 44.956 60.073 1.00 55.72 ? 741 PRO A CA 1 ATOM 5460 C C . PRO A 1 679 ? 14.921 44.714 60.329 1.00 57.01 ? 741 PRO A C 1 ATOM 5461 O O . PRO A 1 679 ? 15.630 44.154 59.485 1.00 52.72 ? 741 PRO A O 1 ATOM 5462 C CB . PRO A 1 679 ? 12.588 43.856 60.698 1.00 53.11 ? 741 PRO A CB 1 ATOM 5463 C CG . PRO A 1 679 ? 11.506 43.577 59.694 1.00 54.22 ? 741 PRO A CG 1 ATOM 5464 C CD . PRO A 1 679 ? 12.134 43.814 58.358 1.00 54.22 ? 741 PRO A CD 1 ATOM 5465 N N . GLU A 1 680 ? 15.385 45.133 61.495 1.00 60.23 ? 742 GLU A N 1 ATOM 5466 C CA . GLU A 1 680 ? 16.806 45.221 61.740 1.00 56.61 ? 742 GLU A CA 1 ATOM 5467 C C . GLU A 1 680 ? 17.480 43.884 62.059 1.00 57.63 ? 742 GLU A C 1 ATOM 5468 O O . GLU A 1 680 ? 18.397 43.454 61.348 1.00 57.06 ? 742 GLU A O 1 ATOM 5469 C CB . GLU A 1 680 ? 17.079 46.271 62.824 1.00 58.27 ? 742 GLU A CB 1 ATOM 5470 C CG . GLU A 1 680 ? 18.453 46.880 62.643 1.00 65.83 ? 742 GLU A CG 1 ATOM 5471 C CD . GLU A 1 680 ? 18.609 48.197 63.366 1.00 76.50 ? 742 GLU A CD 1 ATOM 5472 O OE1 . GLU A 1 680 ? 17.769 48.506 64.250 1.00 84.62 ? 742 GLU A OE1 1 ATOM 5473 O OE2 . GLU A 1 680 ? 19.578 48.931 63.041 1.00 83.84 ? 742 GLU A OE2 1 ATOM 5474 N N . ASN A 1 681 ? 17.021 43.224 63.115 1.00 51.22 ? 743 ASN A N 1 ATOM 5475 C CA . ASN A 1 681 ? 17.580 41.933 63.527 1.00 48.32 ? 743 ASN A CA 1 ATOM 5476 C C . ASN A 1 681 ? 16.933 40.707 62.856 1.00 47.12 ? 743 ASN A C 1 ATOM 5477 O O . ASN A 1 681 ? 15.882 40.783 62.217 1.00 49.29 ? 743 ASN A O 1 ATOM 5478 C CB . ASN A 1 681 ? 17.499 41.793 65.050 1.00 49.35 ? 743 ASN A CB 1 ATOM 5479 C CG . ASN A 1 681 ? 16.069 41.655 65.552 1.00 52.40 ? 743 ASN A CG 1 ATOM 5480 O OD1 . ASN A 1 681 ? 15.241 41.010 64.928 1.00 59.65 ? 743 ASN A OD1 1 ATOM 5481 N ND2 . ASN A 1 681 ? 15.778 42.260 66.694 1.00 52.99 ? 743 ASN A ND2 1 ATOM 5482 N N . LEU A 1 682 ? 17.548 39.559 63.061 1.00 44.35 ? 744 LEU A N 1 ATOM 5483 C CA . LEU A 1 682 ? 17.128 38.324 62.407 1.00 41.45 ? 744 LEU A CA 1 ATOM 5484 C C . LEU A 1 682 ? 15.713 37.887 62.750 1.00 41.94 ? 744 LEU A C 1 ATOM 5485 O O . LEU A 1 682 ? 14.940 37.608 61.845 1.00 44.31 ? 744 LEU A O 1 ATOM 5486 C CB . LEU A 1 682 ? 18.083 37.201 62.791 1.00 42.98 ? 744 LEU A CB 1 ATOM 5487 C CG . LEU A 1 682 ? 17.829 35.806 62.221 1.00 44.15 ? 744 LEU A CG 1 ATOM 5488 C CD1 . LEU A 1 682 ? 18.472 35.691 60.862 1.00 50.49 ? 744 LEU A CD1 1 ATOM 5489 C CD2 . LEU A 1 682 ? 18.460 34.767 63.108 1.00 48.40 ? 744 LEU A CD2 1 ATOM 5490 N N . MET A 1 683 ? 15.390 37.800 64.044 1.00 43.83 ? 745 MET A N 1 ATOM 5491 C CA . MET A 1 683 ? 14.088 37.292 64.474 1.00 46.22 ? 745 MET A CA 1 ATOM 5492 C C . MET A 1 683 ? 12.948 38.099 63.874 1.00 46.34 ? 745 MET A C 1 ATOM 5493 O O . MET A 1 683 ? 11.951 37.529 63.428 1.00 45.30 ? 745 MET A O 1 ATOM 5494 C CB . MET A 1 683 ? 13.945 37.303 66.002 1.00 48.93 ? 745 MET A CB 1 ATOM 5495 C CG . MET A 1 683 ? 14.753 36.257 66.737 1.00 47.54 ? 745 MET A CG 1 ATOM 5496 S SD . MET A 1 683 ? 14.747 34.612 65.978 1.00 46.35 ? 745 MET A SD 1 ATOM 5497 C CE . MET A 1 683 ? 16.294 34.019 66.647 1.00 44.95 ? 745 MET A CE 1 ATOM 5498 N N . ASP A 1 684 ? 13.092 39.422 63.869 1.00 45.58 ? 746 ASP A N 1 ATOM 5499 C CA . ASP A 1 684 ? 12.074 40.261 63.267 1.00 47.56 ? 746 ASP A CA 1 ATOM 5500 C C . ASP A 1 684 ? 11.993 40.100 61.752 1.00 45.46 ? 746 ASP A C 1 ATOM 5501 O O . ASP A 1 684 ? 10.900 40.160 61.202 1.00 48.67 ? 746 ASP A O 1 ATOM 5502 C CB . ASP A 1 684 ? 12.275 41.728 63.628 1.00 45.13 ? 746 ASP A CB 1 ATOM 5503 C CG . ASP A 1 684 ? 12.168 41.980 65.107 1.00 51.47 ? 746 ASP A CG 1 ATOM 5504 O OD1 . ASP A 1 684 ? 11.605 41.146 65.854 1.00 50.07 ? 746 ASP A OD1 1 ATOM 5505 O OD2 . ASP A 1 684 ? 12.678 43.040 65.519 1.00 52.51 ? 746 ASP A OD2 1 ATOM 5506 N N . GLN A 1 685 ? 13.127 39.913 61.078 1.00 46.41 ? 747 GLN A N 1 ATOM 5507 C CA . GLN A 1 685 ? 13.094 39.600 59.635 1.00 49.13 ? 747 GLN A CA 1 ATOM 5508 C C . GLN A 1 685 ? 12.363 38.282 59.395 1.00 46.07 ? 747 GLN A C 1 ATOM 5509 O O . GLN A 1 685 ? 11.514 38.194 58.500 1.00 45.58 ? 747 GLN A O 1 ATOM 5510 C CB . GLN A 1 685 ? 14.494 39.560 59.013 1.00 45.62 ? 747 GLN A CB 1 ATOM 5511 C CG . GLN A 1 685 ? 15.145 40.934 58.903 1.00 45.50 ? 747 GLN A CG 1 ATOM 5512 C CD . GLN A 1 685 ? 16.486 40.906 58.189 1.00 48.32 ? 747 GLN A CD 1 ATOM 5513 O OE1 . GLN A 1 685 ? 16.604 40.455 57.042 1.00 49.48 ? 747 GLN A OE1 1 ATOM 5514 N NE2 . GLN A 1 685 ? 17.507 41.402 58.858 1.00 54.70 ? 747 GLN A NE2 1 ATOM 5515 N N . TYR A 1 686 ? 12.663 37.279 60.225 1.00 42.86 ? 748 TYR A N 1 ATOM 5516 C CA . TYR A 1 686 ? 11.971 35.999 60.163 1.00 43.31 ? 748 TYR A CA 1 ATOM 5517 C C . TYR A 1 686 ? 10.480 36.193 60.442 1.00 45.01 ? 748 TYR A C 1 ATOM 5518 O O . TYR A 1 686 ? 9.658 35.589 59.784 1.00 43.98 ? 748 TYR A O 1 ATOM 5519 C CB . TYR A 1 686 ? 12.529 35.042 61.188 1.00 43.43 ? 748 TYR A CB 1 ATOM 5520 C CG . TYR A 1 686 ? 13.804 34.298 60.826 1.00 41.15 ? 748 TYR A CG 1 ATOM 5521 C CD1 . TYR A 1 686 ? 14.639 34.705 59.795 1.00 41.81 ? 748 TYR A CD1 1 ATOM 5522 C CD2 . TYR A 1 686 ? 14.171 33.173 61.550 1.00 44.24 ? 748 TYR A CD2 1 ATOM 5523 C CE1 . TYR A 1 686 ? 15.804 34.005 59.499 1.00 41.71 ? 748 TYR A CE1 1 ATOM 5524 C CE2 . TYR A 1 686 ? 15.330 32.475 61.258 1.00 45.09 ? 748 TYR A CE2 1 ATOM 5525 C CZ . TYR A 1 686 ? 16.141 32.888 60.236 1.00 42.53 ? 748 TYR A CZ 1 ATOM 5526 O OH . TYR A 1 686 ? 17.294 32.161 59.944 1.00 47.85 ? 748 TYR A OH 1 ATOM 5527 N N . SER A 1 687 ? 10.124 37.028 61.412 1.00 41.98 ? 749 SER A N 1 ATOM 5528 C CA . SER A 1 687 ? 8.712 37.239 61.677 1.00 43.19 ? 749 SER A CA 1 ATOM 5529 C C . SER A 1 687 ? 8.040 37.829 60.442 1.00 44.89 ? 749 SER A C 1 ATOM 5530 O O . SER A 1 687 ? 6.937 37.418 60.081 1.00 46.22 ? 749 SER A O 1 ATOM 5531 C CB . SER A 1 687 ? 8.502 38.151 62.876 1.00 48.48 ? 749 SER A CB 1 ATOM 5532 O OG . SER A 1 687 ? 7.123 38.172 63.231 1.00 48.02 ? 749 SER A OG 1 ATOM 5533 N N . GLU A 1 688 ? 8.705 38.789 59.796 1.00 44.61 ? 750 GLU A N 1 ATOM 5534 C CA . GLU A 1 688 ? 8.148 39.429 58.605 1.00 49.33 ? 750 GLU A CA 1 ATOM 5535 C C . GLU A 1 688 ? 7.976 38.435 57.448 1.00 46.42 ? 750 GLU A C 1 ATOM 5536 O O . GLU A 1 688 ? 6.955 38.431 56.769 1.00 45.16 ? 750 GLU A O 1 ATOM 5537 C CB . GLU A 1 688 ? 9.016 40.604 58.144 1.00 47.83 ? 750 GLU A CB 1 ATOM 5538 C CG . GLU A 1 688 ? 8.439 41.335 56.925 1.00 49.81 ? 750 GLU A CG 1 ATOM 5539 C CD . GLU A 1 688 ? 9.439 42.187 56.165 1.00 52.76 ? 750 GLU A CD 1 ATOM 5540 O OE1 . GLU A 1 688 ? 10.666 41.971 56.270 1.00 52.42 ? 750 GLU A OE1 1 ATOM 5541 O OE2 . GLU A 1 688 ? 8.990 43.089 55.429 1.00 55.71 ? 750 GLU A OE2 1 ATOM 5542 N N . ILE A 1 689 ? 8.980 37.600 57.215 1.00 43.08 ? 751 ILE A N 1 ATOM 5543 C CA . ILE A 1 689 ? 8.873 36.578 56.190 1.00 44.48 ? 751 ILE A CA 1 ATOM 5544 C C . ILE A 1 689 ? 7.640 35.696 56.403 1.00 43.48 ? 751 ILE A C 1 ATOM 5545 O O . ILE A 1 689 ? 6.874 35.457 55.468 1.00 45.51 ? 751 ILE A O 1 ATOM 5546 C CB . ILE A 1 689 ? 10.135 35.691 56.161 1.00 43.74 ? 751 ILE A CB 1 ATOM 5547 C CG1 . ILE A 1 689 ? 11.313 36.499 55.614 1.00 44.05 ? 751 ILE A CG1 1 ATOM 5548 C CG2 . ILE A 1 689 ? 9.906 34.432 55.305 1.00 42.09 ? 751 ILE A CG2 1 ATOM 5549 C CD1 . ILE A 1 689 ? 12.664 35.858 55.850 1.00 45.37 ? 751 ILE A CD1 1 ATOM 5550 N N . ASN A 1 690 ? 7.473 35.205 57.625 1.00 43.16 ? 752 ASN A N 1 ATOM 5551 C CA . ASN A 1 690 ? 6.331 34.365 57.973 1.00 46.05 ? 752 ASN A CA 1 ATOM 5552 C C . ASN A 1 690 ? 4.993 35.095 57.883 1.00 48.45 ? 752 ASN A C 1 ATOM 5553 O O . ASN A 1 690 ? 3.977 34.509 57.493 1.00 47.92 ? 752 ASN A O 1 ATOM 5554 C CB . ASN A 1 690 ? 6.503 33.763 59.378 1.00 46.58 ? 752 ASN A CB 1 ATOM 5555 C CG . ASN A 1 690 ? 7.360 32.492 59.375 1.00 45.55 ? 752 ASN A CG 1 ATOM 5556 O OD1 . ASN A 1 690 ? 7.699 31.968 58.315 1.00 42.59 ? 752 ASN A OD1 1 ATOM 5557 N ND2 . ASN A 1 690 ? 7.702 31.996 60.561 1.00 45.00 ? 752 ASN A ND2 1 ATOM 5558 N N . ALA A 1 691 ? 4.992 36.365 58.273 1.00 47.32 ? 753 ALA A N 1 ATOM 5559 C CA . ALA A 1 691 ? 3.748 37.140 58.258 1.00 47.93 ? 753 ALA A CA 1 ATOM 5560 C C . ALA A 1 691 ? 3.272 37.288 56.823 1.00 50.29 ? 753 ALA A C 1 ATOM 5561 O O . ALA A 1 691 ? 2.090 37.090 56.525 1.00 51.68 ? 753 ALA A O 1 ATOM 5562 C CB . ALA A 1 691 ? 3.945 38.491 58.907 1.00 48.42 ? 753 ALA A CB 1 ATOM 5563 N N . ILE A 1 692 ? 4.206 37.600 55.929 1.00 47.68 ? 754 ILE A N 1 ATOM 5564 C CA . ILE A 1 692 ? 3.866 37.762 54.529 1.00 49.01 ? 754 ILE A CA 1 ATOM 5565 C C . ILE A 1 692 ? 3.469 36.438 53.913 1.00 45.92 ? 754 ILE A C 1 ATOM 5566 O O . ILE A 1 692 ? 2.463 36.336 53.219 1.00 49.24 ? 754 ILE A O 1 ATOM 5567 C CB . ILE A 1 692 ? 5.006 38.427 53.766 1.00 50.25 ? 754 ILE A CB 1 ATOM 5568 C CG1 . ILE A 1 692 ? 4.971 39.913 54.092 1.00 53.38 ? 754 ILE A CG1 1 ATOM 5569 C CG2 . ILE A 1 692 ? 4.851 38.236 52.260 1.00 50.78 ? 754 ILE A CG2 1 ATOM 5570 C CD1 . ILE A 1 692 ? 6.236 40.638 53.734 1.00 59.40 ? 754 ILE A CD1 1 ATOM 5571 N N . SER A 1 693 ? 4.248 35.417 54.172 1.00 43.10 ? 755 SER A N 1 ATOM 5572 C CA . SER A 1 693 ? 3.863 34.115 53.693 1.00 45.20 ? 755 SER A CA 1 ATOM 5573 C C . SER A 1 693 ? 2.450 33.712 54.156 1.00 46.55 ? 755 SER A C 1 ATOM 5574 O O . SER A 1 693 ? 1.622 33.225 53.362 1.00 44.50 ? 755 SER A O 1 ATOM 5575 C CB . SER A 1 693 ? 4.847 33.110 54.205 1.00 42.97 ? 755 SER A CB 1 ATOM 5576 O OG . SER A 1 693 ? 4.479 31.841 53.747 1.00 47.81 ? 755 SER A OG 1 ATOM 5577 N N . THR A 1 694 ? 2.179 33.922 55.439 1.00 46.05 ? 756 THR A N 1 ATOM 5578 C CA . THR A 1 694 ? 0.873 33.552 56.017 1.00 48.47 ? 756 THR A CA 1 ATOM 5579 C C . THR A 1 694 ? -0.259 34.407 55.455 1.00 46.88 ? 756 THR A C 1 ATOM 5580 O O . THR A 1 694 ? -1.331 33.907 55.110 1.00 51.96 ? 756 THR A O 1 ATOM 5581 C CB . THR A 1 694 ? 0.913 33.637 57.551 1.00 50.33 ? 756 THR A CB 1 ATOM 5582 O OG1 . THR A 1 694 ? 1.967 32.799 58.038 1.00 45.80 ? 756 THR A OG1 1 ATOM 5583 C CG2 . THR A 1 694 ? -0.412 33.206 58.180 1.00 52.24 ? 756 THR A CG2 1 ATOM 5584 N N . ALA A 1 695 ? -0.017 35.700 55.334 1.00 49.31 ? 757 ALA A N 1 ATOM 5585 C CA . ALA A 1 695 ? -1.039 36.591 54.826 1.00 52.97 ? 757 ALA A CA 1 ATOM 5586 C C . ALA A 1 695 ? -1.408 36.206 53.392 1.00 54.43 ? 757 ALA A C 1 ATOM 5587 O O . ALA A 1 695 ? -2.587 36.015 53.076 1.00 55.28 ? 757 ALA A O 1 ATOM 5588 C CB . ALA A 1 695 ? -0.574 38.031 54.901 1.00 52.70 ? 757 ALA A CB 1 ATOM 5589 N N . CYS A 1 696 ? -0.392 36.044 52.552 1.00 51.87 ? 758 CYS A N 1 ATOM 5590 C CA . CYS A 1 696 ? -0.594 35.739 51.143 1.00 52.12 ? 758 CYS A CA 1 ATOM 5591 C C . CYS A 1 696 ? -1.231 34.392 50.892 1.00 54.29 ? 758 CYS A C 1 ATOM 5592 O O . CYS A 1 696 ? -2.146 34.276 50.090 1.00 55.87 ? 758 CYS A O 1 ATOM 5593 C CB . CYS A 1 696 ? 0.710 35.869 50.362 1.00 50.71 ? 758 CYS A CB 1 ATOM 5594 S SG . CYS A 1 696 ? 0.899 37.514 49.651 1.00 53.72 ? 758 CYS A SG 1 ATOM 5595 N N . SER A 1 697 ? -0.755 33.375 51.591 1.00 49.34 ? 759 SER A N 1 ATOM 5596 C CA . SER A 1 697 ? -1.255 32.062 51.362 1.00 49.36 ? 759 SER A CA 1 ATOM 5597 C C . SER A 1 697 ? -2.675 31.914 51.911 1.00 54.95 ? 759 SER A C 1 ATOM 5598 O O . SER A 1 697 ? -3.391 31.035 51.462 1.00 53.80 ? 759 SER A O 1 ATOM 5599 C CB . SER A 1 697 ? -0.309 31.029 51.934 1.00 52.79 ? 759 SER A CB 1 ATOM 5600 O OG . SER A 1 697 ? -0.394 31.055 53.330 1.00 57.78 ? 759 SER A OG 1 ATOM 5601 N N . ASN A 1 698 ? -3.093 32.768 52.848 1.00 54.64 ? 760 ASN A N 1 ATOM 5602 C CA . ASN A 1 698 ? -4.465 32.701 53.369 1.00 55.20 ? 760 ASN A CA 1 ATOM 5603 C C . ASN A 1 698 ? -5.410 33.706 52.732 1.00 56.40 ? 760 ASN A C 1 ATOM 5604 O O . ASN A 1 698 ? -6.572 33.813 53.125 1.00 59.56 ? 760 ASN A O 1 ATOM 5605 C CB . ASN A 1 698 ? -4.490 32.801 54.890 1.00 54.90 ? 760 ASN A CB 1 ATOM 5606 C CG . ASN A 1 698 ? -4.040 31.516 55.550 1.00 52.31 ? 760 ASN A CG 1 ATOM 5607 O OD1 . ASN A 1 698 ? -4.786 30.528 55.601 1.00 50.36 ? 760 ASN A OD1 1 ATOM 5608 N ND2 . ASN A 1 698 ? -2.817 31.509 56.040 1.00 46.88 ? 760 ASN A ND2 1 ATOM 5609 N N . GLY A 1 699 ? -4.903 34.439 51.751 1.00 57.56 ? 761 GLY A N 1 ATOM 5610 C CA . GLY A 1 699 ? -5.760 35.204 50.869 1.00 55.62 ? 761 GLY A CA 1 ATOM 5611 C C . GLY A 1 699 ? -6.045 36.599 51.355 1.00 56.68 ? 761 GLY A C 1 ATOM 5612 O O . GLY A 1 699 ? -7.066 37.164 51.006 1.00 59.47 ? 761 GLY A O 1 ATOM 5613 N N . LEU A 1 700 ? -5.132 37.163 52.149 1.00 58.02 ? 762 LEU A N 1 ATOM 5614 C CA . LEU A 1 700 ? -5.299 38.542 52.593 1.00 60.15 ? 762 LEU A CA 1 ATOM 5615 C C . LEU A 1 700 ? -5.167 39.446 51.381 1.00 56.82 ? 762 LEU A C 1 ATOM 5616 O O . LEU A 1 700 ? -4.089 39.485 50.772 1.00 56.36 ? 762 LEU A O 1 ATOM 5617 C CB . LEU A 1 700 ? -4.256 38.918 53.653 1.00 56.14 ? 762 LEU A CB 1 ATOM 5618 C CG . LEU A 1 700 ? -4.564 40.234 54.381 1.00 60.44 ? 762 LEU A CG 1 ATOM 5619 C CD1 . LEU A 1 700 ? -5.745 40.118 55.354 1.00 59.61 ? 762 LEU A CD1 1 ATOM 5620 C CD2 . LEU A 1 700 ? -3.337 40.733 55.108 1.00 55.19 ? 762 LEU A CD2 1 ATOM 5621 N N . PRO A 1 701 ? -6.256 40.167 51.013 1.00 62.19 ? 763 PRO A N 1 ATOM 5622 C CA . PRO A 1 701 ? -6.159 41.012 49.809 1.00 62.79 ? 763 PRO A CA 1 ATOM 5623 C C . PRO A 1 701 ? -4.938 41.952 49.772 1.00 61.05 ? 763 PRO A C 1 ATOM 5624 O O . PRO A 1 701 ? -4.293 42.041 48.745 1.00 57.73 ? 763 PRO A O 1 ATOM 5625 C CB . PRO A 1 701 ? -7.494 41.781 49.791 1.00 65.20 ? 763 PRO A CB 1 ATOM 5626 C CG . PRO A 1 701 ? -8.434 40.897 50.536 1.00 62.22 ? 763 PRO A CG 1 ATOM 5627 C CD . PRO A 1 701 ? -7.602 40.215 51.607 1.00 59.21 ? 763 PRO A CD 1 ATOM 5628 N N . GLN A 1 702 ? -4.590 42.603 50.877 1.00 62.25 ? 764 GLN A N 1 ATOM 5629 C CA . GLN A 1 702 ? -3.423 43.501 50.886 1.00 61.21 ? 764 GLN A CA 1 ATOM 5630 C C . GLN A 1 702 ? -2.089 42.794 50.578 1.00 60.22 ? 764 GLN A C 1 ATOM 5631 O O . GLN A 1 702 ? -1.194 43.410 50.004 1.00 57.71 ? 764 GLN A O 1 ATOM 5632 C CB . GLN A 1 702 ? -3.288 44.252 52.215 1.00 66.99 ? 764 GLN A CB 1 ATOM 5633 C CG . GLN A 1 702 ? -4.566 44.888 52.746 1.00 72.95 ? 764 GLN A CG 1 ATOM 5634 C CD . GLN A 1 702 ? -5.336 43.949 53.668 1.00 73.22 ? 764 GLN A CD 1 ATOM 5635 O OE1 . GLN A 1 702 ? -6.082 43.082 53.206 1.00 74.91 ? 764 GLN A OE1 1 ATOM 5636 N NE2 . GLN A 1 702 ? -5.160 44.120 54.975 1.00 70.17 ? 764 GLN A NE2 1 ATOM 5637 N N . CYS A 1 703 ? -1.944 41.522 50.956 1.00 56.22 ? 765 CYS A N 1 ATOM 5638 C CA . CYS A 1 703 ? -0.722 40.788 50.603 1.00 57.04 ? 765 CYS A CA 1 ATOM 5639 C C . CYS A 1 703 ? -0.687 40.454 49.113 1.00 59.44 ? 765 CYS A C 1 ATOM 5640 O O . CYS A 1 703 ? 0.338 40.636 48.461 1.00 54.89 ? 765 CYS A O 1 ATOM 5641 C CB . CYS A 1 703 ? -0.553 39.516 51.428 1.00 54.05 ? 765 CYS A CB 1 ATOM 5642 S SG . CYS A 1 703 ? 1.099 38.815 51.247 1.00 55.39 ? 765 CYS A SG 1 ATOM 5643 N N . GLU A 1 704 ? -1.815 39.976 48.590 1.00 58.03 ? 766 GLU A N 1 ATOM 5644 C CA . GLU A 1 704 ? -1.963 39.690 47.165 1.00 55.72 ? 766 GLU A CA 1 ATOM 5645 C C . GLU A 1 704 ? -1.655 40.920 46.318 1.00 54.65 ? 766 GLU A C 1 ATOM 5646 O O . GLU A 1 704 ? -0.992 40.826 45.294 1.00 57.90 ? 766 GLU A O 1 ATOM 5647 C CB . GLU A 1 704 ? -3.382 39.188 46.861 1.00 59.71 ? 766 GLU A CB 1 ATOM 5648 C CG . GLU A 1 704 ? -3.705 37.814 47.431 1.00 58.19 ? 766 GLU A CG 1 ATOM 5649 C CD . GLU A 1 704 ? -5.184 37.503 47.385 1.00 57.18 ? 766 GLU A CD 1 ATOM 5650 O OE1 . GLU A 1 704 ? -5.992 38.438 47.211 1.00 57.46 ? 766 GLU A OE1 1 ATOM 5651 O OE2 . GLU A 1 704 ? -5.545 36.325 47.533 1.00 60.09 ? 766 GLU A OE2 1 ATOM 5652 N N . ASN A 1 705 ? -2.168 42.064 46.758 1.00 54.36 ? 767 ASN A N 1 ATOM 5653 C CA . ASN A 1 705 ? -1.900 43.365 46.159 1.00 64.11 ? 767 ASN A CA 1 ATOM 5654 C C . ASN A 1 705 ? -0.399 43.668 46.029 1.00 60.71 ? 767 ASN A C 1 ATOM 5655 O O . ASN A 1 705 ? 0.084 44.112 44.984 1.00 60.99 ? 767 ASN A O 1 ATOM 5656 C CB . ASN A 1 705 ? -2.546 44.413 47.068 1.00 67.68 ? 767 ASN A CB 1 ATOM 5657 C CG . ASN A 1 705 ? -2.841 45.699 46.370 1.00 76.99 ? 767 ASN A CG 1 ATOM 5658 O OD1 . ASN A 1 705 ? -3.939 46.237 46.501 1.00 97.86 ? 767 ASN A OD1 1 ATOM 5659 N ND2 . ASN A 1 705 ? -1.874 46.219 45.640 1.00 76.26 ? 767 ASN A ND2 1 ATOM 5660 N N . LEU A 1 706 ? 0.313 43.451 47.128 1.00 58.46 ? 768 LEU A N 1 ATOM 5661 C CA . LEU A 1 706 ? 1.746 43.698 47.208 1.00 61.17 ? 768 LEU A CA 1 ATOM 5662 C C . LEU A 1 706 ? 2.513 42.792 46.252 1.00 57.32 ? 768 LEU A C 1 ATOM 5663 O O . LEU A 1 706 ? 3.415 43.244 45.549 1.00 57.46 ? 768 LEU A O 1 ATOM 5664 C CB . LEU A 1 706 ? 2.231 43.462 48.632 1.00 62.25 ? 768 LEU A CB 1 ATOM 5665 C CG . LEU A 1 706 ? 3.740 43.589 48.861 1.00 57.84 ? 768 LEU A CG 1 ATOM 5666 C CD1 . LEU A 1 706 ? 4.191 45.028 48.628 1.00 57.04 ? 768 LEU A CD1 1 ATOM 5667 C CD2 . LEU A 1 706 ? 4.109 43.127 50.260 1.00 57.99 ? 768 LEU A CD2 1 ATOM 5668 N N . ALA A 1 707 ? 2.136 41.517 46.232 1.00 56.15 ? 769 ALA A N 1 ATOM 5669 C CA . ALA A 1 707 ? 2.793 40.512 45.392 1.00 57.22 ? 769 ALA A CA 1 ATOM 5670 C C . ALA A 1 707 ? 2.597 40.794 43.912 1.00 57.40 ? 769 ALA A C 1 ATOM 5671 O O . ALA A 1 707 ? 3.535 40.695 43.136 1.00 54.05 ? 769 ALA A O 1 ATOM 5672 C CB . ALA A 1 707 ? 2.295 39.107 45.727 1.00 54.33 ? 769 ALA A CB 1 ATOM 5673 N N . LYS A 1 708 ? 1.376 41.134 43.518 1.00 57.74 ? 770 LYS A N 1 ATOM 5674 C CA . LYS A 1 708 ? 1.108 41.461 42.120 1.00 56.95 ? 770 LYS A CA 1 ATOM 5675 C C . LYS A 1 708 ? 1.886 42.706 41.677 1.00 57.54 ? 770 LYS A C 1 ATOM 5676 O O . LYS A 1 708 ? 2.492 42.702 40.610 1.00 60.36 ? 770 LYS A O 1 ATOM 5677 C CB . LYS A 1 708 ? -0.384 41.655 41.887 1.00 58.00 ? 770 LYS A CB 1 ATOM 5678 C CG . LYS A 1 708 ? -0.751 41.809 40.418 1.00 58.27 ? 770 LYS A CG 1 ATOM 5679 C CD . LYS A 1 708 ? -2.257 41.936 40.244 1.00 63.78 ? 770 LYS A CD 1 ATOM 5680 C CE . LYS A 1 708 ? -2.640 42.178 38.792 1.00 67.33 ? 770 LYS A CE 1 ATOM 5681 N NZ . LYS A 1 708 ? -2.083 43.465 38.287 1.00 69.26 ? 770 LYS A NZ 1 ATOM 5682 N N . THR A 1 709 ? 1.863 43.754 42.507 1.00 59.70 ? 771 THR A N 1 ATOM 5683 C CA . THR A 1 709 ? 2.570 45.017 42.235 1.00 61.46 ? 771 THR A CA 1 ATOM 5684 C C . THR A 1 709 ? 4.069 44.773 42.068 1.00 61.66 ? 771 THR A C 1 ATOM 5685 O O . THR A 1 709 ? 4.687 45.247 41.113 1.00 62.85 ? 771 THR A O 1 ATOM 5686 C CB . THR A 1 709 ? 2.371 46.049 43.375 1.00 65.08 ? 771 THR A CB 1 ATOM 5687 O OG1 . THR A 1 709 ? 0.975 46.287 43.592 1.00 67.75 ? 771 THR A OG1 1 ATOM 5688 C CG2 . THR A 1 709 ? 3.041 47.379 43.047 1.00 65.06 ? 771 THR A CG2 1 ATOM 5689 N N . LEU A 1 710 ? 4.658 44.031 42.997 1.00 56.11 ? 772 LEU A N 1 ATOM 5690 C CA . LEU A 1 710 ? 6.091 43.774 42.927 1.00 62.10 ? 772 LEU A CA 1 ATOM 5691 C C . LEU A 1 710 ? 6.480 42.916 41.712 1.00 56.03 ? 772 LEU A C 1 ATOM 5692 O O . LEU A 1 710 ? 7.456 43.214 41.021 1.00 58.35 ? 772 LEU A O 1 ATOM 5693 C CB . LEU A 1 710 ? 6.621 43.172 44.245 1.00 60.75 ? 772 LEU A CB 1 ATOM 5694 C CG . LEU A 1 710 ? 6.754 44.168 45.418 1.00 59.81 ? 772 LEU A CG 1 ATOM 5695 C CD1 . LEU A 1 710 ? 6.998 43.473 46.744 1.00 58.04 ? 772 LEU A CD1 1 ATOM 5696 C CD2 . LEU A 1 710 ? 7.849 45.181 45.157 1.00 61.98 ? 772 LEU A CD2 1 ATOM 5697 N N . PHE A 1 711 ? 5.718 41.863 41.439 1.00 54.33 ? 773 PHE A N 1 ATOM 5698 C CA . PHE A 1 711 ? 6.030 41.015 40.298 1.00 57.75 ? 773 PHE A CA 1 ATOM 5699 C C . PHE A 1 711 ? 5.798 41.758 38.989 1.00 61.46 ? 773 PHE A C 1 ATOM 5700 O O . PHE A 1 711 ? 6.618 41.643 38.081 1.00 58.18 ? 773 PHE A O 1 ATOM 5701 C CB . PHE A 1 711 ? 5.242 39.706 40.339 1.00 58.17 ? 773 PHE A CB 1 ATOM 5702 C CG . PHE A 1 711 ? 5.923 38.559 39.647 1.00 54.25 ? 773 PHE A CG 1 ATOM 5703 C CD1 . PHE A 1 711 ? 6.832 37.763 40.332 1.00 49.20 ? 773 PHE A CD1 1 ATOM 5704 C CD2 . PHE A 1 711 ? 5.628 38.255 38.319 1.00 50.75 ? 773 PHE A CD2 1 ATOM 5705 C CE1 . PHE A 1 711 ? 7.461 36.695 39.702 1.00 51.84 ? 773 PHE A CE1 1 ATOM 5706 C CE2 . PHE A 1 711 ? 6.250 37.177 37.689 1.00 55.90 ? 773 PHE A CE2 1 ATOM 5707 C CZ . PHE A 1 711 ? 7.155 36.401 38.381 1.00 51.65 ? 773 PHE A CZ 1 ATOM 5708 N N . ASP A 1 712 ? 4.702 42.521 38.900 1.00 59.88 ? 774 ASP A N 1 ATOM 5709 C CA . ASP A 1 712 ? 4.452 43.382 37.743 1.00 64.27 ? 774 ASP A CA 1 ATOM 5710 C C . ASP A 1 712 ? 5.627 44.331 37.535 1.00 62.18 ? 774 ASP A C 1 ATOM 5711 O O . ASP A 1 712 ? 6.104 44.508 36.429 1.00 64.47 ? 774 ASP A O 1 ATOM 5712 C CB . ASP A 1 712 ? 3.177 44.225 37.913 1.00 66.44 ? 774 ASP A CB 1 ATOM 5713 C CG . ASP A 1 712 ? 1.899 43.472 37.565 1.00 67.24 ? 774 ASP A CG 1 ATOM 5714 O OD1 . ASP A 1 712 ? 1.953 42.343 37.036 1.00 69.46 ? 774 ASP A OD1 1 ATOM 5715 O OD2 . ASP A 1 712 ? 0.812 44.031 37.810 1.00 71.87 ? 774 ASP A OD2 1 ATOM 5716 N N . GLN A 1 713 ? 6.096 44.938 38.612 1.00 59.41 ? 775 GLN A N 1 ATOM 5717 C CA . GLN A 1 713 ? 7.221 45.840 38.534 1.00 62.63 ? 775 GLN A CA 1 ATOM 5718 C C . GLN A 1 713 ? 8.499 45.136 38.062 1.00 62.14 ? 775 GLN A C 1 ATOM 5719 O O . GLN A 1 713 ? 9.283 45.703 37.294 1.00 64.99 ? 775 GLN A O 1 ATOM 5720 C CB . GLN A 1 713 ? 7.488 46.450 39.896 1.00 60.34 ? 775 GLN A CB 1 ATOM 5721 C CG . GLN A 1 713 ? 8.296 47.727 39.820 1.00 71.39 ? 775 GLN A CG 1 ATOM 5722 C CD . GLN A 1 713 ? 8.770 48.149 41.189 1.00 79.80 ? 775 GLN A CD 1 ATOM 5723 O OE1 . GLN A 1 713 ? 8.138 47.817 42.196 1.00 84.05 ? 775 GLN A OE1 1 ATOM 5724 N NE2 . GLN A 1 713 ? 9.883 48.886 41.242 1.00 71.31 ? 775 GLN A NE2 1 ATOM 5725 N N . TRP A 1 714 ? 8.716 43.914 38.534 1.00 56.74 ? 776 TRP A N 1 ATOM 5726 C CA . TRP A 1 714 ? 9.863 43.128 38.095 1.00 63.68 ? 776 TRP A CA 1 ATOM 5727 C C . TRP A 1 714 ? 9.778 42.790 36.596 1.00 65.17 ? 776 TRP A C 1 ATOM 5728 O O . TRP A 1 714 ? 10.759 42.930 35.868 1.00 58.47 ? 776 TRP A O 1 ATOM 5729 C CB . TRP A 1 714 ? 10.017 41.849 38.937 1.00 59.29 ? 776 TRP A CB 1 ATOM 5730 C CG . TRP A 1 714 ? 11.271 41.050 38.601 1.00 55.74 ? 776 TRP A CG 1 ATOM 5731 C CD1 . TRP A 1 714 ? 12.426 41.531 38.041 1.00 58.62 ? 776 TRP A CD1 1 ATOM 5732 C CD2 . TRP A 1 714 ? 11.495 39.650 38.824 1.00 54.74 ? 776 TRP A CD2 1 ATOM 5733 N NE1 . TRP A 1 714 ? 13.335 40.519 37.884 1.00 57.58 ? 776 TRP A NE1 1 ATOM 5734 C CE2 . TRP A 1 714 ? 12.788 39.353 38.354 1.00 55.04 ? 776 TRP A CE2 1 ATOM 5735 C CE3 . TRP A 1 714 ? 10.720 38.615 39.363 1.00 53.39 ? 776 TRP A CE3 1 ATOM 5736 C CZ2 . TRP A 1 714 ? 13.324 38.065 38.406 1.00 58.22 ? 776 TRP A CZ2 1 ATOM 5737 C CZ3 . TRP A 1 714 ? 11.255 37.344 39.425 1.00 54.18 ? 776 TRP A CZ3 1 ATOM 5738 C CH2 . TRP A 1 714 ? 12.545 37.080 38.947 1.00 54.15 ? 776 TRP A CH2 1 ATOM 5739 N N . MET A 1 715 ? 8.602 42.371 36.142 1.00 61.64 ? 777 MET A N 1 ATOM 5740 C CA . MET A 1 715 ? 8.401 41.999 34.747 1.00 63.98 ? 777 MET A CA 1 ATOM 5741 C C . MET A 1 715 ? 8.630 43.151 33.779 1.00 65.82 ? 777 MET A C 1 ATOM 5742 O O . MET A 1 715 ? 9.019 42.933 32.634 1.00 65.12 ? 777 MET A O 1 ATOM 5743 C CB . MET A 1 715 ? 7.003 41.428 34.555 1.00 63.24 ? 777 MET A CB 1 ATOM 5744 C CG . MET A 1 715 ? 6.913 40.002 35.019 1.00 61.97 ? 777 MET A CG 1 ATOM 5745 S SD . MET A 1 715 ? 5.268 39.303 34.869 1.00 64.97 ? 777 MET A SD 1 ATOM 5746 C CE . MET A 1 715 ? 5.156 39.112 33.089 1.00 69.66 ? 777 MET A CE 1 ATOM 5747 N N . SER A 1 716 ? 8.391 44.368 34.245 1.00 64.79 ? 778 SER A N 1 ATOM 5748 C CA . SER A 1 716 ? 8.571 45.546 33.425 1.00 71.69 ? 778 SER A CA 1 ATOM 5749 C C . SER A 1 716 ? 10.024 46.002 33.431 1.00 63.38 ? 778 SER A C 1 ATOM 5750 O O . SER A 1 716 ? 10.396 46.857 32.660 1.00 63.01 ? 778 SER A O 1 ATOM 5751 C CB . SER A 1 716 ? 7.666 46.673 33.917 1.00 77.92 ? 778 SER A CB 1 ATOM 5752 O OG . SER A 1 716 ? 8.210 47.271 35.077 1.00 76.40 ? 778 SER A OG 1 ATOM 5753 N N . ASP A 1 717 ? 10.858 45.417 34.284 1.00 73.11 ? 779 ASP A N 1 ATOM 5754 C CA . ASP A 1 717 ? 12.274 45.803 34.380 1.00 76.63 ? 779 ASP A CA 1 ATOM 5755 C C . ASP A 1 717 ? 13.072 44.603 34.914 1.00 76.32 ? 779 ASP A C 1 ATOM 5756 O O . ASP A 1 717 ? 13.514 44.601 36.077 1.00 74.49 ? 779 ASP A O 1 ATOM 5757 C CB . ASP A 1 717 ? 12.404 47.035 35.287 1.00 77.05 ? 779 ASP A CB 1 ATOM 5758 C CG . ASP A 1 717 ? 13.816 47.616 35.335 1.00 81.02 ? 779 ASP A CG 1 ATOM 5759 O OD1 . ASP A 1 717 ? 14.721 47.212 34.566 1.00 62.78 ? 779 ASP A OD1 1 ATOM 5760 O OD2 . ASP A 1 717 ? 14.013 48.518 36.171 1.00 82.92 ? 779 ASP A OD2 1 ATOM 5761 N N . PRO A 1 718 ? 13.238 43.564 34.065 1.00 66.54 ? 780 PRO A N 1 ATOM 5762 C CA . PRO A 1 718 ? 13.748 42.257 34.504 1.00 68.40 ? 780 PRO A CA 1 ATOM 5763 C C . PRO A 1 718 ? 15.140 42.247 35.154 1.00 67.38 ? 780 PRO A C 1 ATOM 5764 O O . PRO A 1 718 ? 15.405 41.407 36.010 1.00 69.69 ? 780 PRO A O 1 ATOM 5765 C CB . PRO A 1 718 ? 13.746 41.431 33.210 1.00 68.48 ? 780 PRO A CB 1 ATOM 5766 C CG . PRO A 1 718 ? 12.683 42.056 32.372 1.00 69.51 ? 780 PRO A CG 1 ATOM 5767 C CD . PRO A 1 718 ? 12.834 43.527 32.642 1.00 71.55 ? 780 PRO A CD 1 ATOM 5768 N N . GLU A 1 719 ? 16.014 43.163 34.760 1.00 69.56 ? 781 GLU A N 1 ATOM 5769 C CA . GLU A 1 719 ? 17.383 43.187 35.277 1.00 72.22 ? 781 GLU A CA 1 ATOM 5770 C C . GLU A 1 719 ? 17.476 43.818 36.665 1.00 69.47 ? 781 GLU A C 1 ATOM 5771 O O . GLU A 1 719 ? 18.497 43.685 37.349 1.00 68.27 ? 781 GLU A O 1 ATOM 5772 C CB . GLU A 1 719 ? 18.289 43.957 34.323 1.00 77.66 ? 781 GLU A CB 1 ATOM 5773 C CG . GLU A 1 719 ? 18.273 43.457 32.889 1.00 85.41 ? 781 GLU A CG 1 ATOM 5774 C CD . GLU A 1 719 ? 18.608 44.557 31.901 1.00 84.51 ? 781 GLU A CD 1 ATOM 5775 O OE1 . GLU A 1 719 ? 19.780 44.652 31.501 1.00 98.33 ? 781 GLU A OE1 1 ATOM 5776 O OE2 . GLU A 1 719 ? 17.710 45.342 31.542 1.00 102.29 ? 781 GLU A OE2 1 ATOM 5777 N N . ASN A 1 720 ? 16.429 44.538 37.058 1.00 66.58 ? 782 ASN A N 1 ATOM 5778 C CA . ASN A 1 720 ? 16.379 45.162 38.371 1.00 70.24 ? 782 ASN A CA 1 ATOM 5779 C C . ASN A 1 720 ? 15.279 44.543 39.206 1.00 67.23 ? 782 ASN A C 1 ATOM 5780 O O . ASN A 1 720 ? 14.161 45.042 39.271 1.00 67.15 ? 782 ASN A O 1 ATOM 5781 C CB . ASN A 1 720 ? 16.177 46.661 38.219 1.00 69.83 ? 782 ASN A CB 1 ATOM 5782 C CG . ASN A 1 720 ? 17.245 47.291 37.352 1.00 73.92 ? 782 ASN A CG 1 ATOM 5783 O OD1 . ASN A 1 720 ? 16.949 48.009 36.397 1.00 86.90 ? 782 ASN A OD1 1 ATOM 5784 N ND2 . ASN A 1 720 ? 18.494 47.001 37.660 1.00 70.98 ? 782 ASN A ND2 1 ATOM 5785 N N . ASN A 1 721 ? 15.602 43.423 39.831 1.00 65.12 ? 783 ASN A N 1 ATOM 5786 C CA . ASN A 1 721 ? 14.629 42.703 40.634 1.00 63.48 ? 783 ASN A CA 1 ATOM 5787 C C . ASN A 1 721 ? 14.310 43.563 41.848 1.00 58.58 ? 783 ASN A C 1 ATOM 5788 O O . ASN A 1 721 ? 15.189 43.798 42.665 1.00 59.49 ? 783 ASN A O 1 ATOM 5789 C CB . ASN A 1 721 ? 15.202 41.347 41.044 1.00 55.60 ? 783 ASN A CB 1 ATOM 5790 C CG . ASN A 1 721 ? 14.182 40.453 41.701 1.00 55.76 ? 783 ASN A CG 1 ATOM 5791 O OD1 . ASN A 1 721 ? 13.270 40.918 42.384 1.00 55.73 ? 783 ASN A OD1 1 ATOM 5792 N ND2 . ASN A 1 721 ? 14.333 39.152 41.502 1.00 52.10 ? 783 ASN A ND2 1 ATOM 5793 N N . PRO A 1 722 ? 13.059 44.041 41.970 1.00 61.69 ? 784 PRO A N 1 ATOM 5794 C CA . PRO A 1 722 ? 12.710 44.928 43.080 1.00 62.87 ? 784 PRO A CA 1 ATOM 5795 C C . PRO A 1 722 ? 12.340 44.183 44.373 1.00 57.76 ? 784 PRO A C 1 ATOM 5796 O O . PRO A 1 722 ? 11.989 44.810 45.367 1.00 67.00 ? 784 PRO A O 1 ATOM 5797 C CB . PRO A 1 722 ? 11.485 45.662 42.540 1.00 63.05 ? 784 PRO A CB 1 ATOM 5798 C CG . PRO A 1 722 ? 10.812 44.647 41.674 1.00 65.65 ? 784 PRO A CG 1 ATOM 5799 C CD . PRO A 1 722 ? 11.874 43.713 41.153 1.00 64.89 ? 784 PRO A CD 1 ATOM 5800 N N . ILE A 1 723 ? 12.421 42.860 44.355 1.00 50.32 ? 785 ILE A N 1 ATOM 5801 C CA . ILE A 1 723 ? 11.956 42.050 45.468 1.00 52.47 ? 785 ILE A CA 1 ATOM 5802 C C . ILE A 1 723 ? 13.138 41.591 46.329 1.00 53.39 ? 785 ILE A C 1 ATOM 5803 O O . ILE A 1 723 ? 14.025 40.869 45.867 1.00 50.87 ? 785 ILE A O 1 ATOM 5804 C CB . ILE A 1 723 ? 11.160 40.835 44.959 1.00 50.72 ? 785 ILE A CB 1 ATOM 5805 C CG1 . ILE A 1 723 ? 10.002 41.281 44.044 1.00 53.76 ? 785 ILE A CG1 1 ATOM 5806 C CG2 . ILE A 1 723 ? 10.619 40.006 46.123 1.00 50.61 ? 785 ILE A CG2 1 ATOM 5807 C CD1 . ILE A 1 723 ? 9.586 40.243 43.013 1.00 50.12 ? 785 ILE A CD1 1 ATOM 5808 N N . HIS A 1 724 ? 13.143 42.005 47.588 1.00 50.09 ? 786 HIS A N 1 ATOM 5809 C CA . HIS A 1 724 ? 14.198 41.594 48.499 1.00 49.33 ? 786 HIS A CA 1 ATOM 5810 C C . HIS A 1 724 ? 14.236 40.066 48.614 1.00 45.85 ? 786 HIS A C 1 ATOM 5811 O O . HIS A 1 724 ? 13.197 39.427 48.642 1.00 48.13 ? 786 HIS A O 1 ATOM 5812 C CB . HIS A 1 724 ? 13.956 42.202 49.871 1.00 51.28 ? 786 HIS A CB 1 ATOM 5813 C CG . HIS A 1 724 ? 15.142 42.134 50.778 1.00 54.87 ? 786 HIS A CG 1 ATOM 5814 N ND1 . HIS A 1 724 ? 15.531 40.972 51.416 1.00 53.54 ? 786 HIS A ND1 1 ATOM 5815 C CD2 . HIS A 1 724 ? 16.022 43.086 51.157 1.00 51.68 ? 786 HIS A CD2 1 ATOM 5816 C CE1 . HIS A 1 724 ? 16.600 41.216 52.152 1.00 53.65 ? 786 HIS A CE1 1 ATOM 5817 N NE2 . HIS A 1 724 ? 16.915 42.492 52.014 1.00 52.75 ? 786 HIS A NE2 1 ATOM 5818 N N . PRO A 1 725 ? 15.439 39.477 48.688 1.00 49.15 ? 787 PRO A N 1 ATOM 5819 C CA . PRO A 1 725 ? 15.525 38.015 48.752 1.00 46.56 ? 787 PRO A CA 1 ATOM 5820 C C . PRO A 1 725 ? 14.703 37.352 49.861 1.00 45.18 ? 787 PRO A C 1 ATOM 5821 O O . PRO A 1 725 ? 14.253 36.250 49.671 1.00 45.83 ? 787 PRO A O 1 ATOM 5822 C CB . PRO A 1 725 ? 17.012 37.769 48.996 1.00 47.59 ? 787 PRO A CB 1 ATOM 5823 C CG . PRO A 1 725 ? 17.690 38.927 48.326 1.00 50.54 ? 787 PRO A CG 1 ATOM 5824 C CD . PRO A 1 725 ? 16.769 40.107 48.547 1.00 49.29 ? 787 PRO A CD 1 ATOM 5825 N N . ASN A 1 726 ? 14.517 38.015 51.000 1.00 45.34 ? 788 ASN A N 1 ATOM 5826 C CA . ASN A 1 726 ? 13.741 37.459 52.106 1.00 44.65 ? 788 ASN A CA 1 ATOM 5827 C C . ASN A 1 726 ? 12.317 37.133 51.688 1.00 47.62 ? 788 ASN A C 1 ATOM 5828 O O . ASN A 1 726 ? 11.720 36.174 52.176 1.00 51.25 ? 788 ASN A O 1 ATOM 5829 C CB . ASN A 1 726 ? 13.650 38.448 53.258 1.00 44.63 ? 788 ASN A CB 1 ATOM 5830 C CG . ASN A 1 726 ? 14.947 38.586 54.052 1.00 43.92 ? 788 ASN A CG 1 ATOM 5831 O OD1 . ASN A 1 726 ? 16.022 38.105 53.658 1.00 43.13 ? 788 ASN A OD1 1 ATOM 5832 N ND2 . ASN A 1 726 ? 14.842 39.264 55.196 1.00 44.55 ? 788 ASN A ND2 1 ATOM 5833 N N . LEU A 1 727 ? 11.767 37.959 50.802 1.00 47.06 ? 789 LEU A N 1 ATOM 5834 C CA . LEU A 1 727 ? 10.349 37.886 50.443 1.00 46.29 ? 789 LEU A CA 1 ATOM 5835 C C . LEU A 1 727 ? 10.035 37.158 49.122 1.00 44.39 ? 789 LEU A C 1 ATOM 5836 O O . LEU A 1 727 ? 8.868 36.892 48.815 1.00 50.97 ? 789 LEU A O 1 ATOM 5837 C CB . LEU A 1 727 ? 9.748 39.295 50.429 1.00 46.88 ? 789 LEU A CB 1 ATOM 5838 C CG . LEU A 1 727 ? 9.917 40.090 51.720 1.00 51.92 ? 789 LEU A CG 1 ATOM 5839 C CD1 . LEU A 1 727 ? 9.188 41.414 51.637 1.00 56.86 ? 789 LEU A CD1 1 ATOM 5840 C CD2 . LEU A 1 727 ? 9.436 39.303 52.936 1.00 60.48 ? 789 LEU A CD2 1 ATOM 5841 N N . ARG A 1 728 ? 11.078 36.789 48.383 1.00 44.69 ? 790 ARG A N 1 ATOM 5842 C CA . ARG A 1 728 ? 10.910 36.235 47.058 1.00 43.14 ? 790 ARG A CA 1 ATOM 5843 C C . ARG A 1 728 ? 10.041 35.014 46.969 1.00 45.02 ? 790 ARG A C 1 ATOM 5844 O O . ARG A 1 728 ? 9.209 34.945 46.071 1.00 43.71 ? 790 ARG A O 1 ATOM 5845 C CB . ARG A 1 728 ? 12.259 35.952 46.422 1.00 44.99 ? 790 ARG A CB 1 ATOM 5846 C CG . ARG A 1 728 ? 12.926 37.240 45.976 1.00 46.53 ? 790 ARG A CG 1 ATOM 5847 C CD . ARG A 1 728 ? 14.312 37.023 45.397 1.00 48.11 ? 790 ARG A CD 1 ATOM 5848 N NE . ARG A 1 728 ? 14.949 38.309 45.124 1.00 48.53 ? 790 ARG A NE 1 ATOM 5849 C CZ . ARG A 1 728 ? 16.085 38.471 44.451 1.00 46.73 ? 790 ARG A CZ 1 ATOM 5850 N NH1 . ARG A 1 728 ? 16.737 37.439 43.958 1.00 42.68 ? 790 ARG A NH1 1 ATOM 5851 N NH2 . ARG A 1 728 ? 16.567 39.690 44.247 1.00 50.70 ? 790 ARG A NH2 1 ATOM 5852 N N . SER A 1 729 ? 10.233 34.048 47.869 1.00 42.41 ? 791 SER A N 1 ATOM 5853 C CA . SER A 1 729 ? 9.502 32.791 47.737 1.00 45.24 ? 791 SER A CA 1 ATOM 5854 C C . SER A 1 729 ? 7.978 33.020 47.796 1.00 45.44 ? 791 SER A C 1 ATOM 5855 O O . SER A 1 729 ? 7.254 32.472 46.981 1.00 47.10 ? 791 SER A O 1 ATOM 5856 C CB . SER A 1 729 ? 9.951 31.754 48.767 1.00 46.01 ? 791 SER A CB 1 ATOM 5857 O OG . SER A 1 729 ? 9.621 32.229 50.057 1.00 50.48 ? 791 SER A OG 1 ATOM 5858 N N . THR A 1 730 ? 7.518 33.871 48.708 1.00 43.99 ? 792 THR A N 1 ATOM 5859 C CA . THR A 1 730 ? 6.108 34.232 48.777 1.00 45.74 ? 792 THR A CA 1 ATOM 5860 C C . THR A 1 730 ? 5.690 35.076 47.599 1.00 48.34 ? 792 THR A C 1 ATOM 5861 O O . THR A 1 730 ? 4.696 34.757 46.940 1.00 48.97 ? 792 THR A O 1 ATOM 5862 C CB . THR A 1 730 ? 5.774 35.013 50.053 1.00 47.52 ? 792 THR A CB 1 ATOM 5863 O OG1 . THR A 1 730 ? 6.078 34.190 51.179 1.00 47.80 ? 792 THR A OG1 1 ATOM 5864 C CG2 . THR A 1 730 ? 4.288 35.370 50.092 1.00 44.86 ? 792 THR A CG2 1 ATOM 5865 N N . ILE A 1 731 ? 6.431 36.157 47.336 1.00 48.91 ? 793 ILE A N 1 ATOM 5866 C CA . ILE A 1 731 ? 6.012 37.108 46.305 1.00 49.73 ? 793 ILE A CA 1 ATOM 5867 C C . ILE A 1 731 ? 5.950 36.404 44.976 1.00 48.01 ? 793 ILE A C 1 ATOM 5868 O O . ILE A 1 731 ? 4.952 36.527 44.280 1.00 52.00 ? 793 ILE A O 1 ATOM 5869 C CB . ILE A 1 731 ? 6.925 38.341 46.177 1.00 49.51 ? 793 ILE A CB 1 ATOM 5870 C CG1 . ILE A 1 731 ? 6.960 39.146 47.475 1.00 48.94 ? 793 ILE A CG1 1 ATOM 5871 C CG2 . ILE A 1 731 ? 6.491 39.236 45.031 1.00 46.29 ? 793 ILE A CG2 1 ATOM 5872 C CD1 . ILE A 1 731 ? 5.618 39.586 47.990 1.00 52.63 ? 793 ILE A CD1 1 ATOM 5873 N N . TYR A 1 732 ? 7.001 35.660 44.630 1.00 49.95 ? 794 TYR A N 1 ATOM 5874 C CA . TYR A 1 732 ? 6.984 34.862 43.394 1.00 47.15 ? 794 TYR A CA 1 ATOM 5875 C C . TYR A 1 732 ? 5.764 33.940 43.332 1.00 48.23 ? 794 TYR A C 1 ATOM 5876 O O . TYR A 1 732 ? 5.015 33.959 42.354 1.00 49.40 ? 794 TYR A O 1 ATOM 5877 C CB . TYR A 1 732 ? 8.237 33.988 43.249 1.00 45.76 ? 794 TYR A CB 1 ATOM 5878 C CG . TYR A 1 732 ? 9.548 34.706 43.043 1.00 45.07 ? 794 TYR A CG 1 ATOM 5879 C CD1 . TYR A 1 732 ? 9.622 36.096 42.957 1.00 48.17 ? 794 TYR A CD1 1 ATOM 5880 C CD2 . TYR A 1 732 ? 10.716 33.978 42.895 1.00 45.84 ? 794 TYR A CD2 1 ATOM 5881 C CE1 . TYR A 1 732 ? 10.830 36.744 42.756 1.00 48.55 ? 794 TYR A CE1 1 ATOM 5882 C CE2 . TYR A 1 732 ? 11.929 34.615 42.685 1.00 47.80 ? 794 TYR A CE2 1 ATOM 5883 C CZ . TYR A 1 732 ? 11.976 35.991 42.629 1.00 46.92 ? 794 TYR A CZ 1 ATOM 5884 O OH . TYR A 1 732 ? 13.184 36.594 42.428 1.00 47.29 ? 794 TYR A OH 1 ATOM 5885 N N . CYS A 1 733 ? 5.582 33.129 44.375 1.00 45.71 ? 795 CYS A N 1 ATOM 5886 C CA . CYS A 1 733 ? 4.518 32.127 44.403 1.00 45.89 ? 795 CYS A CA 1 ATOM 5887 C C . CYS A 1 733 ? 3.127 32.764 44.269 1.00 46.78 ? 795 CYS A C 1 ATOM 5888 O O . CYS A 1 733 ? 2.323 32.345 43.428 1.00 48.74 ? 795 CYS A O 1 ATOM 5889 C CB . CYS A 1 733 ? 4.611 31.306 45.695 1.00 47.77 ? 795 CYS A CB 1 ATOM 5890 S SG . CYS A 1 733 ? 3.222 30.195 45.956 1.00 52.28 ? 795 CYS A SG 1 ATOM 5891 N N . ASN A 1 734 ? 2.855 33.778 45.084 1.00 48.49 ? 796 ASN A N 1 ATOM 5892 C CA . ASN A 1 734 ? 1.531 34.400 45.085 1.00 52.04 ? 796 ASN A CA 1 ATOM 5893 C C . ASN A 1 734 ? 1.205 35.120 43.783 1.00 52.93 ? 796 ASN A C 1 ATOM 5894 O O . ASN A 1 734 ? 0.067 35.044 43.261 1.00 53.49 ? 796 ASN A O 1 ATOM 5895 C CB . ASN A 1 734 ? 1.367 35.377 46.243 1.00 50.90 ? 796 ASN A CB 1 ATOM 5896 C CG . ASN A 1 734 ? -0.079 35.775 46.435 1.00 53.12 ? 796 ASN A CG 1 ATOM 5897 O OD1 . ASN A 1 734 ? -0.540 36.781 45.889 1.00 52.48 ? 796 ASN A OD1 1 ATOM 5898 N ND2 . ASN A 1 734 ? -0.826 34.942 47.166 1.00 53.45 ? 796 ASN A ND2 1 ATOM 5899 N N . ALA A 1 735 ? 2.189 35.838 43.260 1.00 48.40 ? 797 ALA A N 1 ATOM 5900 C CA . ALA A 1 735 ? 1.987 36.526 41.988 1.00 55.90 ? 797 ALA A CA 1 ATOM 5901 C C . ALA A 1 735 ? 1.773 35.536 40.839 1.00 56.20 ? 797 ALA A C 1 ATOM 5902 O O . ALA A 1 735 ? 0.940 35.791 39.970 1.00 54.20 ? 797 ALA A O 1 ATOM 5903 C CB . ALA A 1 735 ? 3.147 37.464 41.677 1.00 53.41 ? 797 ALA A CB 1 ATOM 5904 N N . ILE A 1 736 ? 2.500 34.411 40.834 1.00 48.30 ? 798 ILE A N 1 ATOM 5905 C CA . ILE A 1 736 ? 2.274 33.384 39.813 1.00 50.89 ? 798 ILE A CA 1 ATOM 5906 C C . ILE A 1 736 ? 0.871 32.773 39.947 1.00 54.93 ? 798 ILE A C 1 ATOM 5907 O O . ILE A 1 736 ? 0.205 32.483 38.936 1.00 59.61 ? 798 ILE A O 1 ATOM 5908 C CB . ILE A 1 736 ? 3.385 32.313 39.809 1.00 50.92 ? 798 ILE A CB 1 ATOM 5909 C CG1 . ILE A 1 736 ? 4.603 32.843 39.057 1.00 50.46 ? 798 ILE A CG1 1 ATOM 5910 C CG2 . ILE A 1 736 ? 2.954 31.012 39.142 1.00 50.73 ? 798 ILE A CG2 1 ATOM 5911 C CD1 . ILE A 1 736 ? 5.849 32.022 39.289 1.00 49.88 ? 798 ILE A CD1 1 ATOM 5912 N N . ALA A 1 737 ? 0.428 32.585 41.185 1.00 51.99 ? 799 ALA A N 1 ATOM 5913 C CA . ALA A 1 737 ? -0.895 32.018 41.428 1.00 50.42 ? 799 ALA A CA 1 ATOM 5914 C C . ALA A 1 737 ? -1.974 32.929 40.886 1.00 51.69 ? 799 ALA A C 1 ATOM 5915 O O . ALA A 1 737 ? -2.942 32.477 40.264 1.00 55.79 ? 799 ALA A O 1 ATOM 5916 C CB . ALA A 1 737 ? -1.097 31.771 42.919 1.00 47.85 ? 799 ALA A CB 1 ATOM 5917 N N . GLN A 1 738 ? -1.798 34.220 41.126 1.00 54.22 ? 800 GLN A N 1 ATOM 5918 C CA . GLN A 1 738 ? -2.757 35.229 40.710 1.00 60.44 ? 800 GLN A CA 1 ATOM 5919 C C . GLN A 1 738 ? -2.766 35.393 39.209 1.00 66.83 ? 800 GLN A C 1 ATOM 5920 O O . GLN A 1 738 ? -3.781 35.771 38.667 1.00 60.72 ? 800 GLN A O 1 ATOM 5921 C CB . GLN A 1 738 ? -2.393 36.591 41.269 1.00 60.89 ? 800 GLN A CB 1 ATOM 5922 C CG . GLN A 1 738 ? -2.777 36.847 42.688 1.00 56.31 ? 800 GLN A CG 1 ATOM 5923 C CD . GLN A 1 738 ? -2.424 38.255 43.061 1.00 59.24 ? 800 GLN A CD 1 ATOM 5924 O OE1 . GLN A 1 738 ? -2.997 39.201 42.534 1.00 60.86 ? 800 GLN A OE1 1 ATOM 5925 N NE2 . GLN A 1 738 ? -1.449 38.407 43.949 1.00 61.03 ? 800 GLN A NE2 1 ATOM 5926 N N . GLY A 1 739 ? -1.625 35.147 38.548 1.00 63.67 ? 801 GLY A N 1 ATOM 5927 C CA . GLY A 1 739 ? -1.514 35.424 37.105 1.00 65.07 ? 801 GLY A CA 1 ATOM 5928 C C . GLY A 1 739 ? -1.685 34.206 36.211 1.00 69.35 ? 801 GLY A C 1 ATOM 5929 O O . GLY A 1 739 ? -2.254 33.192 36.618 1.00 71.92 ? 801 GLY A O 1 ATOM 5930 N N . GLY A 1 740 ? -1.195 34.314 34.982 1.00 70.54 ? 802 GLY A N 1 ATOM 5931 C CA . GLY A 1 740 ? -1.368 33.266 33.991 1.00 59.99 ? 802 GLY A CA 1 ATOM 5932 C C . GLY A 1 740 ? -0.071 32.901 33.322 1.00 60.13 ? 802 GLY A C 1 ATOM 5933 O O . GLY A 1 740 ? 0.966 32.835 33.980 1.00 55.23 ? 802 GLY A O 1 ATOM 5934 N N . GLN A 1 741 ? -0.118 32.670 32.011 1.00 60.39 ? 803 GLN A N 1 ATOM 5935 C CA . GLN A 1 741 ? 1.087 32.228 31.332 1.00 61.40 ? 803 GLN A CA 1 ATOM 5936 C C . GLN A 1 741 ? 2.126 33.337 31.170 1.00 62.61 ? 803 GLN A C 1 ATOM 5937 O O . GLN A 1 741 ? 3.293 33.023 30.997 1.00 58.90 ? 803 GLN A O 1 ATOM 5938 C CB . GLN A 1 741 ? 0.799 31.475 30.029 1.00 58.41 ? 803 GLN A CB 1 ATOM 5939 C CG . GLN A 1 741 ? 0.435 32.293 28.825 1.00 64.17 ? 803 GLN A CG 1 ATOM 5940 C CD . GLN A 1 741 ? 0.201 31.414 27.622 1.00 66.59 ? 803 GLN A CD 1 ATOM 5941 O OE1 . GLN A 1 741 ? -0.913 31.305 27.137 1.00 77.93 ? 803 GLN A OE1 1 ATOM 5942 N NE2 . GLN A 1 741 ? 1.245 30.779 27.140 1.00 71.20 ? 803 GLN A NE2 1 ATOM 5943 N N . ASP A 1 742 ? 1.731 34.609 31.276 1.00 58.70 ? 804 ASP A N 1 ATOM 5944 C CA . ASP A 1 742 ? 2.701 35.703 31.177 1.00 59.75 ? 804 ASP A CA 1 ATOM 5945 C C . ASP A 1 742 ? 3.672 35.707 32.344 1.00 59.42 ? 804 ASP A C 1 ATOM 5946 O O . ASP A 1 742 ? 4.872 35.805 32.143 1.00 61.34 ? 804 ASP A O 1 ATOM 5947 C CB . ASP A 1 742 ? 2.017 37.054 31.062 1.00 60.87 ? 804 ASP A CB 1 ATOM 5948 C CG . ASP A 1 742 ? 1.202 37.174 29.791 1.00 65.40 ? 804 ASP A CG 1 ATOM 5949 O OD1 . ASP A 1 742 ? 1.430 36.376 28.854 1.00 68.48 ? 804 ASP A OD1 1 ATOM 5950 O OD2 . ASP A 1 742 ? 0.325 38.057 29.727 1.00 66.90 ? 804 ASP A OD2 1 ATOM 5951 N N . GLN A 1 743 ? 3.145 35.591 33.560 1.00 57.23 ? 805 GLN A N 1 ATOM 5952 C CA . GLN A 1 743 ? 3.972 35.517 34.762 1.00 57.62 ? 805 GLN A CA 1 ATOM 5953 C C . GLN A 1 743 ? 4.747 34.220 34.768 1.00 56.18 ? 805 GLN A C 1 ATOM 5954 O O . GLN A 1 743 ? 5.943 34.226 35.067 1.00 56.18 ? 805 GLN A O 1 ATOM 5955 C CB . GLN A 1 743 ? 3.124 35.572 36.029 1.00 55.21 ? 805 GLN A CB 1 ATOM 5956 C CG . GLN A 1 743 ? 2.487 36.910 36.324 1.00 53.37 ? 805 GLN A CG 1 ATOM 5957 C CD . GLN A 1 743 ? 1.353 37.262 35.372 1.00 59.90 ? 805 GLN A CD 1 ATOM 5958 O OE1 . GLN A 1 743 ? 0.716 36.396 34.751 1.00 60.18 ? 805 GLN A OE1 1 ATOM 5959 N NE2 . GLN A 1 743 ? 1.104 38.548 35.239 1.00 63.16 ? 805 GLN A NE2 1 ATOM 5960 N N . TRP A 1 744 ? 4.062 33.111 34.449 1.00 56.17 ? 806 TRP A N 1 ATOM 5961 C CA . TRP A 1 744 ? 4.698 31.795 34.418 1.00 52.61 ? 806 TRP A CA 1 ATOM 5962 C C . TRP A 1 744 ? 5.842 31.740 33.422 1.00 54.27 ? 806 TRP A C 1 ATOM 5963 O O . TRP A 1 744 ? 6.940 31.302 33.781 1.00 54.79 ? 806 TRP A O 1 ATOM 5964 C CB . TRP A 1 744 ? 3.709 30.665 34.101 1.00 47.95 ? 806 TRP A CB 1 ATOM 5965 C CG . TRP A 1 744 ? 4.166 29.334 34.662 1.00 52.18 ? 806 TRP A CG 1 ATOM 5966 C CD1 . TRP A 1 744 ? 3.809 28.797 35.864 1.00 51.12 ? 806 TRP A CD1 1 ATOM 5967 C CD2 . TRP A 1 744 ? 5.070 28.388 34.062 1.00 48.86 ? 806 TRP A CD2 1 ATOM 5968 N NE1 . TRP A 1 744 ? 4.432 27.586 36.055 1.00 50.53 ? 806 TRP A NE1 1 ATOM 5969 C CE2 . TRP A 1 744 ? 5.210 27.311 34.964 1.00 49.18 ? 806 TRP A CE2 1 ATOM 5970 C CE3 . TRP A 1 744 ? 5.782 28.352 32.866 1.00 51.59 ? 806 TRP A CE3 1 ATOM 5971 C CZ2 . TRP A 1 744 ? 6.026 26.218 34.704 1.00 50.96 ? 806 TRP A CZ2 1 ATOM 5972 C CZ3 . TRP A 1 744 ? 6.583 27.261 32.606 1.00 48.47 ? 806 TRP A CZ3 1 ATOM 5973 C CH2 . TRP A 1 744 ? 6.710 26.214 33.529 1.00 47.80 ? 806 TRP A CH2 1 ATOM 5974 N N . ASP A 1 745 ? 5.600 32.159 32.179 1.00 52.85 ? 807 ASP A N 1 ATOM 5975 C CA . ASP A 1 745 ? 6.649 32.107 31.167 1.00 57.14 ? 807 ASP A CA 1 ATOM 5976 C C . ASP A 1 745 ? 7.819 33.008 31.513 1.00 56.19 ? 807 ASP A C 1 ATOM 5977 O O . ASP A 1 745 ? 8.963 32.704 31.165 1.00 61.26 ? 807 ASP A O 1 ATOM 5978 C CB . ASP A 1 745 ? 6.116 32.467 29.783 1.00 58.24 ? 807 ASP A CB 1 ATOM 5979 C CG . ASP A 1 745 ? 5.288 31.359 29.172 1.00 58.82 ? 807 ASP A CG 1 ATOM 5980 O OD1 . ASP A 1 745 ? 5.280 30.216 29.691 1.00 57.62 ? 807 ASP A OD1 1 ATOM 5981 O OD2 . ASP A 1 745 ? 4.637 31.649 28.154 1.00 55.91 ? 807 ASP A OD2 1 ATOM 5982 N N . PHE A 1 746 ? 7.527 34.119 32.182 1.00 56.16 ? 808 PHE A N 1 ATOM 5983 C CA . PHE A 1 746 ? 8.562 35.074 32.582 1.00 61.37 ? 808 PHE A CA 1 ATOM 5984 C C . PHE A 1 746 ? 9.470 34.458 33.648 1.00 58.19 ? 808 PHE A C 1 ATOM 5985 O O . PHE A 1 746 ? 10.706 34.504 33.539 1.00 54.87 ? 808 PHE A O 1 ATOM 5986 C CB . PHE A 1 746 ? 7.944 36.384 33.090 1.00 60.19 ? 808 PHE A CB 1 ATOM 5987 C CG . PHE A 1 746 ? 8.936 37.299 33.736 1.00 60.60 ? 808 PHE A CG 1 ATOM 5988 C CD1 . PHE A 1 746 ? 9.707 38.163 32.962 1.00 61.38 ? 808 PHE A CD1 1 ATOM 5989 C CD2 . PHE A 1 746 ? 9.121 37.279 35.103 1.00 59.83 ? 808 PHE A CD2 1 ATOM 5990 C CE1 . PHE A 1 746 ? 10.640 38.998 33.551 1.00 58.72 ? 808 PHE A CE1 1 ATOM 5991 C CE2 . PHE A 1 746 ? 10.053 38.110 35.696 1.00 55.28 ? 808 PHE A CE2 1 ATOM 5992 C CZ . PHE A 1 746 ? 10.818 38.963 34.923 1.00 56.14 ? 808 PHE A CZ 1 ATOM 5993 N N . ALA A 1 747 ? 8.839 33.882 34.667 1.00 51.20 ? 809 ALA A N 1 ATOM 5994 C CA . ALA A 1 747 ? 9.554 33.177 35.725 1.00 54.12 ? 809 ALA A CA 1 ATOM 5995 C C . ALA A 1 747 ? 10.312 31.973 35.164 1.00 55.40 ? 809 ALA A C 1 ATOM 5996 O O . ALA A 1 747 ? 11.400 31.661 35.636 1.00 52.32 ? 809 ALA A O 1 ATOM 5997 C CB . ALA A 1 747 ? 8.591 32.733 36.826 1.00 48.87 ? 809 ALA A CB 1 ATOM 5998 N N . TRP A 1 748 ? 9.752 31.302 34.154 1.00 52.88 ? 810 TRP A N 1 ATOM 5999 C CA . TRP A 1 748 ? 10.476 30.194 33.535 1.00 53.46 ? 810 TRP A CA 1 ATOM 6000 C C . TRP A 1 748 ? 11.758 30.673 32.843 1.00 53.18 ? 810 TRP A C 1 ATOM 6001 O O . TRP A 1 748 ? 12.802 30.058 33.011 1.00 50.93 ? 810 TRP A O 1 ATOM 6002 C CB . TRP A 1 748 ? 9.589 29.438 32.574 1.00 49.94 ? 810 TRP A CB 1 ATOM 6003 C CG . TRP A 1 748 ? 10.237 28.324 31.849 1.00 50.42 ? 810 TRP A CG 1 ATOM 6004 C CD1 . TRP A 1 748 ? 10.630 28.331 30.544 1.00 60.76 ? 810 TRP A CD1 1 ATOM 6005 C CD2 . TRP A 1 748 ? 10.556 27.019 32.358 1.00 55.67 ? 810 TRP A CD2 1 ATOM 6006 N NE1 . TRP A 1 748 ? 11.180 27.118 30.204 1.00 60.35 ? 810 TRP A NE1 1 ATOM 6007 C CE2 . TRP A 1 748 ? 11.151 26.293 31.297 1.00 57.22 ? 810 TRP A CE2 1 ATOM 6008 C CE3 . TRP A 1 748 ? 10.401 26.392 33.600 1.00 48.68 ? 810 TRP A CE3 1 ATOM 6009 C CZ2 . TRP A 1 748 ? 11.589 24.969 31.441 1.00 55.74 ? 810 TRP A CZ2 1 ATOM 6010 C CZ3 . TRP A 1 748 ? 10.833 25.073 33.738 1.00 52.48 ? 810 TRP A CZ3 1 ATOM 6011 C CH2 . TRP A 1 748 ? 11.422 24.380 32.666 1.00 55.03 ? 810 TRP A CH2 1 ATOM 6012 N N . GLY A 1 749 ? 11.675 31.769 32.092 1.00 54.12 ? 811 GLY A N 1 ATOM 6013 C CA . GLY A 1 749 ? 12.855 32.383 31.472 1.00 57.63 ? 811 GLY A CA 1 ATOM 6014 C C . GLY A 1 749 ? 13.897 32.796 32.503 1.00 56.42 ? 811 GLY A C 1 ATOM 6015 O O . GLY A 1 749 ? 15.103 32.551 32.336 1.00 55.95 ? 811 GLY A O 1 ATOM 6016 N N . GLN A 1 750 ? 13.443 33.428 33.574 1.00 53.95 ? 812 GLN A N 1 ATOM 6017 C CA . GLN A 1 750 ? 14.330 33.726 34.701 1.00 57.89 ? 812 GLN A CA 1 ATOM 6018 C C . GLN A 1 750 ? 14.960 32.468 35.269 1.00 55.01 ? 812 GLN A C 1 ATOM 6019 O O . GLN A 1 750 ? 16.142 32.458 35.571 1.00 56.69 ? 812 GLN A O 1 ATOM 6020 C CB . GLN A 1 750 ? 13.603 34.473 35.815 1.00 56.22 ? 812 GLN A CB 1 ATOM 6021 C CG . GLN A 1 750 ? 13.275 35.904 35.458 1.00 58.97 ? 812 GLN A CG 1 ATOM 6022 C CD . GLN A 1 750 ? 14.508 36.667 35.046 1.00 60.94 ? 812 GLN A CD 1 ATOM 6023 O OE1 . GLN A 1 750 ? 15.543 36.583 35.699 1.00 61.25 ? 812 GLN A OE1 1 ATOM 6024 N NE2 . GLN A 1 750 ? 14.411 37.405 33.956 1.00 59.82 ? 812 GLN A NE2 1 ATOM 6025 N N . LEU A 1 751 ? 14.181 31.405 35.412 1.00 52.43 ? 813 LEU A N 1 ATOM 6026 C CA . LEU A 1 751 ? 14.755 30.158 35.923 1.00 54.46 ? 813 LEU A CA 1 ATOM 6027 C C . LEU A 1 751 ? 15.837 29.623 35.004 1.00 56.68 ? 813 LEU A C 1 ATOM 6028 O O . LEU A 1 751 ? 16.930 29.285 35.476 1.00 59.41 ? 813 LEU A O 1 ATOM 6029 C CB . LEU A 1 751 ? 13.698 29.083 36.131 1.00 54.79 ? 813 LEU A CB 1 ATOM 6030 C CG . LEU A 1 751 ? 14.196 27.660 36.403 1.00 50.15 ? 813 LEU A CG 1 ATOM 6031 C CD1 . LEU A 1 751 ? 15.074 27.580 37.646 1.00 48.49 ? 813 LEU A CD1 1 ATOM 6032 C CD2 . LEU A 1 751 ? 12.999 26.737 36.539 1.00 50.58 ? 813 LEU A CD2 1 ATOM 6033 N N . GLN A 1 752 ? 15.533 29.537 33.711 1.00 57.76 ? 814 GLN A N 1 ATOM 6034 C CA . GLN A 1 752 ? 16.472 28.985 32.724 1.00 62.45 ? 814 GLN A CA 1 ATOM 6035 C C . GLN A 1 752 ? 17.816 29.712 32.633 1.00 65.37 ? 814 GLN A C 1 ATOM 6036 O O . GLN A 1 752 ? 18.789 29.134 32.175 1.00 63.72 ? 814 GLN A O 1 ATOM 6037 C CB . GLN A 1 752 ? 15.834 28.912 31.333 1.00 61.28 ? 814 GLN A CB 1 ATOM 6038 C CG . GLN A 1 752 ? 14.748 27.845 31.203 1.00 63.88 ? 814 GLN A CG 1 ATOM 6039 C CD . GLN A 1 752 ? 15.113 26.537 31.885 1.00 62.48 ? 814 GLN A CD 1 ATOM 6040 O OE1 . GLN A 1 752 ? 14.495 26.142 32.873 1.00 63.32 ? 814 GLN A OE1 1 ATOM 6041 N NE2 . GLN A 1 752 ? 16.126 25.868 31.372 1.00 65.19 ? 814 GLN A NE2 1 ATOM 6042 N N . GLN A 1 753 ? 17.877 30.967 33.056 1.00 68.00 ? 815 GLN A N 1 ATOM 6043 C CA . GLN A 1 753 ? 19.131 31.708 33.011 1.00 64.33 ? 815 GLN A CA 1 ATOM 6044 C C . GLN A 1 753 ? 19.728 31.995 34.390 1.00 60.95 ? 815 GLN A C 1 ATOM 6045 O O . GLN A 1 753 ? 20.817 32.567 34.487 1.00 68.49 ? 815 GLN A O 1 ATOM 6046 C CB . GLN A 1 753 ? 18.928 33.012 32.254 1.00 70.87 ? 815 GLN A CB 1 ATOM 6047 C CG . GLN A 1 753 ? 18.418 34.153 33.113 1.00 70.66 ? 815 GLN A CG 1 ATOM 6048 C CD . GLN A 1 753 ? 17.838 35.280 32.285 1.00 79.72 ? 815 GLN A CD 1 ATOM 6049 O OE1 . GLN A 1 753 ? 17.250 35.055 31.216 1.00 86.68 ? 815 GLN A OE1 1 ATOM 6050 N NE2 . GLN A 1 753 ? 17.986 36.509 32.780 1.00 92.66 ? 815 GLN A NE2 1 ATOM 6051 N N . ALA A 1 754 ? 19.041 31.597 35.455 1.00 61.99 ? 816 ALA A N 1 ATOM 6052 C CA . ALA A 1 754 ? 19.555 31.828 36.810 1.00 59.97 ? 816 ALA A CA 1 ATOM 6053 C C . ALA A 1 754 ? 20.944 31.218 36.967 1.00 56.41 ? 816 ALA A C 1 ATOM 6054 O O . ALA A 1 754 ? 21.180 30.087 36.548 1.00 60.94 ? 816 ALA A O 1 ATOM 6055 C CB . ALA A 1 754 ? 18.608 31.241 37.839 1.00 61.68 ? 816 ALA A CB 1 ATOM 6056 N N . GLN A 1 755 ? 21.858 31.961 37.571 1.00 57.76 ? 817 GLN A N 1 ATOM 6057 C CA . GLN A 1 755 ? 23.212 31.461 37.803 1.00 61.89 ? 817 GLN A CA 1 ATOM 6058 C C . GLN A 1 755 ? 23.360 30.923 39.223 1.00 63.72 ? 817 GLN A C 1 ATOM 6059 O O . GLN A 1 755 ? 24.299 30.203 39.504 1.00 63.47 ? 817 GLN A O 1 ATOM 6060 C CB . GLN A 1 755 ? 24.268 32.555 37.548 1.00 69.79 ? 817 GLN A CB 1 ATOM 6061 C CG . GLN A 1 755 ? 24.194 33.218 36.168 1.00 76.78 ? 817 GLN A CG 1 ATOM 6062 C CD . GLN A 1 755 ? 24.927 32.447 35.073 1.00 81.47 ? 817 GLN A CD 1 ATOM 6063 O OE1 . GLN A 1 755 ? 26.167 32.488 34.990 1.00 87.20 ? 817 GLN A OE1 1 ATOM 6064 N NE2 . GLN A 1 755 ? 24.162 31.775 34.194 1.00 84.22 ? 817 GLN A NE2 1 ATOM 6065 N N . LEU A 1 756 ? 22.439 31.275 40.118 1.00 54.97 ? 818 LEU A N 1 ATOM 6066 C CA . LEU A 1 756 ? 22.586 30.951 41.539 1.00 54.98 ? 818 LEU A CA 1 ATOM 6067 C C . LEU A 1 756 ? 21.557 29.947 41.988 1.00 56.19 ? 818 LEU A C 1 ATOM 6068 O O . LEU A 1 756 ? 20.358 30.148 41.795 1.00 56.24 ? 818 LEU A O 1 ATOM 6069 C CB . LEU A 1 756 ? 22.457 32.205 42.391 1.00 62.11 ? 818 LEU A CB 1 ATOM 6070 C CG . LEU A 1 756 ? 23.398 33.331 41.951 1.00 62.67 ? 818 LEU A CG 1 ATOM 6071 C CD1 . LEU A 1 756 ? 23.084 34.628 42.670 1.00 68.30 ? 818 LEU A CD1 1 ATOM 6072 C CD2 . LEU A 1 756 ? 24.853 32.941 42.164 1.00 61.83 ? 818 LEU A CD2 1 ATOM 6073 N N . VAL A 1 757 ? 22.042 28.881 42.610 1.00 59.26 ? 819 VAL A N 1 ATOM 6074 C CA . VAL A 1 757 ? 21.205 27.754 43.018 1.00 58.45 ? 819 VAL A CA 1 ATOM 6075 C C . VAL A 1 757 ? 20.009 28.226 43.835 1.00 52.62 ? 819 VAL A C 1 ATOM 6076 O O . VAL A 1 757 ? 18.894 27.817 43.574 1.00 58.08 ? 819 VAL A O 1 ATOM 6077 C CB . VAL A 1 757 ? 21.989 26.689 43.847 1.00 58.67 ? 819 VAL A CB 1 ATOM 6078 C CG1 . VAL A 1 757 ? 21.181 25.398 43.961 1.00 58.95 ? 819 VAL A CG1 1 ATOM 6079 C CG2 . VAL A 1 757 ? 23.337 26.391 43.217 1.00 61.95 ? 819 VAL A CG2 1 ATOM 6080 N N . ASN A 1 758 ? 20.240 29.085 44.822 1.00 51.16 ? 820 ASN A N 1 ATOM 6081 C CA . ASN A 1 758 ? 19.162 29.498 45.706 1.00 49.91 ? 820 ASN A CA 1 ATOM 6082 C C . ASN A 1 758 ? 18.041 30.216 44.977 1.00 49.66 ? 820 ASN A C 1 ATOM 6083 O O . ASN A 1 758 ? 16.864 29.970 45.260 1.00 53.55 ? 820 ASN A O 1 ATOM 6084 C CB . ASN A 1 758 ? 19.705 30.296 46.887 1.00 53.83 ? 820 ASN A CB 1 ATOM 6085 C CG . ASN A 1 758 ? 20.433 29.398 47.897 1.00 52.49 ? 820 ASN A CG 1 ATOM 6086 O OD1 . ASN A 1 758 ? 20.327 28.168 47.870 1.00 63.07 ? 820 ASN A OD1 1 ATOM 6087 N ND2 . ASN A 1 758 ? 21.166 30.006 48.784 1.00 56.88 ? 820 ASN A ND2 1 ATOM 6088 N N . GLU A 1 759 ? 18.398 31.069 44.013 1.00 50.97 ? 821 GLU A N 1 ATOM 6089 C CA . GLU A 1 759 ? 17.402 31.793 43.218 1.00 50.70 ? 821 GLU A CA 1 ATOM 6090 C C . GLU A 1 759 ? 16.663 30.844 42.282 1.00 48.70 ? 821 GLU A C 1 ATOM 6091 O O . GLU A 1 759 ? 15.436 30.932 42.140 1.00 51.64 ? 821 GLU A O 1 ATOM 6092 C CB . GLU A 1 759 ? 18.052 32.939 42.447 1.00 50.55 ? 821 GLU A CB 1 ATOM 6093 C CG . GLU A 1 759 ? 17.130 33.658 41.478 1.00 50.93 ? 821 GLU A CG 1 ATOM 6094 C CD . GLU A 1 759 ? 16.092 34.563 42.143 1.00 50.57 ? 821 GLU A CD 1 ATOM 6095 O OE1 . GLU A 1 759 ? 16.177 34.833 43.366 1.00 52.82 ? 821 GLU A OE1 1 ATOM 6096 O OE2 . GLU A 1 759 ? 15.175 35.027 41.428 1.00 50.72 ? 821 GLU A OE2 1 ATOM 6097 N N . ALA A 1 760 ? 17.401 29.931 41.658 1.00 46.26 ? 822 ALA A N 1 ATOM 6098 C CA . ALA A 1 760 ? 16.783 28.879 40.857 1.00 47.69 ? 822 ALA A CA 1 ATOM 6099 C C . ALA A 1 760 ? 15.771 28.022 41.660 1.00 49.51 ? 822 ALA A C 1 ATOM 6100 O O . ALA A 1 760 ? 14.690 27.692 41.147 1.00 46.81 ? 822 ALA A O 1 ATOM 6101 C CB . ALA A 1 760 ? 17.852 27.998 40.217 1.00 46.92 ? 822 ALA A CB 1 ATOM 6102 N N . ASP A 1 761 ? 16.128 27.661 42.903 1.00 52.27 ? 823 ASP A N 1 ATOM 6103 C CA . ASP A 1 761 ? 15.220 26.896 43.796 1.00 47.90 ? 823 ASP A CA 1 ATOM 6104 C C . ASP A 1 761 ? 13.906 27.631 44.069 1.00 47.77 ? 823 ASP A C 1 ATOM 6105 O O . ASP A 1 761 ? 12.842 27.021 44.058 1.00 49.90 ? 823 ASP A O 1 ATOM 6106 C CB . ASP A 1 761 ? 15.885 26.565 45.147 1.00 51.03 ? 823 ASP A CB 1 ATOM 6107 C CG . ASP A 1 761 ? 17.004 25.528 45.036 1.00 53.91 ? 823 ASP A CG 1 ATOM 6108 O OD1 . ASP A 1 761 ? 17.107 24.816 43.998 1.00 54.97 ? 823 ASP A OD1 1 ATOM 6109 O OD2 . ASP A 1 761 ? 17.794 25.428 46.016 1.00 54.54 ? 823 ASP A OD2 1 ATOM 6110 N N . LYS A 1 762 ? 13.981 28.930 44.332 1.00 44.19 ? 824 LYS A N 1 ATOM 6111 C CA . LYS A 1 762 ? 12.766 29.714 44.589 1.00 47.37 ? 824 LYS A CA 1 ATOM 6112 C C . LYS A 1 762 ? 11.861 29.832 43.389 1.00 49.29 ? 824 LYS A C 1 ATOM 6113 O O . LYS A 1 762 ? 10.623 29.843 43.518 1.00 51.51 ? 824 LYS A O 1 ATOM 6114 C CB . LYS A 1 762 ? 13.110 31.121 45.078 1.00 49.49 ? 824 LYS A CB 1 ATOM 6115 C CG . LYS A 1 762 ? 13.782 31.117 46.438 1.00 50.78 ? 824 LYS A CG 1 ATOM 6116 C CD . LYS A 1 762 ? 14.203 32.517 46.841 1.00 52.17 ? 824 LYS A CD 1 ATOM 6117 C CE . LYS A 1 762 ? 15.386 32.432 47.764 1.00 50.46 ? 824 LYS A CE 1 ATOM 6118 N NZ . LYS A 1 762 ? 15.626 33.756 48.359 1.00 49.52 ? 824 LYS A NZ 1 ATOM 6119 N N . LEU A 1 763 ? 12.480 29.964 42.219 1.00 45.31 ? 825 LEU A N 1 ATOM 6120 C CA . LEU A 1 763 ? 11.730 30.031 40.982 1.00 46.73 ? 825 LEU A CA 1 ATOM 6121 C C . LEU A 1 763 ? 11.055 28.703 40.706 1.00 47.45 ? 825 LEU A C 1 ATOM 6122 O O . LEU A 1 763 ? 9.883 28.664 40.348 1.00 46.34 ? 825 LEU A O 1 ATOM 6123 C CB . LEU A 1 763 ? 12.641 30.411 39.822 1.00 48.03 ? 825 LEU A CB 1 ATOM 6124 C CG . LEU A 1 763 ? 13.032 31.896 39.847 1.00 51.75 ? 825 LEU A CG 1 ATOM 6125 C CD1 . LEU A 1 763 ? 14.322 32.164 39.077 1.00 51.07 ? 825 LEU A CD1 1 ATOM 6126 C CD2 . LEU A 1 763 ? 11.885 32.748 39.323 1.00 49.43 ? 825 LEU A CD2 1 ATOM 6127 N N . ARG A 1 764 ? 11.798 27.616 40.891 1.00 48.12 ? 826 ARG A N 1 ATOM 6128 C CA . ARG A 1 764 ? 11.254 26.284 40.632 1.00 46.88 ? 826 ARG A CA 1 ATOM 6129 C C . ARG A 1 764 ? 10.078 26.035 41.531 1.00 43.12 ? 826 ARG A C 1 ATOM 6130 O O . ARG A 1 764 ? 9.065 25.502 41.114 1.00 46.64 ? 826 ARG A O 1 ATOM 6131 C CB . ARG A 1 764 ? 12.287 25.205 40.902 1.00 49.29 ? 826 ARG A CB 1 ATOM 6132 C CG . ARG A 1 764 ? 13.065 24.724 39.698 1.00 53.04 ? 826 ARG A CG 1 ATOM 6133 C CD . ARG A 1 764 ? 13.750 23.383 39.970 1.00 49.73 ? 826 ARG A CD 1 ATOM 6134 N NE . ARG A 1 764 ? 14.543 23.453 41.186 1.00 51.35 ? 826 ARG A NE 1 ATOM 6135 C CZ . ARG A 1 764 ? 14.196 22.937 42.368 1.00 54.21 ? 826 ARG A CZ 1 ATOM 6136 N NH1 . ARG A 1 764 ? 13.049 22.269 42.538 1.00 53.42 ? 826 ARG A NH1 1 ATOM 6137 N NH2 . ARG A 1 764 ? 15.022 23.088 43.397 1.00 56.11 ? 826 ARG A NH2 1 ATOM 6138 N N . SER A 1 765 ? 10.229 26.420 42.788 1.00 45.93 ? 827 SER A N 1 ATOM 6139 C CA . SER A 1 765 ? 9.161 26.262 43.747 1.00 47.52 ? 827 SER A CA 1 ATOM 6140 C C . SER A 1 765 ? 7.954 27.133 43.401 1.00 47.74 ? 827 SER A C 1 ATOM 6141 O O . SER A 1 765 ? 6.809 26.670 43.444 1.00 46.64 ? 827 SER A O 1 ATOM 6142 C CB . SER A 1 765 ? 9.665 26.617 45.128 1.00 52.00 ? 827 SER A CB 1 ATOM 6143 O OG . SER A 1 765 ? 8.566 26.591 46.013 1.00 58.80 ? 827 SER A OG 1 ATOM 6144 N N . ALA A 1 766 ? 8.212 28.398 43.063 1.00 48.89 ? 828 ALA A N 1 ATOM 6145 C CA . ALA A 1 766 ? 7.132 29.348 42.734 1.00 45.82 ? 828 ALA A CA 1 ATOM 6146 C C . ALA A 1 766 ? 6.388 28.979 41.465 1.00 44.71 ? 828 ALA A C 1 ATOM 6147 O O . ALA A 1 766 ? 5.188 29.207 41.368 1.00 47.09 ? 828 ALA A O 1 ATOM 6148 C CB . ALA A 1 766 ? 7.669 30.761 42.634 1.00 44.07 ? 828 ALA A CB 1 ATOM 6149 N N . LEU A 1 767 ? 7.072 28.382 40.495 1.00 44.08 ? 829 LEU A N 1 ATOM 6150 C CA . LEU A 1 767 ? 6.397 27.942 39.272 1.00 45.03 ? 829 LEU A CA 1 ATOM 6151 C C . LEU A 1 767 ? 5.296 26.908 39.559 1.00 46.78 ? 829 LEU A C 1 ATOM 6152 O O . LEU A 1 767 ? 4.321 26.795 38.797 1.00 43.87 ? 829 LEU A O 1 ATOM 6153 C CB . LEU A 1 767 ? 7.401 27.403 38.246 1.00 46.45 ? 829 LEU A CB 1 ATOM 6154 C CG . LEU A 1 767 ? 8.284 28.492 37.609 1.00 45.88 ? 829 LEU A CG 1 ATOM 6155 C CD1 . LEU A 1 767 ? 9.618 27.939 37.140 1.00 46.48 ? 829 LEU A CD1 1 ATOM 6156 C CD2 . LEU A 1 767 ? 7.574 29.187 36.467 1.00 49.43 ? 829 LEU A CD2 1 ATOM 6157 N N . ALA A 1 768 ? 5.448 26.171 40.661 1.00 45.96 ? 830 ALA A N 1 ATOM 6158 C CA . ALA A 1 768 ? 4.434 25.180 41.065 1.00 45.96 ? 830 ALA A CA 1 ATOM 6159 C C . ALA A 1 768 ? 3.158 25.796 41.679 1.00 47.14 ? 830 ALA A C 1 ATOM 6160 O O . ALA A 1 768 ? 2.202 25.078 41.990 1.00 47.12 ? 830 ALA A O 1 ATOM 6161 C CB . ALA A 1 768 ? 5.044 24.152 41.991 1.00 43.83 ? 830 ALA A CB 1 ATOM 6162 N N . CYS A 1 769 ? 3.124 27.120 41.807 1.00 45.58 ? 831 CYS A N 1 ATOM 6163 C CA . CYS A 1 769 ? 2.001 27.817 42.445 1.00 45.58 ? 831 CYS A CA 1 ATOM 6164 C C . CYS A 1 769 ? 0.920 28.247 41.463 1.00 50.19 ? 831 CYS A C 1 ATOM 6165 O O . CYS A 1 769 ? -0.079 28.857 41.876 1.00 50.21 ? 831 CYS A O 1 ATOM 6166 C CB . CYS A 1 769 ? 2.494 29.046 43.217 1.00 48.00 ? 831 CYS A CB 1 ATOM 6167 S SG . CYS A 1 769 ? 3.590 28.676 44.612 1.00 51.69 ? 831 CYS A SG 1 ATOM 6168 N N . SER A 1 770 ? 1.096 27.945 40.176 1.00 46.09 ? 832 SER A N 1 ATOM 6169 C CA . SER A 1 770 ? 0.107 28.347 39.196 1.00 48.56 ? 832 SER A CA 1 ATOM 6170 C C . SER A 1 770 ? -1.225 27.695 39.529 1.00 47.25 ? 832 SER A C 1 ATOM 6171 O O . SER A 1 770 ? -1.239 26.585 40.054 1.00 45.38 ? 832 SER A O 1 ATOM 6172 C CB . SER A 1 770 ? 0.528 27.944 37.801 1.00 48.43 ? 832 SER A CB 1 ATOM 6173 O OG . SER A 1 770 ? -0.487 28.308 36.888 1.00 52.30 ? 832 SER A OG 1 ATOM 6174 N N . ASN A 1 771 ? -2.331 28.389 39.266 1.00 49.24 ? 833 ASN A N 1 ATOM 6175 C CA . ASN A 1 771 ? -3.664 27.789 39.452 1.00 52.77 ? 833 ASN A CA 1 ATOM 6176 C C . ASN A 1 771 ? -4.294 27.352 38.140 1.00 50.15 ? 833 ASN A C 1 ATOM 6177 O O . ASN A 1 771 ? -5.480 27.030 38.100 1.00 52.26 ? 833 ASN A O 1 ATOM 6178 C CB . ASN A 1 771 ? -4.601 28.717 40.248 1.00 51.16 ? 833 ASN A CB 1 ATOM 6179 C CG . ASN A 1 771 ? -4.130 28.910 41.692 1.00 53.68 ? 833 ASN A CG 1 ATOM 6180 O OD1 . ASN A 1 771 ? -3.505 28.032 42.284 1.00 57.89 ? 833 ASN A OD1 1 ATOM 6181 N ND2 . ASN A 1 771 ? -4.410 30.066 42.254 1.00 57.39 ? 833 ASN A ND2 1 ATOM 6182 N N . GLU A 1 772 ? -3.492 27.323 37.072 1.00 48.24 ? 834 GLU A N 1 ATOM 6183 C CA . GLU A 1 772 ? -3.913 26.762 35.780 1.00 53.18 ? 834 GLU A CA 1 ATOM 6184 C C . GLU A 1 772 ? -3.496 25.290 35.679 1.00 52.21 ? 834 GLU A C 1 ATOM 6185 O O . GLU A 1 772 ? -2.316 24.976 35.724 1.00 51.11 ? 834 GLU A O 1 ATOM 6186 C CB . GLU A 1 772 ? -3.273 27.521 34.605 1.00 57.58 ? 834 GLU A CB 1 ATOM 6187 C CG . GLU A 1 772 ? -3.450 29.027 34.633 1.00 56.99 ? 834 GLU A CG 1 ATOM 6188 C CD . GLU A 1 772 ? -4.793 29.461 34.142 1.00 71.11 ? 834 GLU A CD 1 ATOM 6189 O OE1 . GLU A 1 772 ? -5.069 30.683 34.228 1.00 81.15 ? 834 GLU A OE1 1 ATOM 6190 O OE2 . GLU A 1 772 ? -5.565 28.586 33.669 1.00 74.74 ? 834 GLU A OE2 1 ATOM 6191 N N . VAL A 1 773 ? -4.460 24.394 35.528 1.00 48.57 ? 835 VAL A N 1 ATOM 6192 C CA . VAL A 1 773 ? -4.176 22.961 35.379 1.00 53.54 ? 835 VAL A CA 1 ATOM 6193 C C . VAL A 1 773 ? -3.179 22.707 34.246 1.00 48.83 ? 835 VAL A C 1 ATOM 6194 O O . VAL A 1 773 ? -2.190 21.991 34.426 1.00 48.32 ? 835 VAL A O 1 ATOM 6195 C CB . VAL A 1 773 ? -5.492 22.166 35.175 1.00 53.87 ? 835 VAL A CB 1 ATOM 6196 C CG1 . VAL A 1 773 ? -5.247 20.747 34.653 1.00 46.26 ? 835 VAL A CG1 1 ATOM 6197 C CG2 . VAL A 1 773 ? -6.256 22.120 36.489 1.00 48.32 ? 835 VAL A CG2 1 ATOM 6198 N N . TRP A 1 774 ? -3.428 23.321 33.098 1.00 50.32 ? 836 TRP A N 1 ATOM 6199 C CA . TRP A 1 774 ? -2.606 23.091 31.922 1.00 54.42 ? 836 TRP A CA 1 ATOM 6200 C C . TRP A 1 774 ? -1.134 23.494 32.115 1.00 57.56 ? 836 TRP A C 1 ATOM 6201 O O . TRP A 1 774 ? -0.225 22.817 31.617 1.00 57.12 ? 836 TRP A O 1 ATOM 6202 C CB . TRP A 1 774 ? -3.221 23.765 30.708 1.00 55.62 ? 836 TRP A CB 1 ATOM 6203 C CG . TRP A 1 774 ? -2.971 25.218 30.594 1.00 56.14 ? 836 TRP A CG 1 ATOM 6204 C CD1 . TRP A 1 774 ? -3.702 26.244 31.136 1.00 59.96 ? 836 TRP A CD1 1 ATOM 6205 C CD2 . TRP A 1 774 ? -1.919 25.816 29.857 1.00 57.31 ? 836 TRP A CD2 1 ATOM 6206 N NE1 . TRP A 1 774 ? -3.149 27.462 30.779 1.00 57.62 ? 836 TRP A NE1 1 ATOM 6207 C CE2 . TRP A 1 774 ? -2.055 27.220 29.988 1.00 57.93 ? 836 TRP A CE2 1 ATOM 6208 C CE3 . TRP A 1 774 ? -0.862 25.303 29.094 1.00 56.03 ? 836 TRP A CE3 1 ATOM 6209 C CZ2 . TRP A 1 774 ? -1.169 28.112 29.381 1.00 51.02 ? 836 TRP A CZ2 1 ATOM 6210 C CZ3 . TRP A 1 774 ? 0.019 26.188 28.495 1.00 56.71 ? 836 TRP A CZ3 1 ATOM 6211 C CH2 . TRP A 1 774 ? -0.139 27.575 28.643 1.00 56.88 ? 836 TRP A CH2 1 ATOM 6212 N N . LEU A 1 775 ? -0.892 24.582 32.843 1.00 50.58 ? 837 LEU A N 1 ATOM 6213 C CA . LEU A 1 775 ? 0.490 24.993 33.136 1.00 51.99 ? 837 LEU A CA 1 ATOM 6214 C C . LEU A 1 775 ? 1.179 24.026 34.090 1.00 47.66 ? 837 LEU A C 1 ATOM 6215 O O . LEU A 1 775 ? 2.368 23.755 33.948 1.00 51.22 ? 837 LEU A O 1 ATOM 6216 C CB . LEU A 1 775 ? 0.551 26.416 33.712 1.00 52.08 ? 837 LEU A CB 1 ATOM 6217 C CG . LEU A 1 775 ? 0.369 27.597 32.751 1.00 54.75 ? 837 LEU A CG 1 ATOM 6218 C CD1 . LEU A 1 775 ? 0.284 28.911 33.514 1.00 52.35 ? 837 LEU A CD1 1 ATOM 6219 C CD2 . LEU A 1 775 ? 1.487 27.651 31.725 1.00 52.79 ? 837 LEU A CD2 1 ATOM 6220 N N . LEU A 1 776 ? 0.434 23.512 35.063 1.00 46.91 ? 838 LEU A N 1 ATOM 6221 C CA . LEU A 1 776 ? 0.976 22.507 35.981 1.00 49.39 ? 838 LEU A CA 1 ATOM 6222 C C . LEU A 1 776 ? 1.318 21.191 35.274 1.00 49.74 ? 838 LEU A C 1 ATOM 6223 O O . LEU A 1 776 ? 2.322 20.549 35.606 1.00 48.51 ? 838 LEU A O 1 ATOM 6224 C CB . LEU A 1 776 ? 0.026 22.252 37.163 1.00 47.75 ? 838 LEU A CB 1 ATOM 6225 C CG . LEU A 1 776 ? -0.163 23.400 38.162 1.00 46.49 ? 838 LEU A CG 1 ATOM 6226 C CD1 . LEU A 1 776 ? -1.075 22.960 39.283 1.00 48.52 ? 838 LEU A CD1 1 ATOM 6227 C CD2 . LEU A 1 776 ? 1.137 23.941 38.763 1.00 43.74 ? 838 LEU A CD2 1 ATOM 6228 N N . ASN A 1 777 ? 0.494 20.788 34.315 1.00 46.85 ? 839 ASN A N 1 ATOM 6229 C CA . ASN A 1 777 ? 0.763 19.555 33.587 1.00 50.38 ? 839 ASN A CA 1 ATOM 6230 C C . ASN A 1 777 ? 1.920 19.706 32.623 1.00 52.60 ? 839 ASN A C 1 ATOM 6231 O O . ASN A 1 777 ? 2.746 18.805 32.509 1.00 55.08 ? 839 ASN A O 1 ATOM 6232 C CB . ASN A 1 777 ? -0.459 19.081 32.826 1.00 48.57 ? 839 ASN A CB 1 ATOM 6233 C CG . ASN A 1 777 ? -1.341 18.149 33.637 1.00 51.66 ? 839 ASN A CG 1 ATOM 6234 O OD1 . ASN A 1 777 ? -0.932 17.580 34.647 1.00 48.06 ? 839 ASN A OD1 1 ATOM 6235 N ND2 . ASN A 1 777 ? -2.558 17.973 33.171 1.00 54.61 ? 839 ASN A ND2 1 ATOM 6236 N N . ARG A 1 778 ? 1.967 20.847 31.937 1.00 50.38 ? 840 ARG A N 1 ATOM 6237 C CA . ARG A 1 778 ? 3.088 21.189 31.081 1.00 51.99 ? 840 ARG A CA 1 ATOM 6238 C C . ARG A 1 778 ? 4.376 21.203 31.906 1.00 52.44 ? 840 ARG A C 1 ATOM 6239 O O . ARG A 1 778 ? 5.416 20.720 31.457 1.00 55.96 ? 840 ARG A O 1 ATOM 6240 C CB . ARG A 1 778 ? 2.870 22.549 30.410 1.00 56.52 ? 840 ARG A CB 1 ATOM 6241 C CG . ARG A 1 778 ? 3.893 22.882 29.325 1.00 54.87 ? 840 ARG A CG 1 ATOM 6242 C CD . ARG A 1 778 ? 3.599 24.205 28.624 1.00 51.53 ? 840 ARG A CD 1 ATOM 6243 N NE . ARG A 1 778 ? 3.979 25.332 29.464 1.00 50.69 ? 840 ARG A NE 1 ATOM 6244 C CZ . ARG A 1 778 ? 3.959 26.610 29.096 1.00 52.67 ? 840 ARG A CZ 1 ATOM 6245 N NH1 . ARG A 1 778 ? 3.551 26.960 27.890 1.00 57.93 ? 840 ARG A NH1 1 ATOM 6246 N NH2 . ARG A 1 778 ? 4.351 27.553 29.951 1.00 50.86 ? 840 ARG A NH2 1 ATOM 6247 N N . TYR A 1 779 ? 4.299 21.744 33.117 1.00 47.63 ? 841 TYR A N 1 ATOM 6248 C CA . TYR A 1 779 ? 5.451 21.804 34.018 1.00 51.92 ? 841 TYR A CA 1 ATOM 6249 C C . TYR A 1 779 ? 5.899 20.412 34.421 1.00 53.51 ? 841 TYR A C 1 ATOM 6250 O O . TYR A 1 779 ? 7.093 20.110 34.394 1.00 51.88 ? 841 TYR A O 1 ATOM 6251 C CB . TYR A 1 779 ? 5.105 22.608 35.273 1.00 49.16 ? 841 TYR A CB 1 ATOM 6252 C CG . TYR A 1 779 ? 6.261 23.023 36.167 1.00 50.44 ? 841 TYR A CG 1 ATOM 6253 C CD1 . TYR A 1 779 ? 7.598 22.948 35.748 1.00 49.62 ? 841 TYR A CD1 1 ATOM 6254 C CD2 . TYR A 1 779 ? 5.998 23.548 37.422 1.00 48.25 ? 841 TYR A CD2 1 ATOM 6255 C CE1 . TYR A 1 779 ? 8.630 23.357 36.590 1.00 50.72 ? 841 TYR A CE1 1 ATOM 6256 C CE2 . TYR A 1 779 ? 7.015 23.960 38.265 1.00 47.07 ? 841 TYR A CE2 1 ATOM 6257 C CZ . TYR A 1 779 ? 8.329 23.873 37.843 1.00 48.80 ? 841 TYR A CZ 1 ATOM 6258 O OH . TYR A 1 779 ? 9.324 24.304 38.676 1.00 46.98 ? 841 TYR A OH 1 ATOM 6259 N N . LEU A 1 780 ? 4.937 19.576 34.809 1.00 53.97 ? 842 LEU A N 1 ATOM 6260 C CA . LEU A 1 780 ? 5.221 18.178 35.117 1.00 52.84 ? 842 LEU A CA 1 ATOM 6261 C C . LEU A 1 780 ? 5.947 17.490 33.953 1.00 56.43 ? 842 LEU A C 1 ATOM 6262 O O . LEU A 1 780 ? 6.913 16.753 34.165 1.00 56.05 ? 842 LEU A O 1 ATOM 6263 C CB . LEU A 1 780 ? 3.944 17.421 35.464 1.00 48.10 ? 842 LEU A CB 1 ATOM 6264 C CG . LEU A 1 780 ? 3.283 17.623 36.820 1.00 50.81 ? 842 LEU A CG 1 ATOM 6265 C CD1 . LEU A 1 780 ? 1.885 17.014 36.789 1.00 51.17 ? 842 LEU A CD1 1 ATOM 6266 C CD2 . LEU A 1 780 ? 4.102 16.969 37.918 1.00 49.92 ? 842 LEU A CD2 1 ATOM 6267 N N . GLY A 1 781 ? 5.501 17.750 32.729 1.00 55.19 ? 843 GLY A N 1 ATOM 6268 C CA . GLY A 1 781 ? 6.137 17.176 31.541 1.00 59.27 ? 843 GLY A CA 1 ATOM 6269 C C . GLY A 1 781 ? 7.594 17.577 31.401 1.00 56.28 ? 843 GLY A C 1 ATOM 6270 O O . GLY A 1 781 ? 8.391 16.843 30.822 1.00 67.55 ? 843 GLY A O 1 ATOM 6271 N N . TYR A 1 782 ? 7.941 18.746 31.936 1.00 55.67 ? 844 TYR A N 1 ATOM 6272 C CA . TYR A 1 782 ? 9.319 19.214 31.921 1.00 56.97 ? 844 TYR A CA 1 ATOM 6273 C C . TYR A 1 782 ? 10.205 18.513 32.937 1.00 61.56 ? 844 TYR A C 1 ATOM 6274 O O . TYR A 1 782 ? 11.431 18.489 32.775 1.00 58.72 ? 844 TYR A O 1 ATOM 6275 C CB . TYR A 1 782 ? 9.387 20.712 32.221 1.00 54.46 ? 844 TYR A CB 1 ATOM 6276 C CG . TYR A 1 782 ? 8.722 21.629 31.211 1.00 58.17 ? 844 TYR A CG 1 ATOM 6277 C CD1 . TYR A 1 782 ? 8.369 21.191 29.931 1.00 61.76 ? 844 TYR A CD1 1 ATOM 6278 C CD2 . TYR A 1 782 ? 8.475 22.960 31.533 1.00 57.66 ? 844 TYR A CD2 1 ATOM 6279 C CE1 . TYR A 1 782 ? 7.770 22.056 29.017 1.00 61.00 ? 844 TYR A CE1 1 ATOM 6280 C CE2 . TYR A 1 782 ? 7.885 23.827 30.629 1.00 59.72 ? 844 TYR A CE2 1 ATOM 6281 C CZ . TYR A 1 782 ? 7.530 23.374 29.376 1.00 58.97 ? 844 TYR A CZ 1 ATOM 6282 O OH . TYR A 1 782 ? 6.930 24.246 28.498 1.00 63.59 ? 844 TYR A OH 1 ATOM 6283 N N . THR A 1 783 ? 9.617 17.965 33.995 1.00 58.77 ? 845 THR A N 1 ATOM 6284 C CA . THR A 1 783 ? 10.429 17.481 35.114 1.00 58.74 ? 845 THR A CA 1 ATOM 6285 C C . THR A 1 783 ? 11.344 16.328 34.741 1.00 60.30 ? 845 THR A C 1 ATOM 6286 O O . THR A 1 783 ? 12.362 16.106 35.409 1.00 63.26 ? 845 THR A O 1 ATOM 6287 C CB . THR A 1 783 ? 9.581 17.041 36.318 1.00 57.72 ? 845 THR A CB 1 ATOM 6288 O OG1 . THR A 1 783 ? 8.688 15.996 35.916 1.00 58.22 ? 845 THR A OG1 1 ATOM 6289 C CG2 . THR A 1 783 ? 8.803 18.231 36.892 1.00 55.07 ? 845 THR A CG2 1 ATOM 6290 N N . LEU A 1 784 ? 10.980 15.594 33.689 1.00 66.90 ? 846 LEU A N 1 ATOM 6291 C CA . LEU A 1 784 ? 11.747 14.424 33.265 1.00 69.37 ? 846 LEU A CA 1 ATOM 6292 C C . LEU A 1 784 ? 12.733 14.758 32.161 1.00 76.94 ? 846 LEU A C 1 ATOM 6293 O O . LEU A 1 784 ? 13.372 13.869 31.605 1.00 81.83 ? 846 LEU A O 1 ATOM 6294 C CB . LEU A 1 784 ? 10.808 13.316 32.801 1.00 67.66 ? 846 LEU A CB 1 ATOM 6295 C CG . LEU A 1 784 ? 9.746 12.915 33.818 1.00 73.07 ? 846 LEU A CG 1 ATOM 6296 C CD1 . LEU A 1 784 ? 8.854 11.840 33.225 1.00 82.18 ? 846 LEU A CD1 1 ATOM 6297 C CD2 . LEU A 1 784 ? 10.385 12.452 35.122 1.00 70.69 ? 846 LEU A CD2 1 ATOM 6298 N N . ASN A 1 785 ? 12.856 16.045 31.857 1.00 78.04 ? 847 ASN A N 1 ATOM 6299 C CA . ASN A 1 785 ? 13.780 16.514 30.854 1.00 72.27 ? 847 ASN A CA 1 ATOM 6300 C C . ASN A 1 785 ? 14.997 17.169 31.507 1.00 74.84 ? 847 ASN A C 1 ATOM 6301 O O . ASN A 1 785 ? 14.859 18.235 32.121 1.00 67.90 ? 847 ASN A O 1 ATOM 6302 C CB . ASN A 1 785 ? 13.081 17.501 29.937 1.00 64.56 ? 847 ASN A CB 1 ATOM 6303 C CG . ASN A 1 785 ? 13.946 17.921 28.774 1.00 70.30 ? 847 ASN A CG 1 ATOM 6304 O OD1 . ASN A 1 785 ? 15.142 17.635 28.726 1.00 81.03 ? 847 ASN A OD1 1 ATOM 6305 N ND2 . ASN A 1 785 ? 13.342 18.613 27.822 1.00 70.70 ? 847 ASN A ND2 1 ATOM 6306 N N . PRO A 1 786 ? 16.188 16.531 31.374 1.00 74.24 ? 848 PRO A N 1 ATOM 6307 C CA . PRO A 1 786 ? 17.431 17.043 31.957 1.00 73.09 ? 848 PRO A CA 1 ATOM 6308 C C . PRO A 1 786 ? 17.905 18.321 31.298 1.00 70.54 ? 848 PRO A C 1 ATOM 6309 O O . PRO A 1 786 ? 18.714 19.030 31.876 1.00 76.51 ? 848 PRO A O 1 ATOM 6310 C CB . PRO A 1 786 ? 18.458 15.925 31.699 1.00 76.33 ? 848 PRO A CB 1 ATOM 6311 C CG . PRO A 1 786 ? 17.677 14.744 31.247 1.00 80.22 ? 848 PRO A CG 1 ATOM 6312 C CD . PRO A 1 786 ? 16.396 15.254 30.671 1.00 76.06 ? 848 PRO A CD 1 ATOM 6313 N N . ASP A 1 787 ? 17.422 18.612 30.093 1.00 75.42 ? 849 ASP A N 1 ATOM 6314 C CA . ASP A 1 787 ? 17.719 19.892 29.448 1.00 81.52 ? 849 ASP A CA 1 ATOM 6315 C C . ASP A 1 787 ? 16.993 21.058 30.136 1.00 78.17 ? 849 ASP A C 1 ATOM 6316 O O . ASP A 1 787 ? 17.479 22.189 30.108 1.00 84.83 ? 849 ASP A O 1 ATOM 6317 C CB . ASP A 1 787 ? 17.381 19.840 27.951 1.00 78.65 ? 849 ASP A CB 1 ATOM 6318 C CG . ASP A 1 787 ? 18.204 18.807 27.205 1.00 77.32 ? 849 ASP A CG 1 ATOM 6319 O OD1 . ASP A 1 787 ? 19.455 18.848 27.301 1.00 85.80 ? 849 ASP A OD1 1 ATOM 6320 O OD2 . ASP A 1 787 ? 17.595 17.948 26.526 1.00 91.77 ? 849 ASP A OD2 1 ATOM 6321 N N . LEU A 1 788 ? 15.851 20.779 30.770 1.00 71.42 ? 850 LEU A N 1 ATOM 6322 C CA . LEU A 1 788 ? 15.032 21.817 31.408 1.00 61.60 ? 850 LEU A CA 1 ATOM 6323 C C . LEU A 1 788 ? 15.014 21.768 32.930 1.00 63.78 ? 850 LEU A C 1 ATOM 6324 O O . LEU A 1 788 ? 15.026 22.816 33.593 1.00 61.15 ? 850 LEU A O 1 ATOM 6325 C CB . LEU A 1 788 ? 13.594 21.738 30.897 1.00 63.83 ? 850 LEU A CB 1 ATOM 6326 C CG . LEU A 1 788 ? 13.449 21.791 29.379 1.00 67.38 ? 850 LEU A CG 1 ATOM 6327 C CD1 . LEU A 1 788 ? 12.014 21.497 28.966 1.00 64.37 ? 850 LEU A CD1 1 ATOM 6328 C CD2 . LEU A 1 788 ? 13.926 23.137 28.833 1.00 69.41 ? 850 LEU A CD2 1 ATOM 6329 N N . ILE A 1 789 ? 14.944 20.556 33.473 1.00 60.76 ? 851 ILE A N 1 ATOM 6330 C CA . ILE A 1 789 ? 14.963 20.340 34.922 1.00 63.52 ? 851 ILE A CA 1 ATOM 6331 C C . ILE A 1 789 ? 16.046 19.308 35.257 1.00 63.59 ? 851 ILE A C 1 ATOM 6332 O O . ILE A 1 789 ? 15.958 18.148 34.843 1.00 70.45 ? 851 ILE A O 1 ATOM 6333 C CB . ILE A 1 789 ? 13.578 19.870 35.452 1.00 65.75 ? 851 ILE A CB 1 ATOM 6334 C CG1 . ILE A 1 789 ? 12.466 20.913 35.174 1.00 59.34 ? 851 ILE A CG1 1 ATOM 6335 C CG2 . ILE A 1 789 ? 13.654 19.505 36.941 1.00 67.69 ? 851 ILE A CG2 1 ATOM 6336 C CD1 . ILE A 1 789 ? 12.601 22.212 35.942 1.00 63.75 ? 851 ILE A CD1 1 ATOM 6337 N N . ARG A 1 790 ? 17.070 19.733 35.993 1.00 64.85 ? 852 ARG A N 1 ATOM 6338 C CA . ARG A 1 790 ? 18.121 18.815 36.439 1.00 71.29 ? 852 ARG A CA 1 ATOM 6339 C C . ARG A 1 790 ? 17.494 17.587 37.066 1.00 67.93 ? 852 ARG A C 1 ATOM 6340 O O . ARG A 1 790 ? 16.529 17.705 37.824 1.00 76.51 ? 852 ARG A O 1 ATOM 6341 C CB . ARG A 1 790 ? 19.014 19.481 37.485 1.00 75.12 ? 852 ARG A CB 1 ATOM 6342 C CG . ARG A 1 790 ? 19.914 20.581 36.955 1.00 73.62 ? 852 ARG A CG 1 ATOM 6343 C CD . ARG A 1 790 ? 20.066 21.708 37.971 1.00 82.06 ? 852 ARG A CD 1 ATOM 6344 N NE . ARG A 1 790 ? 20.763 21.296 39.198 1.00 93.59 ? 852 ARG A NE 1 ATOM 6345 C CZ . ARG A 1 790 ? 20.767 21.983 40.345 1.00 86.57 ? 852 ARG A CZ 1 ATOM 6346 N NH1 . ARG A 1 790 ? 20.098 23.123 40.459 1.00 97.39 ? 852 ARG A NH1 1 ATOM 6347 N NH2 . ARG A 1 790 ? 21.430 21.524 41.398 1.00 94.93 ? 852 ARG A NH2 1 ATOM 6348 N N . LYS A 1 791 ? 18.037 16.410 36.772 1.00 77.15 ? 853 LYS A N 1 ATOM 6349 C CA . LYS A 1 791 ? 17.491 15.168 37.336 1.00 85.15 ? 853 LYS A CA 1 ATOM 6350 C C . LYS A 1 791 ? 17.411 15.227 38.860 1.00 67.23 ? 853 LYS A C 1 ATOM 6351 O O . LYS A 1 791 ? 16.439 14.775 39.455 1.00 73.23 ? 853 LYS A O 1 ATOM 6352 C CB . LYS A 1 791 ? 18.295 13.935 36.892 1.00 98.03 ? 853 LYS A CB 1 ATOM 6353 C CG . LYS A 1 791 ? 18.168 13.575 35.402 1.00 100.95 ? 853 LYS A CG 1 ATOM 6354 C CD . LYS A 1 791 ? 17.887 12.085 35.188 1.00 102.92 ? 853 LYS A CD 1 ATOM 6355 C CE . LYS A 1 791 ? 17.532 11.732 33.743 1.00 102.20 ? 853 LYS A CE 1 ATOM 6356 N NZ . LYS A 1 791 ? 18.744 11.364 32.960 1.00 99.83 ? 853 LYS A NZ 1 ATOM 6357 N N . GLN A 1 792 ? 18.435 15.798 39.484 1.00 79.47 ? 854 GLN A N 1 ATOM 6358 C CA . GLN A 1 792 ? 18.487 15.940 40.940 1.00 83.96 ? 854 GLN A CA 1 ATOM 6359 C C . GLN A 1 792 ? 17.399 16.877 41.517 1.00 79.93 ? 854 GLN A C 1 ATOM 6360 O O . GLN A 1 792 ? 17.184 16.918 42.735 1.00 72.27 ? 854 GLN A O 1 ATOM 6361 C CB . GLN A 1 792 ? 19.873 16.420 41.355 1.00 85.11 ? 854 GLN A CB 1 ATOM 6362 C CG . GLN A 1 792 ? 20.290 17.729 40.696 1.00 86.40 ? 854 GLN A CG 1 ATOM 6363 C CD . GLN A 1 792 ? 21.600 18.268 41.216 1.00 89.56 ? 854 GLN A CD 1 ATOM 6364 O OE1 . GLN A 1 792 ? 22.370 18.861 40.468 1.00 85.76 ? 854 GLN A OE1 1 ATOM 6365 N NE2 . GLN A 1 792 ? 21.860 18.074 42.504 1.00 94.34 ? 854 GLN A NE2 1 ATOM 6366 N N . ASP A 1 793 ? 16.725 17.625 40.642 1.00 66.33 ? 855 ASP A N 1 ATOM 6367 C CA . ASP A 1 793 ? 15.628 18.512 41.044 1.00 65.21 ? 855 ASP A CA 1 ATOM 6368 C C . ASP A 1 793 ? 14.261 18.001 40.621 1.00 61.99 ? 855 ASP A C 1 ATOM 6369 O O . ASP A 1 793 ? 13.257 18.672 40.869 1.00 66.58 ? 855 ASP A O 1 ATOM 6370 C CB . ASP A 1 793 ? 15.806 19.893 40.423 1.00 67.76 ? 855 ASP A CB 1 ATOM 6371 C CG . ASP A 1 793 ? 17.009 20.626 40.961 1.00 62.07 ? 855 ASP A CG 1 ATOM 6372 O OD1 . ASP A 1 793 ? 17.512 20.283 42.055 1.00 70.02 ? 855 ASP A OD1 1 ATOM 6373 O OD2 . ASP A 1 793 ? 17.449 21.573 40.280 1.00 72.38 ? 855 ASP A OD2 1 ATOM 6374 N N . ALA A 1 794 ? 14.224 16.835 39.977 1.00 60.88 ? 856 ALA A N 1 ATOM 6375 C CA . ALA A 1 794 ? 13.002 16.332 39.362 1.00 62.70 ? 856 ALA A CA 1 ATOM 6376 C C . ALA A 1 794 ? 11.937 16.001 40.393 1.00 57.22 ? 856 ALA A C 1 ATOM 6377 O O . ALA A 1 794 ? 10.795 16.468 40.288 1.00 52.85 ? 856 ALA A O 1 ATOM 6378 C CB . ALA A 1 794 ? 13.305 15.107 38.503 1.00 68.18 ? 856 ALA A CB 1 ATOM 6379 N N . THR A 1 795 ? 12.310 15.180 41.380 1.00 59.57 ? 857 THR A N 1 ATOM 6380 C CA . THR A 1 795 ? 11.343 14.720 42.369 1.00 61.30 ? 857 THR A CA 1 ATOM 6381 C C . THR A 1 795 ? 10.872 15.870 43.252 1.00 57.51 ? 857 THR A C 1 ATOM 6382 O O . THR A 1 795 ? 9.707 15.936 43.626 1.00 59.92 ? 857 THR A O 1 ATOM 6383 C CB . THR A 1 795 ? 11.872 13.559 43.239 1.00 62.86 ? 857 THR A CB 1 ATOM 6384 O OG1 . THR A 1 795 ? 12.960 14.010 44.060 1.00 65.31 ? 857 THR A OG1 1 ATOM 6385 C CG2 . THR A 1 795 ? 12.310 12.392 42.359 1.00 67.21 ? 857 THR A CG2 1 ATOM 6386 N N . SER A 1 796 ? 11.784 16.781 43.556 1.00 52.97 ? 858 SER A N 1 ATOM 6387 C CA . SER A 1 796 ? 11.488 17.933 44.380 1.00 56.32 ? 858 SER A CA 1 ATOM 6388 C C . SER A 1 796 ? 10.462 18.857 43.694 1.00 55.51 ? 858 SER A C 1 ATOM 6389 O O . SER A 1 796 ? 9.533 19.361 44.326 1.00 54.00 ? 858 SER A O 1 ATOM 6390 C CB . SER A 1 796 ? 12.803 18.664 44.649 1.00 59.40 ? 858 SER A CB 1 ATOM 6391 O OG . SER A 1 796 ? 12.614 19.752 45.497 1.00 76.52 ? 858 SER A OG 1 ATOM 6392 N N . THR A 1 797 ? 10.632 19.045 42.387 1.00 48.52 ? 859 THR A N 1 ATOM 6393 C CA . THR A 1 797 ? 9.708 19.827 41.564 1.00 49.13 ? 859 THR A CA 1 ATOM 6394 C C . THR A 1 797 ? 8.322 19.181 41.518 1.00 50.24 ? 859 THR A C 1 ATOM 6395 O O . THR A 1 797 ? 7.322 19.863 41.724 1.00 52.30 ? 859 THR A O 1 ATOM 6396 C CB . THR A 1 797 ? 10.270 20.018 40.136 1.00 53.55 ? 859 THR A CB 1 ATOM 6397 O OG1 . THR A 1 797 ? 11.587 20.587 40.223 1.00 53.00 ? 859 THR A OG1 1 ATOM 6398 C CG2 . THR A 1 797 ? 9.400 20.947 39.320 1.00 49.43 ? 859 THR A CG2 1 ATOM 6399 N N . ILE A 1 798 ? 8.266 17.873 41.268 1.00 48.67 ? 860 ILE A N 1 ATOM 6400 C CA . ILE A 1 798 ? 6.993 17.147 41.274 1.00 49.88 ? 860 ILE A CA 1 ATOM 6401 C C . ILE A 1 798 ? 6.280 17.328 42.613 1.00 48.96 ? 860 ILE A C 1 ATOM 6402 O O . ILE A 1 798 ? 5.061 17.507 42.637 1.00 50.06 ? 860 ILE A O 1 ATOM 6403 C CB . ILE A 1 798 ? 7.184 15.645 40.985 1.00 50.52 ? 860 ILE A CB 1 ATOM 6404 C CG1 . ILE A 1 798 ? 7.646 15.454 39.537 1.00 55.11 ? 860 ILE A CG1 1 ATOM 6405 C CG2 . ILE A 1 798 ? 5.881 14.879 41.217 1.00 52.59 ? 860 ILE A CG2 1 ATOM 6406 C CD1 . ILE A 1 798 ? 8.235 14.093 39.220 1.00 51.11 ? 860 ILE A CD1 1 ATOM 6407 N N . ASN A 1 799 ? 7.042 17.279 43.706 1.00 50.76 ? 861 ASN A N 1 ATOM 6408 C CA . ASN A 1 799 ? 6.502 17.480 45.054 1.00 48.76 ? 861 ASN A CA 1 ATOM 6409 C C . ASN A 1 799 ? 5.970 18.882 45.293 1.00 50.63 ? 861 ASN A C 1 ATOM 6410 O O . ASN A 1 799 ? 4.914 19.054 45.900 1.00 50.17 ? 861 ASN A O 1 ATOM 6411 C CB . ASN A 1 799 ? 7.529 17.084 46.132 1.00 47.87 ? 861 ASN A CB 1 ATOM 6412 C CG . ASN A 1 799 ? 7.526 15.598 46.381 1.00 63.43 ? 861 ASN A CG 1 ATOM 6413 O OD1 . ASN A 1 799 ? 6.532 14.919 46.098 1.00 66.94 ? 861 ASN A OD1 1 ATOM 6414 N ND2 . ASN A 1 799 ? 8.642 15.065 46.888 1.00 60.58 ? 861 ASN A ND2 1 ATOM 6415 N N . SER A 1 800 ? 6.687 19.885 44.804 1.00 48.31 ? 862 SER A N 1 ATOM 6416 C CA . SER A 1 800 ? 6.159 21.249 44.804 1.00 48.02 ? 862 SER A CA 1 ATOM 6417 C C . SER A 1 800 ? 4.816 21.347 44.078 1.00 45.23 ? 862 SER A C 1 ATOM 6418 O O . SER A 1 800 ? 3.911 22.011 44.558 1.00 49.11 ? 862 SER A O 1 ATOM 6419 C CB . SER A 1 800 ? 7.158 22.218 44.188 1.00 44.79 ? 862 SER A CB 1 ATOM 6420 O OG . SER A 1 800 ? 8.311 22.306 45.027 1.00 50.62 ? 862 SER A OG 1 ATOM 6421 N N . ILE A 1 801 ? 4.695 20.684 42.928 1.00 45.49 ? 863 ILE A N 1 ATOM 6422 C CA . ILE A 1 801 ? 3.445 20.674 42.180 1.00 46.54 ? 863 ILE A CA 1 ATOM 6423 C C . ILE A 1 801 ? 2.350 19.969 42.992 1.00 46.01 ? 863 ILE A C 1 ATOM 6424 O O . ILE A 1 801 ? 1.220 20.452 43.078 1.00 46.82 ? 863 ILE A O 1 ATOM 6425 C CB . ILE A 1 801 ? 3.642 20.040 40.793 1.00 45.17 ? 863 ILE A CB 1 ATOM 6426 C CG1 . ILE A 1 801 ? 4.551 20.944 39.959 1.00 47.25 ? 863 ILE A CG1 1 ATOM 6427 C CG2 . ILE A 1 801 ? 2.310 19.842 40.081 1.00 42.77 ? 863 ILE A CG2 1 ATOM 6428 C CD1 . ILE A 1 801 ? 5.150 20.279 38.741 1.00 45.78 ? 863 ILE A CD1 1 ATOM 6429 N N . ALA A 1 802 ? 2.708 18.853 43.619 1.00 49.56 ? 864 ALA A N 1 ATOM 6430 C CA . ALA A 1 802 ? 1.781 18.101 44.478 1.00 48.37 ? 864 ALA A CA 1 ATOM 6431 C C . ALA A 1 802 ? 1.271 18.931 45.651 1.00 47.39 ? 864 ALA A C 1 ATOM 6432 O O . ALA A 1 802 ? 0.125 18.774 46.066 1.00 46.57 ? 864 ALA A O 1 ATOM 6433 C CB . ALA A 1 802 ? 2.433 16.816 44.985 1.00 47.09 ? 864 ALA A CB 1 ATOM 6434 N N . SER A 1 803 ? 2.137 19.796 46.178 1.00 47.79 ? 865 SER A N 1 ATOM 6435 C CA . SER A 1 803 ? 1.790 20.698 47.273 1.00 47.79 ? 865 SER A CA 1 ATOM 6436 C C . SER A 1 803 ? 0.689 21.640 46.913 1.00 46.50 ? 865 SER A C 1 ATOM 6437 O O . SER A 1 803 ? -0.061 22.038 47.778 1.00 44.57 ? 865 SER A O 1 ATOM 6438 C CB . SER A 1 803 ? 2.985 21.547 47.677 1.00 49.57 ? 865 SER A CB 1 ATOM 6439 O OG . SER A 1 803 ? 3.746 20.815 48.584 1.00 56.20 ? 865 SER A OG 1 ATOM 6440 N N . ASN A 1 804 ? 0.626 22.026 45.644 1.00 45.04 ? 866 ASN A N 1 ATOM 6441 C CA . ASN A 1 804 ? -0.501 22.807 45.137 1.00 45.42 ? 866 ASN A CA 1 ATOM 6442 C C . ASN A 1 804 ? -1.774 21.941 45.130 1.00 50.22 ? 866 ASN A C 1 ATOM 6443 O O . ASN A 1 804 ? -1.828 20.877 44.508 1.00 45.86 ? 866 ASN A O 1 ATOM 6444 C CB . ASN A 1 804 ? -0.168 23.333 43.749 1.00 45.32 ? 866 ASN A CB 1 ATOM 6445 C CG . ASN A 1 804 ? -1.206 24.290 43.185 1.00 50.91 ? 866 ASN A CG 1 ATOM 6446 O OD1 . ASN A 1 804 ? -2.406 24.207 43.467 1.00 48.44 ? 866 ASN A OD1 1 ATOM 6447 N ND2 . ASN A 1 804 ? -0.741 25.186 42.328 1.00 51.85 ? 866 ASN A ND2 1 ATOM 6448 N N . VAL A 1 805 ? -2.799 22.409 45.834 1.00 51.14 ? 867 VAL A N 1 ATOM 6449 C CA . VAL A 1 805 ? -4.045 21.650 45.987 1.00 49.19 ? 867 VAL A CA 1 ATOM 6450 C C . VAL A 1 805 ? -4.620 21.223 44.621 1.00 49.10 ? 867 VAL A C 1 ATOM 6451 O O . VAL A 1 805 ? -5.209 20.153 44.477 1.00 51.16 ? 867 VAL A O 1 ATOM 6452 C CB . VAL A 1 805 ? -5.053 22.468 46.839 1.00 50.57 ? 867 VAL A CB 1 ATOM 6453 C CG1 . VAL A 1 805 ? -5.661 23.620 46.048 1.00 46.08 ? 867 VAL A CG1 1 ATOM 6454 C CG2 . VAL A 1 805 ? -6.132 21.587 47.401 1.00 53.97 ? 867 VAL A CG2 1 ATOM 6455 N N . ILE A 1 806 ? -4.425 22.079 43.620 1.00 48.38 ? 868 ILE A N 1 ATOM 6456 C CA . ILE A 1 806 ? -4.814 21.792 42.250 1.00 50.57 ? 868 ILE A CA 1 ATOM 6457 C C . ILE A 1 806 ? -3.838 20.805 41.592 1.00 49.08 ? 868 ILE A C 1 ATOM 6458 O O . ILE A 1 806 ? -4.244 19.993 40.750 1.00 44.87 ? 868 ILE A O 1 ATOM 6459 C CB . ILE A 1 806 ? -4.880 23.099 41.442 1.00 50.18 ? 868 ILE A CB 1 ATOM 6460 C CG1 . ILE A 1 806 ? -6.030 23.980 41.963 1.00 48.45 ? 868 ILE A CG1 1 ATOM 6461 C CG2 . ILE A 1 806 ? -5.050 22.822 39.961 1.00 50.31 ? 868 ILE A CG2 1 ATOM 6462 C CD1 . ILE A 1 806 ? -6.030 25.389 41.419 1.00 51.55 ? 868 ILE A CD1 1 ATOM 6463 N N . GLY A 1 807 ? -2.558 20.894 41.964 1.00 46.68 ? 869 GLY A N 1 ATOM 6464 C CA . GLY A 1 807 ? -1.523 20.017 41.402 1.00 50.78 ? 869 GLY A CA 1 ATOM 6465 C C . GLY A 1 807 ? -1.481 18.620 42.006 1.00 49.13 ? 869 GLY A C 1 ATOM 6466 O O . GLY A 1 807 ? -0.816 17.730 41.472 1.00 51.38 ? 869 GLY A O 1 ATOM 6467 N N . GLN A 1 808 ? -2.174 18.434 43.129 1.00 46.96 ? 870 GLN A N 1 ATOM 6468 C CA . GLN A 1 808 ? -2.226 17.153 43.837 1.00 50.38 ? 870 GLN A CA 1 ATOM 6469 C C . GLN A 1 808 ? -2.627 15.965 42.941 1.00 50.89 ? 870 GLN A C 1 ATOM 6470 O O . GLN A 1 808 ? -1.870 15.002 42.860 1.00 49.70 ? 870 GLN A O 1 ATOM 6471 C CB . GLN A 1 808 ? -3.135 17.265 45.073 1.00 50.51 ? 870 GLN A CB 1 ATOM 6472 C CG . GLN A 1 808 ? -3.513 15.948 45.752 1.00 51.84 ? 870 GLN A CG 1 ATOM 6473 C CD . GLN A 1 808 ? -2.353 15.275 46.466 1.00 50.47 ? 870 GLN A CD 1 ATOM 6474 O OE1 . GLN A 1 808 ? -1.758 15.834 47.390 1.00 50.77 ? 870 GLN A OE1 1 ATOM 6475 N NE2 . GLN A 1 808 ? -2.041 14.064 46.055 1.00 51.00 ? 870 GLN A NE2 1 ATOM 6476 N N . PRO A 1 809 ? -3.810 16.015 42.283 1.00 54.32 ? 871 PRO A N 1 ATOM 6477 C CA . PRO A 1 809 ? -4.189 14.901 41.402 1.00 52.18 ? 871 PRO A CA 1 ATOM 6478 C C . PRO A 1 809 ? -3.344 14.791 40.133 1.00 53.98 ? 871 PRO A C 1 ATOM 6479 O O . PRO A 1 809 ? -3.172 13.696 39.612 1.00 54.69 ? 871 PRO A O 1 ATOM 6480 C CB . PRO A 1 809 ? -5.648 15.211 41.051 1.00 50.55 ? 871 PRO A CB 1 ATOM 6481 C CG . PRO A 1 809 ? -5.781 16.674 41.255 1.00 53.55 ? 871 PRO A CG 1 ATOM 6482 C CD . PRO A 1 809 ? -4.923 16.967 42.444 1.00 53.87 ? 871 PRO A CD 1 ATOM 6483 N N . LEU A 1 810 ? -2.825 15.915 39.646 1.00 48.01 ? 872 LEU A N 1 ATOM 6484 C CA . LEU A 1 810 ? -1.954 15.918 38.464 1.00 52.17 ? 872 LEU A CA 1 ATOM 6485 C C . LEU A 1 810 ? -0.630 15.205 38.752 1.00 49.15 ? 872 LEU A C 1 ATOM 6486 O O . LEU A 1 810 ? -0.179 14.370 37.979 1.00 51.46 ? 872 LEU A O 1 ATOM 6487 C CB . LEU A 1 810 ? -1.688 17.346 37.990 1.00 48.70 ? 872 LEU A CB 1 ATOM 6488 C CG . LEU A 1 810 ? -2.909 18.263 37.891 1.00 47.43 ? 872 LEU A CG 1 ATOM 6489 C CD1 . LEU A 1 810 ? -2.497 19.679 37.552 1.00 49.64 ? 872 LEU A CD1 1 ATOM 6490 C CD2 . LEU A 1 810 ? -3.882 17.734 36.855 1.00 49.18 ? 872 LEU A CD2 1 ATOM 6491 N N . ALA A 1 811 ? -0.029 15.528 39.889 1.00 47.72 ? 873 ALA A N 1 ATOM 6492 C CA . ALA A 1 811 ? 1.219 14.905 40.305 1.00 48.95 ? 873 ALA A CA 1 ATOM 6493 C C . ALA A 1 811 ? 1.041 13.418 40.600 1.00 55.96 ? 873 ALA A C 1 ATOM 6494 O O . ALA A 1 811 ? 1.865 12.588 40.183 1.00 54.04 ? 873 ALA A O 1 ATOM 6495 C CB . ALA A 1 811 ? 1.762 15.616 41.519 1.00 47.58 ? 873 ALA A CB 1 ATOM 6496 N N . TRP A 1 812 ? -0.035 13.093 41.314 1.00 52.76 ? 874 TRP A N 1 ATOM 6497 C CA . TRP A 1 812 ? -0.330 11.724 41.679 1.00 54.70 ? 874 TRP A CA 1 ATOM 6498 C C . TRP A 1 812 ? -0.564 10.892 40.427 1.00 54.08 ? 874 TRP A C 1 ATOM 6499 O O . TRP A 1 812 ? -0.031 9.794 40.307 1.00 54.69 ? 874 TRP A O 1 ATOM 6500 C CB . TRP A 1 812 ? -1.507 11.658 42.655 1.00 53.00 ? 874 TRP A CB 1 ATOM 6501 C CG . TRP A 1 812 ? -2.010 10.259 42.980 1.00 57.20 ? 874 TRP A CG 1 ATOM 6502 C CD1 . TRP A 1 812 ? -3.296 9.815 42.880 1.00 59.44 ? 874 TRP A CD1 1 ATOM 6503 C CD2 . TRP A 1 812 ? -1.240 9.134 43.452 1.00 56.45 ? 874 TRP A CD2 1 ATOM 6504 N NE1 . TRP A 1 812 ? -3.376 8.495 43.253 1.00 59.88 ? 874 TRP A NE1 1 ATOM 6505 C CE2 . TRP A 1 812 ? -2.134 8.057 43.611 1.00 56.22 ? 874 TRP A CE2 1 ATOM 6506 C CE3 . TRP A 1 812 ? 0.105 8.937 43.754 1.00 54.33 ? 874 TRP A CE3 1 ATOM 6507 C CZ2 . TRP A 1 812 ? -1.722 6.805 44.050 1.00 61.36 ? 874 TRP A CZ2 1 ATOM 6508 C CZ3 . TRP A 1 812 ? 0.512 7.692 44.179 1.00 56.29 ? 874 TRP A CZ3 1 ATOM 6509 C CH2 . TRP A 1 812 ? -0.402 6.643 44.334 1.00 56.12 ? 874 TRP A CH2 1 ATOM 6510 N N . ASP A 1 813 ? -1.324 11.420 39.482 1.00 53.68 ? 875 ASP A N 1 ATOM 6511 C CA . ASP A 1 813 ? -1.515 10.731 38.209 1.00 59.34 ? 875 ASP A CA 1 ATOM 6512 C C . ASP A 1 813 ? -0.204 10.588 37.462 1.00 56.15 ? 875 ASP A C 1 ATOM 6513 O O . ASP A 1 813 ? 0.057 9.556 36.863 1.00 52.24 ? 875 ASP A O 1 ATOM 6514 C CB . ASP A 1 813 ? -2.464 11.506 37.315 1.00 55.78 ? 875 ASP A CB 1 ATOM 6515 C CG . ASP A 1 813 ? -3.888 11.471 37.802 1.00 57.91 ? 875 ASP A CG 1 ATOM 6516 O OD1 . ASP A 1 813 ? -4.211 10.703 38.741 1.00 60.98 ? 875 ASP A OD1 1 ATOM 6517 O OD2 . ASP A 1 813 ? -4.678 12.230 37.228 1.00 54.31 ? 875 ASP A OD2 1 ATOM 6518 N N . PHE A 1 814 ? 0.600 11.643 37.481 1.00 54.30 ? 876 PHE A N 1 ATOM 6519 C CA . PHE A 1 814 ? 1.866 11.644 36.771 1.00 53.77 ? 876 PHE A CA 1 ATOM 6520 C C . PHE A 1 814 ? 2.788 10.578 37.345 1.00 58.39 ? 876 PHE A C 1 ATOM 6521 O O . PHE A 1 814 ? 3.392 9.799 36.609 1.00 60.31 ? 876 PHE A O 1 ATOM 6522 C CB . PHE A 1 814 ? 2.488 13.021 36.873 1.00 52.34 ? 876 PHE A CB 1 ATOM 6523 C CG . PHE A 1 814 ? 3.753 13.189 36.098 1.00 54.67 ? 876 PHE A CG 1 ATOM 6524 C CD1 . PHE A 1 814 ? 3.714 13.478 34.744 1.00 58.92 ? 876 PHE A CD1 1 ATOM 6525 C CD2 . PHE A 1 814 ? 4.992 13.105 36.730 1.00 58.92 ? 876 PHE A CD2 1 ATOM 6526 C CE1 . PHE A 1 814 ? 4.889 13.660 34.023 1.00 60.84 ? 876 PHE A CE1 1 ATOM 6527 C CE2 . PHE A 1 814 ? 6.168 13.278 36.015 1.00 58.61 ? 876 PHE A CE2 1 ATOM 6528 C CZ . PHE A 1 814 ? 6.114 13.559 34.659 1.00 62.32 ? 876 PHE A CZ 1 ATOM 6529 N N . VAL A 1 815 ? 2.854 10.516 38.666 1.00 57.40 ? 877 VAL A N 1 ATOM 6530 C CA . VAL A 1 815 ? 3.726 9.555 39.332 1.00 60.31 ? 877 VAL A CA 1 ATOM 6531 C C . VAL A 1 815 ? 3.314 8.112 39.056 1.00 64.14 ? 877 VAL A C 1 ATOM 6532 O O . VAL A 1 815 ? 4.146 7.291 38.702 1.00 67.17 ? 877 VAL A O 1 ATOM 6533 C CB . VAL A 1 815 ? 3.813 9.804 40.849 1.00 60.90 ? 877 VAL A CB 1 ATOM 6534 C CG1 . VAL A 1 815 ? 4.517 8.656 41.557 1.00 57.13 ? 877 VAL A CG1 1 ATOM 6535 C CG2 . VAL A 1 815 ? 4.549 11.100 41.119 1.00 60.56 ? 877 VAL A CG2 1 ATOM 6536 N N . GLN A 1 816 ? 2.037 7.803 39.217 1.00 61.70 ? 878 GLN A N 1 ATOM 6537 C CA . GLN A 1 816 ? 1.545 6.469 38.908 1.00 67.89 ? 878 GLN A CA 1 ATOM 6538 C C . GLN A 1 816 ? 1.845 6.147 37.450 1.00 65.74 ? 878 GLN A C 1 ATOM 6539 O O . GLN A 1 816 ? 2.326 5.062 37.121 1.00 72.14 ? 878 GLN A O 1 ATOM 6540 C CB . GLN A 1 816 ? 0.035 6.379 39.122 1.00 67.30 ? 878 GLN A CB 1 ATOM 6541 C CG . GLN A 1 816 ? -0.453 6.660 40.529 1.00 66.40 ? 878 GLN A CG 1 ATOM 6542 C CD . GLN A 1 816 ? -1.961 6.814 40.568 1.00 60.83 ? 878 GLN A CD 1 ATOM 6543 O OE1 . GLN A 1 816 ? -2.486 7.928 40.542 1.00 60.88 ? 878 GLN A OE1 1 ATOM 6544 N NE2 . GLN A 1 816 ? -2.666 5.692 40.602 1.00 61.56 ? 878 GLN A NE2 1 ATOM 6545 N N . SER A 1 817 ? 1.551 7.106 36.581 1.00 69.32 ? 879 SER A N 1 ATOM 6546 C CA . SER A 1 817 ? 1.665 6.906 35.152 1.00 81.34 ? 879 SER A CA 1 ATOM 6547 C C . SER A 1 817 ? 3.110 6.684 34.718 1.00 82.75 ? 879 SER A C 1 ATOM 6548 O O . SER A 1 817 ? 3.391 5.850 33.857 1.00 79.33 ? 879 SER A O 1 ATOM 6549 C CB . SER A 1 817 ? 1.079 8.113 34.432 1.00 76.47 ? 879 SER A CB 1 ATOM 6550 O OG . SER A 1 817 ? 1.068 7.906 33.044 1.00 83.48 ? 879 SER A OG 1 ATOM 6551 N N . ASN A 1 818 ? 4.023 7.422 35.326 1.00 73.02 ? 880 ASN A N 1 ATOM 6552 C CA . ASN A 1 818 ? 5.412 7.380 34.932 1.00 82.78 ? 880 ASN A CA 1 ATOM 6553 C C . ASN A 1 818 ? 6.277 6.533 35.831 1.00 88.68 ? 880 ASN A C 1 ATOM 6554 O O . ASN A 1 818 ? 7.493 6.537 35.682 1.00 86.41 ? 880 ASN A O 1 ATOM 6555 C CB . ASN A 1 818 ? 5.962 8.794 34.861 1.00 77.48 ? 880 ASN A CB 1 ATOM 6556 C CG . ASN A 1 818 ? 5.462 9.528 33.647 1.00 69.81 ? 880 ASN A CG 1 ATOM 6557 O OD1 . ASN A 1 818 ? 5.887 9.255 32.528 1.00 80.77 ? 880 ASN A OD1 1 ATOM 6558 N ND2 . ASN A 1 818 ? 4.543 10.438 33.849 1.00 69.16 ? 880 ASN A ND2 1 ATOM 6559 N N . TRP A 1 819 ? 5.651 5.784 36.738 1.00 86.32 ? 881 TRP A N 1 ATOM 6560 C CA . TRP A 1 819 ? 6.371 4.981 37.729 1.00 91.11 ? 881 TRP A CA 1 ATOM 6561 C C . TRP A 1 819 ? 7.510 4.163 37.105 1.00 93.88 ? 881 TRP A C 1 ATOM 6562 O O . TRP A 1 819 ? 8.554 3.916 37.724 1.00 100.41 ? 881 TRP A O 1 ATOM 6563 C CB . TRP A 1 819 ? 5.406 4.053 38.476 1.00 82.31 ? 881 TRP A CB 1 ATOM 6564 C CG . TRP A 1 819 ? 6.107 3.350 39.549 1.00 84.25 ? 881 TRP A CG 1 ATOM 6565 C CD1 . TRP A 1 819 ? 6.425 2.024 39.609 1.00 92.34 ? 881 TRP A CD1 1 ATOM 6566 C CD2 . TRP A 1 819 ? 6.657 3.952 40.710 1.00 93.79 ? 881 TRP A CD2 1 ATOM 6567 N NE1 . TRP A 1 819 ? 7.122 1.761 40.760 1.00 94.64 ? 881 TRP A NE1 1 ATOM 6568 C CE2 . TRP A 1 819 ? 7.281 2.931 41.456 1.00 100.35 ? 881 TRP A CE2 1 ATOM 6569 C CE3 . TRP A 1 819 ? 6.671 5.266 41.209 1.00 97.27 ? 881 TRP A CE3 1 ATOM 6570 C CZ2 . TRP A 1 819 ? 7.920 3.181 42.676 1.00 106.04 ? 881 TRP A CZ2 1 ATOM 6571 C CZ3 . TRP A 1 819 ? 7.304 5.514 42.426 1.00 101.49 ? 881 TRP A CZ3 1 ATOM 6572 C CH2 . TRP A 1 819 ? 7.918 4.474 43.145 1.00 102.73 ? 881 TRP A CH2 1 ATOM 6573 N N . LYS A 1 820 ? 7.279 3.764 35.859 1.00 121.59 ? 882 LYS A N 1 ATOM 6574 C CA . LYS A 1 820 ? 8.256 3.074 35.028 1.00 135.45 ? 882 LYS A CA 1 ATOM 6575 C C . LYS A 1 820 ? 9.282 4.079 34.463 1.00 134.05 ? 882 LYS A C 1 ATOM 6576 O O . LYS A 1 820 ? 9.712 3.992 33.313 1.00 132.08 ? 882 LYS A O 1 ATOM 6577 C CB . LYS A 1 820 ? 7.524 2.296 33.920 1.00 153.07 ? 882 LYS A CB 1 ATOM 6578 C CG . LYS A 1 820 ? 6.839 0.987 34.351 1.00 157.76 ? 882 LYS A CG 1 ATOM 6579 C CD . LYS A 1 820 ? 5.851 1.069 35.533 1.00 165.68 ? 882 LYS A CD 1 ATOM 6580 C CE . LYS A 1 820 ? 4.606 1.934 35.297 1.00 146.77 ? 882 LYS A CE 1 ATOM 6581 N NZ . LYS A 1 820 ? 3.856 1.599 34.061 1.00 158.08 ? 882 LYS A NZ 1 ATOM 6582 N N . LYS A 1 821 ? 9.613 5.071 35.286 1.00 129.17 ? 883 LYS A N 1 ATOM 6583 C CA . LYS A 1 821 ? 10.868 5.782 35.189 1.00 129.30 ? 883 LYS A CA 1 ATOM 6584 C C . LYS A 1 821 ? 11.720 5.294 36.351 1.00 125.98 ? 883 LYS A C 1 ATOM 6585 O O . LYS A 1 821 ? 12.687 5.947 36.734 1.00 132.19 ? 883 LYS A O 1 ATOM 6586 C CB . LYS A 1 821 ? 10.658 7.299 35.234 1.00 120.66 ? 883 LYS A CB 1 ATOM 6587 C CG . LYS A 1 821 ? 10.686 7.969 36.608 1.00 118.84 ? 883 LYS A CG 1 ATOM 6588 C CD . LYS A 1 821 ? 9.677 7.407 37.594 1.00 116.00 ? 883 LYS A CD 1 ATOM 6589 C CE . LYS A 1 821 ? 9.569 8.300 38.813 1.00 110.22 ? 883 LYS A CE 1 ATOM 6590 N NZ . LYS A 1 821 ? 8.959 9.620 38.476 1.00 124.06 ? 883 LYS A NZ 1 ATOM 6591 N N . LEU A 1 822 ? 11.326 4.154 36.924 1.00 114.08 ? 884 LEU A N 1 ATOM 6592 C CA . LEU A 1 822 ? 12.158 3.428 37.873 1.00 119.17 ? 884 LEU A CA 1 ATOM 6593 C C . LEU A 1 822 ? 13.105 2.485 37.135 1.00 136.47 ? 884 LEU A C 1 ATOM 6594 O O . LEU A 1 822 ? 14.249 2.301 37.565 1.00 144.45 ? 884 LEU A O 1 ATOM 6595 C CB . LEU A 1 822 ? 11.312 2.628 38.864 1.00 118.81 ? 884 LEU A CB 1 ATOM 6596 C CG . LEU A 1 822 ? 12.088 1.891 39.970 1.00 113.95 ? 884 LEU A CG 1 ATOM 6597 C CD1 . LEU A 1 822 ? 11.360 2.025 41.289 1.00 104.98 ? 884 LEU A CD1 1 ATOM 6598 C CD2 . LEU A 1 822 ? 12.343 0.421 39.653 1.00 110.73 ? 884 LEU A CD2 1 ATOM 6599 N N . PHE A 1 823 ? 12.627 1.883 36.040 1.00 156.08 ? 885 PHE A N 1 ATOM 6600 C CA . PHE A 1 823 ? 13.496 1.056 35.177 1.00 179.18 ? 885 PHE A CA 1 ATOM 6601 C C . PHE A 1 823 ? 14.427 1.926 34.302 1.00 181.56 ? 885 PHE A C 1 ATOM 6602 O O . PHE A 1 823 ? 15.092 1.435 33.384 1.00 186.01 ? 885 PHE A O 1 ATOM 6603 C CB . PHE A 1 823 ? 12.717 -0.099 34.452 1.00 176.96 ? 885 PHE A CB 1 ATOM 6604 C CG . PHE A 1 823 ? 12.162 0.214 33.060 1.00 160.84 ? 885 PHE A CG 1 ATOM 6605 C CD1 . PHE A 1 823 ? 11.413 1.362 32.794 1.00 174.26 ? 885 PHE A CD1 1 ATOM 6606 C CD2 . PHE A 1 823 ? 12.317 -0.722 32.027 1.00 146.94 ? 885 PHE A CD2 1 ATOM 6607 C CE1 . PHE A 1 823 ? 10.898 1.596 31.517 1.00 156.62 ? 885 PHE A CE1 1 ATOM 6608 C CE2 . PHE A 1 823 ? 11.801 -0.492 30.757 1.00 143.96 ? 885 PHE A CE2 1 ATOM 6609 C CZ . PHE A 1 823 ? 11.088 0.668 30.502 1.00 131.31 ? 885 PHE A CZ 1 ATOM 6610 N N . GLN A 1 824 ? 14.490 3.217 34.647 1.00 181.31 ? 886 GLN A N 1 ATOM 6611 C CA . GLN A 1 824 ? 15.509 4.137 34.143 1.00 178.06 ? 886 GLN A CA 1 ATOM 6612 C C . GLN A 1 824 ? 16.057 5.107 35.202 1.00 164.29 ? 886 GLN A C 1 ATOM 6613 O O . GLN A 1 824 ? 16.666 6.116 34.845 1.00 186.91 ? 886 GLN A O 1 ATOM 6614 C CB . GLN A 1 824 ? 14.960 4.934 32.961 1.00 148.27 ? 886 GLN A CB 1 ATOM 6615 C CG . GLN A 1 824 ? 15.100 4.234 31.624 1.00 158.20 ? 886 GLN A CG 1 ATOM 6616 C CD . GLN A 1 824 ? 15.185 5.234 30.491 1.00 147.33 ? 886 GLN A CD 1 ATOM 6617 O OE1 . GLN A 1 824 ? 16.142 5.240 29.720 1.00 164.87 ? 886 GLN A OE1 1 ATOM 6618 N NE2 . GLN A 1 824 ? 14.196 6.110 30.406 1.00 150.88 ? 886 GLN A NE2 1 ATOM 6619 N N . ASP A 1 825 ? 15.855 4.809 36.490 1.00 154.85 ? 887 ASP A N 1 ATOM 6620 C CA . ASP A 1 825 ? 16.344 5.685 37.566 1.00 159.72 ? 887 ASP A CA 1 ATOM 6621 C C . ASP A 1 825 ? 16.637 4.998 38.909 1.00 141.29 ? 887 ASP A C 1 ATOM 6622 O O . ASP A 1 825 ? 16.211 5.494 39.955 1.00 152.66 ? 887 ASP A O 1 ATOM 6623 C CB . ASP A 1 825 ? 15.388 6.869 37.799 1.00 143.16 ? 887 ASP A CB 1 ATOM 6624 C CG . ASP A 1 825 ? 15.502 7.945 36.736 1.00 148.49 ? 887 ASP A CG 1 ATOM 6625 O OD1 . ASP A 1 825 ? 16.633 8.231 36.300 1.00 143.79 ? 887 ASP A OD1 1 ATOM 6626 O OD2 . ASP A 1 825 ? 14.455 8.513 36.346 1.00 153.88 ? 887 ASP A OD2 1 ATOM 6627 N N . TYR A 1 826 ? 17.346 3.874 38.888 1.00 147.83 ? 888 TYR A N 1 ATOM 6628 C CA . TYR A 1 826 ? 17.964 3.327 40.115 1.00 142.83 ? 888 TYR A CA 1 ATOM 6629 C C . TYR A 1 826 ? 19.487 3.080 39.958 1.00 154.72 ? 888 TYR A C 1 ATOM 6630 O O . TYR A 1 826 ? 20.217 3.065 40.953 1.00 143.79 ? 888 TYR A O 1 ATOM 6631 C CB . TYR A 1 826 ? 17.229 2.058 40.600 1.00 143.40 ? 888 TYR A CB 1 ATOM 6632 C CG . TYR A 1 826 ? 17.692 1.532 41.956 1.00 158.05 ? 888 TYR A CG 1 ATOM 6633 C CD1 . TYR A 1 826 ? 18.864 0.763 42.071 1.00 156.50 ? 888 TYR A CD1 1 ATOM 6634 C CD2 . TYR A 1 826 ? 16.956 1.782 43.121 1.00 161.75 ? 888 TYR A CD2 1 ATOM 6635 C CE1 . TYR A 1 826 ? 19.297 0.281 43.299 1.00 150.76 ? 888 TYR A CE1 1 ATOM 6636 C CE2 . TYR A 1 826 ? 17.383 1.299 44.356 1.00 156.22 ? 888 TYR A CE2 1 ATOM 6637 C CZ . TYR A 1 826 ? 18.550 0.550 44.436 1.00 145.76 ? 888 TYR A CZ 1 ATOM 6638 O OH . TYR A 1 826 ? 18.983 0.063 45.649 1.00 141.34 ? 888 TYR A OH 1 ATOM 6639 N N . GLY A 1 827 ? 19.883 2.694 38.746 1.00 174.34 ? 889 GLY A N 1 ATOM 6640 C CA . GLY A 1 827 ? 21.267 2.382 38.432 1.00 169.44 ? 889 GLY A CA 1 ATOM 6641 C C . GLY A 1 827 ? 21.934 3.509 37.678 1.00 164.97 ? 889 GLY A C 1 ATOM 6642 O O . GLY A 1 827 ? 23.127 3.464 37.379 1.00 177.34 ? 889 GLY A O 1 ATOM 6643 N N . GLY A 1 828 ? 21.145 4.533 37.379 1.00 188.39 ? 890 GLY A N 1 ATOM 6644 C CA . GLY A 1 828 ? 21.642 5.735 36.744 1.00 178.74 ? 890 GLY A CA 1 ATOM 6645 C C . GLY A 1 828 ? 21.105 6.860 37.591 1.00 171.78 ? 890 GLY A C 1 ATOM 6646 O O . GLY A 1 828 ? 20.215 7.609 37.187 1.00 156.82 ? 890 GLY A O 1 ATOM 6647 N N . GLY A 1 829 ? 21.659 6.961 38.792 1.00 167.20 ? 891 GLY A N 1 ATOM 6648 C CA . GLY A 1 829 ? 21.171 7.884 39.790 1.00 169.97 ? 891 GLY A CA 1 ATOM 6649 C C . GLY A 1 829 ? 20.166 7.235 40.723 1.00 191.30 ? 891 GLY A C 1 ATOM 6650 O O . GLY A 1 829 ? 19.567 6.203 40.418 1.00 203.26 ? 891 GLY A O 1 ATOM 6651 N N . SER A 1 830 ? 19.995 7.870 41.873 1.00 177.04 ? 892 SER A N 1 ATOM 6652 C CA . SER A 1 830 ? 19.050 7.472 42.924 1.00 154.72 ? 892 SER A CA 1 ATOM 6653 C C . SER A 1 830 ? 17.601 7.976 42.771 1.00 153.77 ? 892 SER A C 1 ATOM 6654 O O . SER A 1 830 ? 16.643 7.220 42.960 1.00 160.19 ? 892 SER A O 1 ATOM 6655 C CB . SER A 1 830 ? 19.571 7.960 44.271 1.00 148.56 ? 892 SER A CB 1 ATOM 6656 O OG . SER A 1 830 ? 19.432 9.357 44.397 1.00 152.90 ? 892 SER A OG 1 ATOM 6657 N N . PHE A 1 831 ? 17.449 9.248 42.416 1.00 139.66 ? 893 PHE A N 1 ATOM 6658 C CA . PHE A 1 831 ? 16.143 9.890 42.318 1.00 121.43 ? 893 PHE A CA 1 ATOM 6659 C C . PHE A 1 831 ? 15.539 10.194 43.692 1.00 123.27 ? 893 PHE A C 1 ATOM 6660 O O . PHE A 1 831 ? 15.271 11.347 44.011 1.00 127.98 ? 893 PHE A O 1 ATOM 6661 C CB . PHE A 1 831 ? 15.199 9.002 41.538 1.00 119.28 ? 893 PHE A CB 1 ATOM 6662 C CG . PHE A 1 831 ? 13.807 9.525 41.432 1.00 119.48 ? 893 PHE A CG 1 ATOM 6663 C CD1 . PHE A 1 831 ? 13.490 10.500 40.506 1.00 124.65 ? 893 PHE A CD1 1 ATOM 6664 C CD2 . PHE A 1 831 ? 12.824 9.069 42.297 1.00 139.00 ? 893 PHE A CD2 1 ATOM 6665 C CE1 . PHE A 1 831 ? 12.223 11.008 40.428 1.00 118.25 ? 893 PHE A CE1 1 ATOM 6666 C CE2 . PHE A 1 831 ? 11.549 9.568 42.230 1.00 144.57 ? 893 PHE A CE2 1 ATOM 6667 C CZ . PHE A 1 831 ? 11.251 10.547 41.290 1.00 127.61 ? 893 PHE A CZ 1 ATOM 6668 N N . SER A 1 832 ? 15.358 9.165 44.508 1.00 120.40 ? 894 SER A N 1 ATOM 6669 C CA . SER A 1 832 ? 14.675 9.300 45.795 1.00 108.84 ? 894 SER A CA 1 ATOM 6670 C C . SER A 1 832 ? 13.183 9.071 45.715 1.00 104.85 ? 894 SER A C 1 ATOM 6671 O O . SER A 1 832 ? 12.390 9.928 46.061 1.00 91.30 ? 894 SER A O 1 ATOM 6672 C CB . SER A 1 832 ? 14.963 10.611 46.497 1.00 100.42 ? 894 SER A CB 1 ATOM 6673 O OG . SER A 1 832 ? 14.548 10.478 47.835 1.00 91.22 ? 894 SER A OG 1 ATOM 6674 N N . PHE A 1 833 ? 12.802 7.880 45.293 1.00 96.20 ? 895 PHE A N 1 ATOM 6675 C CA . PHE A 1 833 ? 11.420 7.538 45.143 1.00 86.19 ? 895 PHE A CA 1 ATOM 6676 C C . PHE A 1 833 ? 10.806 7.720 46.512 1.00 88.32 ? 895 PHE A C 1 ATOM 6677 O O . PHE A 1 833 ? 9.700 8.184 46.652 1.00 81.00 ? 895 PHE A O 1 ATOM 6678 C CB . PHE A 1 833 ? 11.269 6.106 44.675 1.00 95.66 ? 895 PHE A CB 1 ATOM 6679 C CG . PHE A 1 833 ? 12.016 5.784 43.402 1.00 101.46 ? 895 PHE A CG 1 ATOM 6680 C CD1 . PHE A 1 833 ? 13.351 5.404 43.429 1.00 117.09 ? 895 PHE A CD1 1 ATOM 6681 C CD2 . PHE A 1 833 ? 11.375 5.797 42.180 1.00 102.20 ? 895 PHE A CD2 1 ATOM 6682 C CE1 . PHE A 1 833 ? 14.029 5.080 42.265 1.00 101.52 ? 895 PHE A CE1 1 ATOM 6683 C CE2 . PHE A 1 833 ? 12.052 5.489 41.008 1.00 108.96 ? 895 PHE A CE2 1 ATOM 6684 C CZ . PHE A 1 833 ? 13.378 5.119 41.054 1.00 102.31 ? 895 PHE A CZ 1 ATOM 6685 N N . SER A 1 834 ? 11.555 7.392 47.529 1.00 78.84 ? 896 SER A N 1 ATOM 6686 C CA . SER A 1 834 ? 11.046 7.553 48.910 1.00 80.90 ? 896 SER A CA 1 ATOM 6687 C C . SER A 1 834 ? 10.402 8.904 49.214 1.00 80.56 ? 896 SER A C 1 ATOM 6688 O O . SER A 1 834 ? 9.281 8.960 49.727 1.00 82.12 ? 896 SER A O 1 ATOM 6689 C CB . SER A 1 834 ? 12.149 7.281 49.949 1.00 89.62 ? 896 SER A CB 1 ATOM 6690 O OG . SER A 1 834 ? 12.128 5.935 50.377 1.00 93.82 ? 896 SER A OG 1 ATOM 6691 N N . ASN A 1 835 ? 11.116 9.986 48.897 1.00 76.74 ? 897 ASN A N 1 ATOM 6692 C CA . ASN A 1 835 ? 10.660 11.349 49.205 1.00 81.33 ? 897 ASN A CA 1 ATOM 6693 C C . ASN A 1 835 ? 9.507 11.760 48.327 1.00 63.16 ? 897 ASN A C 1 ATOM 6694 O O . ASN A 1 835 ? 8.590 12.445 48.767 1.00 71.64 ? 897 ASN A O 1 ATOM 6695 C CB . ASN A 1 835 ? 11.803 12.362 49.050 1.00 82.57 ? 897 ASN A CB 1 ATOM 6696 C CG . ASN A 1 835 ? 12.942 12.120 50.037 1.00 86.93 ? 897 ASN A CG 1 ATOM 6697 O OD1 . ASN A 1 835 ? 12.718 11.852 51.224 1.00 96.81 ? 897 ASN A OD1 1 ATOM 6698 N ND2 . ASN A 1 835 ? 14.179 12.220 49.549 1.00 95.19 ? 897 ASN A ND2 1 ATOM 6699 N N . LEU A 1 836 ? 9.580 11.339 47.070 1.00 64.57 ? 898 LEU A N 1 ATOM 6700 C CA . LEU A 1 836 ? 8.509 11.529 46.120 1.00 66.82 ? 898 LEU A CA 1 ATOM 6701 C C . LEU A 1 836 ? 7.204 10.897 46.587 1.00 63.74 ? 898 LEU A C 1 ATOM 6702 O O . LEU A 1 836 ? 6.160 11.536 46.570 1.00 63.77 ? 898 LEU A O 1 ATOM 6703 C CB . LEU A 1 836 ? 8.899 10.937 44.767 1.00 65.63 ? 898 LEU A CB 1 ATOM 6704 C CG . LEU A 1 836 ? 7.870 11.109 43.654 1.00 68.30 ? 898 LEU A CG 1 ATOM 6705 C CD1 . LEU A 1 836 ? 7.548 12.577 43.443 1.00 75.36 ? 898 LEU A CD1 1 ATOM 6706 C CD2 . LEU A 1 836 ? 8.377 10.500 42.364 1.00 71.92 ? 898 LEU A CD2 1 ATOM 6707 N N . ILE A 1 837 ? 7.263 9.633 46.968 1.00 62.82 ? 899 ILE A N 1 ATOM 6708 C CA . ILE A 1 837 ? 6.077 8.927 47.428 1.00 65.05 ? 899 ILE A CA 1 ATOM 6709 C C . ILE A 1 837 ? 5.472 9.661 48.623 1.00 56.82 ? 899 ILE A C 1 ATOM 6710 O O . ILE A 1 837 ? 4.279 9.985 48.632 1.00 60.12 ? 899 ILE A O 1 ATOM 6711 C CB . ILE A 1 837 ? 6.393 7.453 47.775 1.00 60.05 ? 899 ILE A CB 1 ATOM 6712 C CG1 . ILE A 1 837 ? 6.697 6.669 46.488 1.00 69.95 ? 899 ILE A CG1 1 ATOM 6713 C CG2 . ILE A 1 837 ? 5.236 6.817 48.539 1.00 61.40 ? 899 ILE A CG2 1 ATOM 6714 C CD1 . ILE A 1 837 ? 7.343 5.307 46.713 1.00 59.57 ? 899 ILE A CD1 1 ATOM 6715 N N . GLN A 1 838 ? 6.306 9.948 49.612 1.00 62.06 ? 900 GLN A N 1 ATOM 6716 C CA . GLN A 1 838 ? 5.855 10.638 50.803 1.00 63.92 ? 900 GLN A CA 1 ATOM 6717 C C . GLN A 1 838 ? 5.156 11.962 50.434 1.00 58.29 ? 900 GLN A C 1 ATOM 6718 O O . GLN A 1 838 ? 4.090 12.277 50.954 1.00 59.59 ? 900 GLN A O 1 ATOM 6719 C CB . GLN A 1 838 ? 7.044 10.840 51.756 1.00 61.15 ? 900 GLN A CB 1 ATOM 6720 C CG . GLN A 1 838 ? 6.686 11.346 53.143 1.00 69.41 ? 900 GLN A CG 1 ATOM 6721 C CD . GLN A 1 838 ? 6.344 12.832 53.150 1.00 86.02 ? 900 GLN A CD 1 ATOM 6722 O OE1 . GLN A 1 838 ? 6.789 13.581 52.277 1.00 100.76 ? 900 GLN A OE1 1 ATOM 6723 N NE2 . GLN A 1 838 ? 5.534 13.266 54.127 1.00 84.97 ? 900 GLN A NE2 1 ATOM 6724 N N . GLY A 1 839 ? 5.740 12.704 49.505 1.00 55.58 ? 901 GLY A N 1 ATOM 6725 C CA . GLY A 1 839 ? 5.244 14.040 49.170 1.00 59.39 ? 901 GLY A CA 1 ATOM 6726 C C . GLY A 1 839 ? 3.904 14.032 48.472 1.00 57.95 ? 901 GLY A C 1 ATOM 6727 O O . GLY A 1 839 ? 2.993 14.773 48.828 1.00 60.31 ? 901 GLY A O 1 ATOM 6728 N N . VAL A 1 840 ? 3.801 13.175 47.470 1.00 55.84 ? 902 VAL A N 1 ATOM 6729 C CA . VAL A 1 840 ? 2.597 13.041 46.680 1.00 53.94 ? 902 VAL A CA 1 ATOM 6730 C C . VAL A 1 840 ? 1.418 12.368 47.421 1.00 49.77 ? 902 VAL A C 1 ATOM 6731 O O . VAL A 1 840 ? 0.271 12.598 47.074 1.00 50.03 ? 902 VAL A O 1 ATOM 6732 C CB . VAL A 1 840 ? 2.920 12.318 45.359 1.00 56.23 ? 902 VAL A CB 1 ATOM 6733 C CG1 . VAL A 1 840 ? 3.225 10.849 45.605 1.00 59.62 ? 902 VAL A CG1 1 ATOM 6734 C CG2 . VAL A 1 840 ? 1.770 12.433 44.390 1.00 56.81 ? 902 VAL A CG2 1 ATOM 6735 N N . THR A 1 841 ? 1.711 11.564 48.442 1.00 53.08 ? 903 THR A N 1 ATOM 6736 C CA . THR A 1 841 ? 0.679 10.833 49.209 1.00 52.90 ? 903 THR A CA 1 ATOM 6737 C C . THR A 1 841 ? 0.362 11.473 50.551 1.00 52.03 ? 903 THR A C 1 ATOM 6738 O O . THR A 1 841 ? -0.535 11.030 51.267 1.00 54.49 ? 903 THR A O 1 ATOM 6739 C CB . THR A 1 841 ? 1.095 9.370 49.456 1.00 52.16 ? 903 THR A CB 1 ATOM 6740 O OG1 . THR A 1 841 ? 2.255 9.317 50.299 1.00 51.52 ? 903 THR A OG1 1 ATOM 6741 C CG2 . THR A 1 841 ? 1.390 8.658 48.123 1.00 55.93 ? 903 THR A CG2 1 ATOM 6742 N N . ARG A 1 842 ? 1.115 12.520 50.876 1.00 51.81 ? 904 ARG A N 1 ATOM 6743 C CA . ARG A 1 842 ? 1.041 13.229 52.152 1.00 56.06 ? 904 ARG A CA 1 ATOM 6744 C C . ARG A 1 842 ? -0.390 13.650 52.556 1.00 52.15 ? 904 ARG A C 1 ATOM 6745 O O . ARG A 1 842 ? -0.767 13.580 53.727 1.00 51.31 ? 904 ARG A O 1 ATOM 6746 C CB . ARG A 1 842 ? 1.920 14.474 52.016 1.00 54.44 ? 904 ARG A CB 1 ATOM 6747 C CG . ARG A 1 842 ? 2.662 14.873 53.250 1.00 58.73 ? 904 ARG A CG 1 ATOM 6748 C CD . ARG A 1 842 ? 3.771 15.864 52.900 1.00 63.36 ? 904 ARG A CD 1 ATOM 6749 N NE . ARG A 1 842 ? 3.282 17.020 52.141 1.00 63.58 ? 904 ARG A NE 1 ATOM 6750 C CZ . ARG A 1 842 ? 3.763 18.257 52.275 1.00 65.99 ? 904 ARG A CZ 1 ATOM 6751 N NH1 . ARG A 1 842 ? 4.755 18.503 53.138 1.00 66.92 ? 904 ARG A NH1 1 ATOM 6752 N NH2 . ARG A 1 842 ? 3.260 19.262 51.554 1.00 66.24 ? 904 ARG A NH2 1 ATOM 6753 N N . ARG A 1 843 ? -1.171 14.093 51.575 1.00 50.27 ? 905 ARG A N 1 ATOM 6754 C CA . ARG A 1 843 ? -2.537 14.541 51.802 1.00 47.47 ? 905 ARG A CA 1 ATOM 6755 C C . ARG A 1 843 ? -3.544 13.433 52.093 1.00 51.37 ? 905 ARG A C 1 ATOM 6756 O O . ARG A 1 843 ? -4.583 13.696 52.696 1.00 54.74 ? 905 ARG A O 1 ATOM 6757 C CB . ARG A 1 843 ? -3.046 15.281 50.574 1.00 51.50 ? 905 ARG A CB 1 ATOM 6758 C CG . ARG A 1 843 ? -2.704 16.746 50.548 1.00 48.98 ? 905 ARG A CG 1 ATOM 6759 C CD . ARG A 1 843 ? -3.689 17.484 49.678 1.00 51.20 ? 905 ARG A CD 1 ATOM 6760 N NE . ARG A 1 843 ? -3.421 18.916 49.711 1.00 49.54 ? 905 ARG A NE 1 ATOM 6761 C CZ . ARG A 1 843 ? -2.470 19.520 48.998 1.00 47.88 ? 905 ARG A CZ 1 ATOM 6762 N NH1 . ARG A 1 843 ? -1.693 18.822 48.181 1.00 45.10 ? 905 ARG A NH1 1 ATOM 6763 N NH2 . ARG A 1 843 ? -2.297 20.832 49.105 1.00 47.16 ? 905 ARG A NH2 1 ATOM 6764 N N . PHE A 1 844 ? -3.266 12.209 51.654 1.00 52.50 ? 906 PHE A N 1 ATOM 6765 C CA . PHE A 1 844 ? -4.282 11.143 51.650 1.00 54.40 ? 906 PHE A CA 1 ATOM 6766 C C . PHE A 1 844 ? -4.914 10.929 53.029 1.00 54.42 ? 906 PHE A C 1 ATOM 6767 O O . PHE A 1 844 ? -4.216 10.696 54.025 1.00 53.07 ? 906 PHE A O 1 ATOM 6768 C CB . PHE A 1 844 ? -3.714 9.817 51.127 1.00 53.59 ? 906 PHE A CB 1 ATOM 6769 C CG . PHE A 1 844 ? -3.331 9.820 49.666 1.00 48.41 ? 906 PHE A CG 1 ATOM 6770 C CD1 . PHE A 1 844 ? -3.586 10.899 48.832 1.00 58.74 ? 906 PHE A CD1 1 ATOM 6771 C CD2 . PHE A 1 844 ? -2.741 8.696 49.117 1.00 53.70 ? 906 PHE A CD2 1 ATOM 6772 C CE1 . PHE A 1 844 ? -3.226 10.864 47.487 1.00 57.67 ? 906 PHE A CE1 1 ATOM 6773 C CE2 . PHE A 1 844 ? -2.390 8.652 47.779 1.00 52.86 ? 906 PHE A CE2 1 ATOM 6774 C CZ . PHE A 1 844 ? -2.629 9.734 46.959 1.00 51.34 ? 906 PHE A CZ 1 ATOM 6775 N N . SER A 1 845 ? -6.238 11.020 53.088 1.00 54.43 ? 907 SER A N 1 ATOM 6776 C CA . SER A 1 845 ? -6.939 10.899 54.367 1.00 53.74 ? 907 SER A CA 1 ATOM 6777 C C . SER A 1 845 ? -8.320 10.296 54.262 1.00 51.24 ? 907 SER A C 1 ATOM 6778 O O . SER A 1 845 ? -9.115 10.443 55.170 1.00 53.74 ? 907 SER A O 1 ATOM 6779 C CB . SER A 1 845 ? -7.047 12.277 55.024 1.00 55.14 ? 907 SER A CB 1 ATOM 6780 O OG . SER A 1 845 ? -7.711 13.182 54.153 1.00 55.16 ? 907 SER A OG 1 ATOM 6781 N N . SER A 1 846 ? -8.610 9.613 53.164 1.00 54.50 ? 908 SER A N 1 ATOM 6782 C CA . SER A 1 846 ? -9.903 8.965 52.991 1.00 58.38 ? 908 SER A CA 1 ATOM 6783 C C . SER A 1 846 ? -9.720 7.506 52.596 1.00 60.99 ? 908 SER A C 1 ATOM 6784 O O . SER A 1 846 ? -8.692 7.140 51.997 1.00 58.75 ? 908 SER A O 1 ATOM 6785 C CB . SER A 1 846 ? -10.748 9.700 51.947 1.00 59.96 ? 908 SER A CB 1 ATOM 6786 O OG . SER A 1 846 ? -10.127 9.662 50.673 1.00 63.10 ? 908 SER A OG 1 ATOM 6787 N N . GLU A 1 847 ? -10.717 6.684 52.937 1.00 62.66 ? 909 GLU A N 1 ATOM 6788 C CA . GLU A 1 847 ? -10.744 5.275 52.533 1.00 66.18 ? 909 GLU A CA 1 ATOM 6789 C C . GLU A 1 847 ? -10.595 5.158 51.007 1.00 70.88 ? 909 GLU A C 1 ATOM 6790 O O . GLU A 1 847 ? -9.934 4.242 50.498 1.00 67.75 ? 909 GLU A O 1 ATOM 6791 C CB . GLU A 1 847 ? -12.046 4.585 53.007 1.00 67.65 ? 909 GLU A CB 1 ATOM 6792 C CG . GLU A 1 847 ? -12.214 4.440 54.523 1.00 71.94 ? 909 GLU A CG 1 ATOM 6793 C CD . GLU A 1 847 ? -11.250 3.442 55.169 1.00 71.70 ? 909 GLU A CD 1 ATOM 6794 O OE1 . GLU A 1 847 ? -10.574 2.667 54.455 1.00 69.63 ? 909 GLU A OE1 1 ATOM 6795 O OE2 . GLU A 1 847 ? -11.170 3.425 56.419 1.00 77.81 ? 909 GLU A OE2 1 ATOM 6796 N N . PHE A 1 848 ? -11.203 6.101 50.289 1.00 66.68 ? 910 PHE A N 1 ATOM 6797 C CA . PHE A 1 848 ? -11.098 6.157 48.838 1.00 66.17 ? 910 PHE A CA 1 ATOM 6798 C C . PHE A 1 848 ? -9.654 6.303 48.361 1.00 59.89 ? 910 PHE A C 1 ATOM 6799 O O . PHE A 1 848 ? -9.216 5.575 47.484 1.00 56.09 ? 910 PHE A O 1 ATOM 6800 C CB . PHE A 1 848 ? -11.963 7.284 48.284 1.00 69.76 ? 910 PHE A CB 1 ATOM 6801 C CG . PHE A 1 848 ? -11.950 7.362 46.789 1.00 65.96 ? 910 PHE A CG 1 ATOM 6802 C CD1 . PHE A 1 848 ? -12.695 6.470 46.023 1.00 79.28 ? 910 PHE A CD1 1 ATOM 6803 C CD2 . PHE A 1 848 ? -11.174 8.322 46.141 1.00 70.84 ? 910 PHE A CD2 1 ATOM 6804 C CE1 . PHE A 1 848 ? -12.672 6.535 44.634 1.00 74.39 ? 910 PHE A CE1 1 ATOM 6805 C CE2 . PHE A 1 848 ? -11.156 8.400 44.755 1.00 69.14 ? 910 PHE A CE2 1 ATOM 6806 C CZ . PHE A 1 848 ? -11.898 7.505 44.004 1.00 79.15 ? 910 PHE A CZ 1 ATOM 6807 N N . GLU A 1 849 ? -8.916 7.235 48.947 1.00 55.23 ? 911 GLU A N 1 ATOM 6808 C CA . GLU A 1 849 ? -7.529 7.435 48.573 1.00 58.94 ? 911 GLU A CA 1 ATOM 6809 C C . GLU A 1 849 ? -6.666 6.272 49.007 1.00 58.47 ? 911 GLU A C 1 ATOM 6810 O O . GLU A 1 849 ? -5.687 5.949 48.343 1.00 63.04 ? 911 GLU A O 1 ATOM 6811 C CB . GLU A 1 849 ? -6.992 8.716 49.183 1.00 60.40 ? 911 GLU A CB 1 ATOM 6812 C CG . GLU A 1 849 ? -7.563 9.968 48.539 1.00 58.27 ? 911 GLU A CG 1 ATOM 6813 C CD . GLU A 1 849 ? -7.364 11.184 49.406 1.00 62.78 ? 911 GLU A CD 1 ATOM 6814 O OE1 . GLU A 1 849 ? -7.850 11.169 50.560 1.00 57.39 ? 911 GLU A OE1 1 ATOM 6815 O OE2 . GLU A 1 849 ? -6.721 12.147 48.936 1.00 58.33 ? 911 GLU A OE2 1 ATOM 6816 N N . LEU A 1 850 ? -7.020 5.652 50.128 1.00 61.05 ? 912 LEU A N 1 ATOM 6817 C CA . LEU A 1 850 ? -6.312 4.456 50.589 1.00 63.39 ? 912 LEU A CA 1 ATOM 6818 C C . LEU A 1 850 ? -6.456 3.321 49.571 1.00 59.94 ? 912 LEU A C 1 ATOM 6819 O O . LEU A 1 850 ? -5.474 2.667 49.237 1.00 63.99 ? 912 LEU A O 1 ATOM 6820 C CB . LEU A 1 850 ? -6.819 4.016 51.967 1.00 68.24 ? 912 LEU A CB 1 ATOM 6821 C CG . LEU A 1 850 ? -6.207 2.732 52.545 1.00 62.32 ? 912 LEU A CG 1 ATOM 6822 C CD1 . LEU A 1 850 ? -4.727 2.904 52.868 1.00 62.94 ? 912 LEU A CD1 1 ATOM 6823 C CD2 . LEU A 1 850 ? -6.990 2.265 53.765 1.00 63.94 ? 912 LEU A CD2 1 ATOM 6824 N N . GLN A 1 851 ? -7.671 3.111 49.074 1.00 66.26 ? 913 GLN A N 1 ATOM 6825 C CA . GLN A 1 851 ? -7.943 2.089 48.044 1.00 70.63 ? 913 GLN A CA 1 ATOM 6826 C C . GLN A 1 851 ? -7.131 2.307 46.765 1.00 71.94 ? 913 GLN A C 1 ATOM 6827 O O . GLN A 1 851 ? -6.654 1.343 46.170 1.00 79.45 ? 913 GLN A O 1 ATOM 6828 C CB . GLN A 1 851 ? -9.441 2.029 47.706 1.00 78.92 ? 913 GLN A CB 1 ATOM 6829 C CG . GLN A 1 851 ? -10.304 1.363 48.783 1.00 87.30 ? 913 GLN A CG 1 ATOM 6830 C CD . GLN A 1 851 ? -11.787 1.777 48.770 1.00 88.88 ? 913 GLN A CD 1 ATOM 6831 O OE1 . GLN A 1 851 ? -12.466 1.694 49.802 1.00 86.29 ? 913 GLN A OE1 1 ATOM 6832 N NE2 . GLN A 1 851 ? -12.287 2.219 47.615 1.00 88.94 ? 913 GLN A NE2 1 ATOM 6833 N N . GLN A 1 852 ? -6.983 3.571 46.356 1.00 70.13 ? 914 GLN A N 1 ATOM 6834 C CA . GLN A 1 852 ? -6.181 3.950 45.179 1.00 70.06 ? 914 GLN A CA 1 ATOM 6835 C C . GLN A 1 852 ? -4.732 3.563 45.359 1.00 70.68 ? 914 GLN A C 1 ATOM 6836 O O . GLN A 1 852 ? -4.099 3.027 44.451 1.00 74.27 ? 914 GLN A O 1 ATOM 6837 C CB . GLN A 1 852 ? -6.191 5.467 44.951 1.00 74.48 ? 914 GLN A CB 1 ATOM 6838 C CG . GLN A 1 852 ? -7.439 6.071 44.326 1.00 71.12 ? 914 GLN A CG 1 ATOM 6839 C CD . GLN A 1 852 ? -7.296 7.583 44.147 1.00 81.71 ? 914 GLN A CD 1 ATOM 6840 O OE1 . GLN A 1 852 ? -6.593 8.272 44.916 1.00 93.55 ? 914 GLN A OE1 1 ATOM 6841 N NE2 . GLN A 1 852 ? -7.953 8.110 43.123 1.00 84.98 ? 914 GLN A NE2 1 ATOM 6842 N N . LEU A 1 853 ? -4.207 3.877 46.532 1.00 63.77 ? 915 LEU A N 1 ATOM 6843 C CA . LEU A 1 853 ? -2.821 3.628 46.841 1.00 64.94 ? 915 LEU A CA 1 ATOM 6844 C C . LEU A 1 853 ? -2.537 2.135 46.841 1.00 70.42 ? 915 LEU A C 1 ATOM 6845 O O . LEU A 1 853 ? -1.466 1.713 46.398 1.00 75.38 ? 915 LEU A O 1 ATOM 6846 C CB . LEU A 1 853 ? -2.487 4.243 48.194 1.00 67.37 ? 915 LEU A CB 1 ATOM 6847 C CG . LEU A 1 853 ? -1.026 4.250 48.661 1.00 67.10 ? 915 LEU A CG 1 ATOM 6848 C CD1 . LEU A 1 853 ? -0.106 4.817 47.598 1.00 64.17 ? 915 LEU A CD1 1 ATOM 6849 C CD2 . LEU A 1 853 ? -0.863 5.043 49.951 1.00 63.59 ? 915 LEU A CD2 1 ATOM 6850 N N . GLU A 1 854 ? -3.495 1.344 47.330 1.00 75.09 ? 916 GLU A N 1 ATOM 6851 C CA . GLU A 1 854 ? -3.393 -0.126 47.322 1.00 72.51 ? 916 GLU A CA 1 ATOM 6852 C C . GLU A 1 854 ? -3.380 -0.648 45.896 1.00 76.38 ? 916 GLU A C 1 ATOM 6853 O O . GLU A 1 854 ? -2.574 -1.500 45.548 1.00 81.33 ? 916 GLU A O 1 ATOM 6854 C CB . GLU A 1 854 ? -4.567 -0.768 48.075 1.00 72.43 ? 916 GLU A CB 1 ATOM 6855 C CG . GLU A 1 854 ? -4.608 -0.494 49.574 1.00 74.51 ? 916 GLU A CG 1 ATOM 6856 C CD . GLU A 1 854 ? -3.623 -1.330 50.388 1.00 79.66 ? 916 GLU A CD 1 ATOM 6857 O OE1 . GLU A 1 854 ? -2.838 -2.114 49.810 1.00 66.12 ? 916 GLU A OE1 1 ATOM 6858 O OE2 . GLU A 1 854 ? -3.634 -1.208 51.633 1.00 86.52 ? 916 GLU A OE2 1 ATOM 6859 N N . GLN A 1 855 ? -4.287 -0.130 45.077 1.00 79.55 ? 917 GLN A N 1 ATOM 6860 C CA . GLN A 1 855 ? -4.371 -0.493 43.670 1.00 90.27 ? 917 GLN A CA 1 ATOM 6861 C C . GLN A 1 855 ? -3.091 -0.123 42.884 1.00 89.10 ? 917 GLN A C 1 ATOM 6862 O O . GLN A 1 855 ? -2.681 -0.859 41.986 1.00 85.42 ? 917 GLN A O 1 ATOM 6863 C CB . GLN A 1 855 ? -5.616 0.157 43.048 1.00 84.14 ? 917 GLN A CB 1 ATOM 6864 C CG . GLN A 1 855 ? -5.911 -0.253 41.612 1.00 81.12 ? 917 GLN A CG 1 ATOM 6865 C CD . GLN A 1 855 ? -6.209 -1.730 41.478 1.00 93.31 ? 917 GLN A CD 1 ATOM 6866 O OE1 . GLN A 1 855 ? -5.402 -2.496 40.946 1.00 100.60 ? 917 GLN A OE1 1 ATOM 6867 N NE2 . GLN A 1 855 ? -7.371 -2.142 41.963 1.00 88.07 ? 917 GLN A NE2 1 ATOM 6868 N N . PHE A 1 856 ? -2.469 1.010 43.221 1.00 78.04 ? 918 PHE A N 1 ATOM 6869 C CA . PHE A 1 856 ? -1.178 1.397 42.627 1.00 82.59 ? 918 PHE A CA 1 ATOM 6870 C C . PHE A 1 856 ? -0.094 0.402 43.000 1.00 83.54 ? 918 PHE A C 1 ATOM 6871 O O . PHE A 1 856 ? 0.685 -0.019 42.154 1.00 82.64 ? 918 PHE A O 1 ATOM 6872 C CB . PHE A 1 856 ? -0.754 2.791 43.088 1.00 78.32 ? 918 PHE A CB 1 ATOM 6873 C CG . PHE A 1 856 ? 0.691 3.127 42.798 1.00 81.11 ? 918 PHE A CG 1 ATOM 6874 C CD1 . PHE A 1 856 ? 1.136 3.317 41.490 1.00 83.53 ? 918 PHE A CD1 1 ATOM 6875 C CD2 . PHE A 1 856 ? 1.613 3.275 43.841 1.00 88.67 ? 918 PHE A CD2 1 ATOM 6876 C CE1 . PHE A 1 856 ? 2.465 3.634 41.232 1.00 82.58 ? 918 PHE A CE1 1 ATOM 6877 C CE2 . PHE A 1 856 ? 2.945 3.598 43.584 1.00 76.91 ? 918 PHE A CE2 1 ATOM 6878 C CZ . PHE A 1 856 ? 3.371 3.774 42.277 1.00 81.13 ? 918 PHE A CZ 1 ATOM 6879 N N . LYS A 1 857 ? -0.047 0.048 44.280 1.00 85.73 ? 919 LYS A N 1 ATOM 6880 C CA . LYS A 1 857 ? 0.888 -0.950 44.783 1.00 85.42 ? 919 LYS A CA 1 ATOM 6881 C C . LYS A 1 857 ? 0.769 -2.256 43.995 1.00 81.88 ? 919 LYS A C 1 ATOM 6882 O O . LYS A 1 857 ? 1.747 -2.963 43.812 1.00 90.10 ? 919 LYS A O 1 ATOM 6883 C CB . LYS A 1 857 ? 0.656 -1.190 46.281 1.00 85.62 ? 919 LYS A CB 1 ATOM 6884 C CG . LYS A 1 857 ? 1.553 -2.255 46.894 1.00 81.81 ? 919 LYS A CG 1 ATOM 6885 C CD . LYS A 1 857 ? 1.189 -2.523 48.341 1.00 75.63 ? 919 LYS A CD 1 ATOM 6886 C CE . LYS A 1 857 ? 1.968 -3.709 48.884 1.00 72.56 ? 919 LYS A CE 1 ATOM 6887 N NZ . LYS A 1 857 ? 1.636 -3.904 50.313 1.00 73.87 ? 919 LYS A NZ 1 ATOM 6888 N N . LYS A 1 858 ? -0.430 -2.545 43.509 1.00 89.11 ? 920 LYS A N 1 ATOM 6889 C CA . LYS A 1 858 ? -0.664 -3.703 42.660 1.00 90.31 ? 920 LYS A CA 1 ATOM 6890 C C . LYS A 1 858 ? -0.051 -3.656 41.247 1.00 80.79 ? 920 LYS A C 1 ATOM 6891 O O . LYS A 1 858 ? -0.374 -4.505 40.422 1.00 87.67 ? 920 LYS A O 1 ATOM 6892 C CB . LYS A 1 858 ? -2.153 -4.013 42.599 1.00 90.75 ? 920 LYS A CB 1 ATOM 6893 C CG . LYS A 1 858 ? -2.583 -5.061 43.607 1.00 101.88 ? 920 LYS A CG 1 ATOM 6894 C CD . LYS A 1 858 ? -4.100 -5.137 43.669 1.00 103.74 ? 920 LYS A CD 1 ATOM 6895 C CE . LYS A 1 858 ? -4.578 -6.508 44.117 1.00 103.71 ? 920 LYS A CE 1 ATOM 6896 N NZ . LYS A 1 858 ? -5.846 -6.893 43.432 1.00 105.66 ? 920 LYS A NZ 1 ATOM 6897 N N . ASN A 1 859 ? 0.831 -2.687 40.969 1.00 101.39 ? 921 ASN A N 1 ATOM 6898 C CA . ASN A 1 859 ? 1.861 -2.889 39.929 1.00 115.09 ? 921 ASN A CA 1 ATOM 6899 C C . ASN A 1 859 ? 3.110 -3.492 40.598 1.00 115.96 ? 921 ASN A C 1 ATOM 6900 O O . ASN A 1 859 ? 4.238 -2.991 40.505 1.00 107.88 ? 921 ASN A O 1 ATOM 6901 C CB . ASN A 1 859 ? 2.116 -1.640 39.049 1.00 105.26 ? 921 ASN A CB 1 ATOM 6902 C CG . ASN A 1 859 ? 3.046 -0.603 39.683 1.00 98.53 ? 921 ASN A CG 1 ATOM 6903 O OD1 . ASN A 1 859 ? 3.636 -0.816 40.738 1.00 93.16 ? 921 ASN A OD1 1 ATOM 6904 N ND2 . ASN A 1 859 ? 3.178 0.537 39.014 1.00 90.90 ? 921 ASN A ND2 1 ATOM 6905 N N . ASN A 1 860 ? 2.836 -4.459 41.458 1.00 120.62 ? 922 ASN A N 1 ATOM 6906 C CA . ASN A 1 860 ? 3.860 -5.193 42.187 1.00 112.67 ? 922 ASN A CA 1 ATOM 6907 C C . ASN A 1 860 ? 4.690 -6.102 41.343 1.00 124.67 ? 922 ASN A C 1 ATOM 6908 O O . ASN A 1 860 ? 5.896 -6.201 41.516 1.00 126.87 ? 922 ASN A O 1 ATOM 6909 C CB . ASN A 1 860 ? 3.259 -5.989 43.334 1.00 120.52 ? 922 ASN A CB 1 ATOM 6910 C CG . ASN A 1 860 ? 4.022 -5.803 44.618 1.00 107.84 ? 922 ASN A CG 1 ATOM 6911 O OD1 . ASN A 1 860 ? 3.439 -5.630 45.670 1.00 98.37 ? 922 ASN A OD1 1 ATOM 6912 N ND2 . ASN A 1 860 ? 5.334 -5.829 44.530 1.00 94.75 ? 922 ASN A ND2 1 ATOM 6913 N N . MET A 1 861 ? 4.022 -6.741 40.390 1.00 157.13 ? 923 MET A N 1 ATOM 6914 C CA . MET A 1 861 ? 4.406 -8.048 39.878 1.00 157.58 ? 923 MET A CA 1 ATOM 6915 C C . MET A 1 861 ? 5.801 -7.920 39.374 1.00 146.13 ? 923 MET A C 1 ATOM 6916 O O . MET A 1 861 ? 6.606 -8.839 39.490 1.00 131.52 ? 923 MET A O 1 ATOM 6917 C CB . MET A 1 861 ? 3.505 -8.497 38.739 1.00 154.96 ? 923 MET A CB 1 ATOM 6918 C CG . MET A 1 861 ? 2.034 -8.188 38.941 1.00 156.86 ? 923 MET A CG 1 ATOM 6919 S SD . MET A 1 861 ? 1.497 -6.774 37.966 1.00 152.96 ? 923 MET A SD 1 ATOM 6920 C CE . MET A 1 861 ? 2.750 -6.672 36.682 1.00 158.05 ? 923 MET A CE 1 ATOM 6921 N N . ASP A 1 862 ? 6.078 -6.777 38.795 1.00 143.56 ? 924 ASP A N 1 ATOM 6922 C CA . ASP A 1 862 ? 7.432 -6.470 38.497 1.00 144.38 ? 924 ASP A CA 1 ATOM 6923 C C . ASP A 1 862 ? 7.541 -5.006 38.380 1.00 153.22 ? 924 ASP A C 1 ATOM 6924 O O . ASP A 1 862 ? 6.546 -4.304 38.350 1.00 148.09 ? 924 ASP A O 1 ATOM 6925 C CB . ASP A 1 862 ? 7.919 -7.206 37.266 1.00 142.40 ? 924 ASP A CB 1 ATOM 6926 C CG . ASP A 1 862 ? 8.670 -8.469 37.622 1.00 152.76 ? 924 ASP A CG 1 ATOM 6927 O OD1 . ASP A 1 862 ? 9.054 -8.612 38.801 1.00 131.41 ? 924 ASP A OD1 1 ATOM 6928 O OD2 . ASP A 1 862 ? 8.870 -9.316 36.735 1.00 157.87 ? 924 ASP A OD2 1 ATOM 6929 N N . VAL A 1 863 ? 8.767 -4.541 38.374 1.00 144.78 ? 925 VAL A N 1 ATOM 6930 C CA . VAL A 1 863 ? 9.000 -3.104 38.593 1.00 148.12 ? 925 VAL A CA 1 ATOM 6931 C C . VAL A 1 863 ? 9.339 -2.808 40.060 1.00 144.95 ? 925 VAL A C 1 ATOM 6932 O O . VAL A 1 863 ? 10.293 -2.070 40.329 1.00 139.33 ? 925 VAL A O 1 ATOM 6933 C CB . VAL A 1 863 ? 7.899 -2.155 38.008 1.00 144.79 ? 925 VAL A CB 1 ATOM 6934 C CG1 . VAL A 1 863 ? 7.268 -2.743 36.751 1.00 147.90 ? 925 VAL A CG1 1 ATOM 6935 C CG2 . VAL A 1 863 ? 6.829 -1.774 39.031 1.00 144.90 ? 925 VAL A CG2 1 ATOM 6936 N N . GLY A 1 864 ? 8.590 -3.405 40.993 1.00 128.61 ? 926 GLY A N 1 ATOM 6937 C CA . GLY A 1 864 ? 8.788 -3.164 42.417 1.00 114.32 ? 926 GLY A CA 1 ATOM 6938 C C . GLY A 1 864 ? 8.851 -1.673 42.683 1.00 111.83 ? 926 GLY A C 1 ATOM 6939 O O . GLY A 1 864 ? 8.229 -0.871 41.967 1.00 132.64 ? 926 GLY A O 1 ATOM 6940 N N . PHE A 1 865 ? 9.626 -1.287 43.684 1.00 113.24 ? 927 PHE A N 1 ATOM 6941 C CA . PHE A 1 865 ? 9.713 0.106 44.076 1.00 107.11 ? 927 PHE A CA 1 ATOM 6942 C C . PHE A 1 865 ? 11.080 0.551 44.581 1.00 126.06 ? 927 PHE A C 1 ATOM 6943 O O . PHE A 1 865 ? 11.171 1.486 45.357 1.00 136.35 ? 927 PHE A O 1 ATOM 6944 C CB . PHE A 1 865 ? 8.637 0.384 45.104 1.00 91.89 ? 927 PHE A CB 1 ATOM 6945 C CG . PHE A 1 865 ? 7.302 -0.100 44.669 1.00 103.36 ? 927 PHE A CG 1 ATOM 6946 C CD1 . PHE A 1 865 ? 6.980 -1.425 44.769 1.00 113.84 ? 927 PHE A CD1 1 ATOM 6947 C CD2 . PHE A 1 865 ? 6.398 0.751 44.085 1.00 100.37 ? 927 PHE A CD2 1 ATOM 6948 C CE1 . PHE A 1 865 ? 5.761 -1.894 44.329 1.00 112.45 ? 927 PHE A CE1 1 ATOM 6949 C CE2 . PHE A 1 865 ? 5.180 0.289 43.648 1.00 104.82 ? 927 PHE A CE2 1 ATOM 6950 C CZ . PHE A 1 865 ? 4.860 -1.037 43.773 1.00 102.26 ? 927 PHE A CZ 1 ATOM 6951 N N . GLY A 1 866 ? 12.139 -0.120 44.134 1.00 139.60 ? 928 GLY A N 1 ATOM 6952 C CA . GLY A 1 866 ? 13.499 0.205 44.531 1.00 125.43 ? 928 GLY A CA 1 ATOM 6953 C C . GLY A 1 866 ? 13.734 0.754 45.929 1.00 133.38 ? 928 GLY A C 1 ATOM 6954 O O . GLY A 1 866 ? 13.371 0.146 46.932 1.00 124.35 ? 928 GLY A O 1 ATOM 6955 N N . SER A 1 867 ? 14.347 1.931 45.976 1.00 130.42 ? 929 SER A N 1 ATOM 6956 C CA . SER A 1 867 ? 14.806 2.562 47.207 1.00 114.47 ? 929 SER A CA 1 ATOM 6957 C C . SER A 1 867 ? 13.716 3.236 48.014 1.00 113.19 ? 929 SER A C 1 ATOM 6958 O O . SER A 1 867 ? 13.917 3.660 49.130 1.00 109.13 ? 929 SER A O 1 ATOM 6959 C CB . SER A 1 867 ? 15.863 3.593 46.863 1.00 114.05 ? 929 SER A CB 1 ATOM 6960 O OG . SER A 1 867 ? 15.353 4.495 45.922 1.00 104.69 ? 929 SER A OG 1 ATOM 6961 N N . GLY A 1 868 ? 12.500 3.226 47.507 1.00 91.71 ? 930 GLY A N 1 ATOM 6962 C CA . GLY A 1 868 ? 11.397 3.692 48.311 1.00 94.18 ? 930 GLY A CA 1 ATOM 6963 C C . GLY A 1 868 ? 10.384 2.596 48.547 1.00 93.29 ? 930 GLY A C 1 ATOM 6964 O O . GLY A 1 868 ? 9.265 2.870 48.938 1.00 90.02 ? 930 GLY A O 1 ATOM 6965 N N . THR A 1 869 ? 10.799 1.362 48.299 1.00 100.65 ? 931 THR A N 1 ATOM 6966 C CA . THR A 1 869 ? 9.960 0.176 48.409 1.00 95.52 ? 931 THR A CA 1 ATOM 6967 C C . THR A 1 869 ? 8.925 0.244 49.465 1.00 110.78 ? 931 THR A C 1 ATOM 6968 O O . THR A 1 869 ? 7.767 -0.024 49.180 1.00 132.10 ? 931 THR A O 1 ATOM 6969 C CB . THR A 1 869 ? 10.789 -1.081 48.647 1.00 88.17 ? 931 THR A CB 1 ATOM 6970 O OG1 . THR A 1 869 ? 11.614 -1.227 47.525 1.00 102.46 ? 931 THR A OG1 1 ATOM 6971 C CG2 . THR A 1 869 ? 9.941 -2.310 48.726 1.00 80.55 ? 931 THR A CG2 1 ATOM 6972 N N . ARG A 1 870 ? 9.362 0.560 50.683 1.00 90.92 ? 932 ARG A N 1 ATOM 6973 C CA . ARG A 1 870 ? 8.502 0.612 51.855 1.00 96.47 ? 932 ARG A CA 1 ATOM 6974 C C . ARG A 1 870 ? 8.067 2.042 52.137 1.00 89.05 ? 932 ARG A C 1 ATOM 6975 O O . ARG A 1 870 ? 7.111 2.271 52.878 1.00 79.45 ? 932 ARG A O 1 ATOM 6976 C CB . ARG A 1 870 ? 9.220 0.030 53.074 1.00 98.69 ? 932 ARG A CB 1 ATOM 6977 C CG . ARG A 1 870 ? 10.216 0.980 53.719 1.00 112.09 ? 932 ARG A CG 1 ATOM 6978 C CD . ARG A 1 870 ? 11.569 0.913 53.030 1.00 103.25 ? 932 ARG A CD 1 ATOM 6979 N NE . ARG A 1 870 ? 12.665 0.800 53.988 1.00 104.57 ? 932 ARG A NE 1 ATOM 6980 C CZ . ARG A 1 870 ? 12.822 1.595 55.041 1.00 120.42 ? 932 ARG A CZ 1 ATOM 6981 N NH1 . ARG A 1 870 ? 13.850 1.419 55.860 1.00 115.86 ? 932 ARG A NH1 1 ATOM 6982 N NH2 . ARG A 1 870 ? 11.952 2.568 55.275 1.00 109.12 ? 932 ARG A NH2 1 ATOM 6983 N N . ALA A 1 871 ? 8.760 3.008 51.534 1.00 83.87 ? 933 ALA A N 1 ATOM 6984 C CA . ALA A 1 871 ? 8.324 4.402 51.568 1.00 76.55 ? 933 ALA A CA 1 ATOM 6985 C C . ALA A 1 871 ? 6.902 4.397 51.034 1.00 74.95 ? 933 ALA A C 1 ATOM 6986 O O . ALA A 1 871 ? 6.167 5.382 51.102 1.00 75.58 ? 933 ALA A O 1 ATOM 6987 C CB . ALA A 1 871 ? 9.221 5.267 50.701 1.00 81.34 ? 933 ALA A CB 1 ATOM 6988 N N . LEU A 1 872 ? 6.548 3.230 50.509 1.00 75.01 ? 934 LEU A N 1 ATOM 6989 C CA . LEU A 1 872 ? 5.201 2.887 50.121 1.00 68.72 ? 934 LEU A CA 1 ATOM 6990 C C . LEU A 1 872 ? 4.389 2.196 51.220 1.00 73.08 ? 934 LEU A C 1 ATOM 6991 O O . LEU A 1 872 ? 3.197 2.375 51.312 1.00 82.20 ? 934 LEU A O 1 ATOM 6992 C CB . LEU A 1 872 ? 5.248 2.009 48.899 1.00 66.74 ? 934 LEU A CB 1 ATOM 6993 C CG . LEU A 1 872 ? 3.932 1.454 48.400 1.00 69.13 ? 934 LEU A CG 1 ATOM 6994 C CD1 . LEU A 1 872 ? 2.991 2.582 48.101 1.00 61.44 ? 934 LEU A CD1 1 ATOM 6995 C CD2 . LEU A 1 872 ? 4.169 0.657 47.136 1.00 70.82 ? 934 LEU A CD2 1 ATOM 6996 N N . GLU A 1 873 ? 5.018 1.381 52.043 1.00 69.18 ? 935 GLU A N 1 ATOM 6997 C CA . GLU A 1 873 ? 4.307 0.772 53.182 1.00 70.64 ? 935 GLU A CA 1 ATOM 6998 C C . GLU A 1 873 ? 3.975 1.853 54.173 1.00 68.98 ? 935 GLU A C 1 ATOM 6999 O O . GLU A 1 873 ? 2.883 1.866 54.732 1.00 67.40 ? 935 GLU A O 1 ATOM 7000 C CB . GLU A 1 873 ? 5.125 -0.294 53.932 1.00 75.84 ? 935 GLU A CB 1 ATOM 7001 C CG . GLU A 1 873 ? 5.026 -1.748 53.457 1.00 82.24 ? 935 GLU A CG 1 ATOM 7002 C CD . GLU A 1 873 ? 3.706 -2.122 52.804 1.00 89.14 ? 935 GLU A CD 1 ATOM 7003 O OE1 . GLU A 1 873 ? 3.711 -2.516 51.610 1.00 87.28 ? 935 GLU A OE1 1 ATOM 7004 O OE2 . GLU A 1 873 ? 2.659 -2.034 53.480 1.00 82.82 ? 935 GLU A OE2 1 ATOM 7005 N N . GLN A 1 874 ? 4.952 2.731 54.405 1.00 74.09 ? 936 GLN A N 1 ATOM 7006 C CA . GLN A 1 874 ? 4.792 3.874 55.291 1.00 68.31 ? 936 GLN A CA 1 ATOM 7007 C C . GLN A 1 874 ? 3.620 4.750 54.845 1.00 69.03 ? 936 GLN A C 1 ATOM 7008 O O . GLN A 1 874 ? 2.878 5.266 55.689 1.00 67.45 ? 936 GLN A O 1 ATOM 7009 C CB . GLN A 1 874 ? 6.077 4.700 55.338 1.00 66.52 ? 936 GLN A CB 1 ATOM 7010 C CG . GLN A 1 874 ? 7.215 4.018 56.073 1.00 72.50 ? 936 GLN A CG 1 ATOM 7011 C CD . GLN A 1 874 ? 8.578 4.633 55.807 1.00 74.07 ? 936 GLN A CD 1 ATOM 7012 O OE1 . GLN A 1 874 ? 8.777 5.384 54.843 1.00 80.53 ? 936 GLN A OE1 1 ATOM 7013 N NE2 . GLN A 1 874 ? 9.537 4.303 56.668 1.00 75.38 ? 936 GLN A NE2 1 ATOM 7014 N N . ALA A 1 875 ? 3.459 4.896 53.527 1.00 62.19 ? 937 ALA A N 1 ATOM 7015 C CA . ALA A 1 875 ? 2.357 5.664 52.951 1.00 59.27 ? 937 ALA A CA 1 ATOM 7016 C C . ALA A 1 875 ? 0.993 5.046 53.241 1.00 62.24 ? 937 ALA A C 1 ATOM 7017 O O . ALA A 1 875 ? 0.033 5.765 53.501 1.00 62.19 ? 937 ALA A O 1 ATOM 7018 C CB . ALA A 1 875 ? 2.547 5.852 51.451 1.00 56.29 ? 937 ALA A CB 1 ATOM 7019 N N . LEU A 1 876 ? 0.908 3.723 53.197 1.00 65.22 ? 938 LEU A N 1 ATOM 7020 C CA . LEU A 1 876 ? -0.334 3.037 53.536 1.00 60.00 ? 938 LEU A CA 1 ATOM 7021 C C . LEU A 1 876 ? -0.682 3.222 55.004 1.00 60.98 ? 938 LEU A C 1 ATOM 7022 O O . LEU A 1 876 ? -1.825 3.536 55.329 1.00 64.47 ? 938 LEU A O 1 ATOM 7023 C CB . LEU A 1 876 ? -0.250 1.550 53.198 1.00 62.16 ? 938 LEU A CB 1 ATOM 7024 C CG . LEU A 1 876 ? -0.187 1.226 51.704 1.00 64.28 ? 938 LEU A CG 1 ATOM 7025 C CD1 . LEU A 1 876 ? 0.357 -0.176 51.486 1.00 70.41 ? 938 LEU A CD1 1 ATOM 7026 C CD2 . LEU A 1 876 ? -1.545 1.385 51.044 1.00 61.66 ? 938 LEU A CD2 1 ATOM 7027 N N . GLU A 1 877 ? 0.297 3.033 55.886 1.00 60.78 ? 939 GLU A N 1 ATOM 7028 C CA . GLU A 1 877 ? 0.047 3.163 57.313 1.00 65.11 ? 939 GLU A CA 1 ATOM 7029 C C . GLU A 1 877 ? -0.234 4.621 57.708 1.00 62.11 ? 939 GLU A C 1 ATOM 7030 O O . GLU A 1 877 ? -1.080 4.883 58.564 1.00 65.63 ? 939 GLU A O 1 ATOM 7031 C CB . GLU A 1 877 ? 1.196 2.563 58.120 1.00 64.20 ? 939 GLU A CB 1 ATOM 7032 C CG . GLU A 1 877 ? 1.321 3.099 59.544 1.00 68.40 ? 939 GLU A CG 1 ATOM 7033 C CD . GLU A 1 877 ? 1.642 2.028 60.567 1.00 78.06 ? 939 GLU A CD 1 ATOM 7034 O OE1 . GLU A 1 877 ? 2.534 2.254 61.422 1.00 88.04 ? 939 GLU A OE1 1 ATOM 7035 O OE2 . GLU A 1 877 ? 0.993 0.959 60.532 1.00 94.82 ? 939 GLU A OE2 1 ATOM 7036 N N . LYS A 1 878 ? 0.466 5.558 57.082 1.00 60.57 ? 940 LYS A N 1 ATOM 7037 C CA . LYS A 1 878 ? 0.230 6.977 57.315 1.00 59.43 ? 940 LYS A CA 1 ATOM 7038 C C . LYS A 1 878 ? -1.185 7.413 56.902 1.00 57.42 ? 940 LYS A C 1 ATOM 7039 O O . LYS A 1 878 ? -1.841 8.194 57.595 1.00 56.85 ? 940 LYS A O 1 ATOM 7040 C CB . LYS A 1 878 ? 1.263 7.806 56.556 1.00 59.78 ? 940 LYS A CB 1 ATOM 7041 C CG . LYS A 1 878 ? 1.220 9.291 56.869 1.00 58.98 ? 940 LYS A CG 1 ATOM 7042 C CD . LYS A 1 878 ? 1.529 9.525 58.340 1.00 65.18 ? 940 LYS A CD 1 ATOM 7043 C CE . LYS A 1 878 ? 1.428 10.991 58.709 1.00 62.23 ? 940 LYS A CE 1 ATOM 7044 N NZ . LYS A 1 878 ? 1.445 11.139 60.190 1.00 59.37 ? 940 LYS A NZ 1 ATOM 7045 N N . THR A 1 879 ? -1.643 6.912 55.762 1.00 54.48 ? 941 THR A N 1 ATOM 7046 C CA . THR A 1 879 ? -2.979 7.217 55.272 1.00 55.55 ? 941 THR A CA 1 ATOM 7047 C C . THR A 1 879 ? -4.058 6.694 56.223 1.00 57.26 ? 941 THR A C 1 ATOM 7048 O O . THR A 1 879 ? -5.045 7.376 56.464 1.00 54.07 ? 941 THR A O 1 ATOM 7049 C CB . THR A 1 879 ? -3.171 6.681 53.846 1.00 57.15 ? 941 THR A CB 1 ATOM 7050 O OG1 . THR A 1 879 ? -2.173 7.264 53.002 1.00 57.23 ? 941 THR A OG1 1 ATOM 7051 C CG2 . THR A 1 879 ? -4.551 7.027 53.308 1.00 53.13 ? 941 THR A CG2 1 ATOM 7052 N N . LYS A 1 880 ? -3.854 5.499 56.772 1.00 59.78 ? 942 LYS A N 1 ATOM 7053 C CA . LYS A 1 880 ? -4.774 4.941 57.757 1.00 59.82 ? 942 LYS A CA 1 ATOM 7054 C C . LYS A 1 880 ? -4.843 5.820 58.984 1.00 63.03 ? 942 LYS A C 1 ATOM 7055 O O . LYS A 1 880 ? -5.929 6.088 59.496 1.00 59.12 ? 942 LYS A O 1 ATOM 7056 C CB . LYS A 1 880 ? -4.349 3.535 58.157 1.00 62.77 ? 942 LYS A CB 1 ATOM 7057 C CG . LYS A 1 880 ? -4.544 2.530 57.031 1.00 67.57 ? 942 LYS A CG 1 ATOM 7058 C CD . LYS A 1 880 ? -3.841 1.216 57.323 1.00 68.27 ? 942 LYS A CD 1 ATOM 7059 C CE . LYS A 1 880 ? -3.859 0.301 56.107 1.00 67.56 ? 942 LYS A CE 1 ATOM 7060 N NZ . LYS A 1 880 ? -2.883 -0.812 56.282 1.00 64.53 ? 942 LYS A NZ 1 ATOM 7061 N N . ALA A 1 881 ? -3.683 6.264 59.459 1.00 59.23 ? 943 ALA A N 1 ATOM 7062 C CA . ALA A 1 881 ? -3.638 7.136 60.620 1.00 58.62 ? 943 ALA A CA 1 ATOM 7063 C C . ALA A 1 881 ? -4.296 8.477 60.295 1.00 57.87 ? 943 ALA A C 1 ATOM 7064 O O . ALA A 1 881 ? -4.962 9.053 61.153 1.00 63.61 ? 943 ALA A O 1 ATOM 7065 C CB . ALA A 1 881 ? -2.211 7.333 61.104 1.00 54.61 ? 943 ALA A CB 1 ATOM 7066 N N . ASN A 1 882 ? -4.126 8.958 59.062 1.00 56.16 ? 944 ASN A N 1 ATOM 7067 C CA . ASN A 1 882 ? -4.809 10.180 58.610 1.00 56.81 ? 944 ASN A CA 1 ATOM 7068 C C . ASN A 1 882 ? -6.327 10.050 58.535 1.00 61.55 ? 944 ASN A C 1 ATOM 7069 O O . ASN A 1 882 ? -7.042 10.952 58.974 1.00 56.96 ? 944 ASN A O 1 ATOM 7070 C CB . ASN A 1 882 ? -4.283 10.626 57.256 1.00 53.62 ? 944 ASN A CB 1 ATOM 7071 C CG . ASN A 1 882 ? -2.885 11.194 57.338 1.00 52.93 ? 944 ASN A CG 1 ATOM 7072 O OD1 . ASN A 1 882 ? -2.351 11.429 58.422 1.00 47.77 ? 944 ASN A OD1 1 ATOM 7073 N ND2 . ASN A 1 882 ? -2.276 11.408 56.186 1.00 55.00 ? 944 ASN A ND2 1 ATOM 7074 N N . ILE A 1 883 ? -6.804 8.943 57.967 1.00 55.43 ? 945 ILE A N 1 ATOM 7075 C CA . ILE A 1 883 ? -8.235 8.658 57.909 1.00 57.75 ? 945 ILE A CA 1 ATOM 7076 C C . ILE A 1 883 ? -8.808 8.759 59.315 1.00 60.20 ? 945 ILE A C 1 ATOM 7077 O O . ILE A 1 883 ? -9.820 9.425 59.544 1.00 59.00 ? 945 ILE A O 1 ATOM 7078 C CB . ILE A 1 883 ? -8.517 7.255 57.335 1.00 57.57 ? 945 ILE A CB 1 ATOM 7079 C CG1 . ILE A 1 883 ? -8.221 7.233 55.830 1.00 56.04 ? 945 ILE A CG1 1 ATOM 7080 C CG2 . ILE A 1 883 ? -9.964 6.829 57.620 1.00 54.96 ? 945 ILE A CG2 1 ATOM 7081 C CD1 . ILE A 1 883 ? -8.056 5.844 55.238 1.00 61.54 ? 945 ILE A CD1 1 ATOM 7082 N N . LYS A 1 884 ? -8.132 8.116 60.257 1.00 62.62 ? 946 LYS A N 1 ATOM 7083 C CA . LYS A 1 884 ? -8.600 8.051 61.628 1.00 61.21 ? 946 LYS A CA 1 ATOM 7084 C C . LYS A 1 884 ? -8.599 9.407 62.330 1.00 57.84 ? 946 LYS A C 1 ATOM 7085 O O . LYS A 1 884 ? -9.547 9.760 63.027 1.00 60.40 ? 946 LYS A O 1 ATOM 7086 C CB . LYS A 1 884 ? -7.746 7.060 62.390 1.00 61.10 ? 946 LYS A CB 1 ATOM 7087 C CG . LYS A 1 884 ? -8.219 6.778 63.795 1.00 68.21 ? 946 LYS A CG 1 ATOM 7088 C CD . LYS A 1 884 ? -7.575 5.489 64.290 1.00 75.23 ? 946 LYS A CD 1 ATOM 7089 C CE . LYS A 1 884 ? -8.072 5.097 65.674 1.00 81.55 ? 946 LYS A CE 1 ATOM 7090 N NZ . LYS A 1 884 ? -7.638 6.093 66.690 1.00 84.34 ? 946 LYS A NZ 1 ATOM 7091 N N . TRP A 1 885 ? -7.534 10.168 62.140 1.00 58.21 ? 947 TRP A N 1 ATOM 7092 C CA . TRP A 1 885 ? -7.427 11.486 62.747 1.00 59.12 ? 947 TRP A CA 1 ATOM 7093 C C . TRP A 1 885 ? -8.501 12.445 62.207 1.00 57.99 ? 947 TRP A C 1 ATOM 7094 O O . TRP A 1 885 ? -9.140 13.150 62.980 1.00 61.76 ? 947 TRP A O 1 ATOM 7095 C CB . TRP A 1 885 ? -6.025 12.049 62.491 1.00 55.66 ? 947 TRP A CB 1 ATOM 7096 C CG . TRP A 1 885 ? -5.756 13.349 63.163 1.00 52.48 ? 947 TRP A CG 1 ATOM 7097 C CD1 . TRP A 1 885 ? -5.212 13.523 64.390 1.00 53.80 ? 947 TRP A CD1 1 ATOM 7098 C CD2 . TRP A 1 885 ? -6.015 14.671 62.639 1.00 55.62 ? 947 TRP A CD2 1 ATOM 7099 N NE1 . TRP A 1 885 ? -5.102 14.872 64.673 1.00 56.20 ? 947 TRP A NE1 1 ATOM 7100 C CE2 . TRP A 1 885 ? -5.586 15.595 63.612 1.00 53.59 ? 947 TRP A CE2 1 ATOM 7101 C CE3 . TRP A 1 885 ? -6.570 15.161 61.446 1.00 53.90 ? 947 TRP A CE3 1 ATOM 7102 C CZ2 . TRP A 1 885 ? -5.691 16.987 63.430 1.00 52.06 ? 947 TRP A CZ2 1 ATOM 7103 C CZ3 . TRP A 1 885 ? -6.672 16.553 61.265 1.00 55.51 ? 947 TRP A CZ3 1 ATOM 7104 C CH2 . TRP A 1 885 ? -6.231 17.444 62.255 1.00 51.26 ? 947 TRP A CH2 1 ATOM 7105 N N . VAL A 1 886 ? -8.689 12.460 60.886 1.00 51.17 ? 948 VAL A N 1 ATOM 7106 C CA . VAL A 1 886 ? -9.686 13.319 60.231 1.00 53.29 ? 948 VAL A CA 1 ATOM 7107 C C . VAL A 1 886 ? -11.089 12.984 60.736 1.00 58.03 ? 948 VAL A C 1 ATOM 7108 O O . VAL A 1 886 ? -11.889 13.876 61.014 1.00 63.64 ? 948 VAL A O 1 ATOM 7109 C CB . VAL A 1 886 ? -9.584 13.206 58.692 1.00 54.80 ? 948 VAL A CB 1 ATOM 7110 C CG1 . VAL A 1 886 ? -10.845 13.704 57.969 1.00 53.73 ? 948 VAL A CG1 1 ATOM 7111 C CG2 . VAL A 1 886 ? -8.347 13.959 58.204 1.00 50.65 ? 948 VAL A CG2 1 ATOM 7112 N N . LYS A 1 887 ? -11.365 11.692 60.882 1.00 60.13 ? 949 LYS A N 1 ATOM 7113 C CA . LYS A 1 887 ? -12.649 11.231 61.398 1.00 65.67 ? 949 LYS A CA 1 ATOM 7114 C C . LYS A 1 887 ? -12.923 11.698 62.835 1.00 66.78 ? 949 LYS A C 1 ATOM 7115 O O . LYS A 1 887 ? -14.040 12.098 63.158 1.00 69.79 ? 949 LYS A O 1 ATOM 7116 C CB . LYS A 1 887 ? -12.735 9.707 61.325 1.00 70.85 ? 949 LYS A CB 1 ATOM 7117 C CG . LYS A 1 887 ? -14.169 9.216 61.339 1.00 77.19 ? 949 LYS A CG 1 ATOM 7118 C CD . LYS A 1 887 ? -14.345 7.851 61.975 1.00 83.51 ? 949 LYS A CD 1 ATOM 7119 C CE . LYS A 1 887 ? -15.603 7.183 61.414 1.00 94.72 ? 949 LYS A CE 1 ATOM 7120 N NZ . LYS A 1 887 ? -16.347 6.359 62.409 1.00 99.00 ? 949 LYS A NZ 1 ATOM 7121 N N . GLU A 1 888 ? -11.914 11.657 63.693 1.00 62.89 ? 950 GLU A N 1 ATOM 7122 C CA . GLU A 1 888 ? -12.088 12.062 65.081 1.00 65.27 ? 950 GLU A CA 1 ATOM 7123 C C . GLU A 1 888 ? -12.109 13.569 65.262 1.00 64.75 ? 950 GLU A C 1 ATOM 7124 O O . GLU A 1 888 ? -12.627 14.061 66.260 1.00 74.53 ? 950 GLU A O 1 ATOM 7125 C CB . GLU A 1 888 ? -10.954 11.510 65.936 1.00 69.52 ? 950 GLU A CB 1 ATOM 7126 C CG . GLU A 1 888 ? -10.836 9.996 65.923 1.00 76.89 ? 950 GLU A CG 1 ATOM 7127 C CD . GLU A 1 888 ? -9.789 9.490 66.897 1.00 76.39 ? 950 GLU A CD 1 ATOM 7128 O OE1 . GLU A 1 888 ? -8.740 10.157 67.092 1.00 76.09 ? 950 GLU A OE1 1 ATOM 7129 O OE2 . GLU A 1 888 ? -10.033 8.416 67.468 1.00 81.08 ? 950 GLU A OE2 1 ATOM 7130 N N . ASN A 1 889 ? -11.541 14.299 64.308 1.00 61.65 ? 951 ASN A N 1 ATOM 7131 C CA . ASN A 1 889 ? -11.255 15.739 64.497 1.00 62.35 ? 951 ASN A CA 1 ATOM 7132 C C . ASN A 1 889 ? -12.032 16.727 63.631 1.00 60.84 ? 951 ASN A C 1 ATOM 7133 O O . ASN A 1 889 ? -12.134 17.912 63.967 1.00 55.77 ? 951 ASN A O 1 ATOM 7134 C CB . ASN A 1 889 ? -9.769 15.999 64.274 1.00 57.99 ? 951 ASN A CB 1 ATOM 7135 C CG . ASN A 1 889 ? -8.926 15.559 65.446 1.00 59.52 ? 951 ASN A CG 1 ATOM 7136 O OD1 . ASN A 1 889 ? -8.941 16.197 66.497 1.00 64.67 ? 951 ASN A OD1 1 ATOM 7137 N ND2 . ASN A 1 889 ? -8.184 14.468 65.278 1.00 56.17 ? 951 ASN A ND2 1 ATOM 7138 N N . LYS A 1 890 ? -12.557 16.240 62.514 1.00 55.91 ? 952 LYS A N 1 ATOM 7139 C CA . LYS A 1 890 ? -13.160 17.093 61.501 1.00 54.01 ? 952 LYS A CA 1 ATOM 7140 C C . LYS A 1 890 ? -14.215 18.056 62.065 1.00 60.53 ? 952 LYS A C 1 ATOM 7141 O O . LYS A 1 890 ? -14.120 19.276 61.859 1.00 56.19 ? 952 LYS A O 1 ATOM 7142 C CB . LYS A 1 890 ? -13.770 16.218 60.413 1.00 61.86 ? 952 LYS A CB 1 ATOM 7143 C CG . LYS A 1 890 ? -13.931 16.895 59.068 1.00 70.00 ? 952 LYS A CG 1 ATOM 7144 C CD . LYS A 1 890 ? -15.365 17.342 58.798 1.00 82.64 ? 952 LYS A CD 1 ATOM 7145 C CE . LYS A 1 890 ? -15.756 17.092 57.339 1.00 87.44 ? 952 LYS A CE 1 ATOM 7146 N NZ . LYS A 1 890 ? -14.804 17.697 56.351 1.00 84.46 ? 952 LYS A NZ 1 ATOM 7147 N N . GLU A 1 891 ? -15.192 17.502 62.783 1.00 59.65 ? 953 GLU A N 1 ATOM 7148 C CA . GLU A 1 891 ? -16.335 18.260 63.299 1.00 64.45 ? 953 GLU A CA 1 ATOM 7149 C C . GLU A 1 891 ? -15.910 19.343 64.268 1.00 62.89 ? 953 GLU A C 1 ATOM 7150 O O . GLU A 1 891 ? -16.274 20.509 64.125 1.00 62.59 ? 953 GLU A O 1 ATOM 7151 C CB . GLU A 1 891 ? -17.305 17.323 64.026 1.00 66.49 ? 953 GLU A CB 1 ATOM 7152 C CG . GLU A 1 891 ? -18.484 16.882 63.204 1.00 84.30 ? 953 GLU A CG 1 ATOM 7153 C CD . GLU A 1 891 ? -19.459 18.022 62.944 1.00 94.80 ? 953 GLU A CD 1 ATOM 7154 O OE1 . GLU A 1 891 ? -19.266 18.787 61.955 1.00 90.69 ? 953 GLU A OE1 1 ATOM 7155 O OE2 . GLU A 1 891 ? -20.430 18.144 63.731 1.00 108.19 ? 953 GLU A OE2 1 ATOM 7156 N N . VAL A 1 892 ? -15.139 18.917 65.262 1.00 65.58 ? 954 VAL A N 1 ATOM 7157 C CA . VAL A 1 892 ? -14.646 19.773 66.321 1.00 64.83 ? 954 VAL A CA 1 ATOM 7158 C C . VAL A 1 892 ? -13.823 20.925 65.738 1.00 59.66 ? 954 VAL A C 1 ATOM 7159 O O . VAL A 1 892 ? -14.001 22.084 66.106 1.00 60.08 ? 954 VAL A O 1 ATOM 7160 C CB . VAL A 1 892 ? -13.813 18.938 67.317 1.00 64.10 ? 954 VAL A CB 1 ATOM 7161 C CG1 . VAL A 1 892 ? -13.147 19.818 68.335 1.00 66.67 ? 954 VAL A CG1 1 ATOM 7162 C CG2 . VAL A 1 892 ? -14.708 17.943 68.041 1.00 70.44 ? 954 VAL A CG2 1 ATOM 7163 N N . VAL A 1 893 ? -12.930 20.603 64.814 1.00 55.45 ? 955 VAL A N 1 ATOM 7164 C CA . VAL A 1 893 ? -12.062 21.619 64.221 1.00 58.81 ? 955 VAL A CA 1 ATOM 7165 C C . VAL A 1 893 ? -12.835 22.610 63.336 1.00 52.93 ? 955 VAL A C 1 ATOM 7166 O O . VAL A 1 893 ? -12.623 23.823 63.409 1.00 55.07 ? 955 VAL A O 1 ATOM 7167 C CB . VAL A 1 893 ? -10.882 20.971 63.460 1.00 59.95 ? 955 VAL A CB 1 ATOM 7168 C CG1 . VAL A 1 893 ? -10.116 22.007 62.644 1.00 58.21 ? 955 VAL A CG1 1 ATOM 7169 C CG2 . VAL A 1 893 ? -9.940 20.275 64.442 1.00 57.78 ? 955 VAL A CG2 1 ATOM 7170 N N . LEU A 1 894 ? -13.733 22.088 62.510 1.00 57.33 ? 956 LEU A N 1 ATOM 7171 C CA . LEU A 1 894 ? -14.620 22.922 61.716 1.00 54.71 ? 956 LEU A CA 1 ATOM 7172 C C . LEU A 1 894 ? -15.309 23.998 62.550 1.00 60.34 ? 956 LEU A C 1 ATOM 7173 O O . LEU A 1 894 ? -15.244 25.192 62.232 1.00 59.90 ? 956 LEU A O 1 ATOM 7174 C CB . LEU A 1 894 ? -15.681 22.058 61.040 1.00 57.19 ? 956 LEU A CB 1 ATOM 7175 C CG . LEU A 1 894 ? -16.731 22.782 60.208 1.00 58.96 ? 956 LEU A CG 1 ATOM 7176 C CD1 . LEU A 1 894 ? -16.073 23.586 59.096 1.00 58.39 ? 956 LEU A CD1 1 ATOM 7177 C CD2 . LEU A 1 894 ? -17.729 21.782 59.629 1.00 57.87 ? 956 LEU A CD2 1 ATOM 7178 N N . ASN A 1 895 ? -15.970 23.559 63.616 1.00 58.88 ? 957 ASN A N 1 ATOM 7179 C CA . ASN A 1 895 ? -16.758 24.445 64.448 1.00 64.93 ? 957 ASN A CA 1 ATOM 7180 C C . ASN A 1 895 ? -15.917 25.427 65.235 1.00 65.17 ? 957 ASN A C 1 ATOM 7181 O O . ASN A 1 895 ? -16.362 26.537 65.512 1.00 66.34 ? 957 ASN A O 1 ATOM 7182 C CB . ASN A 1 895 ? -17.676 23.638 65.358 1.00 66.13 ? 957 ASN A CB 1 ATOM 7183 C CG . ASN A 1 895 ? -18.852 23.037 64.596 1.00 78.02 ? 957 ASN A CG 1 ATOM 7184 O OD1 . ASN A 1 895 ? -19.646 23.763 63.979 1.00 79.88 ? 957 ASN A OD1 1 ATOM 7185 N ND2 . ASN A 1 895 ? -18.965 21.707 64.621 1.00 75.59 ? 957 ASN A ND2 1 ATOM 7186 N N . TRP A 1 896 ? -14.702 25.024 65.585 1.00 57.55 ? 958 TRP A N 1 ATOM 7187 C CA . TRP A 1 896 ? -13.781 25.926 66.263 1.00 59.55 ? 958 TRP A CA 1 ATOM 7188 C C . TRP A 1 896 ? -13.351 27.083 65.341 1.00 60.26 ? 958 TRP A C 1 ATOM 7189 O O . TRP A 1 896 ? -13.420 28.259 65.733 1.00 61.35 ? 958 TRP A O 1 ATOM 7190 C CB . TRP A 1 896 ? -12.573 25.168 66.811 1.00 54.16 ? 958 TRP A CB 1 ATOM 7191 C CG . TRP A 1 896 ? -11.762 26.006 67.754 1.00 59.86 ? 958 TRP A CG 1 ATOM 7192 C CD1 . TRP A 1 896 ? -11.826 25.989 69.112 1.00 55.95 ? 958 TRP A CD1 1 ATOM 7193 C CD2 . TRP A 1 896 ? -10.798 27.012 67.404 1.00 56.01 ? 958 TRP A CD2 1 ATOM 7194 N NE1 . TRP A 1 896 ? -10.945 26.906 69.635 1.00 59.60 ? 958 TRP A NE1 1 ATOM 7195 C CE2 . TRP A 1 896 ? -10.302 27.549 68.608 1.00 55.85 ? 958 TRP A CE2 1 ATOM 7196 C CE3 . TRP A 1 896 ? -10.298 27.503 66.191 1.00 51.34 ? 958 TRP A CE3 1 ATOM 7197 C CZ2 . TRP A 1 896 ? -9.338 28.561 68.638 1.00 58.40 ? 958 TRP A CZ2 1 ATOM 7198 C CZ3 . TRP A 1 896 ? -9.327 28.500 66.222 1.00 55.10 ? 958 TRP A CZ3 1 ATOM 7199 C CH2 . TRP A 1 896 ? -8.857 29.018 67.443 1.00 54.69 ? 958 TRP A CH2 1 ATOM 7200 N N . PHE A 1 897 ? -12.937 26.764 64.114 1.00 59.75 ? 959 PHE A N 1 ATOM 7201 C CA . PHE A 1 897 ? -12.570 27.813 63.153 1.00 61.47 ? 959 PHE A CA 1 ATOM 7202 C C . PHE A 1 897 ? -13.752 28.727 62.812 1.00 65.55 ? 959 PHE A C 1 ATOM 7203 O O . PHE A 1 897 ? -13.591 29.955 62.756 1.00 61.43 ? 959 PHE A O 1 ATOM 7204 C CB . PHE A 1 897 ? -11.952 27.230 61.881 1.00 56.64 ? 959 PHE A CB 1 ATOM 7205 C CG . PHE A 1 897 ? -10.537 26.747 62.061 1.00 54.31 ? 959 PHE A CG 1 ATOM 7206 C CD1 . PHE A 1 897 ? -9.583 27.552 62.662 1.00 53.42 ? 959 PHE A CD1 1 ATOM 7207 C CD2 . PHE A 1 897 ? -10.156 25.501 61.600 1.00 54.41 ? 959 PHE A CD2 1 ATOM 7208 C CE1 . PHE A 1 897 ? -8.289 27.105 62.827 1.00 50.28 ? 959 PHE A CE1 1 ATOM 7209 C CE2 . PHE A 1 897 ? -8.871 25.056 61.752 1.00 52.25 ? 959 PHE A CE2 1 ATOM 7210 C CZ . PHE A 1 897 ? -7.934 25.860 62.366 1.00 49.58 ? 959 PHE A CZ 1 ATOM 7211 N N . ILE A 1 898 ? -14.923 28.138 62.622 1.00 70.75 ? 960 ILE A N 1 ATOM 7212 C CA . ILE A 1 898 ? -16.131 28.922 62.354 1.00 68.68 ? 960 ILE A CA 1 ATOM 7213 C C . ILE A 1 898 ? -16.356 29.827 63.528 1.00 68.67 ? 960 ILE A C 1 ATOM 7214 O O . ILE A 1 898 ? -16.542 31.009 63.388 1.00 70.47 ? 960 ILE A O 1 ATOM 7215 C CB . ILE A 1 898 ? -17.378 28.050 62.139 1.00 65.82 ? 960 ILE A CB 1 ATOM 7216 C CG1 . ILE A 1 898 ? -17.260 27.256 60.848 1.00 65.24 ? 960 ILE A CG1 1 ATOM 7217 C CG2 . ILE A 1 898 ? -18.625 28.919 62.059 1.00 62.26 ? 960 ILE A CG2 1 ATOM 7218 C CD1 . ILE A 1 898 ? -18.398 26.318 60.578 1.00 59.90 ? 960 ILE A CD1 1 ATOM 7219 N N . GLU A 1 899 ? -16.313 29.239 64.694 1.00 66.03 ? 961 GLU A N 1 ATOM 7220 C CA . GLU A 1 899 ? -16.575 29.969 65.882 1.00 70.34 ? 961 GLU A CA 1 ATOM 7221 C C . GLU A 1 899 ? -15.586 31.089 66.090 1.00 69.73 ? 961 GLU A C 1 ATOM 7222 O O . GLU A 1 899 ? -15.933 32.107 66.643 1.00 72.17 ? 961 GLU A O 1 ATOM 7223 C CB . GLU A 1 899 ? -16.604 29.015 67.041 1.00 70.82 ? 961 GLU A CB 1 ATOM 7224 C CG . GLU A 1 899 ? -16.827 29.665 68.371 1.00 69.82 ? 961 GLU A CG 1 ATOM 7225 C CD . GLU A 1 899 ? -18.177 30.331 68.494 1.00 75.36 ? 961 GLU A CD 1 ATOM 7226 O OE1 . GLU A 1 899 ? -18.304 31.147 69.406 1.00 101.92 ? 961 GLU A OE1 1 ATOM 7227 O OE2 . GLU A 1 899 ? -19.091 30.069 67.688 1.00 80.26 ? 961 GLU A OE2 1 ATOM 7228 N N . HIS A 1 900 ? -14.354 30.926 65.628 1.00 64.66 ? 962 HIS A N 1 ATOM 7229 C CA . HIS A 1 900 ? -13.341 31.928 65.905 1.00 60.65 ? 962 HIS A CA 1 ATOM 7230 C C . HIS A 1 900 ? -12.889 32.824 64.773 1.00 64.17 ? 962 HIS A C 1 ATOM 7231 O O . HIS A 1 900 ? -12.028 33.636 64.952 1.00 62.80 ? 962 HIS A O 1 ATOM 7232 C CB . HIS A 1 900 ? -12.172 31.283 66.593 1.00 57.90 ? 962 HIS A CB 1 ATOM 7233 C CG . HIS A 1 900 ? -12.515 30.679 67.909 1.00 64.77 ? 962 HIS A CG 1 ATOM 7234 N ND1 . HIS A 1 900 ? -12.385 31.361 69.093 1.00 67.54 ? 962 HIS A ND1 1 ATOM 7235 C CD2 . HIS A 1 900 ? -12.958 29.451 68.232 1.00 61.19 ? 962 HIS A CD2 1 ATOM 7236 C CE1 . HIS A 1 900 ? -12.733 30.576 70.088 1.00 69.34 ? 962 HIS A CE1 1 ATOM 7237 N NE2 . HIS A 1 900 ? -13.093 29.414 69.590 1.00 61.49 ? 962 HIS A NE2 1 ATOM 7238 N N . SER A 1 901 ? -13.505 32.709 63.621 1.00 66.24 ? 963 SER A N 1 ATOM 7239 C CA . SER A 1 901 ? -13.153 33.549 62.486 1.00 65.26 ? 963 SER A CA 1 ATOM 7240 C C . SER A 1 901 ? -14.071 34.754 62.335 1.00 70.93 ? 963 SER A C 1 ATOM 7241 O O . SER A 1 901 ? -14.074 35.395 61.281 1.00 82.06 ? 963 SER A O 1 ATOM 7242 C CB . SER A 1 901 ? -13.140 32.730 61.204 1.00 63.97 ? 963 SER A CB 1 ATOM 7243 O OG . SER A 1 901 ? -14.347 32.011 61.069 1.00 65.90 ? 963 SER A OG 1 ATOM 7244 N N . SER A 1 902 ? -14.831 35.071 63.386 1.00 80.64 ? 964 SER A N 1 ATOM 7245 C CA . SER A 1 902 ? -15.741 36.205 63.378 1.00 86.20 ? 964 SER A CA 1 ATOM 7246 C C . SER A 1 902 ? -16.939 35.913 62.492 1.00 89.61 ? 964 SER A C 1 ATOM 7247 O O . SER A 1 902 ? -18.021 35.612 62.981 1.00 88.89 ? 964 SER A O 1 ATOM 7248 C CB . SER A 1 902 ? -15.032 37.488 62.917 1.00 85.51 ? 964 SER A CB 1 ATOM 7249 O OG . SER A 1 902 ? -15.961 38.542 62.801 1.00 94.64 ? 964 SER A OG 1 ATOM 7250 N N . CYS B 2 1 ? 30.999 15.140 60.568 1.00 26.61 ? 1 CYS B N 1 ATOM 7251 C CA . CYS B 2 1 ? 30.197 15.525 59.447 1.00 29.47 ? 1 CYS B CA 1 ATOM 7252 C C . CYS B 2 1 ? 28.894 16.199 59.886 1.00 35.05 ? 1 CYS B C 1 ATOM 7253 O O . CYS B 2 1 ? 28.376 15.924 60.927 1.00 30.92 ? 1 CYS B O 1 ATOM 7254 C CB . CYS B 2 1 ? 29.951 14.277 58.612 1.00 35.28 ? 1 CYS B CB 1 ATOM 7255 S SG . CYS B 2 1 ? 28.870 14.354 57.200 1.00 45.07 ? 1 CYS B SG 1 ATOM 7256 N N . ASN B 2 2 ? 28.351 17.073 59.052 1.00 36.63 ? 2 ASN B N 1 ATOM 7257 C CA . ASN B 2 2 ? 27.031 17.680 59.288 1.00 38.45 ? 2 ASN B CA 1 ATOM 7258 C C . ASN B 2 2 ? 26.218 17.722 58.005 1.00 39.91 ? 2 ASN B C 1 ATOM 7259 O O . ASN B 2 2 ? 26.735 18.043 56.981 1.00 40.96 ? 2 ASN B O 1 ATOM 7260 C CB . ASN B 2 2 ? 27.178 19.085 59.881 1.00 39.20 ? 2 ASN B CB 1 ATOM 7261 C CG . ASN B 2 2 ? 25.904 19.622 60.542 1.00 39.48 ? 2 ASN B CG 1 ATOM 7262 O OD1 . ASN B 2 2 ? 25.063 18.897 61.033 1.00 37.92 ? 2 ASN B OD1 1 ATOM 7263 N ND2 . ASN B 2 2 ? 25.793 20.919 60.553 1.00 37.17 ? 2 ASN B ND2 1 ATOM 7264 N N . GLY B 2 3 ? 24.945 17.384 58.080 1.00 42.00 ? 3 GLY B N 1 ATOM 7265 C CA . GLY B 2 3 ? 24.105 17.308 56.906 1.00 39.81 ? 3 GLY B CA 1 ATOM 7266 C C . GLY B 2 3 ? 23.702 15.872 56.692 1.00 42.51 ? 3 GLY B C 1 ATOM 7267 O O . GLY B 2 3 ? 23.066 15.302 57.540 1.00 61.45 ? 3 GLY B O 1 ATOM 7268 N N . ARG B 2 4 ? 24.149 15.294 55.584 1.00 48.46 ? 4 ARG B N 1 ATOM 7269 C CA . ARG B 2 4 ? 23.939 13.903 55.211 1.00 40.23 ? 4 ARG B CA 1 ATOM 7270 C C . ARG B 2 4 ? 25.145 12.995 55.473 1.00 53.82 ? 4 ARG B C 1 ATOM 7271 O O . ARG B 2 4 ? 25.999 12.791 54.632 1.00 61.98 ? 4 ARG B O 1 ATOM 7272 C CB . ARG B 2 4 ? 23.727 13.913 53.738 1.00 49.11 ? 4 ARG B CB 1 ATOM 7273 C CG . ARG B 2 4 ? 22.759 12.932 53.243 1.00 51.46 ? 4 ARG B CG 1 ATOM 7274 C CD . ARG B 2 4 ? 21.945 13.814 52.380 1.00 55.22 ? 4 ARG B CD 1 ATOM 7275 N NE . ARG B 2 4 ? 22.680 14.232 51.208 1.00 56.26 ? 4 ARG B NE 1 ATOM 7276 C CZ . ARG B 2 4 ? 22.318 15.291 50.516 1.00 57.86 ? 4 ARG B CZ 1 ATOM 7277 N NH1 . ARG B 2 4 ? 21.340 16.062 50.958 1.00 67.61 ? 4 ARG B NH1 1 ATOM 7278 N NH2 . ARG B 2 4 ? 22.922 15.590 49.396 1.00 69.63 ? 4 ARG B NH2 1 ATOM 7279 N N . CYS B 2 5 ? 25.216 12.418 56.647 1.00 46.64 ? 5 CYS B N 1 ATOM 7280 C CA . CYS B 2 5 ? 26.445 11.805 57.088 1.00 37.09 ? 5 CYS B CA 1 ATOM 7281 C C . CYS B 2 5 ? 26.357 10.284 57.252 1.00 38.22 ? 5 CYS B C 1 ATOM 7282 O O . CYS B 2 5 ? 25.289 9.734 57.363 1.00 48.27 ? 5 CYS B O 1 ATOM 7283 C CB . CYS B 2 5 ? 26.904 12.543 58.338 1.00 41.50 ? 5 CYS B CB 1 ATOM 7284 S SG . CYS B 2 5 ? 27.088 14.298 58.002 1.00 43.42 ? 5 CYS B SG 1 ATOM 7285 N N . GLY B 2 6 ? 27.503 9.629 57.163 1.00 40.98 ? 6 GLY B N 1 ATOM 7286 C CA . GLY B 2 6 ? 27.638 8.199 57.309 1.00 39.82 ? 6 GLY B CA 1 ATOM 7287 C C . GLY B 2 6 ? 29.091 7.936 57.603 1.00 36.57 ? 6 GLY B C 1 ATOM 7288 O O . GLY B 2 6 ? 29.468 6.802 58.012 1.00 39.72 ? 6 GLY B O 1 ATOM 7289 O OXT . GLY B 2 6 ? 29.811 8.945 57.389 1.00 38.35 ? 6 GLY B OXT 1 HETATM 7290 ZN ZN . ZN C 3 . ? 29.583 17.920 63.304 1.00 30.16 ? 1001 ZN A ZN 1 HETATM 7291 C C1 . NAG D 4 . ? 59.028 10.174 55.701 1.00 36.56 ? 1002 NAG A C1 1 HETATM 7292 C C2 . NAG D 4 . ? 60.311 9.360 55.767 1.00 40.79 ? 1002 NAG A C2 1 HETATM 7293 C C3 . NAG D 4 . ? 61.456 10.212 56.267 1.00 37.74 ? 1002 NAG A C3 1 HETATM 7294 C C4 . NAG D 4 . ? 61.617 11.443 55.400 1.00 40.36 ? 1002 NAG A C4 1 HETATM 7295 C C5 . NAG D 4 . ? 60.291 12.198 55.391 1.00 41.23 ? 1002 NAG A C5 1 HETATM 7296 C C6 . NAG D 4 . ? 60.238 13.405 54.454 1.00 47.81 ? 1002 NAG A C6 1 HETATM 7297 C C7 . NAG D 4 . ? 60.451 7.013 56.426 1.00 41.69 ? 1002 NAG A C7 1 HETATM 7298 C C8 . NAG D 4 . ? 60.156 5.991 57.488 1.00 40.46 ? 1002 NAG A C8 1 HETATM 7299 N N2 . NAG D 4 . ? 60.100 8.268 56.682 1.00 35.98 ? 1002 NAG A N2 1 HETATM 7300 O O3 . NAG D 4 . ? 62.574 9.404 56.106 1.00 40.44 ? 1002 NAG A O3 1 HETATM 7301 O O4 . NAG D 4 . ? 62.685 12.184 55.945 1.00 48.93 ? 1002 NAG A O4 1 HETATM 7302 O O5 . NAG D 4 . ? 59.309 11.324 54.914 1.00 38.30 ? 1002 NAG A O5 1 HETATM 7303 O O6 . NAG D 4 . ? 60.748 13.051 53.185 1.00 50.51 ? 1002 NAG A O6 1 HETATM 7304 O O7 . NAG D 4 . ? 61.015 6.643 55.413 1.00 32.63 ? 1002 NAG A O7 1 HETATM 7305 C C1 . NAG E 4 . ? 63.662 12.613 54.960 1.00 62.44 ? 1003 NAG A C1 1 HETATM 7306 C C2 . NAG E 4 . ? 64.408 13.698 55.714 1.00 67.97 ? 1003 NAG A C2 1 HETATM 7307 C C3 . NAG E 4 . ? 65.770 14.122 55.149 1.00 91.76 ? 1003 NAG A C3 1 HETATM 7308 C C4 . NAG E 4 . ? 66.302 13.392 53.911 1.00 111.79 ? 1003 NAG A C4 1 HETATM 7309 C C5 . NAG E 4 . ? 65.358 12.294 53.398 1.00 143.07 ? 1003 NAG A C5 1 HETATM 7310 C C6 . NAG E 4 . ? 66.127 11.237 52.612 1.00 216.78 ? 1003 NAG A C6 1 HETATM 7311 C C7 . NAG E 4 . ? 63.237 15.135 57.258 1.00 71.65 ? 1003 NAG A C7 1 HETATM 7312 C C8 . NAG E 4 . ? 63.847 14.425 58.434 1.00 85.80 ? 1003 NAG A C8 1 HETATM 7313 N N2 . NAG E 4 . ? 63.523 14.780 56.009 1.00 58.25 ? 1003 NAG A N2 1 HETATM 7314 O O3 . NAG E 4 . ? 66.705 13.941 56.188 1.00 96.28 ? 1003 NAG A O3 1 HETATM 7315 O O4 . NAG E 4 . ? 66.565 14.397 52.929 1.00 114.52 ? 1003 NAG A O4 1 HETATM 7316 O O5 . NAG E 4 . ? 64.631 11.694 54.473 1.00 76.20 ? 1003 NAG A O5 1 HETATM 7317 O O6 . NAG E 4 . ? 65.792 9.941 53.082 1.00 187.05 ? 1003 NAG A O6 1 HETATM 7318 O O7 . NAG E 4 . ? 62.480 16.059 57.473 1.00 74.55 ? 1003 NAG A O7 1 HETATM 7319 C C1 . NAG F 4 . ? 42.356 -2.842 40.061 1.00 55.69 ? 1004 NAG A C1 1 HETATM 7320 C C2 . NAG F 4 . ? 42.115 -1.837 38.937 1.00 62.67 ? 1004 NAG A C2 1 HETATM 7321 C C3 . NAG F 4 . ? 40.853 -2.277 38.195 1.00 69.35 ? 1004 NAG A C3 1 HETATM 7322 C C4 . NAG F 4 . ? 40.940 -3.743 37.729 1.00 80.86 ? 1004 NAG A C4 1 HETATM 7323 C C5 . NAG F 4 . ? 41.343 -4.627 38.926 1.00 78.48 ? 1004 NAG A C5 1 HETATM 7324 C C6 . NAG F 4 . ? 41.612 -6.085 38.592 1.00 75.57 ? 1004 NAG A C6 1 HETATM 7325 C C7 . NAG F 4 . ? 42.899 0.503 39.337 1.00 48.37 ? 1004 NAG A C7 1 HETATM 7326 C C8 . NAG F 4 . ? 42.556 1.825 39.936 1.00 40.39 ? 1004 NAG A C8 1 HETATM 7327 N N2 . NAG F 4 . ? 41.987 -0.473 39.459 1.00 51.50 ? 1004 NAG A N2 1 HETATM 7328 O O3 . NAG F 4 . ? 40.581 -1.370 37.149 1.00 56.56 ? 1004 NAG A O3 1 HETATM 7329 O O4 . NAG F 4 . ? 39.649 -4.111 37.275 1.00 82.54 ? 1004 NAG A O4 1 HETATM 7330 O O5 . NAG F 4 . ? 42.519 -4.148 39.533 1.00 49.64 ? 1004 NAG A O5 1 HETATM 7331 O O6 . NAG F 4 . ? 42.909 -6.202 38.075 1.00 88.37 ? 1004 NAG A O6 1 HETATM 7332 O O7 . NAG F 4 . ? 43.985 0.402 38.773 1.00 52.31 ? 1004 NAG A O7 1 HETATM 7333 C C1 . NAG G 4 . ? 39.631 -4.841 36.035 1.00 85.11 ? 1005 NAG A C1 1 HETATM 7334 C C2 . NAG G 4 . ? 38.334 -5.651 36.028 1.00 98.64 ? 1005 NAG A C2 1 HETATM 7335 C C3 . NAG G 4 . ? 37.587 -5.815 34.688 1.00 101.21 ? 1005 NAG A C3 1 HETATM 7336 C C4 . NAG G 4 . ? 38.315 -5.389 33.408 1.00 126.88 ? 1005 NAG A C4 1 HETATM 7337 C C5 . NAG G 4 . ? 39.722 -4.838 33.714 1.00 132.05 ? 1005 NAG A C5 1 HETATM 7338 C C6 . NAG G 4 . ? 40.280 -3.975 32.589 1.00 151.95 ? 1005 NAG A C6 1 HETATM 7339 C C7 . NAG G 4 . ? 38.289 -7.329 37.795 1.00 120.17 ? 1005 NAG A C7 1 HETATM 7340 C C8 . NAG G 4 . ? 38.780 -8.668 38.268 1.00 113.67 ? 1005 NAG A C8 1 HETATM 7341 N N2 . NAG G 4 . ? 38.711 -6.931 36.597 1.00 100.82 ? 1005 NAG A N2 1 HETATM 7342 O O3 . NAG G 4 . ? 36.328 -5.170 34.739 1.00 95.23 ? 1005 NAG A O3 1 HETATM 7343 O O4 . NAG G 4 . ? 38.308 -6.545 32.573 1.00 153.37 ? 1005 NAG A O4 1 HETATM 7344 O O5 . NAG G 4 . ? 39.734 -4.033 34.890 1.00 103.47 ? 1005 NAG A O5 1 HETATM 7345 O O6 . NAG G 4 . ? 39.803 -2.659 32.763 1.00 139.32 ? 1005 NAG A O6 1 HETATM 7346 O O7 . NAG G 4 . ? 37.520 -6.668 38.492 1.00 128.59 ? 1005 NAG A O7 1 HETATM 7347 C C1 . NAG H 4 . ? 57.054 12.665 59.741 1.00 41.42 ? 1006 NAG A C1 1 HETATM 7348 C C2 . NAG H 4 . ? 57.871 11.424 60.115 1.00 41.26 ? 1006 NAG A C2 1 HETATM 7349 C C3 . NAG H 4 . ? 58.462 11.610 61.515 1.00 42.26 ? 1006 NAG A C3 1 HETATM 7350 C C4 . NAG H 4 . ? 59.262 12.908 61.573 1.00 43.93 ? 1006 NAG A C4 1 HETATM 7351 C C5 . NAG H 4 . ? 58.338 14.038 61.114 1.00 42.18 ? 1006 NAG A C5 1 HETATM 7352 C C6 . NAG H 4 . ? 58.914 15.428 61.345 1.00 55.08 ? 1006 NAG A C6 1 HETATM 7353 C C7 . NAG H 4 . ? 57.466 9.158 59.429 1.00 52.23 ? 1006 NAG A C7 1 HETATM 7354 C C8 . NAG H 4 . ? 56.585 7.961 59.356 1.00 58.86 ? 1006 NAG A C8 1 HETATM 7355 N N2 . NAG H 4 . ? 57.014 10.250 60.051 1.00 33.66 ? 1006 NAG A N2 1 HETATM 7356 O O3 . NAG H 4 . ? 59.338 10.558 61.785 1.00 39.57 ? 1006 NAG A O3 1 HETATM 7357 O O4 . NAG H 4 . ? 59.623 13.138 62.921 1.00 41.28 ? 1006 NAG A O4 1 HETATM 7358 O O5 . NAG H 4 . ? 57.908 13.822 59.778 1.00 34.09 ? 1006 NAG A O5 1 HETATM 7359 O O6 . NAG H 4 . ? 59.913 15.625 60.397 1.00 54.47 ? 1006 NAG A O6 1 HETATM 7360 O O7 . NAG H 4 . ? 58.565 9.082 58.903 1.00 29.58 ? 1006 NAG A O7 1 HETATM 7361 C C1 . NAG I 4 . ? 60.994 12.874 63.206 1.00 55.95 ? 1007 NAG A C1 1 HETATM 7362 C C2 . NAG I 4 . ? 61.432 13.608 64.482 1.00 71.93 ? 1007 NAG A C2 1 HETATM 7363 C C3 . NAG I 4 . ? 62.828 13.172 64.940 1.00 76.25 ? 1007 NAG A C3 1 HETATM 7364 C C4 . NAG I 4 . ? 62.916 11.657 64.991 1.00 77.56 ? 1007 NAG A C4 1 HETATM 7365 C C5 . NAG I 4 . ? 62.533 11.165 63.600 1.00 57.31 ? 1007 NAG A C5 1 HETATM 7366 C C6 . NAG I 4 . ? 62.705 9.664 63.449 1.00 64.43 ? 1007 NAG A C6 1 HETATM 7367 C C7 . NAG I 4 . ? 60.371 15.766 64.787 1.00 59.03 ? 1007 NAG A C7 1 HETATM 7368 C C8 . NAG I 4 . ? 60.348 17.247 64.534 1.00 79.32 ? 1007 NAG A C8 1 HETATM 7369 N N2 . NAG I 4 . ? 61.368 15.050 64.280 1.00 59.77 ? 1007 NAG A N2 1 HETATM 7370 O O3 . NAG I 4 . ? 63.082 13.660 66.224 1.00 74.61 ? 1007 NAG A O3 1 HETATM 7371 O O4 . NAG I 4 . ? 64.212 11.242 65.384 1.00 91.91 ? 1007 NAG A O4 1 HETATM 7372 O O5 . NAG I 4 . ? 61.161 11.493 63.359 1.00 54.75 ? 1007 NAG A O5 1 HETATM 7373 O O6 . NAG I 4 . ? 61.637 9.052 64.132 1.00 77.10 ? 1007 NAG A O6 1 HETATM 7374 O O7 . NAG I 4 . ? 59.491 15.239 65.449 1.00 49.68 ? 1007 NAG A O7 1 HETATM 7375 C C1 . NAG J 4 . ? 46.499 24.114 33.920 1.00 71.97 ? 1008 NAG A C1 1 HETATM 7376 C C2 . NAG J 4 . ? 45.576 25.257 33.420 1.00 79.87 ? 1008 NAG A C2 1 HETATM 7377 C C3 . NAG J 4 . ? 44.518 24.530 32.584 1.00 99.85 ? 1008 NAG A C3 1 HETATM 7378 C C4 . NAG J 4 . ? 45.203 23.771 31.437 1.00 104.88 ? 1008 NAG A C4 1 HETATM 7379 C C5 . NAG J 4 . ? 46.339 22.878 31.912 1.00 51.84 ? 1008 NAG A C5 1 HETATM 7380 C C6 . NAG J 4 . ? 47.170 22.282 30.778 1.00 66.45 ? 1008 NAG A C6 1 HETATM 7381 C C7 . NAG J 4 . ? 45.397 26.992 35.172 1.00 49.81 ? 1008 NAG A C7 1 HETATM 7382 C C8 . NAG J 4 . ? 44.667 27.548 36.362 1.00 61.02 ? 1008 NAG A C8 1 HETATM 7383 N N2 . NAG J 4 . ? 44.923 25.889 34.580 1.00 76.12 ? 1008 NAG A N2 1 HETATM 7384 O O3 . NAG J 4 . ? 43.558 25.440 32.076 1.00 96.81 ? 1008 NAG A O3 1 HETATM 7385 O O4 . NAG J 4 . ? 44.212 22.931 30.896 1.00 114.22 ? 1008 NAG A O4 1 HETATM 7386 O O5 . NAG J 4 . ? 47.190 23.546 32.821 1.00 77.25 ? 1008 NAG A O5 1 HETATM 7387 O O6 . NAG J 4 . ? 47.522 23.209 29.765 1.00 108.06 ? 1008 NAG A O6 1 HETATM 7388 O O7 . NAG J 4 . ? 46.410 27.554 34.801 1.00 67.01 ? 1008 NAG A O7 1 HETATM 7389 C C1 . NAG K 4 . ? 43.906 23.214 29.530 1.00 106.75 ? 1009 NAG A C1 1 HETATM 7390 C C2 . NAG K 4 . ? 43.025 22.042 29.116 1.00 107.49 ? 1009 NAG A C2 1 HETATM 7391 C C3 . NAG K 4 . ? 42.350 22.294 27.770 1.00 188.54 ? 1009 NAG A C3 1 HETATM 7392 C C4 . NAG K 4 . ? 41.778 23.712 27.668 1.00 125.29 ? 1009 NAG A C4 1 HETATM 7393 C C5 . NAG K 4 . ? 42.803 24.765 28.086 1.00 94.69 ? 1009 NAG A C5 1 HETATM 7394 C C6 . NAG K 4 . ? 42.175 26.158 28.111 1.00 65.69 ? 1009 NAG A C6 1 HETATM 7395 C C7 . NAG K 4 . ? 43.667 19.844 30.048 1.00 100.85 ? 1009 NAG A C7 1 HETATM 7396 C C8 . NAG K 4 . ? 44.538 18.630 29.896 1.00 101.28 ? 1009 NAG A C8 1 HETATM 7397 N N2 . NAG K 4 . ? 43.795 20.803 29.116 1.00 114.81 ? 1009 NAG A N2 1 HETATM 7398 O O3 . NAG K 4 . ? 41.294 21.368 27.658 1.00 163.27 ? 1009 NAG A O3 1 HETATM 7399 O O4 . NAG K 4 . ? 41.325 23.963 26.355 1.00 120.49 ? 1009 NAG A O4 1 HETATM 7400 O O5 . NAG K 4 . ? 43.251 24.454 29.389 1.00 103.98 ? 1009 NAG A O5 1 HETATM 7401 O O6 . NAG K 4 . ? 43.126 27.141 28.196 1.00 92.98 ? 1009 NAG A O6 1 HETATM 7402 O O7 . NAG K 4 . ? 42.893 19.898 31.006 1.00 99.26 ? 1009 NAG A O7 1 HETATM 7403 C C1 . NAG L 4 . ? 31.900 41.754 55.933 1.00 65.10 ? 1010 NAG A C1 1 HETATM 7404 C C2 . NAG L 4 . ? 30.499 42.054 55.400 1.00 74.78 ? 1010 NAG A C2 1 HETATM 7405 C C3 . NAG L 4 . ? 30.365 43.485 54.873 1.00 93.77 ? 1010 NAG A C3 1 HETATM 7406 C C4 . NAG L 4 . ? 30.810 44.494 55.912 1.00 112.50 ? 1010 NAG A C4 1 HETATM 7407 C C5 . NAG L 4 . ? 32.195 44.067 56.392 1.00 70.30 ? 1010 NAG A C5 1 HETATM 7408 C C6 . NAG L 4 . ? 32.834 44.983 57.424 1.00 56.32 ? 1010 NAG A C6 1 HETATM 7409 C C7 . NAG L 4 . ? 28.933 40.467 54.494 1.00 79.21 ? 1010 NAG A C7 1 HETATM 7410 C C8 . NAG L 4 . ? 28.566 39.581 53.341 1.00 84.69 ? 1010 NAG A C8 1 HETATM 7411 N N2 . NAG L 4 . ? 30.065 41.151 54.360 1.00 69.82 ? 1010 NAG A N2 1 HETATM 7412 O O3 . NAG L 4 . ? 29.036 43.769 54.514 1.00 66.95 ? 1010 NAG A O3 1 HETATM 7413 O O4 . NAG L 4 . ? 31.011 45.671 55.236 1.00 119.71 ? 1010 NAG A O4 1 HETATM 7414 O O5 . NAG L 4 . ? 32.139 42.755 56.906 1.00 59.12 ? 1010 NAG A O5 1 HETATM 7415 O O6 . NAG L 4 . ? 32.037 45.009 58.585 1.00 72.02 ? 1010 NAG A O6 1 HETATM 7416 O O7 . NAG L 4 . ? 28.219 40.482 55.509 1.00 74.17 ? 1010 NAG A O7 1 HETATM 7417 C C1 . NAG M 4 . ? 29.910 46.589 55.077 1.00 117.79 ? 1011 NAG A C1 1 HETATM 7418 C C2 . NAG M 4 . ? 30.517 47.964 54.834 1.00 85.18 ? 1011 NAG A C2 1 HETATM 7419 C C3 . NAG M 4 . ? 29.428 49.041 54.649 1.00 102.97 ? 1011 NAG A C3 1 HETATM 7420 C C4 . NAG M 4 . ? 28.190 48.620 53.840 1.00 131.14 ? 1011 NAG A C4 1 HETATM 7421 C C5 . NAG M 4 . ? 27.884 47.120 54.017 1.00 110.83 ? 1011 NAG A C5 1 HETATM 7422 C C6 . NAG M 4 . ? 26.860 46.602 53.015 1.00 118.98 ? 1011 NAG A C6 1 HETATM 7423 C C7 . NAG M 4 . ? 32.758 48.330 55.844 1.00 80.02 ? 1011 NAG A C7 1 HETATM 7424 C C8 . NAG M 4 . ? 33.505 48.634 57.111 1.00 79.85 ? 1011 NAG A C8 1 HETATM 7425 N N2 . NAG M 4 . ? 31.418 48.258 55.951 1.00 60.13 ? 1011 NAG A N2 1 HETATM 7426 O O3 . NAG M 4 . ? 29.969 50.209 54.067 1.00 92.06 ? 1011 NAG A O3 1 HETATM 7427 O O4 . NAG M 4 . ? 27.062 49.297 54.366 1.00 145.18 ? 1011 NAG A O4 1 HETATM 7428 O O5 . NAG M 4 . ? 29.054 46.316 53.988 1.00 114.21 ? 1011 NAG A O5 1 HETATM 7429 O O6 . NAG M 4 . ? 27.241 46.898 51.691 1.00 118.21 ? 1011 NAG A O6 1 HETATM 7430 O O7 . NAG M 4 . ? 33.390 48.136 54.796 1.00 82.65 ? 1011 NAG A O7 1 HETATM 7431 C C1 . NAG N 4 . ? 42.291 29.222 81.120 1.00 78.02 ? 1012 NAG A C1 1 HETATM 7432 C C2 . NAG N 4 . ? 42.817 30.465 80.457 1.00 169.87 ? 1012 NAG A C2 1 HETATM 7433 C C3 . NAG N 4 . ? 43.556 31.334 81.501 1.00 168.90 ? 1012 NAG A C3 1 HETATM 7434 C C4 . NAG N 4 . ? 42.829 31.499 82.833 1.00 60.94 ? 1012 NAG A C4 1 HETATM 7435 C C5 . NAG N 4 . ? 42.321 30.138 83.281 1.00 171.97 ? 1012 NAG A C5 1 HETATM 7436 C C6 . NAG N 4 . ? 41.654 30.088 84.668 1.00 169.20 ? 1012 NAG A C6 1 HETATM 7437 C C7 . NAG N 4 . ? 43.329 30.055 78.069 1.00 85.21 ? 1012 NAG A C7 1 HETATM 7438 C C8 . NAG N 4 . ? 44.389 29.575 77.140 1.00 86.28 ? 1012 NAG A C8 1 HETATM 7439 N N2 . NAG N 4 . ? 43.665 30.059 79.358 1.00 112.89 ? 1012 NAG A N2 1 HETATM 7440 O O3 . NAG N 4 . ? 43.760 32.654 81.056 1.00 165.03 ? 1012 NAG A O3 1 HETATM 7441 O O4 . NAG N 4 . ? 43.786 31.994 83.766 1.00 56.21 ? 1012 NAG A O4 1 HETATM 7442 O O5 . NAG N 4 . ? 41.496 29.646 82.228 1.00 179.76 ? 1012 NAG A O5 1 HETATM 7443 O O6 . NAG N 4 . ? 40.523 30.936 84.784 1.00 132.53 ? 1012 NAG A O6 1 HETATM 7444 O O7 . NAG N 4 . ? 42.261 30.396 77.646 1.00 66.99 ? 1012 NAG A O7 1 HETATM 7445 C C1 . NAG O 4 . ? 43.308 33.111 84.504 1.00 88.16 ? 1013 NAG A C1 1 HETATM 7446 C C2 . NAG O 4 . ? 44.171 33.256 85.764 1.00 87.60 ? 1013 NAG A C2 1 HETATM 7447 C C3 . NAG O 4 . ? 43.774 34.499 86.522 1.00 94.36 ? 1013 NAG A C3 1 HETATM 7448 C C4 . NAG O 4 . ? 43.963 35.671 85.582 1.00 110.94 ? 1013 NAG A C4 1 HETATM 7449 C C5 . NAG O 4 . ? 43.133 35.477 84.307 1.00 89.27 ? 1013 NAG A C5 1 HETATM 7450 C C6 . NAG O 4 . ? 43.330 36.560 83.258 1.00 105.75 ? 1013 NAG A C6 1 HETATM 7451 C C7 . NAG O 4 . ? 45.022 31.230 86.716 1.00 78.94 ? 1013 NAG A C7 1 HETATM 7452 C C8 . NAG O 4 . ? 44.798 30.085 87.630 1.00 56.84 ? 1013 NAG A C8 1 HETATM 7453 N N2 . NAG O 4 . ? 44.067 32.125 86.647 1.00 88.75 ? 1013 NAG A N2 1 HETATM 7454 O O3 . NAG O 4 . ? 44.604 34.648 87.675 1.00 81.42 ? 1013 NAG A O3 1 HETATM 7455 O O4 . NAG O 4 . ? 43.562 36.875 86.229 1.00 111.54 ? 1013 NAG A O4 1 HETATM 7456 O O5 . NAG O 4 . ? 43.466 34.249 83.683 1.00 91.54 ? 1013 NAG A O5 1 HETATM 7457 O O6 . NAG O 4 . ? 44.040 37.684 83.787 1.00 109.78 ? 1013 NAG A O6 1 HETATM 7458 O O7 . NAG O 4 . ? 46.033 31.321 86.063 1.00 138.72 ? 1013 NAG A O7 1 HETATM 7459 C C1 . NAG P 4 . ? 42.992 6.221 74.042 1.00 37.49 ? 1014 NAG A C1 1 HETATM 7460 C C2 . NAG P 4 . ? 44.450 5.886 73.834 1.00 37.14 ? 1014 NAG A C2 1 HETATM 7461 C C3 . NAG P 4 . ? 45.213 5.587 75.126 1.00 38.46 ? 1014 NAG A C3 1 HETATM 7462 C C4 . NAG P 4 . ? 45.084 6.645 76.218 1.00 42.90 ? 1014 NAG A C4 1 HETATM 7463 C C5 . NAG P 4 . ? 43.583 6.904 76.351 1.00 44.79 ? 1014 NAG A C5 1 HETATM 7464 C C6 . NAG P 4 . ? 43.335 8.079 77.296 1.00 44.36 ? 1014 NAG A C6 1 HETATM 7465 C C7 . NAG P 4 . ? 45.180 4.696 71.911 1.00 39.29 ? 1014 NAG A C7 1 HETATM 7466 C C8 . NAG P 4 . ? 45.096 3.471 71.055 1.00 43.11 ? 1014 NAG A C8 1 HETATM 7467 N N2 . NAG P 4 . ? 44.416 4.725 72.991 1.00 42.78 ? 1014 NAG A N2 1 HETATM 7468 O O3 . NAG P 4 . ? 46.585 5.376 74.832 1.00 51.81 ? 1014 NAG A O3 1 HETATM 7469 O O4 . NAG P 4 . ? 45.719 6.164 77.409 1.00 50.85 ? 1014 NAG A O4 1 HETATM 7470 O O5 . NAG P 4 . ? 42.994 7.210 75.081 1.00 34.48 ? 1014 NAG A O5 1 HETATM 7471 O O6 . NAG P 4 . ? 41.976 8.192 77.633 1.00 36.90 ? 1014 NAG A O6 1 HETATM 7472 O O7 . NAG P 4 . ? 45.947 5.627 71.638 1.00 46.98 ? 1014 NAG A O7 1 HETATM 7473 C C1 . NAG Q 4 . ? 46.672 7.071 78.073 1.00 64.80 ? 1015 NAG A C1 1 HETATM 7474 C C2 . NAG Q 4 . ? 46.912 6.701 79.563 1.00 72.35 ? 1015 NAG A C2 1 HETATM 7475 C C3 . NAG Q 4 . ? 47.998 7.526 80.287 1.00 65.40 ? 1015 NAG A C3 1 HETATM 7476 C C4 . NAG Q 4 . ? 49.231 7.751 79.400 1.00 89.88 ? 1015 NAG A C4 1 HETATM 7477 C C5 . NAG Q 4 . ? 48.705 8.261 78.058 1.00 78.45 ? 1015 NAG A C5 1 HETATM 7478 C C6 . NAG Q 4 . ? 49.763 8.932 77.177 1.00 90.05 ? 1015 NAG A C6 1 HETATM 7479 C C7 . NAG Q 4 . ? 44.887 5.664 80.435 1.00 151.11 ? 1015 NAG A C7 1 HETATM 7480 C C8 . NAG Q 4 . ? 45.414 4.337 80.007 1.00 74.51 ? 1015 NAG A C8 1 HETATM 7481 N N2 . NAG Q 4 . ? 45.624 6.743 80.245 1.00 69.49 ? 1015 NAG A N2 1 HETATM 7482 O O3 . NAG Q 4 . ? 48.391 6.854 81.450 1.00 77.96 ? 1015 NAG A O3 1 HETATM 7483 O O4 . NAG Q 4 . ? 50.149 8.652 80.003 1.00 85.03 ? 1015 NAG A O4 1 HETATM 7484 O O5 . NAG Q 4 . ? 47.943 7.210 77.439 1.00 54.04 ? 1015 NAG A O5 1 HETATM 7485 O O6 . NAG Q 4 . ? 50.054 8.136 76.057 1.00 99.43 ? 1015 NAG A O6 1 HETATM 7486 O O7 . NAG Q 4 . ? 43.793 5.718 80.967 1.00 130.68 ? 1015 NAG A O7 1 HETATM 7487 C C1 . NAG R 4 . ? -2.028 14.474 94.979 1.00 160.86 ? 1016 NAG A C1 1 HETATM 7488 C C2 . NAG R 4 . ? -3.285 13.732 94.523 1.00 136.82 ? 1016 NAG A C2 1 HETATM 7489 C C3 . NAG R 4 . ? -4.045 13.284 95.774 1.00 114.59 ? 1016 NAG A C3 1 HETATM 7490 C C4 . NAG R 4 . ? -3.156 12.466 96.728 1.00 90.49 ? 1016 NAG A C4 1 HETATM 7491 C C5 . NAG R 4 . ? -1.823 13.205 96.909 1.00 87.44 ? 1016 NAG A C5 1 HETATM 7492 C C6 . NAG R 4 . ? -0.881 12.471 97.877 1.00 101.52 ? 1016 NAG A C6 1 HETATM 7493 C C7 . NAG R 4 . ? -4.123 14.598 92.288 1.00 115.79 ? 1016 NAG A C7 1 HETATM 7494 C C8 . NAG R 4 . ? -3.153 13.839 91.412 1.00 111.78 ? 1016 NAG A C8 1 HETATM 7495 N N2 . NAG R 4 . ? -4.134 14.524 93.633 1.00 117.54 ? 1016 NAG A N2 1 HETATM 7496 O O3 . NAG R 4 . ? -5.150 12.515 95.377 1.00 185.34 ? 1016 NAG A O3 1 HETATM 7497 O O4 . NAG R 4 . ? -3.746 12.232 98.011 1.00 112.10 ? 1016 NAG A O4 1 HETATM 7498 O O5 . NAG R 4 . ? -1.280 13.462 95.634 1.00 118.79 ? 1016 NAG A O5 1 HETATM 7499 O O6 . NAG R 4 . ? 0.400 12.181 97.317 1.00 119.85 ? 1016 NAG A O6 1 HETATM 7500 O O7 . NAG R 4 . ? -4.923 15.327 91.722 1.00 157.13 ? 1016 NAG A O7 1 HETATM 7501 C C1 . NAG S 4 . ? 15.060 33.159 78.662 1.00 57.67 ? 1017 NAG A C1 1 HETATM 7502 C C2 . NAG S 4 . ? 16.019 33.713 79.680 1.00 106.94 ? 1017 NAG A C2 1 HETATM 7503 C C3 . NAG S 4 . ? 16.171 35.199 79.369 1.00 130.27 ? 1017 NAG A C3 1 HETATM 7504 C C4 . NAG S 4 . ? 16.705 35.405 77.971 1.00 123.96 ? 1017 NAG A C4 1 HETATM 7505 C C5 . NAG S 4 . ? 15.709 34.758 77.045 1.00 95.56 ? 1017 NAG A C5 1 HETATM 7506 C C6 . NAG S 4 . ? 16.184 34.984 75.625 1.00 98.41 ? 1017 NAG A C6 1 HETATM 7507 C C7 . NAG S 4 . ? 16.095 32.444 81.703 1.00 113.05 ? 1017 NAG A C7 1 HETATM 7508 C C8 . NAG S 4 . ? 15.517 32.100 83.017 1.00 95.55 ? 1017 NAG A C8 1 HETATM 7509 N N2 . NAG S 4 . ? 15.562 33.432 81.018 1.00 107.39 ? 1017 NAG A N2 1 HETATM 7510 O O3 . NAG S 4 . ? 17.061 35.807 80.266 1.00 169.05 ? 1017 NAG A O3 1 HETATM 7511 O O4 . NAG S 4 . ? 16.726 36.787 77.660 1.00 99.74 ? 1017 NAG A O4 1 HETATM 7512 O O5 . NAG S 4 . ? 15.607 33.392 77.394 1.00 56.40 ? 1017 NAG A O5 1 HETATM 7513 O O6 . NAG S 4 . ? 15.210 34.667 74.628 1.00 93.52 ? 1017 NAG A O6 1 HETATM 7514 O O7 . NAG S 4 . ? 17.032 31.813 81.311 1.00 169.76 ? 1017 NAG A O7 1 HETATM 7515 C C1 . NAG T 4 . ? 17.940 37.513 77.913 1.00 102.08 ? 1018 NAG A C1 1 HETATM 7516 C C2 . NAG T 4 . ? 17.532 38.947 77.621 1.00 109.95 ? 1018 NAG A C2 1 HETATM 7517 C C3 . NAG T 4 . ? 18.689 39.908 77.850 1.00 107.18 ? 1018 NAG A C3 1 HETATM 7518 C C4 . NAG T 4 . ? 19.061 39.807 79.309 1.00 112.12 ? 1018 NAG A C4 1 HETATM 7519 C C5 . NAG T 4 . ? 19.424 38.373 79.663 1.00 121.43 ? 1018 NAG A C5 1 HETATM 7520 C C6 . NAG T 4 . ? 19.692 38.229 81.143 1.00 125.90 ? 1018 NAG A C6 1 HETATM 7521 C C7 . NAG T 4 . ? 15.512 39.386 76.506 1.00 90.79 ? 1018 NAG A C7 1 HETATM 7522 C C8 . NAG T 4 . ? 14.849 39.576 75.186 1.00 89.27 ? 1018 NAG A C8 1 HETATM 7523 N N2 . NAG T 4 . ? 16.809 39.104 76.396 1.00 85.99 ? 1018 NAG A N2 1 HETATM 7524 O O3 . NAG T 4 . ? 18.269 41.259 77.650 1.00 115.25 ? 1018 NAG A O3 1 HETATM 7525 O O4 . NAG T 4 . ? 20.119 40.732 79.533 1.00 107.08 ? 1018 NAG A O4 1 HETATM 7526 O O5 . NAG T 4 . ? 18.307 37.536 79.300 1.00 117.13 ? 1018 NAG A O5 1 HETATM 7527 O O6 . NAG T 4 . ? 18.441 38.290 81.834 1.00 137.24 ? 1018 NAG A O6 1 HETATM 7528 O O7 . NAG T 4 . ? 14.890 39.472 77.557 1.00 85.47 ? 1018 NAG A O7 1 HETATM 7529 C C1 . NAG U 4 . ? 3.297 44.504 80.407 1.00 87.08 ? 1019 NAG A C1 1 HETATM 7530 C C2 . NAG U 4 . ? 3.265 45.967 80.881 1.00 117.78 ? 1019 NAG A C2 1 HETATM 7531 C C3 . NAG U 4 . ? 4.643 46.640 81.012 1.00 118.39 ? 1019 NAG A C3 1 HETATM 7532 C C4 . NAG U 4 . ? 5.727 45.742 81.593 1.00 127.60 ? 1019 NAG A C4 1 HETATM 7533 C C5 . NAG U 4 . ? 5.668 44.392 80.883 1.00 89.18 ? 1019 NAG A C5 1 HETATM 7534 C C6 . NAG U 4 . ? 6.730 43.444 81.383 1.00 93.46 ? 1019 NAG A C6 1 HETATM 7535 C C7 . NAG U 4 . ? 1.109 46.918 80.222 1.00 112.11 ? 1019 NAG A C7 1 HETATM 7536 C C8 . NAG U 4 . ? 0.347 47.780 79.258 1.00 91.64 ? 1019 NAG A C8 1 HETATM 7537 N N2 . NAG U 4 . ? 2.419 46.772 80.007 1.00 105.69 ? 1019 NAG A N2 1 HETATM 7538 O O3 . NAG U 4 . ? 4.530 47.750 81.847 1.00 141.89 ? 1019 NAG A O3 1 HETATM 7539 O O4 . NAG U 4 . ? 6.992 46.362 81.443 1.00 118.36 ? 1019 NAG A O4 1 HETATM 7540 O O5 . NAG U 4 . ? 4.369 43.843 81.067 1.00 100.40 ? 1019 NAG A O5 1 HETATM 7541 O O6 . NAG U 4 . ? 6.457 43.073 82.714 1.00 126.10 ? 1019 NAG A O6 1 HETATM 7542 O O7 . NAG U 4 . ? 0.517 46.389 81.165 1.00 100.46 ? 1019 NAG A O7 1 HETATM 7543 S S . SO4 V 5 . ? 21.523 28.417 75.920 1.00 56.20 ? 1020 SO4 A S 1 HETATM 7544 O O1 . SO4 V 5 . ? 22.950 27.938 75.849 1.00 65.45 ? 1020 SO4 A O1 1 HETATM 7545 O O2 . SO4 V 5 . ? 20.730 28.268 74.628 1.00 51.90 ? 1020 SO4 A O2 1 HETATM 7546 O O3 . SO4 V 5 . ? 20.762 27.659 76.981 1.00 68.54 ? 1020 SO4 A O3 1 HETATM 7547 O O4 . SO4 V 5 . ? 21.505 29.865 76.322 1.00 77.49 ? 1020 SO4 A O4 1 HETATM 7548 S S . SO4 W 5 . ? -3.672 33.198 30.282 1.00 64.80 ? 1021 SO4 A S 1 HETATM 7549 O O1 . SO4 W 5 . ? -2.681 33.598 29.231 1.00 70.27 ? 1021 SO4 A O1 1 HETATM 7550 O O2 . SO4 W 5 . ? -4.941 32.722 29.643 1.00 85.77 ? 1021 SO4 A O2 1 HETATM 7551 O O3 . SO4 W 5 . ? -3.100 32.094 31.131 1.00 73.49 ? 1021 SO4 A O3 1 HETATM 7552 O O4 . SO4 W 5 . ? -3.992 34.444 31.070 1.00 73.03 ? 1021 SO4 A O4 1 HETATM 7553 S S . SO4 X 5 . ? 25.980 23.613 45.920 1.00 62.99 ? 1022 SO4 A S 1 HETATM 7554 O O1 . SO4 X 5 . ? 26.947 23.503 44.760 1.00 81.63 ? 1022 SO4 A O1 1 HETATM 7555 O O2 . SO4 X 5 . ? 25.069 24.782 45.619 1.00 81.18 ? 1022 SO4 A O2 1 HETATM 7556 O O3 . SO4 X 5 . ? 26.722 23.820 47.176 1.00 65.82 ? 1022 SO4 A O3 1 HETATM 7557 O O4 . SO4 X 5 . ? 25.167 22.341 46.060 1.00 86.24 ? 1022 SO4 A O4 1 HETATM 7558 S S . SO4 Y 5 . ? 53.350 7.852 43.979 1.00 58.84 ? 1023 SO4 A S 1 HETATM 7559 O O1 . SO4 Y 5 . ? 52.990 7.211 42.642 1.00 56.90 ? 1023 SO4 A O1 1 HETATM 7560 O O2 . SO4 Y 5 . ? 53.034 9.300 43.888 1.00 76.76 ? 1023 SO4 A O2 1 HETATM 7561 O O3 . SO4 Y 5 . ? 54.801 7.755 44.423 1.00 57.31 ? 1023 SO4 A O3 1 HETATM 7562 O O4 . SO4 Y 5 . ? 52.519 7.199 45.023 1.00 73.13 ? 1023 SO4 A O4 1 HETATM 7563 S S . SO4 Z 5 . ? 35.981 38.796 68.822 1.00 60.17 ? 1024 SO4 A S 1 HETATM 7564 O O1 . SO4 Z 5 . ? 37.210 38.511 67.984 1.00 63.53 ? 1024 SO4 A O1 1 HETATM 7565 O O2 . SO4 Z 5 . ? 34.720 38.708 67.991 1.00 67.33 ? 1024 SO4 A O2 1 HETATM 7566 O O3 . SO4 Z 5 . ? 35.962 37.887 70.022 1.00 75.65 ? 1024 SO4 A O3 1 HETATM 7567 O O4 . SO4 Z 5 . ? 36.077 40.225 69.304 1.00 91.40 ? 1024 SO4 A O4 1 HETATM 7568 S S . SO4 AA 5 . ? 21.326 14.325 60.847 1.00 64.81 ? 1025 SO4 A S 1 HETATM 7569 O O1 . SO4 AA 5 . ? 22.294 15.245 60.133 1.00 71.10 ? 1025 SO4 A O1 1 HETATM 7570 O O2 . SO4 AA 5 . ? 20.380 13.685 59.880 1.00 87.70 ? 1025 SO4 A O2 1 HETATM 7571 O O3 . SO4 AA 5 . ? 22.090 13.243 61.528 1.00 72.65 ? 1025 SO4 A O3 1 HETATM 7572 O O4 . SO4 AA 5 . ? 20.517 15.178 61.790 1.00 74.39 ? 1025 SO4 A O4 1 HETATM 7573 S S . SO4 BA 5 . ? 12.151 31.842 57.976 1.00 69.78 ? 1026 SO4 A S 1 HETATM 7574 O O1 . SO4 BA 5 . ? 12.586 32.008 56.536 1.00 64.08 ? 1026 SO4 A O1 1 HETATM 7575 O O2 . SO4 BA 5 . ? 10.663 31.443 58.127 1.00 64.30 ? 1026 SO4 A O2 1 HETATM 7576 O O3 . SO4 BA 5 . ? 13.052 30.831 58.633 1.00 81.63 ? 1026 SO4 A O3 1 HETATM 7577 O O4 . SO4 BA 5 . ? 12.382 33.091 58.733 1.00 81.63 ? 1026 SO4 A O4 1 HETATM 7578 S S . SO4 CA 5 . ? 17.421 10.976 60.758 1.00 60.30 ? 1027 SO4 A S 1 HETATM 7579 O O1 . SO4 CA 5 . ? 17.786 12.304 60.141 1.00 76.84 ? 1027 SO4 A O1 1 HETATM 7580 O O2 . SO4 CA 5 . ? 17.771 9.908 59.742 1.00 75.24 ? 1027 SO4 A O2 1 HETATM 7581 O O3 . SO4 CA 5 . ? 15.951 10.913 61.221 1.00 72.58 ? 1027 SO4 A O3 1 HETATM 7582 O O4 . SO4 CA 5 . ? 18.213 10.688 61.949 1.00 66.31 ? 1027 SO4 A O4 1 HETATM 7583 S S . SO4 DA 5 . ? 33.838 9.590 66.979 1.00 56.52 ? 1028 SO4 A S 1 HETATM 7584 O O1 . SO4 DA 5 . ? 33.915 9.636 65.517 1.00 65.84 ? 1028 SO4 A O1 1 HETATM 7585 O O2 . SO4 DA 5 . ? 35.318 9.463 67.192 1.00 40.18 ? 1028 SO4 A O2 1 HETATM 7586 O O3 . SO4 DA 5 . ? 33.028 8.481 67.584 1.00 60.41 ? 1028 SO4 A O3 1 HETATM 7587 O O4 . SO4 DA 5 . ? 33.041 10.810 67.370 1.00 41.99 ? 1028 SO4 A O4 1 HETATM 7588 S S . SO4 EA 5 . ? 16.282 30.747 51.601 1.00 64.43 ? 1029 SO4 A S 1 HETATM 7589 O O1 . SO4 EA 5 . ? 17.462 30.885 50.794 1.00 76.59 ? 1029 SO4 A O1 1 HETATM 7590 O O2 . SO4 EA 5 . ? 15.438 29.754 50.971 1.00 79.49 ? 1029 SO4 A O2 1 HETATM 7591 O O3 . SO4 EA 5 . ? 15.594 32.004 51.685 1.00 69.08 ? 1029 SO4 A O3 1 HETATM 7592 O O4 . SO4 EA 5 . ? 16.627 30.256 52.915 1.00 70.94 ? 1029 SO4 A O4 1 HETATM 7593 O O . HOH FA 6 . ? 42.546 18.503 83.288 1.00 34.77 ? 1101 HOH A O 1 HETATM 7594 O O . HOH FA 6 . ? 70.226 -3.977 70.090 1.00 41.22 ? 1102 HOH A O 1 HETATM 7595 O O . HOH FA 6 . ? 35.642 6.828 82.464 1.00 55.33 ? 1103 HOH A O 1 HETATM 7596 O O . HOH FA 6 . ? 44.352 32.648 45.982 1.00 56.84 ? 1104 HOH A O 1 HETATM 7597 O O . HOH FA 6 . ? 2.408 14.647 65.368 1.00 38.80 ? 1105 HOH A O 1 HETATM 7598 O O . HOH FA 6 . ? 5.164 15.060 65.255 1.00 36.46 ? 1106 HOH A O 1 HETATM 7599 O O . HOH FA 6 . ? 39.885 2.973 73.281 1.00 56.55 ? 1107 HOH A O 1 HETATM 7600 O O . HOH FA 6 . ? 35.254 2.212 73.106 1.00 44.45 ? 1108 HOH A O 1 HETATM 7601 O O . HOH FA 6 . ? -2.612 24.936 47.399 1.00 43.44 ? 1109 HOH A O 1 HETATM 7602 O O . HOH FA 6 . ? 50.161 7.972 68.380 1.00 42.33 ? 1110 HOH A O 1 HETATM 7603 O O . HOH FA 6 . ? 27.359 25.943 77.670 1.00 38.08 ? 1111 HOH A O 1 HETATM 7604 O O . HOH FA 6 . ? -1.013 28.391 44.145 1.00 49.89 ? 1112 HOH A O 1 HETATM 7605 O O . HOH FA 6 . ? 39.519 1.529 43.245 1.00 29.81 ? 1113 HOH A O 1 HETATM 7606 O O . HOH FA 6 . ? 35.203 -2.271 58.694 1.00 30.92 ? 1114 HOH A O 1 HETATM 7607 O O . HOH FA 6 . ? 48.183 4.968 68.069 1.00 34.22 ? 1115 HOH A O 1 HETATM 7608 O O . HOH FA 6 . ? 25.867 7.997 68.492 1.00 32.13 ? 1116 HOH A O 1 HETATM 7609 O O . HOH FA 6 . ? 28.752 -2.747 56.349 1.00 36.14 ? 1117 HOH A O 1 HETATM 7610 O O . HOH FA 6 . ? 54.021 11.627 33.033 1.00 48.84 ? 1118 HOH A O 1 HETATM 7611 O O . HOH FA 6 . ? 33.792 -0.889 60.465 1.00 30.77 ? 1119 HOH A O 1 HETATM 7612 O O . HOH FA 6 . ? 52.491 -9.599 45.562 1.00 41.66 ? 1120 HOH A O 1 HETATM 7613 O O . HOH FA 6 . ? 56.456 21.651 49.375 1.00 39.52 ? 1121 HOH A O 1 HETATM 7614 O O . HOH FA 6 . ? 57.836 -1.377 45.882 1.00 39.31 ? 1122 HOH A O 1 HETATM 7615 O O . HOH FA 6 . ? 46.598 29.565 68.389 1.00 50.93 ? 1123 HOH A O 1 HETATM 7616 O O . HOH FA 6 . ? 56.882 21.485 38.027 1.00 36.46 ? 1124 HOH A O 1 HETATM 7617 O O . HOH FA 6 . ? 31.146 15.728 44.068 1.00 48.72 ? 1125 HOH A O 1 HETATM 7618 O O . HOH FA 6 . ? 34.244 28.589 83.780 1.00 42.13 ? 1126 HOH A O 1 HETATM 7619 O O . HOH FA 6 . ? 6.835 3.482 78.103 1.00 46.05 ? 1127 HOH A O 1 HETATM 7620 O O . HOH FA 6 . ? 34.733 14.272 91.449 1.00 47.83 ? 1128 HOH A O 1 HETATM 7621 O O . HOH FA 6 . ? 29.312 39.633 61.062 1.00 55.12 ? 1129 HOH A O 1 HETATM 7622 O O . HOH FA 6 . ? 6.113 4.141 80.778 1.00 42.52 ? 1130 HOH A O 1 HETATM 7623 O O . HOH FA 6 . ? 29.237 17.482 95.080 1.00 46.15 ? 1131 HOH A O 1 HETATM 7624 O O . HOH FA 6 . ? 24.231 26.933 79.967 1.00 38.07 ? 1132 HOH A O 1 HETATM 7625 O O . HOH FA 6 . ? 40.190 -6.200 68.780 1.00 47.98 ? 1133 HOH A O 1 HETATM 7626 O O . HOH FA 6 . ? -15.114 14.807 63.277 1.00 62.81 ? 1134 HOH A O 1 HETATM 7627 O O . HOH FA 6 . ? 10.665 37.551 75.554 1.00 48.15 ? 1135 HOH A O 1 HETATM 7628 O O . HOH FA 6 . ? 56.630 14.519 64.878 1.00 47.07 ? 1136 HOH A O 1 HETATM 7629 O O . HOH FA 6 . ? 17.488 30.410 78.537 1.00 51.72 ? 1137 HOH A O 1 HETATM 7630 O O . HOH FA 6 . ? 31.687 5.750 40.793 1.00 51.89 ? 1138 HOH A O 1 HETATM 7631 O O . HOH FA 6 . ? 3.258 8.527 66.520 1.00 42.51 ? 1139 HOH A O 1 HETATM 7632 O O . HOH FA 6 . ? 39.507 -0.102 41.046 1.00 47.64 ? 1140 HOH A O 1 HETATM 7633 O O . HOH FA 6 . ? 50.576 31.562 65.770 1.00 64.37 ? 1141 HOH A O 1 HETATM 7634 O O . HOH FA 6 . ? 46.291 21.818 72.473 1.00 43.13 ? 1142 HOH A O 1 HETATM 7635 O O . HOH FA 6 . ? 29.426 17.956 35.511 1.00 61.03 ? 1143 HOH A O 1 HETATM 7636 O O . HOH FA 6 . ? 11.604 37.352 69.166 1.00 46.73 ? 1144 HOH A O 1 HETATM 7637 O O . HOH FA 6 . ? 36.960 26.737 39.187 1.00 62.81 ? 1145 HOH A O 1 HETATM 7638 O O . HOH FA 6 . ? 27.813 29.406 88.009 1.00 52.97 ? 1146 HOH A O 1 HETATM 7639 O O . HOH FA 6 . ? 57.942 15.801 53.680 1.00 43.28 ? 1147 HOH A O 1 HETATM 7640 O O . HOH FA 6 . ? 35.070 36.187 47.941 1.00 34.21 ? 1148 HOH A O 1 HETATM 7641 O O . HOH FA 6 . ? 35.654 16.827 49.837 1.00 26.71 ? 1149 HOH A O 1 HETATM 7642 O O . HOH FA 6 . ? 33.942 24.614 90.593 1.00 34.29 ? 1150 HOH A O 1 HETATM 7643 O O . HOH FA 6 . ? 39.757 6.836 47.404 1.00 23.28 ? 1151 HOH A O 1 HETATM 7644 O O . HOH FA 6 . ? 39.079 29.448 57.378 1.00 28.08 ? 1152 HOH A O 1 HETATM 7645 O O . HOH FA 6 . ? 46.407 15.218 37.707 1.00 34.29 ? 1153 HOH A O 1 HETATM 7646 O O . HOH FA 6 . ? 43.031 7.066 63.615 1.00 23.80 ? 1154 HOH A O 1 HETATM 7647 O O . HOH FA 6 . ? 43.799 8.276 70.981 1.00 28.01 ? 1155 HOH A O 1 HETATM 7648 O O . HOH FA 6 . ? 40.433 24.137 61.282 1.00 31.38 ? 1156 HOH A O 1 HETATM 7649 O O . HOH FA 6 . ? 37.282 -3.709 59.748 1.00 25.80 ? 1157 HOH A O 1 HETATM 7650 O O . HOH FA 6 . ? 24.517 40.681 64.910 1.00 34.44 ? 1158 HOH A O 1 HETATM 7651 O O . HOH FA 6 . ? 38.414 7.172 57.938 1.00 24.36 ? 1159 HOH A O 1 HETATM 7652 O O . HOH FA 6 . ? 48.619 17.884 56.273 1.00 24.64 ? 1160 HOH A O 1 HETATM 7653 O O . HOH FA 6 . ? 51.986 9.518 67.214 1.00 33.69 ? 1161 HOH A O 1 HETATM 7654 O O . HOH FA 6 . ? 16.315 8.805 72.553 1.00 27.64 ? 1162 HOH A O 1 HETATM 7655 O O . HOH FA 6 . ? 13.208 23.099 83.249 1.00 34.83 ? 1163 HOH A O 1 HETATM 7656 O O . HOH FA 6 . ? 12.804 28.080 88.331 1.00 42.91 ? 1164 HOH A O 1 HETATM 7657 O O . HOH FA 6 . ? 51.136 16.450 56.781 1.00 23.58 ? 1165 HOH A O 1 HETATM 7658 O O . HOH FA 6 . ? 36.736 13.211 56.614 1.00 24.31 ? 1166 HOH A O 1 HETATM 7659 O O . HOH FA 6 . ? 4.094 25.170 32.276 1.00 44.09 ? 1167 HOH A O 1 HETATM 7660 O O . HOH FA 6 . ? 28.030 33.563 72.345 1.00 32.11 ? 1168 HOH A O 1 HETATM 7661 O O . HOH FA 6 . ? 38.562 14.426 54.103 1.00 21.95 ? 1169 HOH A O 1 HETATM 7662 O O . HOH FA 6 . ? -6.484 18.232 51.757 1.00 44.46 ? 1170 HOH A O 1 HETATM 7663 O O . HOH FA 6 . ? 38.846 3.670 67.688 1.00 25.39 ? 1171 HOH A O 1 HETATM 7664 O O . HOH FA 6 . ? 17.058 38.860 66.325 1.00 53.06 ? 1172 HOH A O 1 HETATM 7665 O O . HOH FA 6 . ? 35.586 15.287 72.811 1.00 27.34 ? 1173 HOH A O 1 HETATM 7666 O O . HOH FA 6 . ? 36.148 -11.415 56.734 1.00 39.08 ? 1174 HOH A O 1 HETATM 7667 O O . HOH FA 6 . ? 50.406 2.893 55.369 1.00 27.70 ? 1175 HOH A O 1 HETATM 7668 O O . HOH FA 6 . ? 40.410 3.405 46.229 1.00 26.06 ? 1176 HOH A O 1 HETATM 7669 O O . HOH FA 6 . ? 37.835 5.653 61.007 1.00 23.01 ? 1177 HOH A O 1 HETATM 7670 O O . HOH FA 6 . ? 47.537 15.440 35.044 1.00 39.54 ? 1178 HOH A O 1 HETATM 7671 O O . HOH FA 6 . ? 37.721 -1.551 62.363 1.00 22.82 ? 1179 HOH A O 1 HETATM 7672 O O . HOH FA 6 . ? 44.261 36.313 67.366 1.00 53.20 ? 1180 HOH A O 1 HETATM 7673 O O . HOH FA 6 . ? 53.243 16.660 65.200 1.00 30.97 ? 1181 HOH A O 1 HETATM 7674 O O . HOH FA 6 . ? 37.041 7.650 44.798 1.00 26.03 ? 1182 HOH A O 1 HETATM 7675 O O . HOH FA 6 . ? 39.709 7.341 62.314 1.00 22.69 ? 1183 HOH A O 1 HETATM 7676 O O . HOH FA 6 . ? 34.467 1.575 54.745 1.00 30.56 ? 1184 HOH A O 1 HETATM 7677 O O . HOH FA 6 . ? 14.777 2.871 76.092 1.00 34.80 ? 1185 HOH A O 1 HETATM 7678 O O . HOH FA 6 . ? 18.570 8.813 75.140 1.00 28.80 ? 1186 HOH A O 1 HETATM 7679 O O . HOH FA 6 . ? 17.841 21.819 75.916 1.00 29.94 ? 1187 HOH A O 1 HETATM 7680 O O . HOH FA 6 . ? 43.352 22.980 46.164 1.00 30.08 ? 1188 HOH A O 1 HETATM 7681 O O . HOH FA 6 . ? 41.513 23.052 83.526 1.00 47.03 ? 1189 HOH A O 1 HETATM 7682 O O . HOH FA 6 . ? 10.887 38.270 66.371 1.00 44.93 ? 1190 HOH A O 1 HETATM 7683 O O . HOH FA 6 . ? 41.980 13.362 66.121 1.00 22.36 ? 1191 HOH A O 1 HETATM 7684 O O . HOH FA 6 . ? 35.824 16.085 53.589 1.00 24.47 ? 1192 HOH A O 1 HETATM 7685 O O . HOH FA 6 . ? 26.045 -4.450 59.326 1.00 40.06 ? 1193 HOH A O 1 HETATM 7686 O O . HOH FA 6 . ? 48.464 20.955 68.105 1.00 34.55 ? 1194 HOH A O 1 HETATM 7687 O O . HOH FA 6 . ? 29.912 36.942 51.140 1.00 35.05 ? 1195 HOH A O 1 HETATM 7688 O O . HOH FA 6 . ? 12.551 33.637 75.611 1.00 43.27 ? 1196 HOH A O 1 HETATM 7689 O O . HOH FA 6 . ? 40.493 11.864 83.750 1.00 44.81 ? 1197 HOH A O 1 HETATM 7690 O O . HOH FA 6 . ? 40.792 -8.127 64.196 1.00 30.62 ? 1198 HOH A O 1 HETATM 7691 O O . HOH FA 6 . ? 9.302 9.881 74.394 1.00 39.02 ? 1199 HOH A O 1 HETATM 7692 O O . HOH FA 6 . ? 25.038 9.023 80.784 1.00 32.73 ? 1200 HOH A O 1 HETATM 7693 O O . HOH FA 6 . ? 36.452 3.017 62.336 1.00 23.21 ? 1201 HOH A O 1 HETATM 7694 O O . HOH FA 6 . ? 36.058 0.369 61.276 1.00 25.26 ? 1202 HOH A O 1 HETATM 7695 O O . HOH FA 6 . ? 7.095 33.686 62.623 1.00 41.28 ? 1203 HOH A O 1 HETATM 7696 O O . HOH FA 6 . ? 20.157 7.248 87.244 1.00 41.16 ? 1204 HOH A O 1 HETATM 7697 O O . HOH FA 6 . ? 44.083 14.736 68.404 1.00 23.88 ? 1205 HOH A O 1 HETATM 7698 O O . HOH FA 6 . ? 35.288 12.541 68.213 1.00 28.40 ? 1206 HOH A O 1 HETATM 7699 O O . HOH FA 6 . ? 45.898 5.110 62.371 1.00 23.73 ? 1207 HOH A O 1 HETATM 7700 O O . HOH FA 6 . ? 8.895 24.895 64.182 1.00 40.29 ? 1208 HOH A O 1 HETATM 7701 O O . HOH FA 6 . ? 51.893 0.954 54.096 1.00 30.22 ? 1209 HOH A O 1 HETATM 7702 O O . HOH FA 6 . ? 21.496 34.350 71.307 1.00 36.17 ? 1210 HOH A O 1 HETATM 7703 O O . HOH FA 6 . ? 40.679 1.703 68.266 1.00 25.49 ? 1211 HOH A O 1 HETATM 7704 O O . HOH FA 6 . ? 30.804 10.227 51.229 1.00 45.79 ? 1212 HOH A O 1 HETATM 7705 O O . HOH FA 6 . ? 1.657 16.630 67.105 1.00 41.68 ? 1213 HOH A O 1 HETATM 7706 O O . HOH FA 6 . ? 31.935 30.991 76.540 1.00 35.79 ? 1214 HOH A O 1 HETATM 7707 O O . HOH FA 6 . ? 33.773 6.567 72.912 1.00 29.53 ? 1215 HOH A O 1 HETATM 7708 O O . HOH FA 6 . ? 29.080 11.782 87.905 1.00 33.80 ? 1216 HOH A O 1 HETATM 7709 O O . HOH FA 6 . ? 32.124 -0.103 53.614 1.00 36.41 ? 1217 HOH A O 1 HETATM 7710 O O . HOH FA 6 . ? 31.574 9.140 84.683 1.00 36.47 ? 1218 HOH A O 1 HETATM 7711 O O . HOH FA 6 . ? 33.905 32.331 74.853 1.00 42.43 ? 1219 HOH A O 1 HETATM 7712 O O . HOH FA 6 . ? 47.444 -7.855 63.755 1.00 31.59 ? 1220 HOH A O 1 HETATM 7713 O O . HOH FA 6 . ? 35.351 15.198 64.838 1.00 24.06 ? 1221 HOH A O 1 HETATM 7714 O O . HOH FA 6 . ? 27.236 30.572 84.437 1.00 36.07 ? 1222 HOH A O 1 HETATM 7715 O O . HOH FA 6 . ? 8.025 21.928 77.309 1.00 41.77 ? 1223 HOH A O 1 HETATM 7716 O O . HOH FA 6 . ? 50.777 2.120 41.817 1.00 38.70 ? 1224 HOH A O 1 HETATM 7717 O O . HOH FA 6 . ? 57.555 -7.057 49.377 1.00 30.88 ? 1225 HOH A O 1 HETATM 7718 O O . HOH FA 6 . ? 6.675 15.186 70.308 1.00 36.54 ? 1226 HOH A O 1 HETATM 7719 O O . HOH FA 6 . ? 4.038 25.710 79.155 1.00 44.23 ? 1227 HOH A O 1 HETATM 7720 O O . HOH FA 6 . ? 46.517 23.770 60.127 1.00 29.11 ? 1228 HOH A O 1 HETATM 7721 O O . HOH FA 6 . ? 33.178 4.025 72.967 1.00 30.01 ? 1229 HOH A O 1 HETATM 7722 O O . HOH FA 6 . ? 13.605 4.566 87.837 1.00 44.07 ? 1230 HOH A O 1 HETATM 7723 O O . HOH FA 6 . ? 2.742 13.373 83.049 1.00 39.36 ? 1231 HOH A O 1 HETATM 7724 O O . HOH FA 6 . ? 30.515 18.151 61.305 1.00 28.65 ? 1232 HOH A O 1 HETATM 7725 O O . HOH FA 6 . ? 30.950 4.510 75.274 1.00 32.34 ? 1233 HOH A O 1 HETATM 7726 O O . HOH FA 6 . ? 22.865 35.913 68.406 1.00 35.83 ? 1234 HOH A O 1 HETATM 7727 O O . HOH FA 6 . ? 43.115 9.200 35.550 1.00 40.70 ? 1235 HOH A O 1 HETATM 7728 O O . HOH FA 6 . ? 10.292 7.022 72.728 1.00 34.05 ? 1236 HOH A O 1 HETATM 7729 O O . HOH FA 6 . ? 39.586 22.992 40.262 1.00 36.71 ? 1237 HOH A O 1 HETATM 7730 O O . HOH FA 6 . ? 31.061 3.726 57.952 1.00 32.42 ? 1238 HOH A O 1 HETATM 7731 O O . HOH FA 6 . ? 47.496 23.209 53.156 1.00 26.48 ? 1239 HOH A O 1 HETATM 7732 O O . HOH FA 6 . ? 5.890 16.288 67.639 1.00 38.13 ? 1240 HOH A O 1 HETATM 7733 O O . HOH FA 6 . ? 30.644 33.538 52.621 1.00 32.75 ? 1241 HOH A O 1 HETATM 7734 O O . HOH FA 6 . ? 17.637 22.995 92.123 1.00 44.77 ? 1242 HOH A O 1 HETATM 7735 O O . HOH FA 6 . ? 29.823 0.791 75.458 1.00 38.93 ? 1243 HOH A O 1 HETATM 7736 O O . HOH FA 6 . ? 44.216 -11.082 48.219 1.00 35.45 ? 1244 HOH A O 1 HETATM 7737 O O . HOH FA 6 . ? 32.914 -2.649 68.547 1.00 30.07 ? 1245 HOH A O 1 HETATM 7738 O O . HOH FA 6 . ? 46.640 -3.594 65.739 1.00 29.14 ? 1246 HOH A O 1 HETATM 7739 O O . HOH FA 6 . ? 53.603 23.971 59.495 1.00 51.51 ? 1247 HOH A O 1 HETATM 7740 O O . HOH FA 6 . ? 38.282 4.609 45.121 1.00 26.17 ? 1248 HOH A O 1 HETATM 7741 O O . HOH FA 6 . ? 17.680 -0.165 74.679 1.00 42.72 ? 1249 HOH A O 1 HETATM 7742 O O . HOH FA 6 . ? 36.534 6.897 37.028 1.00 35.14 ? 1250 HOH A O 1 HETATM 7743 O O . HOH FA 6 . ? 61.073 -14.854 59.760 1.00 40.38 ? 1251 HOH A O 1 HETATM 7744 O O . HOH FA 6 . ? 46.337 9.248 71.416 1.00 30.91 ? 1252 HOH A O 1 HETATM 7745 O O . HOH FA 6 . ? 0.597 32.621 48.497 1.00 51.12 ? 1253 HOH A O 1 HETATM 7746 O O . HOH FA 6 . ? 4.196 10.680 64.576 1.00 44.08 ? 1254 HOH A O 1 HETATM 7747 O O . HOH FA 6 . ? 46.952 -5.122 63.484 1.00 27.29 ? 1255 HOH A O 1 HETATM 7748 O O . HOH FA 6 . ? 4.695 13.922 61.265 1.00 56.26 ? 1256 HOH A O 1 HETATM 7749 O O . HOH FA 6 . ? 31.862 4.568 51.835 1.00 40.44 ? 1257 HOH A O 1 HETATM 7750 O O . HOH FA 6 . ? 6.882 6.426 82.040 1.00 41.94 ? 1258 HOH A O 1 HETATM 7751 O O . HOH FA 6 . ? 22.219 22.139 65.531 1.00 41.75 ? 1259 HOH A O 1 HETATM 7752 O O . HOH FA 6 . ? 62.675 -9.506 55.739 1.00 55.28 ? 1260 HOH A O 1 HETATM 7753 O O . HOH FA 6 . ? 59.689 -7.181 53.592 1.00 34.08 ? 1261 HOH A O 1 HETATM 7754 O O . HOH FA 6 . ? 33.590 6.981 38.997 1.00 42.60 ? 1262 HOH A O 1 HETATM 7755 O O . HOH FA 6 . ? 14.912 26.810 82.321 1.00 37.71 ? 1263 HOH A O 1 HETATM 7756 O O . HOH FA 6 . ? 51.871 -12.451 49.116 1.00 33.05 ? 1264 HOH A O 1 HETATM 7757 O O . HOH FA 6 . ? 41.088 -8.985 66.825 1.00 34.37 ? 1265 HOH A O 1 HETATM 7758 O O . HOH FA 6 . ? 55.296 15.846 54.661 1.00 35.92 ? 1266 HOH A O 1 HETATM 7759 O O . HOH FA 6 . ? 51.472 12.381 33.238 1.00 51.12 ? 1267 HOH A O 1 HETATM 7760 O O . HOH FA 6 . ? 46.064 24.283 71.887 1.00 35.13 ? 1268 HOH A O 1 HETATM 7761 O O . HOH FA 6 . ? 11.054 34.781 68.320 1.00 39.35 ? 1269 HOH A O 1 HETATM 7762 O O . HOH FA 6 . ? 45.162 29.130 55.745 1.00 36.97 ? 1270 HOH A O 1 HETATM 7763 O O . HOH FA 6 . ? 31.370 10.932 86.811 1.00 35.67 ? 1271 HOH A O 1 HETATM 7764 O O . HOH FA 6 . ? 12.518 7.385 66.262 1.00 38.21 ? 1272 HOH A O 1 HETATM 7765 O O . HOH FA 6 . ? 36.728 2.617 44.188 1.00 33.13 ? 1273 HOH A O 1 HETATM 7766 O O . HOH FA 6 . ? 40.048 39.894 51.728 1.00 65.38 ? 1274 HOH A O 1 HETATM 7767 O O . HOH FA 6 . ? 36.287 -4.255 50.578 1.00 37.48 ? 1275 HOH A O 1 HETATM 7768 O O . HOH FA 6 . ? 26.332 15.699 92.051 1.00 34.57 ? 1276 HOH A O 1 HETATM 7769 O O . HOH FA 6 . ? 0.219 15.285 49.173 1.00 46.37 ? 1277 HOH A O 1 HETATM 7770 O O . HOH FA 6 . ? 59.942 -10.747 53.825 1.00 41.49 ? 1278 HOH A O 1 HETATM 7771 O O . HOH FA 6 . ? 40.529 -5.326 51.685 1.00 27.97 ? 1279 HOH A O 1 HETATM 7772 O O . HOH FA 6 . ? 24.126 0.576 64.289 1.00 38.61 ? 1280 HOH A O 1 HETATM 7773 O O . HOH FA 6 . ? 47.573 -9.355 65.898 1.00 31.84 ? 1281 HOH A O 1 HETATM 7774 O O . HOH FA 6 . ? 10.616 14.758 93.199 1.00 42.82 ? 1282 HOH A O 1 HETATM 7775 O O . HOH FA 6 . ? 43.601 30.488 69.843 1.00 33.14 ? 1283 HOH A O 1 HETATM 7776 O O . HOH FA 6 . ? 9.591 -0.162 71.524 1.00 38.58 ? 1284 HOH A O 1 HETATM 7777 O O . HOH FA 6 . ? -4.289 12.886 44.629 1.00 53.04 ? 1285 HOH A O 1 HETATM 7778 O O . HOH FA 6 . ? 3.554 23.377 77.807 1.00 43.36 ? 1286 HOH A O 1 HETATM 7779 O O . HOH FA 6 . ? -4.225 32.115 73.257 1.00 50.63 ? 1287 HOH A O 1 HETATM 7780 O O . HOH FA 6 . ? 40.114 -2.282 67.882 1.00 25.62 ? 1288 HOH A O 1 HETATM 7781 O O . HOH FA 6 . ? 34.252 -2.554 50.859 1.00 39.59 ? 1289 HOH A O 1 HETATM 7782 O O . HOH FA 6 . ? 46.285 13.121 34.801 1.00 33.19 ? 1290 HOH A O 1 HETATM 7783 O O . HOH FA 6 . ? 12.538 34.073 49.698 1.00 41.91 ? 1291 HOH A O 1 HETATM 7784 O O . HOH FA 6 . ? -0.156 19.854 64.999 1.00 51.97 ? 1292 HOH A O 1 HETATM 7785 O O . HOH FA 6 . ? 57.623 14.039 50.046 1.00 36.31 ? 1293 HOH A O 1 HETATM 7786 O O . HOH FA 6 . ? 4.840 5.209 68.729 1.00 39.43 ? 1294 HOH A O 1 HETATM 7787 O O . HOH FA 6 . ? -1.012 14.934 35.483 1.00 49.51 ? 1295 HOH A O 1 HETATM 7788 O O . HOH FA 6 . ? 37.766 36.847 60.295 1.00 44.28 ? 1296 HOH A O 1 HETATM 7789 O O . HOH FA 6 . ? 35.449 -0.056 71.575 1.00 34.77 ? 1297 HOH A O 1 HETATM 7790 O O . HOH FA 6 . ? 45.710 21.132 35.570 1.00 44.36 ? 1298 HOH A O 1 HETATM 7791 O O . HOH FA 6 . ? 12.354 39.994 56.519 1.00 44.87 ? 1299 HOH A O 1 HETATM 7792 O O . HOH FA 6 . ? 33.862 -3.670 56.450 1.00 33.19 ? 1300 HOH A O 1 HETATM 7793 O O . HOH FA 6 . ? 5.559 19.582 29.046 1.00 51.46 ? 1301 HOH A O 1 HETATM 7794 O O . HOH FA 6 . ? 3.542 6.215 78.438 1.00 53.40 ? 1302 HOH A O 1 HETATM 7795 O O . HOH FA 6 . ? 37.806 10.714 83.221 1.00 40.80 ? 1303 HOH A O 1 HETATM 7796 O O . HOH FA 6 . ? 42.967 29.531 39.647 1.00 41.64 ? 1304 HOH A O 1 HETATM 7797 O O . HOH FA 6 . ? 7.391 35.420 52.795 1.00 46.66 ? 1305 HOH A O 1 HETATM 7798 O O . HOH FA 6 . ? 32.961 -8.182 50.699 1.00 53.87 ? 1306 HOH A O 1 HETATM 7799 O O . HOH FA 6 . ? 12.414 36.052 76.786 1.00 51.64 ? 1307 HOH A O 1 HETATM 7800 O O . HOH FA 6 . ? 48.964 -15.679 60.047 1.00 39.34 ? 1308 HOH A O 1 HETATM 7801 O O . HOH FA 6 . ? 29.313 31.943 76.462 1.00 46.30 ? 1309 HOH A O 1 HETATM 7802 O O . HOH FA 6 . ? 61.164 14.499 41.878 1.00 44.71 ? 1310 HOH A O 1 HETATM 7803 O O . HOH FA 6 . ? 10.515 25.482 89.600 1.00 44.21 ? 1311 HOH A O 1 HETATM 7804 O O . HOH FA 6 . ? 3.375 20.968 67.907 1.00 37.96 ? 1312 HOH A O 1 HETATM 7805 O O . HOH FA 6 . ? -7.258 18.463 79.078 1.00 55.56 ? 1313 HOH A O 1 HETATM 7806 O O . HOH FA 6 . ? 38.369 6.646 78.280 1.00 36.06 ? 1314 HOH A O 1 HETATM 7807 O O . HOH FA 6 . ? 29.821 35.771 72.886 1.00 38.15 ? 1315 HOH A O 1 HETATM 7808 O O . HOH FA 6 . ? 32.528 5.895 55.466 1.00 37.40 ? 1316 HOH A O 1 HETATM 7809 O O . HOH FA 6 . ? -3.544 13.941 35.183 1.00 56.44 ? 1317 HOH A O 1 HETATM 7810 O O . HOH FA 6 . ? 5.091 40.541 70.548 1.00 53.38 ? 1318 HOH A O 1 HETATM 7811 O O . HOH FA 6 . ? 53.049 13.387 71.266 1.00 53.62 ? 1319 HOH A O 1 HETATM 7812 O O . HOH FA 6 . ? 32.122 4.562 46.918 1.00 42.14 ? 1320 HOH A O 1 HETATM 7813 O O . HOH FA 6 . ? 31.530 2.740 54.323 1.00 42.88 ? 1321 HOH A O 1 HETATM 7814 O O . HOH FA 6 . ? 28.178 3.039 75.680 1.00 42.14 ? 1322 HOH A O 1 HETATM 7815 O O . HOH FA 6 . ? 24.987 5.712 69.950 1.00 33.16 ? 1323 HOH A O 1 HETATM 7816 O O . HOH FA 6 . ? 45.138 40.089 57.252 1.00 57.73 ? 1324 HOH A O 1 HETATM 7817 O O . HOH FA 6 . ? 47.637 11.684 32.868 1.00 45.98 ? 1325 HOH A O 1 HETATM 7818 O O . HOH FA 6 . ? 38.377 -3.062 69.927 1.00 38.12 ? 1326 HOH A O 1 HETATM 7819 O O . HOH FA 6 . ? 8.316 9.373 83.125 1.00 40.72 ? 1327 HOH A O 1 HETATM 7820 O O . HOH FA 6 . ? 60.454 -5.005 47.606 1.00 48.67 ? 1328 HOH A O 1 HETATM 7821 O O . HOH FA 6 . ? 27.239 5.155 73.651 1.00 38.66 ? 1329 HOH A O 1 HETATM 7822 O O . HOH FA 6 . ? 38.378 5.932 75.647 1.00 37.12 ? 1330 HOH A O 1 HETATM 7823 O O . HOH FA 6 . ? -7.546 18.739 43.867 1.00 46.06 ? 1331 HOH A O 1 HETATM 7824 O O . HOH FA 6 . ? -6.311 12.605 46.420 1.00 49.70 ? 1332 HOH A O 1 HETATM 7825 O O . HOH FA 6 . ? 5.462 35.941 62.000 1.00 45.13 ? 1333 HOH A O 1 HETATM 7826 O O . HOH FA 6 . ? 2.291 25.499 25.654 1.00 52.09 ? 1334 HOH A O 1 HETATM 7827 O O . HOH FA 6 . ? 32.944 10.947 89.135 1.00 44.20 ? 1335 HOH A O 1 HETATM 7828 O O . HOH FA 6 . ? 40.450 -6.856 47.078 1.00 36.45 ? 1336 HOH A O 1 HETATM 7829 O O . HOH FA 6 . ? 16.142 35.825 39.136 1.00 48.54 ? 1337 HOH A O 1 HETATM 7830 O O . HOH FA 6 . ? 51.937 -14.927 48.073 1.00 40.06 ? 1338 HOH A O 1 HETATM 7831 O O . HOH FA 6 . ? 4.057 17.339 48.287 1.00 46.73 ? 1339 HOH A O 1 HETATM 7832 O O . HOH FA 6 . ? -3.395 28.728 87.832 1.00 51.81 ? 1340 HOH A O 1 HETATM 7833 O O . HOH FA 6 . ? 41.087 21.285 38.838 1.00 45.93 ? 1341 HOH A O 1 HETATM 7834 O O . HOH FA 6 . ? 45.256 10.490 79.769 1.00 45.88 ? 1342 HOH A O 1 HETATM 7835 O O . HOH FA 6 . ? 49.212 12.038 71.962 1.00 42.89 ? 1343 HOH A O 1 HETATM 7836 O O . HOH FA 6 . ? 19.514 26.076 87.182 1.00 60.45 ? 1344 HOH A O 1 HETATM 7837 O O . HOH FA 6 . ? -9.284 18.209 52.593 1.00 55.56 ? 1345 HOH A O 1 HETATM 7838 O O . HOH FA 6 . ? 46.975 -12.422 48.042 1.00 45.80 ? 1346 HOH A O 1 HETATM 7839 O O . HOH FA 6 . ? 40.690 28.583 35.309 1.00 59.17 ? 1347 HOH A O 1 HETATM 7840 O O . HOH FA 6 . ? 8.624 44.075 64.793 1.00 54.72 ? 1348 HOH A O 1 HETATM 7841 O O . HOH FA 6 . ? 33.922 -11.631 58.649 1.00 41.64 ? 1349 HOH A O 1 HETATM 7842 O O . HOH FA 6 . ? -2.641 30.815 38.098 1.00 48.21 ? 1350 HOH A O 1 HETATM 7843 O O . HOH FA 6 . ? 59.312 -13.784 52.273 1.00 45.83 ? 1351 HOH A O 1 HETATM 7844 O O . HOH FA 6 . ? 53.106 15.701 67.699 1.00 34.37 ? 1352 HOH A O 1 HETATM 7845 O O . HOH FA 6 . ? 14.022 14.362 62.889 1.00 51.25 ? 1353 HOH A O 1 HETATM 7846 O O . HOH FA 6 . ? 33.944 -4.112 70.621 1.00 39.80 ? 1354 HOH A O 1 HETATM 7847 O O . HOH FA 6 . ? 14.347 20.296 94.068 1.00 42.82 ? 1355 HOH A O 1 HETATM 7848 O O . HOH FA 6 . ? 21.589 24.397 93.345 1.00 49.03 ? 1356 HOH A O 1 HETATM 7849 O O . HOH FA 6 . ? 47.609 8.423 73.866 1.00 48.50 ? 1357 HOH A O 1 HETATM 7850 O O . HOH FA 6 . ? 59.313 -0.144 55.345 1.00 56.82 ? 1358 HOH A O 1 HETATM 7851 O O . HOH FA 6 . ? 5.490 5.905 63.507 1.00 55.26 ? 1359 HOH A O 1 HETATM 7852 O O . HOH FA 6 . ? 24.199 -1.347 65.976 1.00 39.49 ? 1360 HOH A O 1 HETATM 7853 O O . HOH FA 6 . ? 53.161 -14.410 68.202 1.00 46.24 ? 1361 HOH A O 1 HETATM 7854 O O . HOH FA 6 . ? 61.683 -7.893 66.028 1.00 41.17 ? 1362 HOH A O 1 HETATM 7855 O O . HOH FA 6 . ? 65.276 3.068 61.380 1.00 44.60 ? 1363 HOH A O 1 HETATM 7856 O O . HOH FA 6 . ? 18.783 -3.165 77.098 1.00 57.44 ? 1364 HOH A O 1 HETATM 7857 O O . HOH FA 6 . ? 59.757 -7.732 50.761 1.00 45.64 ? 1365 HOH A O 1 HETATM 7858 O O . HOH FA 6 . ? 30.956 10.719 91.696 1.00 59.13 ? 1366 HOH A O 1 HETATM 7859 O O . HOH FA 6 . ? -10.395 13.700 54.464 1.00 52.28 ? 1367 HOH A O 1 HETATM 7860 O O . HOH FA 6 . ? 40.479 -5.038 49.017 1.00 29.64 ? 1368 HOH A O 1 HETATM 7861 O O . HOH FA 6 . ? 48.508 -11.748 46.092 1.00 41.78 ? 1369 HOH A O 1 HETATM 7862 O O . HOH FA 6 . ? 43.378 -9.875 67.953 1.00 40.87 ? 1370 HOH A O 1 HETATM 7863 O O . HOH FA 6 . ? -7.085 16.419 35.463 1.00 51.99 ? 1371 HOH A O 1 HETATM 7864 O O . HOH FA 6 . ? 38.223 -3.713 48.682 1.00 30.68 ? 1372 HOH A O 1 HETATM 7865 O O . HOH FA 6 . ? 59.714 27.740 50.250 1.00 60.05 ? 1373 HOH A O 1 HETATM 7866 O O . HOH FA 6 . ? 46.390 -2.149 39.361 1.00 45.80 ? 1374 HOH A O 1 HETATM 7867 O O . HOH FA 6 . ? 43.903 -7.938 69.791 1.00 33.90 ? 1375 HOH A O 1 HETATM 7868 O O . HOH FA 6 . ? 50.673 -10.598 47.487 1.00 32.26 ? 1376 HOH A O 1 HETATM 7869 O O . HOH FA 6 . ? -3.073 9.466 70.199 1.00 44.86 ? 1377 HOH A O 1 HETATM 7870 O O . HOH FA 6 . ? 12.539 1.245 69.917 1.00 41.10 ? 1378 HOH A O 1 HETATM 7871 O O . HOH FA 6 . ? 2.091 19.193 66.332 1.00 44.03 ? 1379 HOH A O 1 HETATM 7872 O O . HOH FA 6 . ? 64.780 -4.261 58.757 1.00 38.24 ? 1380 HOH A O 1 HETATM 7873 O O . HOH FA 6 . ? 53.572 6.310 37.597 1.00 47.96 ? 1381 HOH A O 1 HETATM 7874 O O . HOH FA 6 . ? 34.695 13.167 89.112 1.00 36.86 ? 1382 HOH A O 1 HETATM 7875 O O . HOH FA 6 . ? 23.973 28.742 82.165 1.00 46.67 ? 1383 HOH A O 1 HETATM 7876 O O . HOH FA 6 . ? 37.240 -4.553 46.267 1.00 43.18 ? 1384 HOH A O 1 HETATM 7877 O O . HOH FA 6 . ? -6.619 19.677 39.354 1.00 50.06 ? 1385 HOH A O 1 HETATM 7878 O O . HOH FA 6 . ? 16.733 38.289 39.759 1.00 48.53 ? 1386 HOH A O 1 HETATM 7879 O O . HOH FA 6 . ? 39.894 -3.011 44.495 1.00 51.93 ? 1387 HOH A O 1 HETATM 7880 O O . HOH FA 6 . ? 41.460 -7.277 70.895 1.00 49.03 ? 1388 HOH A O 1 HETATM 7881 O O . HOH FA 6 . ? -4.349 12.006 67.507 1.00 48.41 ? 1389 HOH A O 1 HETATM 7882 O O . HOH FA 6 . ? 30.327 -5.484 56.007 1.00 46.20 ? 1390 HOH A O 1 HETATM 7883 O O . HOH FA 6 . ? 15.342 20.670 75.624 1.00 45.30 ? 1391 HOH A O 1 HETATM 7884 O O . HOH FA 6 . ? 14.722 33.560 55.387 1.00 64.92 ? 1392 HOH A O 1 HETATM 7885 O O . HOH FA 6 . ? 31.089 12.969 93.310 1.00 50.00 ? 1393 HOH A O 1 HETATM 7886 O O . HOH FA 6 . ? 34.980 5.275 79.940 1.00 45.70 ? 1394 HOH A O 1 HETATM 7887 O O . HOH FA 6 . ? 45.308 27.028 39.980 1.00 43.67 ? 1395 HOH A O 1 HETATM 7888 O O . HOH FA 6 . ? 29.710 40.421 58.475 1.00 49.78 ? 1396 HOH A O 1 HETATM 7889 O O . HOH FA 6 . ? 7.354 6.179 91.339 1.00 53.80 ? 1397 HOH A O 1 HETATM 7890 O O . HOH FA 6 . ? 7.457 23.913 47.024 1.00 45.94 ? 1398 HOH A O 1 HETATM 7891 O O . HOH FA 6 . ? 62.793 7.484 58.709 1.00 50.69 ? 1399 HOH A O 1 HETATM 7892 O O . HOH FA 6 . ? 48.222 -15.452 62.742 1.00 49.04 ? 1400 HOH A O 1 HETATM 7893 O O . HOH FA 6 . ? 51.582 -16.031 59.864 1.00 51.94 ? 1401 HOH A O 1 HETATM 7894 O O . HOH FA 6 . ? 43.948 31.383 72.866 1.00 52.28 ? 1402 HOH A O 1 HETATM 7895 O O . HOH FA 6 . ? 61.645 3.208 51.544 1.00 49.25 ? 1403 HOH A O 1 HETATM 7896 O O . HOH FA 6 . ? 52.790 2.577 39.406 1.00 46.10 ? 1404 HOH A O 1 HETATM 7897 O O . HOH FA 6 . ? 40.635 6.678 79.061 1.00 50.00 ? 1405 HOH A O 1 HETATM 7898 O O . HOH FA 6 . ? 37.421 4.464 79.327 1.00 50.51 ? 1406 HOH A O 1 HETATM 7899 O O . HOH FA 6 . ? 0.434 12.696 55.992 1.00 48.77 ? 1407 HOH A O 1 HETATM 7900 O O . HOH FA 6 . ? 12.829 22.975 95.527 1.00 56.00 ? 1408 HOH A O 1 HETATM 7901 O O . HOH FA 6 . ? 27.515 32.291 74.651 1.00 46.97 ? 1409 HOH A O 1 HETATM 7902 O O . HOH FA 6 . ? 52.644 8.526 35.694 1.00 40.66 ? 1410 HOH A O 1 HETATM 7903 O O . HOH FA 6 . ? 50.936 25.099 48.077 1.00 48.47 ? 1411 HOH A O 1 HETATM 7904 O O . HOH FA 6 . ? 64.003 -5.406 56.122 1.00 51.45 ? 1412 HOH A O 1 HETATM 7905 O O . HOH FA 6 . ? 52.565 28.319 59.214 1.00 57.75 ? 1413 HOH A O 1 HETATM 7906 O O . HOH FA 6 . ? 46.145 -15.176 64.137 1.00 49.19 ? 1414 HOH A O 1 HETATM 7907 O O . HOH FA 6 . ? 48.456 -7.611 44.153 1.00 45.17 ? 1415 HOH A O 1 HETATM 7908 O O . HOH FA 6 . ? 55.636 21.205 29.410 1.00 47.26 ? 1416 HOH A O 1 HETATM 7909 O O . HOH FA 6 . ? 45.110 18.049 82.660 1.00 48.54 ? 1417 HOH A O 1 HETATM 7910 O O . HOH FA 6 . ? 25.717 17.909 93.797 1.00 44.53 ? 1418 HOH A O 1 HETATM 7911 O O . HOH FA 6 . ? 63.246 16.575 35.327 1.00 43.12 ? 1419 HOH A O 1 HETATM 7912 O O . HOH FA 6 . ? 22.440 7.976 69.233 1.00 39.32 ? 1420 HOH A O 1 HETATM 7913 O O . HOH FA 6 . ? 50.515 16.111 68.740 1.00 29.09 ? 1421 HOH A O 1 HETATM 7914 O O . HOH FA 6 . ? 51.906 -6.303 45.197 1.00 41.05 ? 1422 HOH A O 1 HETATM 7915 O O . HOH FA 6 . ? 22.598 5.701 86.630 1.00 48.09 ? 1423 HOH A O 1 HETATM 7916 O O . HOH FA 6 . ? 35.799 50.138 54.489 1.00 48.93 ? 1424 HOH A O 1 HETATM 7917 O O . HOH FA 6 . ? 4.244 18.855 64.037 1.00 52.96 ? 1425 HOH A O 1 HETATM 7918 O O . HOH FA 6 . ? 25.657 -6.854 60.155 1.00 50.94 ? 1426 HOH A O 1 HETATM 7919 O O . HOH FA 6 . ? 32.607 39.776 66.868 1.00 57.20 ? 1427 HOH A O 1 HETATM 7920 O O . HOH FA 6 . ? 33.180 2.717 48.572 1.00 50.05 ? 1428 HOH A O 1 HETATM 7921 O O . HOH FA 6 . ? 65.900 -3.199 68.453 1.00 48.04 ? 1429 HOH A O 1 HETATM 7922 O O . HOH FA 6 . ? 0.836 47.048 51.486 1.00 61.53 ? 1430 HOH A O 1 HETATM 7923 O O . HOH FA 6 . ? 57.406 -7.472 42.392 1.00 43.53 ? 1431 HOH A O 1 HETATM 7924 O O . HOH FA 6 . ? 33.338 -8.724 64.391 1.00 35.67 ? 1432 HOH A O 1 HETATM 7925 O O . HOH FA 6 . ? 27.396 -6.192 65.334 1.00 55.26 ? 1433 HOH A O 1 HETATM 7926 O O . HOH FA 6 . ? 45.473 -9.186 71.897 1.00 52.72 ? 1434 HOH A O 1 HETATM 7927 O O . HOH FA 6 . ? 18.284 32.919 49.823 1.00 51.65 ? 1435 HOH A O 1 HETATM 7928 O O . HOH FA 6 . ? 36.996 -16.801 61.136 1.00 48.42 ? 1436 HOH A O 1 HETATM 7929 O O . HOH FA 6 . ? 36.586 18.339 92.690 1.00 43.90 ? 1437 HOH A O 1 HETATM 7930 O O . HOH FA 6 . ? 30.447 7.172 87.925 1.00 55.21 ? 1438 HOH A O 1 HETATM 7931 O O . HOH FA 6 . ? 57.842 17.010 57.847 1.00 45.60 ? 1439 HOH A O 1 HETATM 7932 O O . HOH FA 6 . ? 17.127 34.213 45.764 1.00 50.72 ? 1440 HOH A O 1 HETATM 7933 O O . HOH FA 6 . ? 12.258 35.952 31.639 1.00 62.73 ? 1441 HOH A O 1 HETATM 7934 O O . HOH FA 6 . ? 3.261 34.790 60.432 1.00 56.28 ? 1442 HOH A O 1 HETATM 7935 O O . HOH FA 6 . ? -15.932 18.766 52.870 1.00 52.99 ? 1443 HOH A O 1 HETATM 7936 O O . HOH FA 6 . ? 55.055 10.698 35.299 1.00 49.80 ? 1444 HOH A O 1 HETATM 7937 O O . HOH FA 6 . ? 31.753 18.877 68.947 1.00 34.90 ? 1445 HOH A O 1 HETATM 7938 O O . HOH FA 6 . ? 18.984 40.356 42.601 1.00 58.50 ? 1446 HOH A O 1 HETATM 7939 O O . HOH FA 6 . ? 30.072 6.494 47.875 1.00 52.83 ? 1447 HOH A O 1 HETATM 7940 O O . HOH FA 6 . ? 18.797 37.853 42.017 1.00 54.04 ? 1448 HOH A O 1 HETATM 7941 O O . HOH FA 6 . ? 53.887 11.146 68.135 1.00 41.96 ? 1449 HOH A O 1 HETATM 7942 O O . HOH FA 6 . ? 14.322 36.580 70.340 1.00 55.30 ? 1450 HOH A O 1 HETATM 7943 O O . HOH FA 6 . ? 15.428 45.311 32.867 1.00 66.03 ? 1451 HOH A O 1 HETATM 7944 O O . HOH FA 6 . ? -2.281 -1.967 39.241 1.00 60.97 ? 1452 HOH A O 1 HETATM 7945 O O . HOH FA 6 . ? 26.549 37.658 72.567 1.00 56.59 ? 1453 HOH A O 1 HETATM 7946 O O . HOH FA 6 . ? 39.778 -17.292 56.795 1.00 54.43 ? 1454 HOH A O 1 HETATM 7947 O O . HOH FA 6 . ? 1.797 14.066 60.798 1.00 50.98 ? 1455 HOH A O 1 HETATM 7948 O O . HOH FA 6 . ? 41.529 -13.155 51.156 1.00 43.33 ? 1456 HOH A O 1 HETATM 7949 O O . HOH FA 6 . ? 46.709 19.494 77.937 1.00 44.67 ? 1457 HOH A O 1 HETATM 7950 O O . HOH FA 6 . ? 38.625 -8.022 67.348 1.00 51.28 ? 1458 HOH A O 1 HETATM 7951 O O . HOH FA 6 . ? 19.912 5.624 61.893 1.00 48.43 ? 1459 HOH A O 1 HETATM 7952 O O . HOH FA 6 . ? 14.967 44.359 64.440 1.00 56.60 ? 1460 HOH A O 1 HETATM 7953 O O . HOH FA 6 . ? 28.328 22.367 59.740 1.00 39.88 ? 1461 HOH A O 1 HETATM 7954 O O . HOH FA 6 . ? 59.120 -20.607 54.876 1.00 66.67 ? 1462 HOH A O 1 HETATM 7955 O O . HOH FA 6 . ? 27.098 -1.223 77.457 1.00 55.97 ? 1463 HOH A O 1 HETATM 7956 O O . HOH FA 6 . ? 57.067 10.091 64.974 1.00 50.60 ? 1464 HOH A O 1 HETATM 7957 O O . HOH FA 6 . ? 10.209 30.280 94.809 1.00 52.77 ? 1465 HOH A O 1 HETATM 7958 O O . HOH FA 6 . ? 57.011 10.296 48.247 1.00 45.99 ? 1466 HOH A O 1 HETATM 7959 O O . HOH FA 6 . ? 60.354 -2.030 47.065 1.00 58.35 ? 1467 HOH A O 1 HETATM 7960 O O . HOH FA 6 . ? 60.047 10.996 51.714 1.00 54.28 ? 1468 HOH A O 1 HETATM 7961 O O . HOH FA 6 . ? 28.944 -7.898 63.335 1.00 53.53 ? 1469 HOH A O 1 HETATM 7962 O O . HOH FA 6 . ? 42.950 -12.389 69.657 1.00 58.51 ? 1470 HOH A O 1 HETATM 7963 O O . HOH FA 6 . ? 50.799 22.220 65.122 1.00 60.68 ? 1471 HOH A O 1 HETATM 7964 O O . HOH FA 6 . ? -0.729 9.458 53.586 1.00 46.65 ? 1472 HOH A O 1 HETATM 7965 O O . HOH FA 6 . ? -8.856 36.306 67.594 1.00 56.10 ? 1473 HOH A O 1 HETATM 7966 O O . HOH FA 6 . ? 7.248 12.066 95.638 1.00 56.78 ? 1474 HOH A O 1 HETATM 7967 O O . HOH FA 6 . ? 29.044 24.696 75.875 1.00 42.33 ? 1475 HOH A O 1 HETATM 7968 O O . HOH FA 6 . ? 62.699 -9.905 72.569 1.00 49.41 ? 1476 HOH A O 1 HETATM 7969 O O . HOH FA 6 . ? 60.910 -10.188 65.843 1.00 51.42 ? 1477 HOH A O 1 HETATM 7970 O O . HOH FA 6 . ? 14.644 16.540 43.629 1.00 59.99 ? 1478 HOH A O 1 HETATM 7971 O O . HOH FA 6 . ? 42.380 16.391 85.322 1.00 43.00 ? 1479 HOH A O 1 HETATM 7972 O O . HOH FA 6 . ? 60.516 17.445 43.634 1.00 44.10 ? 1480 HOH A O 1 HETATM 7973 O O . HOH FA 6 . ? 34.735 12.838 32.782 1.00 58.58 ? 1481 HOH A O 1 HETATM 7974 O O . HOH FA 6 . ? 30.040 39.149 70.091 1.00 46.49 ? 1482 HOH A O 1 HETATM 7975 O O . HOH FA 6 . ? 20.166 27.206 62.807 1.00 48.65 ? 1483 HOH A O 1 HETATM 7976 O O . HOH FA 6 . ? 42.462 35.479 43.986 1.00 59.77 ? 1484 HOH A O 1 HETATM 7977 O O . HOH FA 6 . ? -3.896 27.783 55.470 1.00 52.59 ? 1485 HOH A O 1 HETATM 7978 O O . HOH FA 6 . ? -19.444 24.151 55.904 1.00 65.99 ? 1486 HOH A O 1 HETATM 7979 O O . HOH FA 6 . ? 2.866 11.721 96.231 1.00 64.52 ? 1487 HOH A O 1 HETATM 7980 O O . HOH FA 6 . ? 61.153 -14.542 62.334 1.00 59.45 ? 1488 HOH A O 1 HETATM 7981 O O . HOH FA 6 . ? 62.519 -6.016 53.969 1.00 53.55 ? 1489 HOH A O 1 HETATM 7982 O O . HOH FA 6 . ? 47.714 2.133 35.866 1.00 51.97 ? 1490 HOH A O 1 HETATM 7983 O O . HOH FA 6 . ? -1.610 12.587 63.760 1.00 50.82 ? 1491 HOH A O 1 HETATM 7984 O O . HOH FA 6 . ? 63.968 1.358 58.739 1.00 59.70 ? 1492 HOH A O 1 HETATM 7985 O O . HOH FA 6 . ? 5.481 7.036 84.589 1.00 57.58 ? 1493 HOH A O 1 HETATM 7986 O O . HOH FA 6 . ? -7.804 41.350 65.965 1.00 62.11 ? 1494 HOH A O 1 HETATM 7987 O O . HOH FA 6 . ? -1.234 46.278 63.555 1.00 58.16 ? 1495 HOH A O 1 HETATM 7988 O O . HOH FA 6 . ? 33.259 11.909 64.994 1.00 40.88 ? 1496 HOH A O 1 HETATM 7989 O O . HOH FA 6 . ? -12.458 33.930 69.310 1.00 59.83 ? 1497 HOH A O 1 HETATM 7990 O O . HOH FA 6 . ? 60.865 -16.189 52.981 1.00 53.73 ? 1498 HOH A O 1 HETATM 7991 O O . HOH FA 6 . ? 22.753 18.088 97.181 1.00 59.70 ? 1499 HOH A O 1 HETATM 7992 O O . HOH FA 6 . ? 39.540 1.629 31.847 1.00 60.51 ? 1500 HOH A O 1 HETATM 7993 O O . HOH FA 6 . ? 1.853 9.362 95.657 1.00 63.12 ? 1501 HOH A O 1 HETATM 7994 O O . HOH FA 6 . ? 47.144 -9.969 44.471 1.00 50.24 ? 1502 HOH A O 1 HETATM 7995 O O . HOH FA 6 . ? 6.594 15.069 96.670 1.00 54.48 ? 1503 HOH A O 1 HETATM 7996 O O . HOH FA 6 . ? -0.927 36.025 32.276 1.00 54.45 ? 1504 HOH A O 1 HETATM 7997 O O . HOH FA 6 . ? -8.221 19.971 83.641 1.00 57.38 ? 1505 HOH A O 1 HETATM 7998 O O . HOH FA 6 . ? 65.905 16.806 60.046 1.00 60.63 ? 1506 HOH A O 1 HETATM 7999 O O . HOH FA 6 . ? 24.230 10.590 94.887 1.00 55.83 ? 1507 HOH A O 1 HETATM 8000 O O . HOH FA 6 . ? 36.241 26.372 79.415 1.00 43.67 ? 1508 HOH A O 1 HETATM 8001 O O . HOH FA 6 . ? 42.528 38.486 65.691 1.00 56.53 ? 1509 HOH A O 1 HETATM 8002 O O . HOH FA 6 . ? 69.499 -9.244 59.389 1.00 57.62 ? 1510 HOH A O 1 HETATM 8003 O O . HOH FA 6 . ? 6.041 20.436 67.049 1.00 44.74 ? 1511 HOH A O 1 HETATM 8004 O O . HOH FA 6 . ? 63.399 8.401 53.592 1.00 50.97 ? 1512 HOH A O 1 HETATM 8005 O O . HOH FA 6 . ? 31.966 -5.253 53.565 1.00 54.44 ? 1513 HOH A O 1 HETATM 8006 O O . HOH FA 6 . ? 32.479 18.334 97.333 1.00 55.19 ? 1514 HOH A O 1 HETATM 8007 O O . HOH FA 6 . ? 23.305 -1.934 59.920 1.00 62.11 ? 1515 HOH A O 1 HETATM 8008 O O . HOH FA 6 . ? 67.380 -3.188 61.838 1.00 53.32 ? 1516 HOH A O 1 HETATM 8009 O O . HOH FA 6 . ? 60.644 3.001 47.966 1.00 56.21 ? 1517 HOH A O 1 HETATM 8010 O O . HOH FA 6 . ? 57.546 -19.810 60.116 1.00 58.85 ? 1518 HOH A O 1 HETATM 8011 O O . HOH FA 6 . ? 39.736 34.033 72.247 1.00 43.44 ? 1519 HOH A O 1 HETATM 8012 O O . HOH FA 6 . ? 9.464 19.784 46.711 1.00 53.39 ? 1520 HOH A O 1 HETATM 8013 O O . HOH FA 6 . ? 58.900 -15.824 66.187 1.00 49.07 ? 1521 HOH A O 1 HETATM 8014 O O . HOH FA 6 . ? 58.505 19.609 47.428 1.00 44.21 ? 1522 HOH A O 1 HETATM 8015 O O . HOH FA 6 . ? 4.289 3.740 77.382 1.00 49.16 ? 1523 HOH A O 1 HETATM 8016 O O . HOH FA 6 . ? 37.674 0.790 39.066 1.00 56.95 ? 1524 HOH A O 1 HETATM 8017 O O . HOH FA 6 . ? 16.432 46.944 54.121 1.00 58.84 ? 1525 HOH A O 1 HETATM 8018 O O . HOH FA 6 . ? 21.327 27.554 72.146 1.00 41.37 ? 1526 HOH A O 1 HETATM 8019 O O . HOH FA 6 . ? 40.142 20.562 35.287 1.00 53.54 ? 1527 HOH A O 1 HETATM 8020 O O . HOH FA 6 . ? 9.269 38.601 77.640 1.00 60.75 ? 1528 HOH A O 1 HETATM 8021 O O . HOH FA 6 . ? 38.391 15.425 32.317 1.00 45.67 ? 1529 HOH A O 1 HETATM 8022 O O . HOH FA 6 . ? 32.762 7.486 36.478 1.00 54.28 ? 1530 HOH A O 1 HETATM 8023 O O . HOH FA 6 . ? 30.440 31.963 80.441 1.00 50.71 ? 1531 HOH A O 1 HETATM 8024 O O . HOH FA 6 . ? 22.918 -4.269 62.154 1.00 48.18 ? 1532 HOH A O 1 HETATM 8025 O O . HOH FA 6 . ? 59.943 10.008 32.691 1.00 56.26 ? 1533 HOH A O 1 HETATM 8026 O O . HOH FA 6 . ? 32.367 45.810 52.063 1.00 60.69 ? 1534 HOH A O 1 HETATM 8027 O O . HOH FA 6 . ? 46.185 19.041 85.619 1.00 51.42 ? 1535 HOH A O 1 HETATM 8028 O O . HOH FA 6 . ? 47.134 -2.225 72.693 1.00 44.97 ? 1536 HOH A O 1 HETATM 8029 O O . HOH FA 6 . ? 49.871 28.592 56.489 1.00 58.77 ? 1537 HOH A O 1 HETATM 8030 O O . HOH FA 6 . ? 45.163 -0.348 73.049 1.00 54.82 ? 1538 HOH A O 1 HETATM 8031 O O . HOH FA 6 . ? 18.276 42.082 39.962 1.00 54.65 ? 1539 HOH A O 1 HETATM 8032 O O . HOH FA 6 . ? 20.813 41.899 61.138 1.00 60.15 ? 1540 HOH A O 1 HETATM 8033 O O . HOH FA 6 . ? 51.165 -8.353 75.712 1.00 60.86 ? 1541 HOH A O 1 HETATM 8034 O O . HOH FA 6 . ? 15.070 14.379 41.768 1.00 60.67 ? 1542 HOH A O 1 HETATM 8035 O O . HOH FA 6 . ? -0.654 41.578 74.802 1.00 54.06 ? 1543 HOH A O 1 HETATM 8036 O O . HOH FA 6 . ? 36.318 39.520 60.873 1.00 46.03 ? 1544 HOH A O 1 HETATM 8037 O O . HOH FA 6 . ? -7.648 18.779 91.534 1.00 58.88 ? 1545 HOH A O 1 HETATM 8038 O O . HOH FA 6 . ? 50.310 20.858 34.154 1.00 57.52 ? 1546 HOH A O 1 HETATM 8039 O O . HOH FA 6 . ? 7.238 0.802 78.541 1.00 48.88 ? 1547 HOH A O 1 HETATM 8040 O O . HOH FA 6 . ? 16.516 -2.338 75.785 1.00 44.80 ? 1548 HOH A O 1 HETATM 8041 O O . HOH FA 6 . ? 5.247 7.790 92.867 1.00 57.29 ? 1549 HOH A O 1 HETATM 8042 O O . HOH FA 6 . ? 2.442 28.420 24.860 1.00 55.84 ? 1550 HOH A O 1 HETATM 8043 O O . HOH FA 6 . ? 24.769 3.045 84.525 1.00 49.86 ? 1551 HOH A O 1 HETATM 8044 O O . HOH FA 6 . ? 65.052 10.686 57.428 1.00 62.29 ? 1552 HOH A O 1 HETATM 8045 O O . HOH FA 6 . ? 26.503 42.583 64.968 1.00 45.21 ? 1553 HOH A O 1 HETATM 8046 O O . HOH FA 6 . ? 36.870 -5.192 70.011 1.00 48.79 ? 1554 HOH A O 1 HETATM 8047 O O . HOH FA 6 . ? 44.524 3.938 34.039 1.00 54.43 ? 1555 HOH A O 1 HETATM 8048 O O . HOH FA 6 . ? 59.290 3.534 45.602 1.00 58.60 ? 1556 HOH A O 1 HETATM 8049 O O . HOH FA 6 . ? 13.585 17.562 94.540 1.00 47.94 ? 1557 HOH A O 1 HETATM 8050 O O . HOH FA 6 . ? 19.075 19.342 94.414 1.00 49.24 ? 1558 HOH A O 1 HETATM 8051 O O . HOH FA 6 . ? 25.765 28.474 98.300 1.00 51.61 ? 1559 HOH A O 1 HETATM 8052 O O . HOH FA 6 . ? 26.562 29.497 90.749 1.00 48.54 ? 1560 HOH A O 1 HETATM 8053 O O . HOH FA 6 . ? 43.551 0.558 35.698 1.00 60.10 ? 1561 HOH A O 1 HETATM 8054 O O . HOH FA 6 . ? 5.929 22.150 99.102 1.00 55.85 ? 1562 HOH A O 1 HETATM 8055 O O . HOH FA 6 . ? 46.919 7.140 69.725 1.00 44.04 ? 1563 HOH A O 1 HETATM 8056 O O . HOH FA 6 . ? 45.522 3.034 78.011 1.00 58.19 ? 1564 HOH A O 1 HETATM 8057 O O . HOH FA 6 . ? 46.339 -15.981 52.131 1.00 51.51 ? 1565 HOH A O 1 HETATM 8058 O O . HOH FA 6 . ? 36.818 2.055 32.587 1.00 65.94 ? 1566 HOH A O 1 HETATM 8059 O O . HOH FA 6 . ? 31.235 -11.511 59.310 1.00 52.98 ? 1567 HOH A O 1 HETATM 8060 O O . HOH FA 6 . ? 47.671 -4.750 41.502 1.00 47.74 ? 1568 HOH A O 1 HETATM 8061 O O . HOH FA 6 . ? 15.396 28.100 87.545 1.00 48.80 ? 1569 HOH A O 1 HETATM 8062 O O . HOH FA 6 . ? 2.790 11.466 54.807 1.00 53.04 ? 1570 HOH A O 1 HETATM 8063 O O . HOH FA 6 . ? -1.482 36.716 87.236 1.00 66.41 ? 1571 HOH A O 1 HETATM 8064 O O . HOH FA 6 . ? 4.914 44.519 33.776 1.00 55.10 ? 1572 HOH A O 1 HETATM 8065 O O . HOH FA 6 . ? 40.819 37.019 64.299 1.00 53.86 ? 1573 HOH A O 1 HETATM 8066 O O . HOH FA 6 . ? 39.856 33.187 83.308 1.00 56.32 ? 1574 HOH A O 1 HETATM 8067 O O . HOH FA 6 . ? 3.325 1.087 75.781 1.00 58.14 ? 1575 HOH A O 1 HETATM 8068 O O . HOH FA 6 . ? 53.895 -16.395 49.083 1.00 52.93 ? 1576 HOH A O 1 HETATM 8069 O O . HOH FA 6 . ? 2.323 9.289 85.613 1.00 60.31 ? 1577 HOH A O 1 HETATM 8070 O O . HOH FA 6 . ? -0.344 31.284 46.643 1.00 59.93 ? 1578 HOH A O 1 HETATM 8071 O O . HOH FA 6 . ? 55.951 16.798 64.668 1.00 47.35 ? 1579 HOH A O 1 HETATM 8072 O O . HOH FA 6 . ? -9.368 39.827 58.783 1.00 64.75 ? 1580 HOH A O 1 HETATM 8073 O O . HOH FA 6 . ? 56.845 19.031 62.675 1.00 51.72 ? 1581 HOH A O 1 HETATM 8074 O O . HOH FA 6 . ? 49.910 3.677 73.741 1.00 56.58 ? 1582 HOH A O 1 HETATM 8075 O O . HOH FA 6 . ? 60.968 7.180 52.805 1.00 51.66 ? 1583 HOH A O 1 HETATM 8076 O O . HOH FA 6 . ? 0.205 25.849 100.550 1.00 66.70 ? 1584 HOH A O 1 HETATM 8077 O O . HOH FA 6 . ? 52.277 -17.823 58.181 1.00 50.75 ? 1585 HOH A O 1 HETATM 8078 O O . HOH FA 6 . ? 44.446 -6.281 43.448 1.00 58.19 ? 1586 HOH A O 1 HETATM 8079 O O . HOH FA 6 . ? 20.642 39.111 53.456 1.00 57.00 ? 1587 HOH A O 1 HETATM 8080 O O . HOH FA 6 . ? 24.801 29.985 76.473 1.00 50.51 ? 1588 HOH A O 1 HETATM 8081 O O . HOH FA 6 . ? 32.435 27.528 90.516 1.00 41.39 ? 1589 HOH A O 1 HETATM 8082 O O . HOH FA 6 . ? 52.568 2.259 72.847 1.00 58.87 ? 1590 HOH A O 1 HETATM 8083 O O . HOH FA 6 . ? 39.229 29.981 86.523 1.00 55.10 ? 1591 HOH A O 1 HETATM 8084 O O . HOH FA 6 . ? 55.311 -17.124 65.613 1.00 51.61 ? 1592 HOH A O 1 HETATM 8085 O O . HOH FA 6 . ? 11.723 29.269 60.385 1.00 45.52 ? 1593 HOH A O 1 HETATM 8086 O O . HOH FA 6 . ? 62.776 -10.351 64.069 1.00 52.46 ? 1594 HOH A O 1 HETATM 8087 O O . HOH FA 6 . ? 62.725 18.874 36.973 1.00 52.55 ? 1595 HOH A O 1 HETATM 8088 O O . HOH FA 6 . ? 45.600 7.784 34.263 1.00 48.23 ? 1596 HOH A O 1 HETATM 8089 O O . HOH FA 6 . ? 12.019 3.575 51.420 1.00 60.69 ? 1597 HOH A O 1 HETATM 8090 O O . HOH FA 6 . ? 26.207 -3.996 76.809 1.00 59.81 ? 1598 HOH A O 1 HETATM 8091 O O . HOH FA 6 . ? 54.176 13.538 68.250 1.00 45.59 ? 1599 HOH A O 1 HETATM 8092 O O . HOH FA 6 . ? 24.609 41.669 61.295 1.00 51.44 ? 1600 HOH A O 1 HETATM 8093 O O . HOH FA 6 . ? 12.930 41.006 68.639 1.00 58.34 ? 1601 HOH A O 1 HETATM 8094 O O . HOH FA 6 . ? 7.379 41.855 71.004 1.00 53.95 ? 1602 HOH A O 1 HETATM 8095 O O . HOH FA 6 . ? 31.596 1.411 50.760 1.00 48.76 ? 1603 HOH A O 1 HETATM 8096 O O . HOH FA 6 . ? 20.558 43.429 64.101 1.00 55.11 ? 1604 HOH A O 1 HETATM 8097 O O . HOH FA 6 . ? 19.430 42.263 44.601 1.00 61.07 ? 1605 HOH A O 1 HETATM 8098 O O . HOH FA 6 . ? 8.639 39.606 74.638 1.00 51.64 ? 1606 HOH A O 1 HETATM 8099 O O . HOH FA 6 . ? 27.864 -1.291 54.190 1.00 48.25 ? 1607 HOH A O 1 HETATM 8100 O O . HOH FA 6 . ? 36.706 15.395 92.605 1.00 47.98 ? 1608 HOH A O 1 HETATM 8101 O O . HOH FA 6 . ? 52.945 15.381 31.336 1.00 45.67 ? 1609 HOH A O 1 HETATM 8102 O O . HOH FA 6 . ? 39.299 30.805 78.803 1.00 44.30 ? 1610 HOH A O 1 HETATM 8103 O O . HOH FA 6 . ? 3.389 6.301 65.140 1.00 52.14 ? 1611 HOH A O 1 HETATM 8104 O O . HOH FA 6 . ? 31.076 38.829 63.157 1.00 51.20 ? 1612 HOH A O 1 HETATM 8105 O O . HOH FA 6 . ? 14.920 15.996 35.188 1.00 58.23 ? 1613 HOH A O 1 HETATM 8106 O O . HOH FA 6 . ? 38.161 34.404 37.980 1.00 62.11 ? 1614 HOH A O 1 HETATM 8107 O O . HOH FA 6 . ? 15.955 19.894 44.445 1.00 58.90 ? 1615 HOH A O 1 HETATM 8108 O O . HOH FA 6 . ? 57.028 28.236 56.146 1.00 63.75 ? 1616 HOH A O 1 HETATM 8109 O O . HOH FA 6 . ? 11.496 5.889 64.412 1.00 48.13 ? 1617 HOH A O 1 HETATM 8110 O O . HOH FA 6 . ? 19.930 29.139 79.087 1.00 62.84 ? 1618 HOH A O 1 HETATM 8111 O O . HOH FA 6 . ? 21.840 6.691 91.531 1.00 58.70 ? 1619 HOH A O 1 HETATM 8112 O O . HOH FA 6 . ? 54.260 8.781 41.257 1.00 52.06 ? 1620 HOH A O 1 HETATM 8113 O O . HOH FA 6 . ? 54.485 26.644 45.381 1.00 53.38 ? 1621 HOH A O 1 HETATM 8114 O O . HOH FA 6 . ? 7.635 23.568 60.289 1.00 51.50 ? 1622 HOH A O 1 HETATM 8115 O O . HOH FA 6 . ? 10.609 5.012 91.712 1.00 60.57 ? 1623 HOH A O 1 HETATM 8116 O O . HOH FA 6 . ? 49.438 17.291 34.183 1.00 50.61 ? 1624 HOH A O 1 HETATM 8117 O O . HOH FA 6 . ? -11.008 23.471 74.622 1.00 59.56 ? 1625 HOH A O 1 HETATM 8118 O O . HOH FA 6 . ? 19.281 6.427 89.475 1.00 55.90 ? 1626 HOH A O 1 HETATM 8119 O O . HOH FA 6 . ? 48.876 -18.796 58.053 1.00 62.16 ? 1627 HOH A O 1 HETATM 8120 O O . HOH FA 6 . ? 38.148 7.290 85.684 1.00 58.05 ? 1628 HOH A O 1 HETATM 8121 O O . HOH FA 6 . ? 66.363 12.261 65.456 1.00 59.58 ? 1629 HOH A O 1 HETATM 8122 O O . HOH FA 6 . ? 37.250 31.371 85.500 1.00 59.00 ? 1630 HOH A O 1 HETATM 8123 O O . HOH FA 6 . ? -9.186 24.280 48.146 1.00 49.59 ? 1631 HOH A O 1 HETATM 8124 O O . HOH FA 6 . ? 54.686 -3.714 75.178 1.00 54.13 ? 1632 HOH A O 1 HETATM 8125 O O . HOH FA 6 . ? 48.353 25.094 70.633 1.00 50.57 ? 1633 HOH A O 1 HETATM 8126 O O . HOH FA 6 . ? 64.109 -12.530 60.195 1.00 58.09 ? 1634 HOH A O 1 HETATM 8127 O O . HOH FA 6 . ? 63.250 10.215 51.683 1.00 64.46 ? 1635 HOH A O 1 HETATM 8128 O O . HOH FA 6 . ? 48.533 33.776 47.687 1.00 62.96 ? 1636 HOH A O 1 HETATM 8129 O O . HOH FA 6 . ? 49.020 -1.465 74.261 1.00 49.52 ? 1637 HOH A O 1 HETATM 8130 O O . HOH FA 6 . ? 38.970 14.340 87.270 1.00 59.66 ? 1638 HOH A O 1 HETATM 8131 O O . HOH FA 6 . ? 41.042 33.889 37.941 1.00 57.32 ? 1639 HOH A O 1 HETATM 8132 O O . HOH FA 6 . ? 37.161 11.924 89.248 1.00 48.10 ? 1640 HOH A O 1 HETATM 8133 O O . HOH FA 6 . ? 42.889 38.941 87.443 1.00 52.80 ? 1641 HOH A O 1 HETATM 8134 O O . HOH FA 6 . ? 60.199 25.567 44.590 1.00 53.70 ? 1642 HOH A O 1 HETATM 8135 O O . HOH FA 6 . ? 37.764 -0.338 36.704 1.00 56.41 ? 1643 HOH A O 1 HETATM 8136 O O . HOH FA 6 . ? -4.797 45.788 61.207 1.00 67.00 ? 1644 HOH A O 1 HETATM 8137 O O . HOH FA 6 . ? -4.852 23.963 100.209 1.00 62.11 ? 1645 HOH A O 1 HETATM 8138 O O . HOH FA 6 . ? 62.895 16.124 53.683 1.00 55.26 ? 1646 HOH A O 1 HETATM 8139 O O . HOH FA 6 . ? 59.417 20.863 51.220 1.00 49.13 ? 1647 HOH A O 1 HETATM 8140 O O . HOH FA 6 . ? 36.663 27.717 82.365 1.00 60.97 ? 1648 HOH A O 1 HETATM 8141 O O . HOH FA 6 . ? 26.267 27.318 44.713 1.00 51.06 ? 1649 HOH A O 1 HETATM 8142 O O . HOH FA 6 . ? 11.882 32.804 94.595 1.00 66.19 ? 1650 HOH A O 1 HETATM 8143 O O . HOH FA 6 . ? -4.852 15.104 31.176 1.00 55.35 ? 1651 HOH A O 1 HETATM 8144 O O . HOH FA 6 . ? 17.015 28.683 82.718 1.00 48.51 ? 1652 HOH A O 1 HETATM 8145 O O . HOH FA 6 . ? 39.264 25.686 25.704 1.00 68.76 ? 1653 HOH A O 1 HETATM 8146 O O . HOH FA 6 . ? 25.046 54.442 56.712 1.00 63.10 ? 1654 HOH A O 1 HETATM 8147 O O . HOH FA 6 . ? 9.688 34.508 51.380 1.00 43.06 ? 1655 HOH A O 1 HETATM 8148 O O . HOH FA 6 . ? 11.235 25.692 62.705 1.00 47.72 ? 1656 HOH A O 1 HETATM 8149 O O . HOH FA 6 . ? 9.437 14.245 62.123 1.00 45.44 ? 1657 HOH A O 1 HETATM 8150 O O . HOH FA 6 . ? 6.489 27.301 58.493 1.00 54.21 ? 1658 HOH A O 1 HETATM 8151 O O . HOH FA 6 . ? 9.842 29.896 45.955 1.00 57.46 ? 1659 HOH A O 1 HETATM 8152 O O . HOH FA 6 . ? 29.191 19.564 40.169 1.00 62.18 ? 1660 HOH A O 1 HETATM 8153 O O . HOH FA 6 . ? -9.857 39.269 54.186 1.00 64.32 ? 1661 HOH A O 1 HETATM 8154 O O . HOH FA 6 . ? 42.052 -16.798 66.456 1.00 56.30 ? 1662 HOH A O 1 HETATM 8155 O O . HOH FA 6 . ? 54.828 -7.407 43.219 1.00 48.55 ? 1663 HOH A O 1 HETATM 8156 O O . HOH FA 6 . ? 17.196 4.475 43.739 1.00 64.33 ? 1664 HOH A O 1 HETATM 8157 O O . HOH FA 6 . ? 40.995 22.347 32.518 1.00 58.61 ? 1665 HOH A O 1 HETATM 8158 O O . HOH FA 6 . ? 32.466 -1.019 49.431 1.00 55.70 ? 1666 HOH A O 1 HETATM 8159 O O . HOH FA 6 . ? 56.475 9.567 37.363 1.00 45.04 ? 1667 HOH A O 1 HETATM 8160 O O . HOH FA 6 . ? 26.997 7.886 89.752 1.00 41.46 ? 1668 HOH A O 1 HETATM 8161 O O . HOH FA 6 . ? 24.056 7.738 92.627 1.00 52.69 ? 1669 HOH A O 1 HETATM 8162 O O . HOH FA 6 . ? 24.939 28.970 43.194 1.00 57.88 ? 1670 HOH A O 1 HETATM 8163 O O . HOH FA 6 . ? 30.113 31.824 40.373 1.00 62.66 ? 1671 HOH A O 1 HETATM 8164 O O . HOH FA 6 . ? 9.610 -3.123 45.604 1.00 68.79 ? 1672 HOH A O 1 HETATM 8165 O O . HOH FA 6 . ? -4.589 8.900 63.810 1.00 54.05 ? 1673 HOH A O 1 HETATM 8166 O O . HOH FA 6 . ? 15.138 13.391 34.481 1.00 65.50 ? 1674 HOH A O 1 HETATM 8167 O O . HOH FA 6 . ? 6.194 7.433 52.283 1.00 54.03 ? 1675 HOH A O 1 HETATM 8168 O O . HOH FA 6 . ? 16.804 9.758 64.284 1.00 46.30 ? 1676 HOH A O 1 HETATM 8169 O O . HOH FA 6 . ? 37.291 39.926 57.085 1.00 55.70 ? 1677 HOH A O 1 HETATM 8170 O O . HOH FA 6 . ? 47.866 6.966 34.455 1.00 59.60 ? 1678 HOH A O 1 HETATM 8171 O O . HOH FA 6 . ? 0.816 9.910 66.049 1.00 45.42 ? 1679 HOH A O 1 HETATM 8172 O O . HOH FA 6 . ? 7.601 18.347 68.309 1.00 40.71 ? 1680 HOH A O 1 HETATM 8173 O O . HOH FA 6 . ? 14.916 7.720 64.977 1.00 51.19 ? 1681 HOH A O 1 HETATM 8174 O O . HOH FA 6 . ? 34.213 3.592 37.013 1.00 57.41 ? 1682 HOH A O 1 HETATM 8175 O O . HOH FA 6 . ? 33.258 7.064 85.583 1.00 50.19 ? 1683 HOH A O 1 HETATM 8176 O O . HOH FA 6 . ? 25.386 5.912 88.498 1.00 48.56 ? 1684 HOH A O 1 HETATM 8177 O O . HOH FA 6 . ? 33.550 27.013 45.215 1.00 35.75 ? 1685 HOH A O 1 HETATM 8178 O O . HOH FA 6 . ? 44.191 -9.681 45.891 1.00 47.14 ? 1686 HOH A O 1 HETATM 8179 O O . HOH FA 6 . ? 34.290 -2.520 72.688 1.00 50.17 ? 1687 HOH A O 1 HETATM 8180 O O . HOH FA 6 . ? 43.605 21.276 76.107 1.00 58.57 ? 1688 HOH A O 1 HETATM 8181 O O . HOH FA 6 . ? 45.941 26.335 75.263 1.00 44.45 ? 1689 HOH A O 1 HETATM 8182 O O . HOH FA 6 . ? 41.589 31.374 68.071 1.00 42.89 ? 1690 HOH A O 1 HETATM 8183 O O . HOH FA 6 . ? 15.831 9.744 77.407 1.00 31.26 ? 1691 HOH A O 1 HETATM 8184 O O . HOH FA 6 . ? 45.199 16.755 34.322 1.00 43.43 ? 1692 HOH A O 1 HETATM 8185 O O . HOH FA 6 . ? -0.825 6.552 64.757 1.00 52.36 ? 1693 HOH A O 1 HETATM 8186 O O . HOH FA 6 . ? 47.126 30.880 45.246 1.00 58.97 ? 1694 HOH A O 1 HETATM 8187 O O . HOH FA 6 . ? 42.036 22.285 36.302 1.00 50.44 ? 1695 HOH A O 1 HETATM 8188 O O . HOH FA 6 . ? 25.925 1.225 76.668 1.00 52.11 ? 1696 HOH A O 1 HETATM 8189 O O . HOH FA 6 . ? 9.144 30.869 28.750 1.00 57.88 ? 1697 HOH A O 1 HETATM 8190 O O . HOH FA 6 . ? 30.829 8.030 54.970 1.00 58.31 ? 1698 HOH A O 1 HETATM 8191 O O . HOH FA 6 . ? 3.212 42.892 71.133 1.00 63.00 ? 1699 HOH A O 1 HETATM 8192 O O . HOH FA 6 . ? 10.760 22.683 44.059 1.00 50.70 ? 1700 HOH A O 1 HETATM 8193 O O . HOH FA 6 . ? 22.913 29.830 32.249 1.00 64.03 ? 1701 HOH A O 1 HETATM 8194 O O . HOH FA 6 . ? 18.515 8.871 92.074 1.00 58.88 ? 1702 HOH A O 1 HETATM 8195 O O . HOH FA 6 . ? 12.349 10.614 95.757 1.00 54.39 ? 1703 HOH A O 1 HETATM 8196 O O . HOH FA 6 . ? 46.351 -5.820 44.899 1.00 37.42 ? 1704 HOH A O 1 HETATM 8197 O O . HOH FA 6 . ? -8.621 26.025 76.395 1.00 58.69 ? 1705 HOH A O 1 HETATM 8198 O O . HOH FA 6 . ? -1.631 15.323 64.778 1.00 50.57 ? 1706 HOH A O 1 HETATM 8199 O O . HOH FA 6 . ? 20.642 24.158 88.713 1.00 47.76 ? 1707 HOH A O 1 HETATM 8200 O O . HOH FA 6 . ? 54.250 -17.693 62.194 1.00 48.14 ? 1708 HOH A O 1 HETATM 8201 O O . HOH FA 6 . ? 42.712 32.354 65.958 1.00 50.16 ? 1709 HOH A O 1 HETATM 8202 O O . HOH FA 6 . ? 37.697 1.859 70.637 1.00 37.32 ? 1710 HOH A O 1 HETATM 8203 O O . HOH FA 6 . ? 4.118 7.694 69.076 1.00 39.77 ? 1711 HOH A O 1 HETATM 8204 O O . HOH FA 6 . ? 33.306 28.208 37.715 1.00 53.40 ? 1712 HOH A O 1 HETATM 8205 O O . HOH FA 6 . ? 30.683 2.444 84.064 1.00 60.13 ? 1713 HOH A O 1 HETATM 8206 O O . HOH FA 6 . ? 51.577 4.032 43.291 1.00 37.86 ? 1714 HOH A O 1 HETATM 8207 O O . HOH FA 6 . ? -6.572 15.358 68.270 1.00 54.61 ? 1715 HOH A O 1 HETATM 8208 O O . HOH FA 6 . ? 11.458 15.606 63.214 1.00 52.60 ? 1716 HOH A O 1 HETATM 8209 O O . HOH FA 6 . ? 17.005 1.996 66.211 1.00 57.65 ? 1717 HOH A O 1 HETATM 8210 O O . HOH FA 6 . ? 22.438 -1.716 68.204 1.00 50.88 ? 1718 HOH A O 1 HETATM 8211 O O . HOH FA 6 . ? 17.979 1.186 79.683 1.00 48.18 ? 1719 HOH A O 1 HETATM 8212 O O . HOH FA 6 . ? 14.716 -4.354 74.809 1.00 57.85 ? 1720 HOH A O 1 HETATM 8213 O O . HOH FA 6 . ? 10.859 -1.157 80.670 1.00 44.05 ? 1721 HOH A O 1 HETATM 8214 O O . HOH FA 6 . ? 56.601 9.221 42.064 1.00 53.11 ? 1722 HOH A O 1 HETATM 8215 O O . HOH FA 6 . ? 20.207 22.335 90.934 1.00 46.63 ? 1723 HOH A O 1 HETATM 8216 O O . HOH FA 6 . ? 48.483 23.311 27.726 1.00 67.47 ? 1724 HOH A O 1 HETATM 8217 O O . HOH FA 6 . ? 43.336 6.575 34.197 1.00 46.86 ? 1725 HOH A O 1 HETATM 8218 O O . HOH FA 6 . ? 29.876 49.290 57.767 1.00 66.92 ? 1726 HOH A O 1 HETATM 8219 O O . HOH FA 6 . ? 62.791 11.855 60.093 1.00 53.84 ? 1727 HOH A O 1 HETATM 8220 O O . HOH FA 6 . ? 12.094 46.688 38.769 1.00 65.20 ? 1728 HOH A O 1 HETATM 8221 O O . HOH FA 6 . ? -1.277 9.891 67.414 1.00 50.58 ? 1729 HOH A O 1 HETATM 8222 O O . HOH FA 6 . ? 34.910 40.040 53.614 1.00 54.65 ? 1730 HOH A O 1 HETATM 8223 O O . HOH FA 6 . ? -4.547 15.979 67.175 1.00 52.04 ? 1731 HOH A O 1 HETATM 8224 O O . HOH FA 6 . ? 17.656 26.920 48.084 1.00 54.92 ? 1732 HOH A O 1 HETATM 8225 O O . HOH FA 6 . ? 50.809 28.572 52.046 1.00 55.51 ? 1733 HOH A O 1 HETATM 8226 O O . HOH FA 6 . ? -0.962 39.436 64.244 1.00 71.18 ? 1734 HOH A O 1 HETATM 8227 O O . HOH FA 6 . ? 0.580 43.503 66.744 1.00 54.11 ? 1735 HOH A O 1 HETATM 8228 O O . HOH FA 6 . ? 58.399 8.363 52.611 1.00 41.26 ? 1736 HOH A O 1 HETATM 8229 O O . HOH FA 6 . ? 59.196 16.258 55.958 1.00 41.96 ? 1737 HOH A O 1 HETATM 8230 O O . HOH FA 6 . ? 7.496 28.593 29.462 1.00 63.82 ? 1738 HOH A O 1 HETATM 8231 O O . HOH FA 6 . ? 52.474 -19.179 52.093 1.00 65.59 ? 1739 HOH A O 1 HETATM 8232 O O . HOH FA 6 . ? -0.849 14.845 80.488 1.00 54.12 ? 1740 HOH A O 1 HETATM 8233 O O . HOH FA 6 . ? 29.176 20.228 95.468 1.00 46.30 ? 1741 HOH A O 1 HETATM 8234 O O . HOH FA 6 . ? -3.755 41.739 43.705 1.00 59.94 ? 1742 HOH A O 1 HETATM 8235 O O . HOH FA 6 . ? 6.375 3.800 66.221 1.00 46.54 ? 1743 HOH A O 1 HETATM 8236 O O . HOH FA 6 . ? 53.810 25.264 48.385 1.00 54.18 ? 1744 HOH A O 1 HETATM 8237 O O . HOH FA 6 . ? 40.357 -10.323 48.008 1.00 50.17 ? 1745 HOH A O 1 HETATM 8238 O O . HOH FA 6 . ? 63.734 -10.656 57.627 1.00 54.63 ? 1746 HOH A O 1 HETATM 8239 O O . HOH FA 6 . ? 2.030 -7.233 52.288 1.00 65.92 ? 1747 HOH A O 1 HETATM 8240 O O . HOH FA 6 . ? 2.406 18.088 57.868 1.00 62.45 ? 1748 HOH A O 1 HETATM 8241 O O . HOH FA 6 . ? 66.122 10.886 68.014 1.00 74.70 ? 1749 HOH A O 1 HETATM 8242 O O . HOH FA 6 . ? 62.524 -0.870 67.188 1.00 39.10 ? 1750 HOH A O 1 HETATM 8243 O O . HOH FA 6 . ? 65.818 -2.313 54.091 1.00 61.37 ? 1751 HOH A O 1 HETATM 8244 O O . HOH FA 6 . ? 24.246 22.271 55.120 1.00 59.72 ? 1752 HOH A O 1 HETATM 8245 O O . HOH FA 6 . ? 1.435 12.352 64.802 1.00 47.40 ? 1753 HOH A O 1 HETATM 8246 O O . HOH FA 6 . ? 13.602 9.180 61.998 1.00 64.93 ? 1754 HOH A O 1 HETATM 8247 O O . HOH FA 6 . ? 38.481 28.091 32.426 1.00 62.36 ? 1755 HOH A O 1 HETATM 8248 O O . HOH FA 6 . ? 12.455 11.874 60.413 1.00 59.46 ? 1756 HOH A O 1 HETATM 8249 O O . HOH FA 6 . ? 30.206 26.280 38.621 1.00 56.14 ? 1757 HOH A O 1 HETATM 8250 O O . HOH FA 6 . ? -3.735 34.499 45.970 1.00 60.32 ? 1758 HOH A O 1 HETATM 8251 O O . HOH FA 6 . ? 16.967 20.855 94.162 1.00 63.42 ? 1759 HOH A O 1 HETATM 8252 O O . HOH FA 6 . ? 25.245 13.147 94.774 1.00 63.74 ? 1760 HOH A O 1 HETATM 8253 O O . HOH FA 6 . ? 26.827 11.158 95.352 1.00 60.42 ? 1761 HOH A O 1 HETATM 8254 O O . HOH FA 6 . ? 19.613 13.605 96.735 1.00 57.89 ? 1762 HOH A O 1 HETATM 8255 O O . HOH FA 6 . ? 1.994 20.013 61.444 1.00 46.35 ? 1763 HOH A O 1 HETATM 8256 O O . HOH FA 6 . ? 1.164 20.404 50.734 1.00 60.94 ? 1764 HOH A O 1 HETATM 8257 O O . HOH FA 6 . ? 20.982 41.717 58.323 1.00 61.91 ? 1765 HOH A O 1 HETATM 8258 O O . HOH FA 6 . ? 18.649 42.424 68.603 1.00 51.02 ? 1766 HOH A O 1 HETATM 8259 O O . HOH FA 6 . ? 8.587 35.131 28.901 1.00 66.51 ? 1767 HOH A O 1 HETATM 8260 O O . HOH FA 6 . ? 50.921 -14.896 67.084 1.00 55.77 ? 1768 HOH A O 1 HETATM 8261 O O . HOH FA 6 . ? 59.957 24.095 49.236 1.00 64.31 ? 1769 HOH A O 1 HETATM 8262 O O . HOH FA 6 . ? 49.401 27.862 41.718 1.00 65.30 ? 1770 HOH A O 1 HETATM 8263 O O . HOH FA 6 . ? 41.697 30.303 37.092 1.00 54.64 ? 1771 HOH A O 1 HETATM 8264 O O . HOH FA 6 . ? 39.307 34.857 41.464 1.00 41.00 ? 1772 HOH A O 1 HETATM 8265 O O . HOH FA 6 . ? 20.211 34.261 75.554 1.00 67.49 ? 1773 HOH A O 1 HETATM 8266 O O . HOH FA 6 . ? 11.929 -1.377 69.213 1.00 64.97 ? 1774 HOH A O 1 HETATM 8267 O O . HOH FA 6 . ? 33.628 3.786 43.810 1.00 42.96 ? 1775 HOH A O 1 HETATM 8268 O O . HOH FA 6 . ? 55.777 12.243 64.184 1.00 41.33 ? 1776 HOH A O 1 HETATM 8269 O O . HOH FA 6 . ? 37.418 3.330 75.072 1.00 45.23 ? 1777 HOH A O 1 HETATM 8270 O O . HOH FA 6 . ? 29.515 -1.607 76.270 1.00 50.64 ? 1778 HOH A O 1 HETATM 8271 O O . HOH FA 6 . ? 11.446 36.682 87.629 1.00 50.05 ? 1779 HOH A O 1 HETATM 8272 O O . HOH FA 6 . ? 32.066 13.602 63.510 1.00 29.29 ? 1780 HOH A O 1 HETATM 8273 O O . HOH FA 6 . ? 17.876 31.504 74.519 1.00 57.81 ? 1781 HOH A O 1 HETATM 8274 O O . HOH FA 6 . ? 16.254 22.553 82.220 1.00 42.29 ? 1782 HOH A O 1 HETATM 8275 O O . HOH FA 6 . ? 18.251 22.157 62.314 1.00 57.57 ? 1783 HOH A O 1 HETATM 8276 O O . HOH FA 6 . ? 38.983 -13.378 51.395 1.00 57.48 ? 1784 HOH A O 1 HETATM 8277 O O . HOH FA 6 . ? 57.974 -14.901 49.949 1.00 42.88 ? 1785 HOH A O 1 HETATM 8278 O O . HOH FA 6 . ? 42.417 -2.841 48.872 1.00 29.66 ? 1786 HOH A O 1 HETATM 8279 O O . HOH FA 6 . ? 32.442 19.259 44.559 1.00 52.87 ? 1787 HOH A O 1 HETATM 8280 O O . HOH FA 6 . ? -0.800 9.814 96.743 1.00 75.38 ? 1788 HOH A O 1 HETATM 8281 O O . HOH FA 6 . ? 16.732 1.227 76.904 1.00 43.09 ? 1789 HOH A O 1 HETATM 8282 O O . HOH FA 6 . ? 26.395 5.120 81.841 1.00 40.91 ? 1790 HOH A O 1 HETATM 8283 O O . HOH FA 6 . ? 39.517 25.690 59.320 1.00 34.56 ? 1791 HOH A O 1 HETATM 8284 O O . HOH FA 6 . ? 33.360 27.528 87.754 1.00 44.02 ? 1792 HOH A O 1 HETATM 8285 O O . HOH FA 6 . ? 53.214 8.222 81.890 1.00 64.80 ? 1793 HOH A O 1 HETATM 8286 O O . HOH FA 6 . ? 47.064 25.979 53.388 1.00 37.42 ? 1794 HOH A O 1 HETATM 8287 O O . HOH FA 6 . ? 29.569 7.958 50.318 1.00 55.91 ? 1795 HOH A O 1 HETATM 8288 O O . HOH FA 6 . ? 35.960 31.441 79.658 1.00 51.38 ? 1796 HOH A O 1 HETATM 8289 O O . HOH FA 6 . ? 14.807 12.925 46.625 1.00 61.18 ? 1797 HOH A O 1 HETATM 8290 O O . HOH FA 6 . ? -4.803 16.128 34.026 1.00 48.94 ? 1798 HOH A O 1 HETATM 8291 O O . HOH FA 6 . ? 1.934 9.348 76.477 1.00 55.91 ? 1799 HOH A O 1 HETATM 8292 O O . HOH FA 6 . ? 44.542 -16.802 54.880 1.00 52.35 ? 1800 HOH A O 1 HETATM 8293 O O . HOH FA 6 . ? 23.809 2.062 57.747 1.00 43.65 ? 1801 HOH A O 1 HETATM 8294 O O . HOH FA 6 . ? 50.069 -18.605 63.487 1.00 56.96 ? 1802 HOH A O 1 HETATM 8295 O O . HOH FA 6 . ? 14.763 34.350 29.377 1.00 61.83 ? 1803 HOH A O 1 HETATM 8296 O O . HOH FA 6 . ? 47.099 38.386 50.678 1.00 70.33 ? 1804 HOH A O 1 HETATM 8297 O O . HOH FA 6 . ? 0.206 31.329 24.476 1.00 63.88 ? 1805 HOH A O 1 HETATM 8298 O O . HOH FA 6 . ? 41.963 -4.803 45.120 1.00 48.33 ? 1806 HOH A O 1 HETATM 8299 O O . HOH FA 6 . ? 12.930 31.505 51.371 1.00 60.48 ? 1807 HOH A O 1 HETATM 8300 O O . HOH FA 6 . ? 23.573 20.414 63.536 1.00 42.92 ? 1808 HOH A O 1 HETATM 8301 O O . HOH FA 6 . ? 55.265 12.630 52.992 1.00 42.59 ? 1809 HOH A O 1 HETATM 8302 O O . HOH FA 6 . ? 55.133 9.747 51.626 1.00 42.41 ? 1810 HOH A O 1 HETATM 8303 O O . HOH FA 6 . ? 56.234 7.418 51.348 1.00 52.16 ? 1811 HOH A O 1 HETATM 8304 O O . HOH FA 6 . ? 38.746 26.847 37.624 1.00 37.81 ? 1812 HOH A O 1 HETATM 8305 O O . HOH FA 6 . ? 47.938 27.970 75.445 1.00 60.44 ? 1813 HOH A O 1 HETATM 8306 O O . HOH FA 6 . ? 45.662 23.587 76.687 1.00 56.60 ? 1814 HOH A O 1 HETATM 8307 O O . HOH FA 6 . ? 54.100 20.226 62.352 1.00 34.03 ? 1815 HOH A O 1 HETATM 8308 O O . HOH FA 6 . ? 13.123 7.918 94.301 1.00 56.53 ? 1816 HOH A O 1 HETATM 8309 O O . HOH FA 6 . ? -3.333 18.223 85.570 1.00 49.81 ? 1817 HOH A O 1 HETATM 8310 O O . HOH FA 6 . ? -4.937 14.593 80.169 1.00 55.22 ? 1818 HOH A O 1 HETATM 8311 O O . HOH FA 6 . ? 23.148 34.658 75.967 1.00 52.91 ? 1819 HOH A O 1 HETATM 8312 O O . HOH FA 6 . ? 24.851 41.595 77.974 1.00 62.13 ? 1820 HOH A O 1 HETATM 8313 O O . HOH FA 6 . ? 22.170 41.634 77.209 1.00 63.39 ? 1821 HOH A O 1 HETATM 8314 O O . HOH FA 6 . ? 39.541 7.623 81.337 1.00 41.05 ? 1822 HOH A O 1 HETATM 8315 O O . HOH FA 6 . ? 17.943 6.242 63.060 1.00 43.43 ? 1823 HOH A O 1 HETATM 8316 O O . HOH FA 6 . ? 20.991 3.380 59.173 1.00 62.50 ? 1824 HOH A O 1 HETATM 8317 O O . HOH FA 6 . ? 20.942 3.368 70.251 1.00 43.52 ? 1825 HOH A O 1 HETATM 8318 O O . HOH FA 6 . ? 20.285 3.845 65.355 1.00 64.10 ? 1826 HOH A O 1 HETATM 8319 O O . HOH FA 6 . ? 15.241 4.261 65.983 1.00 50.46 ? 1827 HOH A O 1 HETATM 8320 O O . HOH FA 6 . ? 17.950 -0.113 68.102 1.00 53.88 ? 1828 HOH A O 1 HETATM 8321 O O . HOH FA 6 . ? 15.826 27.178 63.147 1.00 50.95 ? 1829 HOH A O 1 HETATM 8322 O O . HOH FA 6 . ? 13.398 27.256 63.426 1.00 58.32 ? 1830 HOH A O 1 HETATM 8323 O O . HOH FA 6 . ? 17.990 26.231 64.034 1.00 44.33 ? 1831 HOH A O 1 HETATM 8324 O O . HOH FA 6 . ? 16.653 29.447 60.527 1.00 51.37 ? 1832 HOH A O 1 HETATM 8325 O O . HOH FA 6 . ? 22.863 25.541 59.771 1.00 55.83 ? 1833 HOH A O 1 HETATM 8326 O O . HOH FA 6 . ? 20.164 20.772 63.504 1.00 48.50 ? 1834 HOH A O 1 HETATM 8327 O O . HOH FA 6 . ? 22.167 22.397 62.776 1.00 55.16 ? 1835 HOH A O 1 HETATM 8328 O O . HOH FA 6 . ? 51.406 24.758 43.862 1.00 45.26 ? 1836 HOH A O 1 HETATM 8329 O O . HOH FA 6 . ? 16.655 45.948 41.985 1.00 56.36 ? 1837 HOH A O 1 HETATM 8330 O O . HOH FA 6 . ? 15.314 44.620 47.194 1.00 63.90 ? 1838 HOH A O 1 HETATM 8331 O O . HOH FA 6 . ? 11.039 44.082 48.237 1.00 52.49 ? 1839 HOH A O 1 HETATM 8332 O O . HOH FA 6 . ? 36.230 36.049 72.887 1.00 56.32 ? 1840 HOH A O 1 HETATM 8333 O O . HOH FA 6 . ? -14.826 16.126 65.825 1.00 62.87 ? 1841 HOH A O 1 HETATM 8334 O O . HOH FA 6 . ? -6.740 15.426 53.100 1.00 46.39 ? 1842 HOH A O 1 HETATM 8335 O O . HOH FA 6 . ? 52.022 4.769 69.218 1.00 49.47 ? 1843 HOH A O 1 HETATM 8336 O O . HOH FA 6 . ? 24.732 51.652 58.529 1.00 67.32 ? 1844 HOH A O 1 HETATM 8337 O O . HOH FA 6 . ? 17.907 29.334 75.324 1.00 50.42 ? 1845 HOH A O 1 HETATM 8338 O O . HOH FA 6 . ? 13.359 33.584 68.594 1.00 54.09 ? 1846 HOH A O 1 HETATM 8339 O O . HOH FA 6 . ? 0.443 30.975 36.424 1.00 63.74 ? 1847 HOH A O 1 HETATM 8340 O O . HOH FA 6 . ? 26.729 7.035 75.557 1.00 54.54 ? 1848 HOH A O 1 HETATM 8341 O O . HOH FA 6 . ? 24.948 27.136 55.225 1.00 43.56 ? 1849 HOH A O 1 HETATM 8342 O O . HOH FA 6 . ? 18.428 22.545 82.527 1.00 43.39 ? 1850 HOH A O 1 HETATM 8343 O O . HOH FA 6 . ? 32.584 35.756 38.351 1.00 64.94 ? 1851 HOH A O 1 HETATM 8344 O O . HOH FA 6 . ? 27.869 10.093 44.078 1.00 70.27 ? 1852 HOH A O 1 HETATM 8345 O O . HOH FA 6 . ? 44.896 27.302 42.626 1.00 43.83 ? 1853 HOH A O 1 HETATM 8346 O O . HOH FA 6 . ? 35.207 -7.323 66.050 1.00 35.14 ? 1854 HOH A O 1 HETATM 8347 O O . HOH FA 6 . ? 46.027 -13.424 66.165 1.00 48.50 ? 1855 HOH A O 1 HETATM 8348 O O . HOH FA 6 . ? 54.425 22.669 32.688 1.00 46.42 ? 1856 HOH A O 1 HETATM 8349 O O . HOH FA 6 . ? 21.300 3.174 67.452 1.00 62.06 ? 1857 HOH A O 1 HETATM 8350 O O . HOH FA 6 . ? 49.820 5.161 34.753 1.00 64.02 ? 1858 HOH A O 1 HETATM 8351 O O . HOH FA 6 . ? 23.527 23.818 51.696 1.00 63.89 ? 1859 HOH A O 1 HETATM 8352 O O . HOH FA 6 . ? 18.800 16.733 63.317 1.00 50.09 ? 1860 HOH A O 1 HETATM 8353 O O . HOH FA 6 . ? 32.602 11.417 34.028 1.00 57.79 ? 1861 HOH A O 1 HETATM 8354 O O . HOH FA 6 . ? 31.047 13.178 41.409 1.00 67.76 ? 1862 HOH A O 1 HETATM 8355 O O . HOH FA 6 . ? 22.811 10.087 39.298 1.00 69.01 ? 1863 HOH A O 1 HETATM 8356 O O . HOH FA 6 . ? 42.026 38.195 50.621 1.00 41.02 ? 1864 HOH A O 1 HETATM 8357 O O . HOH FA 6 . ? 48.710 -13.291 66.730 1.00 48.91 ? 1865 HOH A O 1 HETATM 8358 O O . HOH FA 6 . ? 46.590 37.974 55.666 1.00 56.01 ? 1866 HOH A O 1 HETATM 8359 O O . HOH FA 6 . ? 15.559 23.595 84.821 1.00 46.53 ? 1867 HOH A O 1 HETATM 8360 O O . HOH FA 6 . ? -1.405 10.830 61.843 1.00 52.43 ? 1868 HOH A O 1 HETATM 8361 O O . HOH FA 6 . ? 45.855 32.155 47.955 1.00 62.37 ? 1869 HOH A O 1 HETATM 8362 O O . HOH FA 6 . ? 47.834 35.027 51.263 1.00 58.70 ? 1870 HOH A O 1 HETATM 8363 O O . HOH FA 6 . ? -8.241 3.175 57.361 1.00 62.58 ? 1871 HOH A O 1 HETATM 8364 O O . HOH FA 6 . ? 36.117 39.926 71.993 1.00 64.38 ? 1872 HOH A O 1 HETATM 8365 O O . HOH FA 6 . ? 53.578 -7.721 75.973 1.00 57.13 ? 1873 HOH A O 1 HETATM 8366 O O . HOH FA 6 . ? 30.951 17.561 41.818 1.00 61.26 ? 1874 HOH A O 1 HETATM 8367 O O . HOH FA 6 . ? 56.563 -16.455 50.903 1.00 52.20 ? 1875 HOH A O 1 HETATM 8368 O O . HOH FA 6 . ? 48.124 26.921 51.051 1.00 43.30 ? 1876 HOH A O 1 HETATM 8369 O O . HOH FA 6 . ? -9.188 37.054 49.959 1.00 57.79 ? 1877 HOH A O 1 HETATM 8370 O O . HOH FA 6 . ? 66.141 -1.377 51.833 1.00 57.01 ? 1878 HOH A O 1 HETATM 8371 O O . HOH FA 6 . ? 56.329 2.511 48.227 1.00 45.91 ? 1879 HOH A O 1 HETATM 8372 O O . HOH FA 6 . ? 31.967 13.954 49.869 1.00 46.52 ? 1880 HOH A O 1 HETATM 8373 O O . HOH FA 6 . ? -7.023 25.479 36.019 1.00 50.91 ? 1881 HOH A O 1 HETATM 8374 O O . HOH FA 6 . ? 40.742 34.602 65.180 1.00 50.28 ? 1882 HOH A O 1 HETATM 8375 O O . HOH FA 6 . ? 29.641 -9.234 58.015 1.00 56.10 ? 1883 HOH A O 1 HETATM 8376 O O . HOH FA 6 . ? 28.614 3.230 78.697 1.00 64.11 ? 1884 HOH A O 1 HETATM 8377 O O . HOH FA 6 . ? 34.044 1.901 45.210 1.00 57.24 ? 1885 HOH A O 1 HETATM 8378 O O . HOH FA 6 . ? -1.634 21.803 52.409 1.00 53.12 ? 1886 HOH A O 1 HETATM 8379 O O . HOH FA 6 . ? -3.491 26.312 44.441 1.00 48.55 ? 1887 HOH A O 1 HETATM 8380 O O . HOH FA 6 . ? 47.541 28.230 54.965 1.00 49.77 ? 1888 HOH A O 1 HETATM 8381 O O . HOH FA 6 . ? 24.160 38.296 72.104 1.00 53.96 ? 1889 HOH A O 1 HETATM 8382 O O . HOH FA 6 . ? 2.339 16.116 32.102 1.00 62.29 ? 1890 HOH A O 1 HETATM 8383 O O . HOH FA 6 . ? 11.783 14.710 46.999 1.00 71.89 ? 1891 HOH A O 1 HETATM 8384 O O . HOH FA 6 . ? 29.025 2.964 55.473 1.00 51.45 ? 1892 HOH A O 1 HETATM 8385 O O . HOH FA 6 . ? 35.895 -11.128 52.196 1.00 39.51 ? 1893 HOH A O 1 HETATM 8386 O O . HOH FA 6 . ? 55.443 25.751 56.737 1.00 42.92 ? 1894 HOH A O 1 HETATM 8387 O O . HOH FA 6 . ? 54.031 23.164 61.838 1.00 56.49 ? 1895 HOH A O 1 HETATM 8388 O O . HOH FA 6 . ? 50.631 14.614 71.217 1.00 39.18 ? 1896 HOH A O 1 HETATM 8389 O O . HOH FA 6 . ? 39.060 23.659 84.401 1.00 40.31 ? 1897 HOH A O 1 HETATM 8390 O O . HOH FA 6 . ? 24.672 23.807 61.345 1.00 46.04 ? 1898 HOH A O 1 HETATM 8391 O O . HOH FA 6 . ? 11.139 28.483 48.089 1.00 51.23 ? 1899 HOH A O 1 HETATM 8392 O O . HOH FA 6 . ? 61.517 9.649 60.015 1.00 53.30 ? 1900 HOH A O 1 HETATM 8393 O O . HOH FA 6 . ? 63.506 15.508 61.811 1.00 60.32 ? 1901 HOH A O 1 HETATM 8394 O O . HOH FA 6 . ? 51.397 4.305 71.545 1.00 48.83 ? 1902 HOH A O 1 HETATM 8395 O O . HOH FA 6 . ? 53.748 27.470 54.218 1.00 48.66 ? 1903 HOH A O 1 HETATM 8396 O O . HOH FA 6 . ? 23.161 19.649 54.130 1.00 59.80 ? 1904 HOH A O 1 HETATM 8397 O O . HOH FA 6 . ? 59.056 3.425 65.018 1.00 54.13 ? 1905 HOH A O 1 HETATM 8398 O O . HOH FA 6 . ? 30.871 14.667 52.244 1.00 54.44 ? 1906 HOH A O 1 HETATM 8399 O O . HOH FA 6 . ? 27.866 47.207 57.373 1.00 63.37 ? 1907 HOH A O 1 HETATM 8400 O O . HOH FA 6 . ? 27.238 49.612 57.553 1.00 64.30 ? 1908 HOH A O 1 HETATM 8401 O O . HOH FA 6 . ? 12.472 24.365 44.945 1.00 54.66 ? 1909 HOH A O 1 HETATM 8402 O O . HOH FA 6 . ? 13.865 37.048 73.358 1.00 57.80 ? 1910 HOH A O 1 HETATM 8403 O O . HOH FA 6 . ? 2.524 30.607 56.556 1.00 52.54 ? 1911 HOH A O 1 HETATM 8404 O O . HOH FA 6 . ? 48.517 18.950 75.704 1.00 54.11 ? 1912 HOH A O 1 HETATM 8405 O O . HOH FA 6 . ? 14.230 6.124 48.131 1.00 62.76 ? 1913 HOH A O 1 HETATM 8406 O O . HOH FA 6 . ? -12.394 30.245 72.896 1.00 66.11 ? 1914 HOH A O 1 HETATM 8407 O O . HOH FA 6 . ? 6.040 16.873 63.388 1.00 63.43 ? 1915 HOH A O 1 HETATM 8408 O O . HOH FA 6 . ? 6.262 12.321 64.930 1.00 37.07 ? 1916 HOH A O 1 HETATM 8409 O O . HOH FA 6 . ? 21.070 1.865 76.942 1.00 52.87 ? 1917 HOH A O 1 HETATM 8410 O O . HOH FA 6 . ? 50.451 8.303 82.652 1.00 64.03 ? 1918 HOH A O 1 HETATM 8411 O O . HOH FA 6 . ? 61.028 13.090 58.562 1.00 51.29 ? 1919 HOH A O 1 HETATM 8412 O O . HOH FA 6 . ? 53.613 26.122 60.641 1.00 58.14 ? 1920 HOH A O 1 HETATM 8413 O O . HOH FA 6 . ? 50.420 23.466 70.651 1.00 61.18 ? 1921 HOH A O 1 HETATM 8414 O O . HOH FA 6 . ? 3.286 29.497 27.215 1.00 60.08 ? 1922 HOH A O 1 HETATM 8415 O O . HOH FA 6 . ? 28.084 13.317 49.928 1.00 63.51 ? 1923 HOH A O 1 HETATM 8416 O O . HOH FA 6 . ? 32.275 17.079 46.366 1.00 33.89 ? 1924 HOH A O 1 HETATM 8417 O O . HOH FA 6 . ? -6.665 43.897 61.722 1.00 66.11 ? 1925 HOH A O 1 HETATM 8418 O O . HOH FA 6 . ? 30.166 10.815 54.728 1.00 56.77 ? 1926 HOH A O 1 HETATM 8419 O O . HOH FA 6 . ? 29.365 24.778 43.259 1.00 56.56 ? 1927 HOH A O 1 HETATM 8420 O O . HOH FA 6 . ? 28.920 22.043 39.614 1.00 60.98 ? 1928 HOH A O 1 HETATM 8421 O O . HOH FA 6 . ? 33.317 31.109 82.219 1.00 55.13 ? 1929 HOH A O 1 HETATM 8422 O O . HOH FA 6 . ? -15.550 22.689 68.490 1.00 56.62 ? 1930 HOH A O 1 HETATM 8423 O O . HOH FA 6 . ? 45.411 -10.845 66.535 1.00 44.04 ? 1931 HOH A O 1 HETATM 8424 O O . HOH FA 6 . ? 50.284 23.982 46.043 1.00 37.69 ? 1932 HOH A O 1 HETATM 8425 O O . HOH FA 6 . ? 16.642 10.743 92.455 1.00 64.14 ? 1933 HOH A O 1 HETATM 8426 O O . HOH FA 6 . ? 9.530 37.589 80.129 1.00 60.36 ? 1934 HOH A O 1 HETATM 8427 O O . HOH FA 6 . ? 12.754 34.571 81.953 1.00 57.03 ? 1935 HOH A O 1 HETATM 8428 O O . HOH FA 6 . ? 21.912 28.108 83.953 1.00 38.38 ? 1936 HOH A O 1 HETATM 8429 O O . HOH FA 6 . ? 0.256 38.450 39.420 1.00 45.73 ? 1937 HOH A O 1 HETATM 8430 O O . HOH FA 6 . ? 43.619 36.362 89.445 1.00 56.80 ? 1938 HOH A O 1 HETATM 8431 O O . HOH FA 6 . ? 37.877 28.037 86.916 1.00 54.33 ? 1939 HOH A O 1 HETATM 8432 O O . HOH FA 6 . ? 46.594 15.531 30.767 1.00 49.34 ? 1940 HOH A O 1 HETATM 8433 O O . HOH FA 6 . ? 39.317 24.131 87.523 1.00 36.51 ? 1941 HOH A O 1 HETATM 8434 O O . HOH FA 6 . ? 1.647 17.719 49.596 1.00 44.86 ? 1942 HOH A O 1 HETATM 8435 O O . HOH FA 6 . ? 14.310 11.280 35.531 1.00 61.00 ? 1943 HOH A O 1 HETATM 8436 O O . HOH FA 6 . ? 4.775 -5.363 51.873 1.00 71.89 ? 1944 HOH A O 1 HETATM 8437 O O . HOH FA 6 . ? 32.919 8.669 53.028 1.00 33.27 ? 1945 HOH A O 1 HETATM 8438 O O . HOH FA 6 . ? 7.355 29.457 46.409 1.00 51.47 ? 1946 HOH A O 1 HETATM 8439 O O . HOH FA 6 . ? 25.041 -5.574 66.710 1.00 53.86 ? 1947 HOH A O 1 HETATM 8440 O O . HOH FA 6 . ? 16.653 28.020 92.760 1.00 54.64 ? 1948 HOH A O 1 HETATM 8441 O O . HOH FA 6 . ? 42.599 30.191 74.837 1.00 48.49 ? 1949 HOH A O 1 HETATM 8442 O O . HOH FA 6 . ? 37.876 -11.110 50.193 1.00 42.43 ? 1950 HOH A O 1 HETATM 8443 O O . HOH FA 6 . ? 13.140 3.988 63.043 1.00 54.45 ? 1951 HOH A O 1 HETATM 8444 O O . HOH FA 6 . ? 56.916 8.725 45.682 1.00 55.34 ? 1952 HOH A O 1 HETATM 8445 O O . HOH FA 6 . ? 2.109 9.465 52.996 1.00 49.44 ? 1953 HOH A O 1 HETATM 8446 O O . HOH FA 6 . ? 23.501 26.658 97.287 1.00 54.52 ? 1954 HOH A O 1 HETATM 8447 O O . HOH FA 6 . ? 61.401 18.271 53.507 1.00 55.68 ? 1955 HOH A O 1 HETATM 8448 O O . HOH FA 6 . ? 48.064 41.111 67.380 1.00 69.78 ? 1956 HOH A O 1 HETATM 8449 O O . HOH FA 6 . ? 53.017 23.970 42.012 1.00 55.16 ? 1957 HOH A O 1 HETATM 8450 O O . HOH FA 6 . ? 23.593 17.605 53.147 1.00 54.22 ? 1958 HOH A O 1 HETATM 8451 O O . HOH FA 6 . ? 48.053 4.509 70.439 1.00 55.42 ? 1959 HOH A O 1 HETATM 8452 O O . HOH FA 6 . ? 8.773 41.512 65.266 1.00 50.92 ? 1960 HOH A O 1 HETATM 8453 O O . HOH FA 6 . ? 3.436 10.202 62.332 1.00 61.99 ? 1961 HOH A O 1 HETATM 8454 O O . HOH FA 6 . ? 49.451 27.049 44.165 1.00 55.14 ? 1962 HOH A O 1 HETATM 8455 O O . HOH FA 6 . ? 45.683 29.595 40.283 1.00 55.68 ? 1963 HOH A O 1 HETATM 8456 O O . HOH FA 6 . ? 46.479 34.778 49.090 1.00 59.43 ? 1964 HOH A O 1 HETATM 8457 O O . HOH FA 6 . ? 21.127 7.836 59.482 1.00 59.93 ? 1965 HOH A O 1 HETATM 8458 O O . HOH FA 6 . ? 10.233 22.517 65.018 1.00 43.76 ? 1966 HOH A O 1 HETATM 8459 O O . HOH FA 6 . ? 3.655 18.172 59.792 1.00 57.68 ? 1967 HOH A O 1 HETATM 8460 O O . HOH FA 6 . ? 8.343 18.690 64.071 1.00 58.67 ? 1968 HOH A O 1 HETATM 8461 O O . HOH FA 6 . ? 8.112 20.866 65.384 1.00 56.17 ? 1969 HOH A O 1 HETATM 8462 O O . HOH FA 6 . ? 7.927 12.146 62.806 1.00 45.32 ? 1970 HOH A O 1 HETATM 8463 O O . HOH FA 6 . ? -0.388 -0.188 56.783 1.00 57.64 ? 1971 HOH A O 1 HETATM 8464 O O . HOH FA 6 . ? 8.629 9.606 61.776 1.00 52.12 ? 1972 HOH A O 1 HETATM 8465 O O . HOH FA 6 . ? 37.924 9.817 28.228 1.00 53.57 ? 1973 HOH A O 1 HETATM 8466 O O . HOH FA 6 . ? 38.329 -14.421 55.012 1.00 57.50 ? 1974 HOH A O 1 HETATM 8467 O O . HOH FA 6 . ? 20.440 -0.029 74.428 1.00 49.24 ? 1975 HOH A O 1 HETATM 8468 O O . HOH FA 6 . ? 60.304 -8.732 56.236 1.00 34.45 ? 1976 HOH A O 1 HETATM 8469 O O . HOH FA 6 . ? 46.309 1.919 74.131 1.00 57.39 ? 1977 HOH A O 1 HETATM 8470 O O . HOH FA 6 . ? 42.153 2.690 73.165 1.00 54.94 ? 1978 HOH A O 1 HETATM 8471 O O . HOH FA 6 . ? 56.904 19.254 59.697 1.00 33.87 ? 1979 HOH A O 1 HETATM 8472 O O . HOH FA 6 . ? 52.061 19.471 65.835 1.00 56.58 ? 1980 HOH A O 1 HETATM 8473 O O . HOH FA 6 . ? 49.827 25.275 65.943 1.00 43.93 ? 1981 HOH A O 1 HETATM 8474 O O . HOH FA 6 . ? 69.942 13.595 56.267 1.00 76.26 ? 1982 HOH A O 1 HETATM 8475 O O . HOH FA 6 . ? 28.736 22.826 37.322 1.00 62.50 ? 1983 HOH A O 1 HETATM 8476 O O . HOH FA 6 . ? 34.697 -3.092 45.313 1.00 63.33 ? 1984 HOH A O 1 HETATM 8477 O O . HOH FA 6 . ? 31.327 14.993 40.026 1.00 48.81 ? 1985 HOH A O 1 HETATM 8478 O O . HOH FA 6 . ? 27.052 11.869 51.399 1.00 50.11 ? 1986 HOH A O 1 HETATM 8479 O O . HOH FA 6 . ? 23.654 24.905 54.578 1.00 47.72 ? 1987 HOH A O 1 HETATM 8480 O O . HOH FA 6 . ? 24.571 30.438 50.728 1.00 48.47 ? 1988 HOH A O 1 HETATM 8481 O O . HOH FA 6 . ? 8.998 -1.276 78.009 1.00 57.14 ? 1989 HOH A O 1 HETATM 8482 O O . HOH FA 6 . ? 31.118 20.149 35.326 1.00 81.73 ? 1990 HOH A O 1 HETATM 8483 O O . HOH FA 6 . ? 56.822 22.111 51.516 1.00 72.61 ? 1991 HOH A O 1 HETATM 8484 O O . HOH FA 6 . ? 29.487 9.308 89.311 1.00 42.66 ? 1992 HOH A O 1 HETATM 8485 O O . HOH FA 6 . ? 21.673 10.015 95.859 1.00 58.51 ? 1993 HOH A O 1 HETATM 8486 O O . HOH FA 6 . ? -0.202 41.143 83.130 1.00 61.01 ? 1994 HOH A O 1 HETATM 8487 O O . HOH FA 6 . ? 0.512 41.214 65.613 1.00 51.65 ? 1995 HOH A O 1 HETATM 8488 O O . HOH FA 6 . ? 13.178 33.790 52.875 1.00 49.85 ? 1996 HOH A O 1 HETATM 8489 O O . HOH FA 6 . ? 45.816 21.179 75.053 1.00 53.08 ? 1997 HOH A O 1 HETATM 8490 O O . HOH FA 6 . ? 32.142 13.118 43.457 1.00 46.50 ? 1998 HOH A O 1 HETATM 8491 O O . HOH FA 6 . ? 30.248 17.651 44.649 1.00 66.97 ? 1999 HOH A O 1 HETATM 8492 O O . HOH FA 6 . ? 35.545 29.576 38.570 1.00 40.18 ? 2000 HOH A O 1 HETATM 8493 O O . HOH FA 6 . ? 23.058 6.056 67.485 1.00 45.66 ? 2001 HOH A O 1 HETATM 8494 O O . HOH FA 6 . ? 60.938 2.309 56.260 1.00 45.22 ? 2002 HOH A O 1 HETATM 8495 O O . HOH FA 6 . ? 59.103 22.080 59.176 1.00 54.31 ? 2003 HOH A O 1 HETATM 8496 O O . HOH FA 6 . ? 39.735 11.817 86.628 1.00 60.37 ? 2004 HOH A O 1 HETATM 8497 O O . HOH GA 6 . ? 23.259 10.805 58.277 1.00 64.40 ? 101 HOH B O 1 HETATM 8498 O O . HOH GA 6 . ? 23.933 21.503 57.857 1.00 51.01 ? 102 HOH B 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 . GLN A 1 ? 1.7110 1.4186 1.2912 0.2091 0.7640 0.5292 63 GLN A N 2 C CA . GLN A 1 ? 1.8264 0.9686 1.8341 0.2425 0.6294 0.4199 63 GLN A CA 3 C C . GLN A 1 ? 2.0684 0.7531 1.9290 0.3927 0.7697 0.5339 63 GLN A C 4 O O . GLN A 1 ? 2.0116 0.6792 1.6676 0.0281 0.8129 0.7116 63 GLN A O 5 C CB . GLN A 1 ? 1.9546 1.0563 1.8066 0.2389 0.9383 0.7178 63 GLN A CB 6 C CG . GLN A 1 ? 1.7746 1.1124 1.9330 0.2133 0.6801 0.4794 63 GLN A CG 7 C CD . GLN A 1 ? 1.3182 0.9378 1.9803 0.1656 0.3634 0.5918 63 GLN A CD 8 O OE1 . GLN A 1 ? 1.5561 1.0184 2.0190 -0.3703 0.3909 0.5740 63 GLN A OE1 9 N NE2 . GLN A 1 ? 1.1890 0.8171 1.9263 -0.1126 0.0328 0.5172 63 GLN A NE2 10 N N . SER A 2 ? 1.2589 0.5726 1.3953 -0.1639 0.4094 0.1086 64 SER A N 11 C CA . SER A 2 ? 1.3278 0.4810 1.3596 0.0876 0.4216 0.0805 64 SER A CA 12 C C . SER A 2 ? 1.4208 0.4352 1.0508 -0.0115 0.4167 0.0764 64 SER A C 13 O O . SER A 2 ? 1.0490 0.4472 1.0035 -0.0093 0.5238 0.1236 64 SER A O 14 C CB . SER A 2 ? 0.9343 0.5544 1.0135 -0.1461 0.5833 0.1355 64 SER A CB 15 O OG . SER A 2 ? 1.2112 0.3479 1.2383 0.1499 0.2840 0.1608 64 SER A OG 16 N N . LYS A 3 ? 0.9327 0.3228 0.9618 -0.1002 0.2547 0.0248 65 LYS A N 17 C CA . LYS A 3 ? 0.8891 0.2719 0.5899 0.0025 0.2428 0.0438 65 LYS A CA 18 C C . LYS A 3 ? 0.8271 0.2665 0.4507 -0.0609 0.2334 0.0399 65 LYS A C 19 O O . LYS A 3 ? 0.8029 0.2674 0.5562 0.0045 0.3013 -0.0219 65 LYS A O 20 C CB . LYS A 3 ? 0.8780 0.3561 0.6830 -0.0302 0.2876 -0.0056 65 LYS A CB 21 C CG . LYS A 3 ? 0.8339 0.3413 0.7190 0.1415 0.3474 0.0419 65 LYS A CG 22 C CD . LYS A 3 ? 1.0704 0.2700 0.8821 0.1376 0.2686 0.2192 65 LYS A CD 23 C CE . LYS A 3 ? 0.9850 0.4320 1.1037 0.1482 0.3291 -0.1286 65 LYS A CE 24 N NZ . LYS A 3 ? 1.1033 0.5091 1.0651 0.4708 0.1901 -0.0060 65 LYS A NZ 25 N N . PRO A 4 ? 0.6855 0.3092 0.3956 -0.0126 0.2281 0.0914 66 PRO A N 26 C CA . PRO A 4 ? 0.6744 0.3138 0.4226 -0.0063 0.1491 0.0450 66 PRO A CA 27 C C . PRO A 4 ? 0.6527 0.3016 0.3680 -0.0039 0.2038 0.0293 66 PRO A C 28 O O . PRO A 4 ? 0.5853 0.3141 0.3436 0.0005 0.1828 -0.0097 66 PRO A O 29 C CB . PRO A 4 ? 0.6943 0.2822 0.4375 0.0358 0.1058 0.0828 66 PRO A CB 30 C CG . PRO A 4 ? 0.7395 0.3040 0.4010 0.0105 0.1195 -0.0018 66 PRO A CG 31 C CD . PRO A 4 ? 0.6950 0.3154 0.5077 0.0036 0.1600 0.0523 66 PRO A CD 32 N N . TRP A 5 ? 0.5989 0.3195 0.3619 -0.0480 0.1587 -0.0075 67 TRP A N 33 C CA . TRP A 5 ? 0.5626 0.2779 0.3248 -0.0258 0.1695 -0.0077 67 TRP A CA 34 C C . TRP A 5 ? 0.5712 0.2489 0.3382 -0.0074 0.1655 -0.0082 67 TRP A C 35 O O . TRP A 5 ? 0.5733 0.2514 0.3548 -0.0498 0.1334 0.0033 67 TRP A O 36 C CB . TRP A 5 ? 0.5954 0.2822 0.2984 -0.0220 0.1563 -0.0295 67 TRP A CB 37 C CG . TRP A 5 ? 0.6338 0.2876 0.3577 0.0126 0.1656 -0.0155 67 TRP A CG 38 C CD1 . TRP A 5 ? 0.6263 0.3290 0.3427 0.0112 0.1337 -0.0040 67 TRP A CD1 39 C CD2 . TRP A 5 ? 0.6123 0.2991 0.3294 0.0212 0.1717 0.0219 67 TRP A CD2 40 N NE1 . TRP A 5 ? 0.7009 0.2924 0.3983 -0.0177 0.1348 -0.0392 67 TRP A NE1 41 C CE2 . TRP A 5 ? 0.7023 0.3045 0.4327 -0.0145 0.1184 0.0230 67 TRP A CE2 42 C CE3 . TRP A 5 ? 0.6330 0.2844 0.3292 -0.0042 0.2081 0.0020 67 TRP A CE3 43 C CZ2 . TRP A 5 ? 0.6945 0.3176 0.3852 -0.0140 0.1540 0.0444 67 TRP A CZ2 44 C CZ3 . TRP A 5 ? 0.6705 0.3250 0.4075 0.0159 0.1844 0.0196 67 TRP A CZ3 45 C CH2 . TRP A 5 ? 0.6920 0.2996 0.4922 -0.0298 0.1381 0.0511 67 TRP A CH2 46 N N . ASN A 6 ? 0.6018 0.2370 0.3862 -0.0736 0.1431 -0.0209 68 ASN A N 47 C CA . ASN A 6 ? 0.6135 0.2602 0.4209 -0.0982 0.1476 -0.0521 68 ASN A CA 48 C C . ASN A 6 ? 0.6051 0.3093 0.4351 -0.0806 0.1479 -0.0510 68 ASN A C 49 O O . ASN A 6 ? 0.5768 0.3697 0.4484 -0.0380 0.1964 0.0113 68 ASN A O 50 C CB . ASN A 6 ? 0.6664 0.2828 0.4255 -0.1124 0.0979 -0.0869 68 ASN A CB 51 C CG . ASN A 6 ? 0.7112 0.2690 0.4873 -0.0702 0.1810 -0.0428 68 ASN A CG 52 O OD1 . ASN A 6 ? 0.6438 0.3840 0.4013 -0.0162 0.1539 -0.0264 68 ASN A OD1 53 N ND2 . ASN A 6 ? 0.8482 0.2943 0.5332 -0.0168 0.1386 -0.0715 68 ASN A ND2 54 N N . ARG A 7 ? 0.5848 0.2479 0.3818 -0.0805 0.1472 0.0145 69 ARG A N 55 C CA . ARG A 7 ? 0.5978 0.2754 0.3767 -0.0777 0.1776 0.0187 69 ARG A CA 56 C C . ARG A 7 ? 0.5102 0.2583 0.3733 -0.0705 0.1069 0.0024 69 ARG A C 57 O O . ARG A 7 ? 0.5629 0.2819 0.2991 -0.0392 0.1783 -0.0406 69 ARG A O 58 C CB . ARG A 7 ? 0.6047 0.3079 0.3982 -0.0321 0.1417 0.0242 69 ARG A CB 59 C CG . ARG A 7 ? 0.7070 0.3288 0.4261 -0.0151 0.0954 0.0461 69 ARG A CG 60 C CD . ARG A 7 ? 0.6977 0.3190 0.4916 -0.0365 0.0746 -0.0022 69 ARG A CD 61 N NE . ARG A 7 ? 0.7349 0.4325 0.4848 0.0091 0.1119 0.1015 69 ARG A NE 62 C CZ . ARG A 7 ? 0.7539 0.3601 0.6315 -0.0479 0.0134 0.0345 69 ARG A CZ 63 N NH1 . ARG A 7 ? 0.7022 0.4203 0.5880 -0.1219 0.1080 0.0279 69 ARG A NH1 64 N NH2 . ARG A 7 ? 0.7739 0.4053 0.6868 0.0118 0.0851 0.0485 69 ARG A NH2 65 N N . TYR A 8 ? 0.5076 0.2687 0.3250 -0.0820 0.1568 -0.0189 70 TYR A N 66 C CA . TYR A 8 ? 0.5242 0.2974 0.3348 -0.0569 0.1185 0.0055 70 TYR A CA 67 C C . TYR A 8 ? 0.4668 0.3006 0.3562 -0.0578 0.1382 0.0061 70 TYR A C 68 O O . TYR A 8 ? 0.4887 0.2826 0.3182 -0.0333 0.1457 -0.0171 70 TYR A O 69 C CB . TYR A 8 ? 0.4997 0.3328 0.3557 -0.0487 0.1216 0.0406 70 TYR A CB 70 C CG . TYR A 8 ? 0.5247 0.3103 0.3894 -0.0804 0.1358 -0.0121 70 TYR A CG 71 C CD1 . TYR A 8 ? 0.4813 0.3498 0.3694 -0.0510 0.1382 -0.0245 70 TYR A CD1 72 C CD2 . TYR A 8 ? 0.5219 0.2883 0.3993 -0.0693 0.1462 -0.0481 70 TYR A CD2 73 C CE1 . TYR A 8 ? 0.5092 0.3285 0.3222 -0.0744 0.1850 -0.0514 70 TYR A CE1 74 C CE2 . TYR A 8 ? 0.5986 0.3172 0.4207 -0.0377 0.0980 0.0031 70 TYR A CE2 75 C CZ . TYR A 8 ? 0.5644 0.3583 0.3880 -0.1069 0.1444 -0.0384 70 TYR A CZ 76 O OH . TYR A 8 ? 0.5513 0.4141 0.4249 -0.0682 0.1462 -0.0861 70 TYR A OH 77 N N . ARG A 9 ? 0.4590 0.2500 0.3389 -0.0133 0.1218 -0.0144 71 ARG A N 78 C CA . ARG A 9 ? 0.4674 0.3295 0.3231 -0.0095 0.1392 -0.0463 71 ARG A CA 79 C C . ARG A 9 ? 0.4836 0.2832 0.3125 -0.0367 0.1572 -0.0146 71 ARG A C 80 O O . ARG A 9 ? 0.4644 0.2847 0.2747 -0.0317 0.1735 -0.0109 71 ARG A O 81 C CB . ARG A 9 ? 0.4948 0.2881 0.2995 -0.0093 0.1273 -0.0215 71 ARG A CB 82 C CG . ARG A 9 ? 0.4879 0.3017 0.2850 -0.0300 0.1820 -0.0248 71 ARG A CG 83 C CD . ARG A 9 ? 0.4725 0.3041 0.2815 -0.0274 0.1735 -0.0122 71 ARG A CD 84 N NE . ARG A 9 ? 0.4485 0.2996 0.3162 -0.0035 0.1698 -0.0079 71 ARG A NE 85 C CZ . ARG A 9 ? 0.4647 0.3206 0.3339 -0.0376 0.1127 -0.0193 71 ARG A CZ 86 N NH1 . ARG A 9 ? 0.4829 0.2605 0.2997 -0.0223 0.1316 0.0121 71 ARG A NH1 87 N NH2 . ARG A 9 ? 0.4184 0.3128 0.3306 -0.0315 0.1548 -0.0188 71 ARG A NH2 88 N N . LEU A 10 ? 0.4552 0.2697 0.2881 -0.0247 0.0831 0.0426 72 LEU A N 89 C CA . LEU A 10 ? 0.5201 0.2824 0.2556 -0.0411 0.1194 0.0109 72 LEU A CA 90 C C . LEU A 10 ? 0.5299 0.2985 0.2883 0.0123 0.1009 0.0094 72 LEU A C 91 O O . LEU A 10 ? 0.4801 0.2879 0.2684 -0.0036 0.1365 0.0698 72 LEU A O 92 C CB . LEU A 10 ? 0.4708 0.2790 0.2688 -0.0266 0.1158 0.0005 72 LEU A CB 93 C CG . LEU A 10 ? 0.4526 0.2461 0.3109 -0.0087 0.1266 0.0304 72 LEU A CG 94 C CD1 . LEU A 10 ? 0.4556 0.2610 0.2210 -0.0246 0.0482 -0.0285 72 LEU A CD1 95 C CD2 . LEU A 10 ? 0.4669 0.3283 0.2256 -0.0389 0.1047 0.0010 72 LEU A CD2 96 N N . PRO A 11 ? 0.5267 0.2989 0.2823 0.0088 0.1350 0.0256 73 PRO A N 97 C CA . PRO A 11 ? 0.5508 0.3549 0.3217 0.0352 0.1060 -0.0037 73 PRO A CA 98 C C . PRO A 11 ? 0.4974 0.3095 0.2891 0.0352 0.1429 0.0327 73 PRO A C 99 O O . PRO A 11 ? 0.4608 0.3196 0.2588 0.0368 0.1537 0.0374 73 PRO A O 100 C CB . PRO A 11 ? 0.5499 0.3548 0.3336 0.0539 0.0968 0.0245 73 PRO A CB 101 C CG . PRO A 11 ? 0.5866 0.2644 0.3284 -0.0096 0.1151 0.0434 73 PRO A CG 102 C CD . PRO A 11 ? 0.5216 0.3133 0.2780 0.0053 0.1214 0.0198 73 PRO A CD 103 N N . THR A 12 ? 0.5026 0.3384 0.2764 0.0875 0.1390 0.0039 74 THR A N 104 C CA . THR A 12 ? 0.5267 0.4080 0.3134 0.0284 0.1099 0.0084 74 THR A CA 105 C C . THR A 12 ? 0.5479 0.3416 0.3309 0.0275 0.1149 0.0021 74 THR A C 106 O O . THR A 12 ? 0.5062 0.3985 0.2372 0.0872 0.1306 -0.0172 74 THR A O 107 C CB . THR A 12 ? 0.5475 0.4329 0.3023 0.0768 0.1054 0.0453 74 THR A CB 108 O OG1 . THR A 12 ? 0.6480 0.4641 0.2935 -0.0637 0.1904 0.0950 74 THR A OG1 109 C CG2 . THR A 12 ? 0.5749 0.6328 0.4613 0.0729 0.1261 -0.0824 74 THR A CG2 110 N N . THR A 13 ? 0.5173 0.3746 0.2760 0.0499 0.1605 0.0474 75 THR A N 111 C CA . THR A 13 ? 0.5502 0.3363 0.3023 0.0494 0.1243 0.0882 75 THR A CA 112 C C . THR A 13 ? 0.5462 0.3866 0.2566 0.0444 0.1154 0.0701 75 THR A C 113 O O . THR A 13 ? 0.4939 0.4140 0.2558 0.0748 0.1242 0.0451 75 THR A O 114 C CB . THR A 13 ? 0.5242 0.3128 0.3081 0.0418 0.0829 0.0739 75 THR A CB 115 O OG1 . THR A 13 ? 0.5224 0.3359 0.2971 0.0906 0.1494 0.0357 75 THR A OG1 116 C CG2 . THR A 13 ? 0.5693 0.3566 0.3367 0.0921 0.1388 0.1348 75 THR A CG2 117 N N . LEU A 14 ? 0.4663 0.3275 0.2597 0.0765 0.1216 0.0492 76 LEU A N 118 C CA . LEU A 14 ? 0.4893 0.3417 0.2469 0.0497 0.0700 0.0583 76 LEU A CA 119 C C . LEU A 14 ? 0.5053 0.3196 0.2231 0.0410 0.0933 -0.0056 76 LEU A C 120 O O . LEU A 14 ? 0.5186 0.3428 0.2672 0.0499 0.0824 0.0247 76 LEU A O 121 C CB . LEU A 14 ? 0.4671 0.3284 0.2850 0.0252 0.1326 -0.0066 76 LEU A CB 122 C CG . LEU A 14 ? 0.5120 0.3313 0.2607 0.0271 0.1226 0.0451 76 LEU A CG 123 C CD1 . LEU A 14 ? 0.5340 0.3643 0.2530 -0.0450 0.0963 0.0505 76 LEU A CD1 124 C CD2 . LEU A 14 ? 0.5229 0.3624 0.2075 0.0443 0.1166 0.0330 76 LEU A CD2 125 N N . LEU A 15 ? 0.4572 0.3434 0.2120 0.0347 0.0700 0.0152 77 LEU A N 126 C CA . LEU A 15 ? 0.4962 0.3378 0.2503 0.0151 0.0341 0.0302 77 LEU A CA 127 C C . LEU A 15 ? 0.4664 0.3778 0.2091 0.0296 0.0315 0.0328 77 LEU A C 128 O O . LEU A 15 ? 0.4349 0.3331 0.2477 0.0420 0.0928 0.0164 77 LEU A O 129 C CB . LEU A 15 ? 0.4567 0.3632 0.2488 0.0361 0.0604 0.0348 77 LEU A CB 130 C CG . LEU A 15 ? 0.5051 0.4142 0.2561 0.0131 0.0385 0.0783 77 LEU A CG 131 C CD1 . LEU A 15 ? 0.5390 0.3747 0.3044 0.0555 0.0737 0.0041 77 LEU A CD1 132 C CD2 . LEU A 15 ? 0.4681 0.4795 0.2840 -0.0123 0.0498 0.0332 77 LEU A CD2 133 N N . PRO A 16 ? 0.4488 0.3344 0.2545 0.0183 0.0363 0.0481 78 PRO A N 134 C CA . PRO A 16 ? 0.3877 0.3217 0.2630 0.0217 0.0634 -0.0043 78 PRO A CA 135 C C . PRO A 16 ? 0.4258 0.3168 0.2645 0.0284 0.0543 -0.0015 78 PRO A C 136 O O . PRO A 16 ? 0.4195 0.3830 0.2325 -0.0009 0.0710 -0.0208 78 PRO A O 137 C CB . PRO A 16 ? 0.4623 0.2618 0.2158 0.0054 0.0616 0.0338 78 PRO A CB 138 C CG . PRO A 16 ? 0.3939 0.3155 0.2597 0.0016 0.0488 0.0403 78 PRO A CG 139 C CD . PRO A 16 ? 0.4333 0.3357 0.2607 0.0234 0.0679 0.0352 78 PRO A CD 140 N N . ASP A 17 ? 0.4388 0.3517 0.1688 0.0214 0.0434 0.0155 79 ASP A N 141 C CA . ASP A 17 ? 0.3874 0.3491 0.2979 0.0027 0.0559 0.0169 79 ASP A CA 142 C C . ASP A 17 ? 0.3852 0.3400 0.2584 0.0253 0.0184 -0.0082 79 ASP A C 143 O O . ASP A 17 ? 0.3794 0.3207 0.2504 -0.0198 0.0242 -0.0266 79 ASP A O 144 C CB . ASP A 17 ? 0.4440 0.3688 0.3496 0.0254 0.0051 -0.0321 79 ASP A CB 145 C CG . ASP A 17 ? 0.4546 0.4514 0.3224 -0.0121 0.0595 -0.0210 79 ASP A CG 146 O OD1 . ASP A 17 ? 0.5505 0.4414 0.3501 -0.0304 0.0222 -0.0510 79 ASP A OD1 147 O OD2 . ASP A 17 ? 0.4910 0.4538 0.3312 0.0102 0.0576 0.0401 79 ASP A OD2 148 N N . SER A 18 ? 0.3569 0.3369 0.2654 0.0146 0.0416 0.0032 80 SER A N 149 C CA . SER A 18 ? 0.3752 0.3137 0.2809 0.0278 0.0438 -0.0028 80 SER A CA 150 C C . SER A 18 ? 0.3897 0.3082 0.2530 -0.0002 0.0418 0.0208 80 SER A C 151 O O . SER A 18 ? 0.3926 0.3382 0.2034 0.0444 0.0372 0.0066 80 SER A O 152 C CB . SER A 18 ? 0.4314 0.3818 0.3306 -0.0184 0.0498 0.0063 80 SER A CB 153 O OG . SER A 18 ? 0.4565 0.4069 0.3153 -0.0202 0.0256 -0.0249 80 SER A OG 154 N N . TYR A 19 ? 0.3385 0.3147 0.2629 -0.0102 0.0652 0.0248 81 TYR A N 155 C CA . TYR A 19 ? 0.3570 0.2870 0.2378 0.0067 0.0776 0.0350 81 TYR A CA 156 C C . TYR A 19 ? 0.4016 0.2906 0.2688 -0.0121 0.0582 0.0392 81 TYR A C 157 O O . TYR A 19 ? 0.3837 0.2877 0.2417 0.0136 0.0825 0.0186 81 TYR A O 158 C CB . TYR A 19 ? 0.3857 0.2598 0.2243 -0.0237 0.0460 0.0353 81 TYR A CB 159 C CG . TYR A 19 ? 0.3597 0.2853 0.2434 -0.0212 0.0518 0.0335 81 TYR A CG 160 C CD1 . TYR A 19 ? 0.3829 0.2634 0.2587 0.0183 0.0615 0.0017 81 TYR A CD1 161 C CD2 . TYR A 19 ? 0.4005 0.2705 0.2196 -0.0196 0.0404 0.0346 81 TYR A CD2 162 C CE1 . TYR A 19 ? 0.4217 0.2911 0.1990 -0.0032 0.0554 0.0061 81 TYR A CE1 163 C CE2 . TYR A 19 ? 0.4048 0.2597 0.2425 0.0011 0.0676 0.0212 81 TYR A CE2 164 C CZ . TYR A 19 ? 0.4324 0.2310 0.2318 0.0074 0.0612 0.0214 81 TYR A CZ 165 O OH . TYR A 19 ? 0.3956 0.2449 0.2097 0.0255 0.1129 -0.0210 81 TYR A OH 166 N N . ASN A 20 ? 0.3469 0.3150 0.2727 -0.0413 0.0808 0.0391 82 ASN A N 167 C CA . ASN A 20 ? 0.3763 0.3148 0.2724 -0.0040 0.0776 0.0430 82 ASN A CA 168 C C . ASN A 20 ? 0.3467 0.3272 0.2658 -0.0076 0.0857 0.0368 82 ASN A C 169 O O . ASN A 20 ? 0.4163 0.3004 0.2631 0.0353 0.0513 0.0432 82 ASN A O 170 C CB . ASN A 20 ? 0.3846 0.3456 0.3279 0.0371 0.0520 0.0215 82 ASN A CB 171 C CG . ASN A 20 ? 0.3680 0.3574 0.3400 0.0077 0.0677 0.0406 82 ASN A CG 172 O OD1 . ASN A 20 ? 0.3721 0.3531 0.3529 -0.0011 0.0957 0.0376 82 ASN A OD1 173 N ND2 . ASN A 20 ? 0.4195 0.3415 0.3094 0.0277 0.1181 0.0343 82 ASN A ND2 174 N N . VAL A 21 ? 0.3534 0.2579 0.2692 -0.0088 0.1029 0.0317 83 VAL A N 175 C CA . VAL A 21 ? 0.4030 0.2796 0.2636 -0.0047 0.0614 0.0581 83 VAL A CA 176 C C . VAL A 21 ? 0.3878 0.3011 0.2701 -0.0330 0.0934 0.0527 83 VAL A C 177 O O . VAL A 21 ? 0.3958 0.3057 0.2842 0.0107 0.1078 0.0385 83 VAL A O 178 C CB . VAL A 21 ? 0.3862 0.2650 0.2574 -0.0257 0.0554 0.0520 83 VAL A CB 179 C CG1 . VAL A 21 ? 0.3807 0.3321 0.2341 -0.0354 0.0726 0.0420 83 VAL A CG1 180 C CG2 . VAL A 21 ? 0.3991 0.2979 0.2427 0.0163 0.0852 0.0438 83 VAL A CG2 181 N N . THR A 22 ? 0.3775 0.2748 0.2701 0.0000 0.0673 0.0376 84 THR A N 182 C CA . THR A 22 ? 0.3826 0.3056 0.2697 -0.0380 0.1034 0.0545 84 THR A CA 183 C C . THR A 22 ? 0.3618 0.3115 0.2093 -0.0129 0.1199 0.0643 84 THR A C 184 O O . THR A 22 ? 0.3908 0.2996 0.2964 0.0170 0.0722 0.0490 84 THR A O 185 C CB . THR A 22 ? 0.3897 0.3063 0.2797 -0.0069 0.0679 0.0639 84 THR A CB 186 O OG1 . THR A 22 ? 0.3789 0.3351 0.2665 -0.0138 0.0921 0.0567 84 THR A OG1 187 C CG2 . THR A 22 ? 0.4177 0.3367 0.2732 -0.0170 0.0877 0.0609 84 THR A CG2 188 N N . LEU A 23 ? 0.3719 0.2588 0.2316 -0.0090 0.1091 0.0438 85 LEU A N 189 C CA . LEU A 23 ? 0.4109 0.3080 0.2734 -0.0124 0.0664 0.0401 85 LEU A CA 190 C C . LEU A 23 ? 0.4017 0.3361 0.2699 0.0009 0.0921 0.0416 85 LEU A C 191 O O . LEU A 23 ? 0.4340 0.3435 0.2530 -0.0225 0.1212 0.0287 85 LEU A O 192 C CB . LEU A 23 ? 0.3932 0.3237 0.2817 -0.0289 0.0900 0.0036 85 LEU A CB 193 C CG . LEU A 23 ? 0.4506 0.3106 0.2749 -0.0086 0.0227 0.0354 85 LEU A CG 194 C CD1 . LEU A 23 ? 0.3684 0.2829 0.3240 -0.0236 0.0868 0.1173 85 LEU A CD1 195 C CD2 . LEU A 23 ? 0.4472 0.3635 0.2935 -0.0328 0.0231 0.0397 85 LEU A CD2 196 N N . ARG A 24 ? 0.4418 0.3168 0.2618 0.0024 0.1058 0.0318 86 ARG A N 197 C CA . ARG A 24 ? 0.4328 0.3329 0.2339 0.0136 0.0923 0.0196 86 ARG A CA 198 C C . ARG A 24 ? 0.4651 0.3199 0.1811 -0.0095 0.0787 0.0324 86 ARG A C 199 O O . ARG A 24 ? 0.4894 0.3023 0.1972 -0.0061 0.0782 0.0449 86 ARG A O 200 C CB . ARG A 24 ? 0.4582 0.3429 0.2315 0.0078 0.0963 0.0352 86 ARG A CB 201 C CG . ARG A 24 ? 0.4613 0.3199 0.2712 -0.0144 0.1441 0.0485 86 ARG A CG 202 C CD . ARG A 24 ? 0.5065 0.3111 0.2522 0.0472 0.1244 0.0821 86 ARG A CD 203 N NE . ARG A 24 ? 0.4722 0.2832 0.2614 0.0060 0.1418 0.0577 86 ARG A NE 204 C CZ . ARG A 24 ? 0.5069 0.4151 0.2767 0.0445 0.1382 0.0940 86 ARG A CZ 205 N NH1 . ARG A 24 ? 0.5285 0.3606 0.2828 0.0814 0.1904 0.0622 86 ARG A NH1 206 N NH2 . ARG A 24 ? 0.5458 0.4393 0.2603 0.0289 0.1939 0.0645 86 ARG A NH2 207 N N . PRO A 25 ? 0.4717 0.3081 0.1857 0.0032 0.0647 0.0381 87 PRO A N 208 C CA . PRO A 25 ? 0.4899 0.3175 0.2188 0.0223 0.0506 0.0452 87 PRO A CA 209 C C . PRO A 25 ? 0.4625 0.3342 0.2325 0.0423 0.0914 0.0303 87 PRO A C 210 O O . PRO A 25 ? 0.4955 0.3451 0.2063 0.0097 0.0952 0.0563 87 PRO A O 211 C CB . PRO A 25 ? 0.4746 0.3455 0.2577 0.0325 0.0459 0.0414 87 PRO A CB 212 C CG . PRO A 25 ? 0.4279 0.3403 0.2304 0.0079 0.1005 0.0415 87 PRO A CG 213 C CD . PRO A 25 ? 0.4630 0.3051 0.2191 0.0143 0.0597 0.0213 87 PRO A CD 214 N N . TYR A 26 ? 0.5292 0.3601 0.2144 0.0213 0.0739 0.0175 88 TYR A N 215 C CA . TYR A 26 ? 0.5671 0.4128 0.2129 0.0106 0.0211 0.0426 88 TYR A CA 216 C C . TYR A 26 ? 0.5843 0.4106 0.2229 -0.0136 0.0262 0.0747 88 TYR A C 217 O O . TYR A 26 ? 0.6018 0.4085 0.3046 -0.0095 -0.0168 0.0644 88 TYR A O 218 C CB . TYR A 26 ? 0.5976 0.3680 0.2405 -0.0196 0.0424 0.0596 88 TYR A CB 219 C CG . TYR A 26 ? 0.6139 0.3484 0.2085 0.0059 0.0639 -0.0026 88 TYR A CG 220 C CD1 . TYR A 26 ? 0.5610 0.3592 0.2636 -0.0468 0.0507 0.0537 88 TYR A CD1 221 C CD2 . TYR A 26 ? 0.6181 0.3660 0.2732 -0.0221 0.0690 -0.0176 88 TYR A CD2 222 C CE1 . TYR A 26 ? 0.5899 0.3778 0.2322 0.0306 0.0430 -0.0369 88 TYR A CE1 223 C CE2 . TYR A 26 ? 0.6038 0.4196 0.2434 -0.0436 0.0992 0.0241 88 TYR A CE2 224 C CZ . TYR A 26 ? 0.5840 0.3786 0.2931 -0.0425 0.0445 0.0351 88 TYR A CZ 225 O OH . TYR A 26 ? 0.5517 0.3854 0.2961 -0.0166 0.1593 0.0275 88 TYR A OH 226 N N . LEU A 27 ? 0.6248 0.4326 0.1991 0.0165 0.0169 0.0879 89 LEU A N 227 C CA . LEU A 27 ? 0.6348 0.4263 0.2864 0.0392 0.0670 0.0966 89 LEU A CA 228 C C . LEU A 27 ? 0.6692 0.5471 0.3109 0.0437 0.0243 0.0724 89 LEU A C 229 O O . LEU A 27 ? 0.7039 0.5450 0.2969 0.0851 -0.0264 0.0720 89 LEU A O 230 C CB . LEU A 27 ? 0.6028 0.4373 0.3031 -0.0114 0.1139 0.0706 89 LEU A CB 231 C CG . LEU A 27 ? 0.5994 0.4066 0.3214 0.0086 0.0458 0.0642 89 LEU A CG 232 C CD1 . LEU A 27 ? 0.6011 0.4596 0.3284 -0.0193 0.0887 -0.0038 89 LEU A CD1 233 C CD2 . LEU A 27 ? 0.6436 0.4041 0.2723 0.0019 0.0653 0.0935 89 LEU A CD2 234 N N . THR A 28 ? 0.6949 0.5260 0.2888 0.0327 0.0512 0.0659 90 THR A N 235 C CA . THR A 28 ? 0.7645 0.6278 0.2837 -0.0495 0.0572 0.0860 90 THR A CA 236 C C . THR A 28 ? 0.7120 0.6198 0.2803 0.0357 0.0237 0.0064 90 THR A C 237 O O . THR A 28 ? 0.7730 0.5598 0.2362 0.0763 0.0690 -0.0419 90 THR A O 238 C CB . THR A 28 ? 0.7733 0.6291 0.2353 0.0371 0.1080 0.0229 90 THR A CB 239 O OG1 . THR A 28 ? 0.8106 0.7246 0.3164 -0.1006 0.1609 0.0556 90 THR A OG1 240 C CG2 . THR A 28 ? 0.7679 0.7604 0.3047 0.0417 0.0184 -0.0450 90 THR A CG2 241 N N . PRO A 29 ? 0.8203 0.7225 0.1115 -0.0599 -0.0099 -0.0271 91 PRO A N 242 C CA . PRO A 29 ? 0.8040 0.6920 0.2741 -0.1007 -0.0402 -0.0453 91 PRO A CA 243 C C . PRO A 29 ? 0.7548 0.8250 0.2985 -0.1902 0.0899 0.0141 91 PRO A C 244 O O . PRO A 29 ? 0.7585 0.7144 0.2115 -0.0070 0.0871 0.0521 91 PRO A O 245 C CB . PRO A 29 ? 0.7449 0.7460 0.3174 -0.0736 0.0641 0.0376 91 PRO A CB 246 C CG . PRO A 29 ? 0.7691 0.7818 0.3817 -0.0726 -0.0622 0.0721 91 PRO A CG 247 C CD . PRO A 29 ? 0.8253 0.6953 0.4180 -0.0558 -0.0420 0.0693 91 PRO A CD 248 N N . ASN A 30 ? 1.0882 0.8592 0.2830 -0.1913 0.0295 -0.0034 92 ASN A N 249 C CA . ASN A 30 ? 1.1129 0.9152 0.4033 -0.1305 0.1708 0.0481 92 ASN A CA 250 C C . ASN A 30 ? 1.4306 1.0605 0.2800 -0.4487 0.2009 -0.2809 92 ASN A C 251 O O . ASN A 30 ? 1.3267 1.0024 0.3780 -0.3495 0.1116 0.0486 92 ASN A O 252 C CB . ASN A 30 ? 1.0133 0.8784 0.6026 -0.0729 0.1163 -0.0693 92 ASN A CB 253 C CG . ASN A 30 ? 1.1410 0.8619 0.4186 -0.0993 0.1693 0.0420 92 ASN A CG 254 O OD1 . ASN A 30 ? 1.1602 0.8468 0.2672 -0.3178 0.1276 -0.1651 92 ASN A OD1 255 N ND2 . ASN A 30 ? 0.9871 0.7425 0.4586 -0.1498 0.2681 0.0221 92 ASN A ND2 256 N N . ALA A 31 ? 1.7099 1.2352 0.3189 -0.1175 0.1793 -0.2677 93 ALA A N 257 C CA . ALA A 31 ? 1.7826 1.6312 0.4016 -0.4243 0.1249 0.0229 93 ALA A CA 258 C C . ALA A 31 ? 1.6946 1.5198 0.4819 -0.2540 0.1630 0.1134 93 ALA A C 259 O O . ALA A 31 ? 1.4890 1.6206 0.4100 -0.6708 -0.0457 0.0867 93 ALA A O 260 C CB . ALA A 31 ? 1.5656 1.5100 0.9671 -0.2474 0.0907 -0.0462 93 ALA A CB 261 N N . ASP A 32 ? 1.7684 1.1058 0.5156 -0.5775 -0.0053 -0.0362 94 ASP A N 262 C CA . ASP A 32 ? 1.6118 1.5978 0.5748 -0.4731 0.0918 -0.2999 94 ASP A CA 263 C C . ASP A 32 ? 1.8438 1.6860 0.2140 -0.4705 0.1004 -0.1960 94 ASP A C 264 O O . ASP A 32 ? 1.8243 1.9947 0.2416 -0.3201 0.0900 -0.0118 94 ASP A O 265 C CB . ASP A 32 ? 1.7019 1.8272 0.6820 -0.3687 0.1818 -0.0234 94 ASP A CB 266 C CG . ASP A 32 ? 1.9952 1.8861 0.5063 -0.1872 0.0031 -0.0976 94 ASP A CG 267 O OD1 . ASP A 32 ? 1.8935 1.6337 0.4993 -0.0548 0.0015 -0.0490 94 ASP A OD1 268 O OD2 . ASP A 32 ? 1.6729 1.7335 0.6723 -0.3112 0.1280 -0.0909 94 ASP A OD2 269 N N . GLY A 33 ? 1.3020 1.6070 0.2939 -0.3364 -0.0349 -0.0111 95 GLY A N 270 C CA . GLY A 33 ? 1.0660 1.2551 0.1911 -0.3486 -0.1485 0.2155 95 GLY A CA 271 C C . GLY A 33 ? 0.9132 1.1477 0.2482 -0.2139 -0.1919 0.2555 95 GLY A C 272 O O . GLY A 33 ? 0.7623 1.0059 0.5221 -0.1552 -0.1951 0.1626 95 GLY A O 273 N N . LEU A 34 ? 0.8614 0.9306 0.3380 -0.1990 -0.0196 0.0018 96 LEU A N 274 C CA . LEU A 34 ? 0.7671 0.7482 0.3241 -0.1170 -0.0241 -0.1069 96 LEU A CA 275 C C . LEU A 34 ? 0.7647 0.6257 0.2569 -0.0849 -0.0069 -0.0587 96 LEU A C 276 O O . LEU A 34 ? 0.7758 0.6643 0.2316 -0.1144 0.0018 -0.0324 96 LEU A O 277 C CB . LEU A 34 ? 0.7802 0.6880 0.3682 -0.1721 0.0466 -0.0866 96 LEU A CB 278 C CG . LEU A 34 ? 0.7198 0.6684 0.4092 -0.1500 -0.0227 -0.0895 96 LEU A CG 279 C CD1 . LEU A 34 ? 0.7697 0.6040 0.3294 -0.0196 0.0798 -0.1477 96 LEU A CD1 280 C CD2 . LEU A 34 ? 0.7565 0.7116 0.3937 -0.1394 0.1839 -0.0461 96 LEU A CD2 281 N N . TYR A 35 ? 0.5756 0.4784 0.2700 -0.0010 0.0105 0.0032 97 TYR A N 282 C CA . TYR A 35 ? 0.5436 0.4880 0.2414 -0.0069 0.0024 0.0249 97 TYR A CA 283 C C . TYR A 35 ? 0.5590 0.4365 0.2624 0.0084 -0.0102 0.0025 97 TYR A C 284 O O . TYR A 35 ? 0.5686 0.4445 0.2271 0.0113 0.0024 -0.0244 97 TYR A O 285 C CB . TYR A 35 ? 0.5333 0.4837 0.2733 0.0042 -0.0233 0.0334 97 TYR A CB 286 C CG . TYR A 35 ? 0.5376 0.4791 0.2619 0.0200 0.0051 0.0357 97 TYR A CG 287 C CD1 . TYR A 35 ? 0.6042 0.5147 0.2120 -0.0140 -0.0275 0.0008 97 TYR A CD1 288 C CD2 . TYR A 35 ? 0.5592 0.4928 0.2173 -0.0356 0.0137 0.0390 97 TYR A CD2 289 C CE1 . TYR A 35 ? 0.6272 0.5374 0.2666 -0.0177 -0.0437 0.0463 97 TYR A CE1 290 C CE2 . TYR A 35 ? 0.5285 0.5727 0.2170 0.0230 0.0070 0.0303 97 TYR A CE2 291 C CZ . TYR A 35 ? 0.5716 0.5027 0.2097 0.0282 0.0013 0.0001 97 TYR A CZ 292 O OH . TYR A 35 ? 0.6487 0.5953 0.2828 0.0496 0.0000 0.0430 97 TYR A OH 293 N N . ILE A 36 ? 0.5217 0.3898 0.2366 -0.0110 0.0345 0.0295 98 ILE A N 294 C CA . ILE A 36 ? 0.4899 0.3481 0.2498 0.0163 0.0670 0.0265 98 ILE A CA 295 C C . ILE A 36 ? 0.5094 0.3841 0.2275 0.0353 0.0634 0.0113 98 ILE A C 296 O O . ILE A 36 ? 0.5493 0.3917 0.2509 -0.0092 0.0500 0.0266 98 ILE A O 297 C CB . ILE A 36 ? 0.5525 0.3616 0.3079 -0.0095 0.0946 -0.0194 98 ILE A CB 298 C CG1 . ILE A 36 ? 0.5704 0.3945 0.2621 0.0230 0.1308 -0.0428 98 ILE A CG1 299 C CG2 . ILE A 36 ? 0.5230 0.4104 0.2674 0.0382 0.0574 -0.0560 98 ILE A CG2 300 C CD1 . ILE A 36 ? 0.5081 0.4815 0.3651 0.0515 0.1482 -0.0006 98 ILE A CD1 301 N N . PHE A 37 ? 0.4951 0.3512 0.2569 0.0319 0.0650 0.0363 99 PHE A N 302 C CA . PHE A 37 ? 0.4708 0.3465 0.2320 0.0005 0.0792 0.0527 99 PHE A CA 303 C C . PHE A 37 ? 0.4942 0.3218 0.2380 -0.0012 0.0761 -0.0181 99 PHE A C 304 O O . PHE A 37 ? 0.5064 0.3187 0.2464 -0.0018 0.0854 0.0214 99 PHE A O 305 C CB . PHE A 37 ? 0.4496 0.3150 0.2323 0.0023 0.0463 0.0430 99 PHE A CB 306 C CG . PHE A 37 ? 0.4778 0.3004 0.2018 -0.0147 0.0443 0.0129 99 PHE A CG 307 C CD1 . PHE A 37 ? 0.4620 0.3083 0.2565 0.0003 0.0556 -0.0065 99 PHE A CD1 308 C CD2 . PHE A 37 ? 0.4659 0.2564 0.2538 -0.0028 0.0291 0.0257 99 PHE A CD2 309 C CE1 . PHE A 37 ? 0.4513 0.3044 0.2140 0.0196 0.0488 -0.0132 99 PHE A CE1 310 C CE2 . PHE A 37 ? 0.4611 0.3409 0.1963 -0.0126 0.0182 0.0279 99 PHE A CE2 311 C CZ . PHE A 37 ? 0.4585 0.2675 0.1882 0.0005 0.0853 -0.0030 99 PHE A CZ 312 N N . LYS A 38 ? 0.4672 0.3451 0.1799 0.0153 0.0914 -0.0052 100 LYS A N 313 C CA . LYS A 38 ? 0.4784 0.3337 0.2245 0.0077 0.0966 0.0283 100 LYS A CA 314 C C . LYS A 38 ? 0.4175 0.3324 0.2422 0.0167 0.1008 0.0244 100 LYS A C 315 O O . LYS A 38 ? 0.4634 0.3348 0.2517 0.0112 0.0840 0.0411 100 LYS A O 316 C CB . LYS A 38 ? 0.4796 0.3315 0.2501 -0.0178 0.1099 0.0119 100 LYS A CB 317 C CG . LYS A 38 ? 0.4784 0.3676 0.2460 0.0193 0.0749 0.0413 100 LYS A CG 318 C CD . LYS A 38 ? 0.5523 0.3979 0.2519 0.0400 0.1200 0.0364 100 LYS A CD 319 C CE . LYS A 38 ? 0.5422 0.4931 0.2899 0.0383 0.1162 0.0130 100 LYS A CE 320 N NZ . LYS A 38 ? 0.6061 0.5580 0.3126 0.0909 0.1333 -0.0118 100 LYS A NZ 321 N N . GLY A 39 ? 0.4386 0.3135 0.2362 0.0143 0.0983 0.0303 101 GLY A N 322 C CA . GLY A 39 ? 0.4204 0.3293 0.2774 0.0062 0.0679 0.0011 101 GLY A CA 323 C C . GLY A 39 ? 0.4492 0.3096 0.2464 -0.0115 0.0823 0.0343 101 GLY A C 324 O O . GLY A 39 ? 0.4268 0.3126 0.2183 0.0142 0.1089 0.0425 101 GLY A O 325 N N . LYS A 40 ? 0.3988 0.3030 0.2410 0.0209 0.0988 0.0049 102 LYS A N 326 C CA . LYS A 40 ? 0.4449 0.3094 0.2121 0.0245 0.1178 0.0276 102 LYS A CA 327 C C . LYS A 40 ? 0.5001 0.3184 0.2157 0.0273 0.1044 0.0248 102 LYS A C 328 O O . LYS A 40 ? 0.4552 0.3073 0.2218 0.0326 0.0979 0.0559 102 LYS A O 329 C CB . LYS A 40 ? 0.4313 0.4067 0.3506 0.0196 0.0767 0.0364 102 LYS A CB 330 C CG . LYS A 40 ? 0.4903 0.4673 0.4336 0.0146 0.1004 0.0550 102 LYS A CG 331 C CD . LYS A 40 ? 0.4560 0.6568 0.4636 0.0128 0.1186 0.0119 102 LYS A CD 332 C CE . LYS A 40 ? 0.4998 0.6667 0.5070 0.0069 0.1744 0.1170 102 LYS A CE 333 N NZ . LYS A 40 ? 0.5167 0.6222 0.6527 -0.0656 0.1333 0.0599 102 LYS A NZ 334 N N . SER A 41 ? 0.4100 0.2772 0.2454 0.0447 0.1119 0.0147 103 SER A N 335 C CA . SER A 41 ? 0.4376 0.2559 0.2256 0.0274 0.0959 0.0627 103 SER A CA 336 C C . SER A 41 ? 0.4156 0.3337 0.2692 0.0319 0.0604 0.0097 103 SER A C 337 O O . SER A 41 ? 0.4311 0.3159 0.2663 0.0223 0.0821 0.0356 103 SER A O 338 C CB . SER A 41 ? 0.4324 0.3187 0.2285 0.0075 0.1101 0.0056 103 SER A CB 339 O OG . SER A 41 ? 0.4601 0.3423 0.2494 0.0158 0.0953 -0.0009 103 SER A OG 340 N N . ILE A 42 ? 0.4139 0.2827 0.2666 0.0282 0.0920 0.0116 104 ILE A N 341 C CA . ILE A 42 ? 0.4020 0.3158 0.2623 0.0214 0.0904 0.0023 104 ILE A CA 342 C C . ILE A 42 ? 0.3903 0.3119 0.2220 0.0254 0.0485 0.0358 104 ILE A C 343 O O . ILE A 42 ? 0.4534 0.3120 0.2171 0.0100 0.0714 0.0337 104 ILE A O 344 C CB . ILE A 42 ? 0.4216 0.3911 0.2733 0.0453 0.0610 -0.0069 104 ILE A CB 345 C CG1 . ILE A 42 ? 0.4047 0.3994 0.3479 0.0111 0.1308 0.0189 104 ILE A CG1 346 C CG2 . ILE A 42 ? 0.3937 0.3607 0.3153 0.0335 0.0951 0.0331 104 ILE A CG2 347 C CD1 . ILE A 42 ? 0.4649 0.4336 0.3663 -0.0071 0.0963 0.0476 104 ILE A CD1 348 N N . VAL A 43 ? 0.3905 0.2860 0.2418 0.0267 0.0786 0.0271 105 VAL A N 349 C CA . VAL A 43 ? 0.4224 0.2785 0.2375 0.0234 0.0657 0.0114 105 VAL A CA 350 C C . VAL A 43 ? 0.4243 0.3007 0.2480 0.0060 0.0802 0.0398 105 VAL A C 351 O O . VAL A 43 ? 0.4512 0.3357 0.2390 0.0553 0.0689 0.0384 105 VAL A O 352 C CB . VAL A 43 ? 0.4414 0.2810 0.2188 -0.0122 0.0924 0.0179 105 VAL A CB 353 C CG1 . VAL A 43 ? 0.3814 0.2725 0.2407 0.0614 0.0883 0.0107 105 VAL A CG1 354 C CG2 . VAL A 43 ? 0.4181 0.2858 0.2191 0.0220 0.0692 -0.0162 105 VAL A CG2 355 N N . ARG A 44 ? 0.4071 0.3115 0.2537 0.0088 0.0760 0.0248 106 ARG A N 356 C CA . ARG A 44 ? 0.4433 0.3300 0.2619 0.0291 0.0750 0.0376 106 ARG A CA 357 C C . ARG A 44 ? 0.4474 0.3396 0.2710 0.0151 0.0859 0.0513 106 ARG A C 358 O O . ARG A 44 ? 0.4382 0.3020 0.2320 0.0302 0.0505 0.0602 106 ARG A O 359 C CB . ARG A 44 ? 0.4268 0.3545 0.2383 0.0280 0.0611 0.0163 106 ARG A CB 360 C CG . ARG A 44 ? 0.4940 0.3531 0.2885 0.0923 0.0374 -0.0260 106 ARG A CG 361 C CD . ARG A 44 ? 0.4766 0.4905 0.3222 -0.0087 0.0170 0.0532 106 ARG A CD 362 N NE . ARG A 44 ? 0.4662 0.4639 0.5213 -0.0629 0.0545 0.0754 106 ARG A NE 363 C CZ . ARG A 44 ? 0.5057 0.4337 0.4429 0.0526 0.0457 0.0437 106 ARG A CZ 364 N NH1 . ARG A 44 ? 0.4367 0.4654 0.4555 0.0514 -0.0017 -0.0317 106 ARG A NH1 365 N NH2 . ARG A 44 ? 0.5949 0.6014 0.4141 -0.0356 0.0491 0.0515 106 ARG A NH2 366 N N . PHE A 45 ? 0.4068 0.3603 0.2642 0.0384 0.0434 0.0441 107 PHE A N 367 C CA . PHE A 45 ? 0.4756 0.3495 0.2202 0.0401 0.0601 0.0409 107 PHE A CA 368 C C . PHE A 45 ? 0.4891 0.3663 0.2797 0.0597 0.0606 0.0501 107 PHE A C 369 O O . PHE A 45 ? 0.4777 0.3770 0.2304 0.0394 0.0583 0.0432 107 PHE A O 370 C CB . PHE A 45 ? 0.4521 0.3095 0.1950 0.0308 0.1044 0.0530 107 PHE A CB 371 C CG . PHE A 45 ? 0.4979 0.3424 0.2478 0.0612 0.0793 0.0451 107 PHE A CG 372 C CD1 . PHE A 45 ? 0.4600 0.3233 0.2559 0.0471 0.1465 0.0525 107 PHE A CD1 373 C CD2 . PHE A 45 ? 0.5018 0.3538 0.2564 0.0555 0.0922 0.0199 107 PHE A CD2 374 C CE1 . PHE A 45 ? 0.4851 0.3494 0.2746 0.0382 0.0938 0.0098 107 PHE A CE1 375 C CE2 . PHE A 45 ? 0.5045 0.3267 0.3183 0.0842 0.1269 0.0662 107 PHE A CE2 376 C CZ . PHE A 45 ? 0.5406 0.3356 0.2652 0.0540 0.1115 0.0635 107 PHE A CZ 377 N N . LEU A 46 ? 0.5047 0.3860 0.2713 0.0827 0.0538 -0.0073 108 LEU A N 378 C CA . LEU A 46 ? 0.4868 0.3850 0.2721 0.0676 0.0604 0.0138 108 LEU A CA 379 C C . LEU A 46 ? 0.5181 0.3839 0.2885 0.0682 0.0567 0.0258 108 LEU A C 380 O O . LEU A 46 ? 0.5141 0.4183 0.2535 0.0212 0.0360 0.0372 108 LEU A O 381 C CB . LEU A 46 ? 0.4902 0.4873 0.2544 0.0446 0.0084 0.0018 108 LEU A CB 382 C CG . LEU A 46 ? 0.6074 0.3395 0.3068 0.0218 0.0022 0.0701 108 LEU A CG 383 C CD1 . LEU A 46 ? 0.5828 0.5993 0.4222 0.1439 0.0215 -0.0508 108 LEU A CD1 384 C CD2 . LEU A 46 ? 0.5936 0.6147 0.5314 -0.0076 -0.0383 -0.1002 108 LEU A CD2 385 N N . CYS A 47 ? 0.4736 0.4144 0.1974 0.0806 0.0618 0.0555 109 CYS A N 386 C CA . CYS A 47 ? 0.5375 0.4278 0.2343 0.0923 0.1124 0.0625 109 CYS A CA 387 C C . CYS A 47 ? 0.5570 0.4523 0.2224 0.0899 0.0625 0.0656 109 CYS A C 388 O O . CYS A 47 ? 0.5393 0.4489 0.2044 0.0932 0.0782 0.0334 109 CYS A O 389 C CB . CYS A 47 ? 0.5566 0.4191 0.2299 0.0915 0.0606 0.0519 109 CYS A CB 390 S SG . CYS A 47 ? 0.5861 0.4198 0.2555 0.0901 0.1405 0.0465 109 CYS A SG 391 N N . GLN A 48 ? 0.5186 0.4460 0.2247 0.1059 0.1037 0.0593 110 GLN A N 392 C CA . GLN A 48 ? 0.5711 0.4798 0.2076 0.1223 0.1005 0.0680 110 GLN A CA 393 C C . GLN A 48 ? 0.5359 0.4842 0.2580 0.1341 0.1150 0.0808 110 GLN A C 394 O O . GLN A 48 ? 0.6625 0.5613 0.2589 0.0815 0.0755 0.0912 110 GLN A O 395 C CB . GLN A 48 ? 0.5650 0.4751 0.3343 0.1084 0.0966 0.0849 110 GLN A CB 396 C CG . GLN A 48 ? 0.5767 0.5630 0.3217 0.0753 0.0694 0.1414 110 GLN A CG 397 C CD . GLN A 48 ? 0.7458 0.5627 0.2753 0.0549 0.0916 0.0457 110 GLN A CD 398 O OE1 . GLN A 48 ? 0.7416 0.6746 0.5050 0.0052 0.1749 0.0926 110 GLN A OE1 399 N NE2 . GLN A 48 ? 0.7240 0.5257 0.2631 0.1140 0.0304 0.0409 110 GLN A NE2 400 N N . GLU A 49 ? 0.5649 0.4877 0.2187 0.1056 0.1250 0.0891 111 GLU A N 401 C CA . GLU A 49 ? 0.6006 0.4703 0.2735 0.1246 0.1460 0.1088 111 GLU A CA 402 C C . GLU A 49 ? 0.6050 0.4208 0.2824 0.1182 0.0991 0.1051 111 GLU A C 403 O O . GLU A 49 ? 0.5487 0.4479 0.2539 0.0946 0.1176 0.1009 111 GLU A O 404 C CB . GLU A 49 ? 0.5921 0.4988 0.2939 0.1140 0.0910 0.1388 111 GLU A CB 405 C CG . GLU A 49 ? 0.7020 0.5454 0.4725 0.1164 0.1482 0.0765 111 GLU A CG 406 C CD . GLU A 49 ? 0.7558 0.5760 0.7927 0.0926 0.1025 0.2245 111 GLU A CD 407 O OE1 . GLU A 49 ? 0.7869 0.6749 0.5455 0.0177 0.2898 0.2950 111 GLU A OE1 408 O OE2 . GLU A 49 ? 0.8181 0.5678 0.3870 0.1097 0.1207 0.1612 111 GLU A OE2 409 N N . PRO A 50 ? 0.6196 0.4597 0.3169 0.1320 0.0660 0.1082 112 PRO A N 410 C CA . PRO A 50 ? 0.6413 0.4658 0.3167 0.1345 0.1227 0.1460 112 PRO A CA 411 C C . PRO A 50 ? 0.6354 0.4444 0.3481 0.0950 0.1650 0.0959 112 PRO A C 412 O O . PRO A 50 ? 0.6652 0.4418 0.2346 0.1103 0.2053 0.1150 112 PRO A O 413 C CB . PRO A 50 ? 0.6488 0.4688 0.4066 0.1225 0.1331 0.1655 112 PRO A CB 414 C CG . PRO A 50 ? 0.7177 0.4955 0.3883 0.1852 0.1296 0.1689 112 PRO A CG 415 C CD . PRO A 50 ? 0.6452 0.4565 0.3856 0.1550 0.1177 0.1828 112 PRO A CD 416 N N . THR A 51 ? 0.5730 0.3350 0.3434 0.1033 0.1393 0.1573 113 THR A N 417 C CA . THR A 51 ? 0.6351 0.3726 0.3775 0.1236 0.1872 0.0920 113 THR A CA 418 C C . THR A 51 ? 0.6406 0.3672 0.3247 0.0991 0.1611 0.1097 113 THR A C 419 O O . THR A 51 ? 0.6053 0.3866 0.2984 0.0962 0.1753 0.0601 113 THR A O 420 C CB . THR A 51 ? 0.5626 0.3588 0.3687 0.0949 0.1795 0.1146 113 THR A CB 421 O OG1 . THR A 51 ? 0.5611 0.3328 0.3390 0.0696 0.1916 0.0745 113 THR A OG1 422 C CG2 . THR A 51 ? 0.5935 0.3536 0.3073 0.0656 0.1783 0.0659 113 THR A CG2 423 N N . ASP A 52 ? 0.6190 0.3187 0.3461 0.1150 0.1734 0.1283 114 ASP A N 424 C CA . ASP A 52 ? 0.5651 0.3048 0.3730 0.0404 0.2046 0.1013 114 ASP A CA 425 C C . ASP A 52 ? 0.6173 0.2892 0.3772 0.0716 0.1830 0.0955 114 ASP A C 426 O O . ASP A 52 ? 0.6239 0.3180 0.3736 0.1210 0.1774 0.0923 114 ASP A O 427 C CB . ASP A 52 ? 0.6361 0.3160 0.3510 0.1197 0.2124 0.1095 114 ASP A CB 428 C CG . ASP A 52 ? 0.6545 0.3513 0.4862 0.1100 0.1673 0.0965 114 ASP A CG 429 O OD1 . ASP A 52 ? 0.6531 0.3343 0.4529 0.0636 0.2460 0.1272 114 ASP A OD1 430 O OD2 . ASP A 52 ? 0.7128 0.3650 0.4907 0.0559 0.1723 0.1085 114 ASP A OD2 431 N N . VAL A 53 ? 0.5830 0.3328 0.3597 0.0907 0.1853 0.0647 115 VAL A N 432 C CA . VAL A 53 ? 0.5644 0.3041 0.3248 0.0598 0.1717 0.0406 115 VAL A CA 433 C C . VAL A 53 ? 0.5573 0.2993 0.3151 0.0308 0.1329 0.0657 115 VAL A C 434 O O . VAL A 53 ? 0.5775 0.2781 0.3292 0.0513 0.1528 0.0464 115 VAL A O 435 C CB . VAL A 53 ? 0.5736 0.3952 0.3389 0.0420 0.1766 0.0414 115 VAL A CB 436 C CG1 . VAL A 53 ? 0.6070 0.3212 0.3064 -0.0051 0.1783 0.0238 115 VAL A CG1 437 C CG2 . VAL A 53 ? 0.5528 0.2901 0.3535 0.0367 0.1408 0.0337 115 VAL A CG2 438 N N . ILE A 54 ? 0.5177 0.2768 0.2680 0.0547 0.1788 0.0358 116 ILE A N 439 C CA . ILE A 54 ? 0.5018 0.2526 0.2818 0.0106 0.1018 0.0387 116 ILE A CA 440 C C . ILE A 54 ? 0.4981 0.2343 0.2795 0.0427 0.1283 0.0481 116 ILE A C 441 O O . ILE A 54 ? 0.5221 0.2753 0.2918 0.0383 0.1226 0.0281 116 ILE A O 442 C CB . ILE A 54 ? 0.4669 0.2782 0.2631 0.0491 0.1251 0.0266 116 ILE A CB 443 C CG1 . ILE A 54 ? 0.5253 0.3186 0.2492 0.0416 0.1149 0.0643 116 ILE A CG1 444 C CG2 . ILE A 54 ? 0.4410 0.2543 0.2162 0.0000 0.1245 0.0604 116 ILE A CG2 445 C CD1 . ILE A 54 ? 0.4573 0.2825 0.2947 0.0877 0.1215 0.0182 116 ILE A CD1 446 N N . ILE A 55 ? 0.5111 0.2816 0.2281 0.0314 0.1524 0.0046 117 ILE A N 447 C CA . ILE A 55 ? 0.5006 0.2686 0.2564 -0.0018 0.1153 -0.0487 117 ILE A CA 448 C C . ILE A 55 ? 0.4913 0.2703 0.2713 -0.0143 0.0980 0.0134 117 ILE A C 449 O O . ILE A 55 ? 0.4861 0.2623 0.2904 0.0006 0.1152 -0.0060 117 ILE A O 450 C CB . ILE A 55 ? 0.5252 0.2488 0.2856 -0.0433 0.0788 0.0063 117 ILE A CB 451 C CG1 . ILE A 55 ? 0.5205 0.2759 0.2552 0.0612 0.1164 0.0119 117 ILE A CG1 452 C CG2 . ILE A 55 ? 0.4908 0.2549 0.3719 -0.0205 0.1107 0.0110 117 ILE A CG2 453 C CD1 . ILE A 55 ? 0.5531 0.2447 0.3527 -0.0294 0.1089 -0.0190 117 ILE A CD1 454 N N . ILE A 56 ? 0.4615 0.2643 0.2371 0.0040 0.1362 -0.0087 118 ILE A N 455 C CA . ILE A 56 ? 0.4650 0.2727 0.2618 -0.0235 0.1050 0.0185 118 ILE A CA 456 C C . ILE A 56 ? 0.4387 0.2732 0.2174 -0.0350 0.1163 0.0052 118 ILE A C 457 O O . ILE A 56 ? 0.4590 0.2285 0.2863 0.0213 0.1128 -0.0197 118 ILE A O 458 C CB . ILE A 56 ? 0.4408 0.2729 0.2336 -0.0013 0.1063 -0.0072 118 ILE A CB 459 C CG1 . ILE A 56 ? 0.4621 0.2761 0.2406 -0.0310 0.1136 0.0157 118 ILE A CG1 460 C CG2 . ILE A 56 ? 0.4656 0.3039 0.2156 -0.0142 0.1216 0.0119 118 ILE A CG2 461 C CD1 . ILE A 56 ? 0.4427 0.2548 0.2977 0.0075 0.0612 0.0193 118 ILE A CD1 462 N N . HIS A 57 ? 0.4110 0.2386 0.2260 -0.0471 0.1180 0.0198 119 HIS A N 463 C CA . HIS A 57 ? 0.4498 0.2335 0.2182 -0.0235 0.0827 -0.0028 119 HIS A CA 464 C C . HIS A 57 ? 0.4451 0.2428 0.2254 -0.0110 0.0960 -0.0193 119 HIS A C 465 O O . HIS A 57 ? 0.4413 0.2521 0.1840 -0.0051 0.0999 0.0230 119 HIS A O 466 C CB . HIS A 57 ? 0.3884 0.2295 0.2313 -0.0372 0.0605 0.0091 119 HIS A CB 467 C CG . HIS A 57 ? 0.4152 0.2884 0.2268 -0.0143 0.0896 -0.0269 119 HIS A CG 468 N ND1 . HIS A 57 ? 0.4385 0.2910 0.2638 -0.0427 0.0783 -0.0334 119 HIS A ND1 469 C CD2 . HIS A 57 ? 0.4381 0.2276 0.2375 -0.0275 0.1085 -0.0029 119 HIS A CD2 470 C CE1 . HIS A 57 ? 0.4309 0.2858 0.2442 -0.0337 0.0790 -0.0226 119 HIS A CE1 471 N NE2 . HIS A 57 ? 0.4501 0.2844 0.2355 -0.0508 0.0812 -0.0269 119 HIS A NE2 472 N N . SER A 58 ? 0.4422 0.2540 0.2249 0.0000 0.1037 -0.0247 120 SER A N 473 C CA . SER A 58 ? 0.4625 0.2845 0.2143 0.0065 0.0787 -0.0427 120 SER A CA 474 C C . SER A 58 ? 0.4451 0.3268 0.2564 -0.0300 0.0596 -0.0012 120 SER A C 475 O O . SER A 58 ? 0.4978 0.2649 0.2786 -0.0127 0.0319 -0.0173 120 SER A O 476 C CB . SER A 58 ? 0.4614 0.2537 0.2164 0.0194 0.0762 -0.0213 120 SER A CB 477 O OG . SER A 58 ? 0.4866 0.3073 0.2344 -0.0434 0.0885 -0.0258 120 SER A OG 478 N N . LYS A 59 ? 0.4391 0.2732 0.2499 -0.0343 0.0969 -0.0097 121 LYS A N 479 C CA . LYS A 59 ? 0.4798 0.3094 0.2429 -0.0111 0.0448 -0.0031 121 LYS A CA 480 C C . LYS A 59 ? 0.4366 0.3154 0.2386 -0.0367 0.0757 -0.0421 121 LYS A C 481 O O . LYS A 59 ? 0.4917 0.3099 0.2495 -0.0141 0.0834 -0.0252 121 LYS A O 482 C CB . LYS A 59 ? 0.4501 0.3460 0.2846 -0.0216 0.0694 -0.0395 121 LYS A CB 483 C CG . LYS A 59 ? 0.4867 0.3865 0.2756 -0.0208 0.0222 -0.0422 121 LYS A CG 484 C CD . LYS A 59 ? 0.4645 0.3530 0.2378 -0.0271 0.0194 -0.0322 121 LYS A CD 485 C CE . LYS A 59 ? 0.4560 0.3658 0.2999 -0.0536 0.0988 -0.0302 121 LYS A CE 486 N NZ . LYS A 59 ? 0.4614 0.2977 0.2762 -0.0335 0.0518 -0.0179 121 LYS A NZ 487 N N . LYS A 60 ? 0.4892 0.2956 0.2406 -0.0465 0.0496 -0.0220 122 LYS A N 488 C CA . LYS A 60 ? 0.4796 0.3392 0.2379 -0.0525 0.0430 -0.0371 122 LYS A CA 489 C C . LYS A 60 ? 0.4905 0.3268 0.2382 -0.0425 0.0265 -0.0475 122 LYS A C 490 O O . LYS A 60 ? 0.4614 0.3480 0.2658 -0.0401 0.0731 -0.0278 122 LYS A O 491 C CB . LYS A 60 ? 0.5190 0.3248 0.2842 -0.0557 0.0033 -0.0757 122 LYS A CB 492 C CG . LYS A 60 ? 0.4343 0.4752 0.3741 -0.0289 0.0419 0.0413 122 LYS A CG 493 C CD . LYS A 60 ? 0.5834 0.3771 0.3725 -0.0341 0.0784 -0.1164 122 LYS A CD 494 C CE . LYS A 60 ? 0.5386 0.5093 0.5063 -0.0646 -0.0034 -0.0292 122 LYS A CE 495 N NZ . LYS A 60 ? 0.6276 0.6831 0.5394 -0.0380 0.1690 0.0093 122 LYS A NZ 496 N N . LEU A 61 ? 0.4983 0.3103 0.2449 -0.0186 0.0583 -0.0229 123 LEU A N 497 C CA . LEU A 61 ? 0.5234 0.2935 0.2393 -0.0454 0.0660 -0.0270 123 LEU A CA 498 C C . LEU A 61 ? 0.5236 0.3149 0.2301 0.0070 0.0608 0.0033 123 LEU A C 499 O O . LEU A 61 ? 0.5476 0.2762 0.2157 -0.0479 0.1125 -0.0471 123 LEU A O 500 C CB . LEU A 61 ? 0.5002 0.2791 0.1884 -0.0225 0.0703 0.0041 123 LEU A CB 501 C CG . LEU A 61 ? 0.4267 0.3012 0.1993 -0.0035 0.0816 -0.0115 123 LEU A CG 502 C CD1 . LEU A 61 ? 0.4634 0.2660 0.2064 0.0337 0.0656 -0.0540 123 LEU A CD1 503 C CD2 . LEU A 61 ? 0.4278 0.2739 0.2311 0.0063 0.0362 -0.0101 123 LEU A CD2 504 N N . ASN A 62 ? 0.5238 0.3222 0.2107 -0.0045 0.0687 -0.0266 124 ASN A N 505 C CA . ASN A 62 ? 0.5301 0.3140 0.2724 0.0165 0.0463 -0.0180 124 ASN A CA 506 C C . ASN A 62 ? 0.5433 0.3143 0.2788 0.0131 0.0758 -0.0095 124 ASN A C 507 O O . ASN A 62 ? 0.4983 0.3181 0.2634 0.0082 0.0477 -0.0184 124 ASN A O 508 C CB . ASN A 62 ? 0.5506 0.3626 0.2617 -0.0067 0.0932 -0.0442 124 ASN A CB 509 C CG . ASN A 62 ? 0.6462 0.4397 0.2547 -0.0560 0.0548 -0.0513 124 ASN A CG 510 O OD1 . ASN A 62 ? 0.5989 0.4405 0.3491 -0.0687 0.0486 -0.0500 124 ASN A OD1 511 N ND2 . ASN A 62 ? 0.6502 0.4129 0.2810 -0.0242 0.0340 -0.0196 124 ASN A ND2 512 N N . TYR A 63 ? 0.5360 0.3030 0.2090 -0.0010 0.1078 -0.0024 125 TYR A N 513 C CA . TYR A 63 ? 0.5375 0.3188 0.2391 0.0343 0.1437 -0.0263 125 TYR A CA 514 C C . TYR A 63 ? 0.5859 0.3785 0.2295 0.0021 0.1551 -0.0389 125 TYR A C 515 O O . TYR A 63 ? 0.5685 0.3466 0.2590 0.0252 0.1227 -0.0365 125 TYR A O 516 C CB . TYR A 63 ? 0.4927 0.3271 0.2614 0.0470 0.1338 -0.0138 125 TYR A CB 517 C CG . TYR A 63 ? 0.5193 0.3322 0.2234 0.0279 0.1214 -0.0148 125 TYR A CG 518 C CD1 . TYR A 63 ? 0.5207 0.3136 0.2893 0.0400 0.1206 -0.0062 125 TYR A CD1 519 C CD2 . TYR A 63 ? 0.4644 0.2939 0.2678 0.0548 0.0975 -0.0100 125 TYR A CD2 520 C CE1 . TYR A 63 ? 0.5010 0.3477 0.2462 -0.0218 0.1189 -0.0304 125 TYR A CE1 521 C CE2 . TYR A 63 ? 0.4943 0.3550 0.1874 0.0127 0.0843 0.0041 125 TYR A CE2 522 C CZ . TYR A 63 ? 0.4859 0.3604 0.2020 0.0117 0.0864 0.0022 125 TYR A CZ 523 O OH . TYR A 63 ? 0.4946 0.3378 0.1946 -0.0122 0.0697 -0.0263 125 TYR A OH 524 N N . THR A 64 ? 0.5606 0.3399 0.2313 0.0207 0.1287 0.0260 126 THR A N 525 C CA . THR A 64 ? 0.5501 0.3819 0.2263 0.0551 0.1157 0.0340 126 THR A CA 526 C C . THR A 64 ? 0.5722 0.2990 0.2533 0.0430 0.1344 0.0185 126 THR A C 527 O O . THR A 64 ? 0.5993 0.3911 0.2243 0.0611 0.1337 -0.0101 126 THR A O 528 C CB . THR A 64 ? 0.5928 0.3666 0.2484 0.0512 0.1010 0.0278 126 THR A CB 529 O OG1 . THR A 64 ? 0.5722 0.3558 0.2873 0.0273 0.0957 0.0396 126 THR A OG1 530 C CG2 . THR A 64 ? 0.5582 0.4226 0.3193 0.0065 0.0804 0.0362 126 THR A CG2 531 N N . THR A 65 ? 0.5347 0.2652 0.2447 -0.0075 0.1622 0.0076 127 THR A N 532 C CA . THR A 65 ? 0.5239 0.3566 0.2556 0.0700 0.1418 0.0320 127 THR A CA 533 C C . THR A 65 ? 0.5875 0.3775 0.2957 0.0898 0.1195 -0.0099 127 THR A C 534 O O . THR A 65 ? 0.5862 0.3549 0.3247 0.0666 0.1478 0.0025 127 THR A O 535 C CB . THR A 65 ? 0.5038 0.3371 0.2488 0.0189 0.1363 -0.0026 127 THR A CB 536 O OG1 . THR A 65 ? 0.4939 0.3386 0.2508 0.0502 0.1159 0.0169 127 THR A OG1 537 C CG2 . THR A 65 ? 0.5381 0.3720 0.2553 0.0616 0.0887 0.0428 127 THR A CG2 538 N N . GLN A 66 ? 0.5657 0.3853 0.3158 0.0852 0.2010 -0.0063 128 GLN A N 539 C CA . GLN A 66 ? 0.5475 0.3846 0.4019 0.1113 0.1415 0.0605 128 GLN A CA 540 C C . GLN A 66 ? 0.5990 0.3943 0.3023 0.1339 0.1566 0.0398 128 GLN A C 541 O O . GLN A 66 ? 0.6275 0.3933 0.3422 0.0888 0.1278 0.0766 128 GLN A O 542 C CB . GLN A 66 ? 0.5666 0.4463 0.4071 0.0817 0.2297 0.0418 128 GLN A CB 543 C CG . GLN A 66 ? 0.6570 0.5151 0.5472 0.1413 0.1952 0.0122 128 GLN A CG 544 C CD . GLN A 66 ? 0.7001 0.6537 0.3564 0.0962 0.1503 0.0437 128 GLN A CD 545 O OE1 . GLN A 66 ? 0.7381 0.5545 0.4820 0.1383 0.3152 0.0504 128 GLN A OE1 546 N NE2 . GLN A 66 ? 0.6975 0.6627 0.5029 0.0454 0.0614 -0.0611 128 GLN A NE2 547 N N . GLY A 67 ? 0.5930 0.4084 0.2788 0.0977 0.1491 0.0594 129 GLY A N 548 C CA . GLY A 67 ? 0.5927 0.3614 0.3172 0.1314 0.1525 0.0508 129 GLY A CA 549 C C . GLY A 67 ? 0.6222 0.3009 0.3197 0.0916 0.1609 0.0218 129 GLY A C 550 O O . GLY A 67 ? 0.5991 0.3305 0.3278 0.1217 0.1850 0.0068 129 GLY A O 551 N N . HIS A 68 ? 0.5855 0.3136 0.3109 0.1271 0.1444 0.0296 130 HIS A N 552 C CA . HIS A 68 ? 0.5940 0.3348 0.3006 0.0780 0.1563 0.0162 130 HIS A CA 553 C C . HIS A 68 ? 0.5488 0.3473 0.2955 0.0809 0.0886 0.0499 130 HIS A C 554 O O . HIS A 68 ? 0.5492 0.3412 0.2812 0.0570 0.1547 0.0174 130 HIS A O 555 C CB . HIS A 68 ? 0.5381 0.3163 0.3103 0.1058 0.1248 0.0285 130 HIS A CB 556 C CG . HIS A 68 ? 0.6161 0.3291 0.2655 0.1219 0.1617 0.0094 130 HIS A CG 557 N ND1 . HIS A 68 ? 0.6420 0.3508 0.3264 0.1136 0.1441 0.0143 130 HIS A ND1 558 C CD2 . HIS A 68 ? 0.5879 0.3556 0.3478 0.1000 0.1777 0.0217 130 HIS A CD2 559 C CE1 . HIS A 68 ? 0.6234 0.3545 0.2948 0.0960 0.1842 0.0343 130 HIS A CE1 560 N NE2 . HIS A 68 ? 0.6494 0.3630 0.3046 0.0946 0.1637 0.0051 130 HIS A NE2 561 N N . MET A 69 ? 0.5584 0.2831 0.2557 0.0494 0.1421 0.0023 131 MET A N 562 C CA . MET A 69 ? 0.5380 0.3161 0.2867 0.0664 0.1063 0.0024 131 MET A CA 563 C C . MET A 69 ? 0.5017 0.3219 0.3096 0.0508 0.1126 0.0190 131 MET A C 564 O O . MET A 69 ? 0.4806 0.3012 0.2576 0.0424 0.0973 0.0356 131 MET A O 565 C CB . MET A 69 ? 0.5449 0.3008 0.2457 0.0197 0.1198 0.0091 131 MET A CB 566 C CG . MET A 69 ? 0.6112 0.3372 0.2956 -0.0506 0.0926 0.0163 131 MET A CG 567 S SD . MET A 69 ? 0.5822 0.3617 0.3620 0.0312 0.1233 -0.0452 131 MET A SD 568 C CE . MET A 69 ? 0.5727 0.3636 0.3770 0.0244 0.0876 -0.0625 131 MET A CE 569 N N . VAL A 70 ? 0.4703 0.3196 0.2441 0.0524 0.1469 0.0097 132 VAL A N 570 C CA . VAL A 70 ? 0.4872 0.3274 0.2733 0.0464 0.1197 0.0327 132 VAL A CA 571 C C . VAL A 70 ? 0.5362 0.3108 0.2092 0.0665 0.1233 0.0313 132 VAL A C 572 O O . VAL A 70 ? 0.5170 0.3117 0.3058 0.1110 0.1316 0.0432 132 VAL A O 573 C CB . VAL A 70 ? 0.5045 0.2964 0.2479 0.0523 0.0994 0.0097 132 VAL A CB 574 C CG1 . VAL A 70 ? 0.4974 0.2971 0.2410 0.0322 0.1433 0.0248 132 VAL A CG1 575 C CG2 . VAL A 70 ? 0.5369 0.3207 0.2855 0.0940 0.1187 0.0180 132 VAL A CG2 576 N N . VAL A 71 ? 0.4857 0.3244 0.2200 0.0524 0.1378 0.0535 133 VAL A N 577 C CA . VAL A 71 ? 0.4931 0.3407 0.2712 0.0292 0.1268 0.0283 133 VAL A CA 578 C C . VAL A 71 ? 0.4615 0.3334 0.2629 0.0487 0.1403 0.0688 133 VAL A C 579 O O . VAL A 71 ? 0.4767 0.3246 0.2579 0.0509 0.1007 0.0587 133 VAL A O 580 C CB . VAL A 71 ? 0.4687 0.4199 0.2534 0.0235 0.1263 0.0203 133 VAL A CB 581 C CG1 . VAL A 71 ? 0.5164 0.3971 0.3956 0.0608 0.0866 0.0322 133 VAL A CG1 582 C CG2 . VAL A 71 ? 0.5042 0.3654 0.2633 0.0462 0.1084 0.0335 133 VAL A CG2 583 N N . LEU A 72 ? 0.4587 0.3170 0.3141 0.0892 0.1294 0.0261 134 LEU A N 584 C CA . LEU A 72 ? 0.4718 0.3109 0.3176 0.1289 0.0991 0.0485 134 LEU A CA 585 C C . LEU A 72 ? 0.5061 0.3139 0.3016 0.1087 0.1017 0.1232 134 LEU A C 586 O O . LEU A 72 ? 0.5273 0.4456 0.3462 0.1498 0.1343 0.0358 134 LEU A O 587 C CB . LEU A 72 ? 0.4861 0.3342 0.3629 0.0988 0.1152 0.0501 134 LEU A CB 588 C CG . LEU A 72 ? 0.5785 0.3843 0.4210 0.0418 0.1550 0.0451 134 LEU A CG 589 C CD1 . LEU A 72 ? 0.5411 0.4797 0.2915 0.1349 0.1023 0.0721 134 LEU A CD1 590 C CD2 . LEU A 72 ? 0.5930 0.4239 0.3575 -0.0782 0.1073 -0.0164 134 LEU A CD2 591 N N . ARG A 73 ? 0.4863 0.3951 0.2915 0.0981 0.0964 0.0637 135 ARG A N 592 C CA . ARG A 73 ? 0.4479 0.3782 0.3067 0.1038 0.1360 0.0643 135 ARG A CA 593 C C . ARG A 73 ? 0.4540 0.4212 0.3207 0.0843 0.0961 0.0944 135 ARG A C 594 O O . ARG A 73 ? 0.4672 0.4514 0.2841 0.1058 0.1181 0.0377 135 ARG A O 595 C CB . ARG A 73 ? 0.4743 0.4599 0.2891 0.0142 0.1059 0.0759 135 ARG A CB 596 C CG . ARG A 73 ? 0.5014 0.4560 0.3612 0.0446 0.1832 0.0558 135 ARG A CG 597 C CD . ARG A 73 ? 0.5201 0.5307 0.3339 -0.0205 0.2090 0.0737 135 ARG A CD 598 N NE . ARG A 73 ? 0.5644 0.5805 0.3786 -0.0380 0.1270 0.0956 135 ARG A NE 599 C CZ . ARG A 73 ? 0.5519 0.5008 0.4123 0.0653 0.0830 0.0474 135 ARG A CZ 600 N NH1 . ARG A 73 ? 0.4385 0.6047 0.4216 0.0101 0.1596 0.1510 135 ARG A NH1 601 N NH2 . ARG A 73 ? 0.7436 0.7813 0.4510 0.0107 0.0523 -0.0382 135 ARG A NH2 602 N N . GLY A 74 ? 0.4561 0.4442 0.3546 0.1214 0.0845 0.0538 136 GLY A N 603 C CA . GLY A 74 ? 0.5178 0.4696 0.3577 0.0700 0.0285 0.0824 136 GLY A CA 604 C C . GLY A 74 ? 0.4011 0.5185 0.3411 0.0064 0.0689 0.0839 136 GLY A C 605 O O . GLY A 74 ? 0.5012 0.5521 0.2925 0.0411 0.1411 0.0716 136 GLY A O 606 N N . VAL A 75 ? 0.4486 0.4609 0.2653 0.0324 0.0542 0.1136 137 VAL A N 607 C CA . VAL A 75 ? 0.4630 0.5099 0.3383 0.0213 0.0195 0.0297 137 VAL A CA 608 C C . VAL A 75 ? 0.4392 0.5644 0.4423 0.0703 0.0402 0.0860 137 VAL A C 609 O O . VAL A 75 ? 0.4844 0.5302 0.4458 0.0997 0.0098 0.0697 137 VAL A O 610 C CB . VAL A 75 ? 0.4464 0.5098 0.4438 0.0112 0.0522 0.0003 137 VAL A CB 611 C CG1 . VAL A 75 ? 0.4123 0.5920 0.4121 -0.0173 0.0014 -0.0095 137 VAL A CG1 612 C CG2 . VAL A 75 ? 0.5457 0.5690 0.4296 0.0612 0.0038 0.0447 137 VAL A CG2 613 N N . GLY A 76 ? 0.4715 0.5394 0.5146 0.0368 -0.0266 0.0729 138 GLY A N 614 C CA . GLY A 76 ? 0.5385 0.6194 0.4633 0.0541 -0.0617 0.0470 138 GLY A CA 615 C C . GLY A 76 ? 0.5265 0.6691 0.5033 0.0699 -0.0110 0.0460 138 GLY A C 616 O O . GLY A 76 ? 0.5459 0.6812 0.4608 0.0523 0.0666 0.1089 138 GLY A O 617 N N . ASP A 77 ? 0.5020 0.7042 0.4627 0.0708 -0.0512 -0.0065 139 ASP A N 618 C CA . ASP A 77 ? 0.5014 0.6965 0.5499 0.0768 -0.0184 0.0799 139 ASP A CA 619 C C . ASP A 77 ? 0.4892 0.7280 0.4026 0.1306 0.0315 0.1925 139 ASP A C 620 O O . ASP A 77 ? 0.4926 0.6837 0.4278 0.0758 0.0043 0.1900 139 ASP A O 621 C CB . ASP A 77 ? 0.5304 0.8150 0.5329 0.1792 -0.0249 0.0448 139 ASP A CB 622 C CG . ASP A 77 ? 0.5666 0.8771 0.5248 0.0647 0.0027 0.0988 139 ASP A CG 623 O OD1 . ASP A 77 ? 0.5280 0.7683 0.6649 0.0519 -0.0122 0.0283 139 ASP A OD1 624 O OD2 . ASP A 77 ? 0.5724 1.0330 0.7689 -0.0166 -0.0408 0.1208 139 ASP A OD2 625 N N . SER A 78 ? 0.4673 0.6308 0.3579 0.1143 0.0543 0.0770 140 SER A N 626 C CA . SER A 78 ? 0.5262 0.5845 0.3425 0.1172 0.0356 0.1127 140 SER A CA 627 C C . SER A 78 ? 0.5259 0.5735 0.3389 0.0584 0.0196 0.1136 140 SER A C 628 O O . SER A 78 ? 0.4669 0.5438 0.2779 0.1164 0.0638 0.0634 140 SER A O 629 C CB . SER A 78 ? 0.4716 0.6525 0.4247 0.0578 0.0549 0.1144 140 SER A CB 630 O OG . SER A 78 ? 0.5418 0.6107 0.3448 0.1148 0.0158 0.0397 140 SER A OG 631 N N . GLN A 79 ? 0.4952 0.5825 0.3344 0.1505 0.0640 0.1470 141 GLN A N 632 C CA . GLN A 79 ? 0.4996 0.5806 0.3738 0.1485 0.0743 0.1234 141 GLN A CA 633 C C . GLN A 79 ? 0.5194 0.5095 0.3595 0.1077 0.0694 0.0818 141 GLN A C 634 O O . GLN A 79 ? 0.4841 0.5465 0.2675 0.0684 0.0660 0.1110 141 GLN A O 635 C CB . GLN A 79 ? 0.5520 0.5820 0.3267 0.1230 0.0213 0.1155 141 GLN A CB 636 C CG . GLN A 79 ? 0.5625 0.6402 0.3600 0.1560 0.0374 0.0731 141 GLN A CG 637 C CD . GLN A 79 ? 0.5345 0.5124 0.4772 0.1223 0.0829 0.0925 141 GLN A CD 638 O OE1 . GLN A 79 ? 0.5871 0.6340 0.2790 0.0713 0.1328 0.1108 141 GLN A OE1 639 N NE2 . GLN A 79 ? 0.5471 0.6494 0.3650 0.1791 0.0679 0.0445 141 GLN A NE2 640 N N . VAL A 80 ? 0.4991 0.4950 0.2949 0.1052 0.1665 0.0883 142 VAL A N 641 C CA . VAL A 80 ? 0.5127 0.4818 0.3548 0.0843 0.1138 0.0921 142 VAL A CA 642 C C . VAL A 80 ? 0.5290 0.4743 0.3552 0.1478 0.1000 0.0855 142 VAL A C 643 O O . VAL A 80 ? 0.5440 0.4329 0.3775 0.1157 0.1440 0.0802 142 VAL A O 644 C CB . VAL A 80 ? 0.4806 0.4499 0.4288 0.0968 0.0918 0.0925 142 VAL A CB 645 C CG1 . VAL A 80 ? 0.5689 0.5294 0.2861 0.0815 0.0001 0.1491 142 VAL A CG1 646 C CG2 . VAL A 80 ? 0.5645 0.5543 0.5203 0.1756 0.0161 0.1124 142 VAL A CG2 647 N N . PRO A 81 ? 0.5386 0.3905 0.3661 0.1562 0.1773 0.0989 143 PRO A N 648 C CA . PRO A 81 ? 0.5472 0.4303 0.3782 0.1114 0.1179 0.0431 143 PRO A CA 649 C C . PRO A 81 ? 0.5082 0.3819 0.3542 0.0948 0.1497 0.0807 143 PRO A C 650 O O . PRO A 81 ? 0.5287 0.3753 0.2525 0.1004 0.1584 0.0656 143 PRO A O 651 C CB . PRO A 81 ? 0.6428 0.4338 0.3237 0.0858 0.1580 0.0345 143 PRO A CB 652 C CG . PRO A 81 ? 0.6131 0.4058 0.3867 0.1268 0.1789 0.0334 143 PRO A CG 653 C CD . PRO A 81 ? 0.5834 0.4092 0.3057 0.1302 0.1969 0.0603 143 PRO A CD 654 N N . GLU A 82 ? 0.4868 0.3888 0.3916 0.1606 0.1993 0.0829 144 GLU A N 655 C CA . GLU A 82 ? 0.5654 0.4525 0.3668 0.1705 0.1778 0.0307 144 GLU A CA 656 C C . GLU A 82 ? 0.5680 0.3559 0.3443 0.1402 0.1572 0.0046 144 GLU A C 657 O O . GLU A 82 ? 0.5803 0.4256 0.3375 0.1185 0.1580 0.0667 144 GLU A O 658 C CB . GLU A 82 ? 0.6130 0.4583 0.3706 0.1784 0.1707 0.0407 144 GLU A CB 659 C CG . GLU A 82 ? 0.6306 0.5286 0.4473 0.1954 0.1250 -0.0299 144 GLU A CG 660 C CD . GLU A 82 ? 0.7704 0.4932 0.6684 0.1738 0.3239 0.0247 144 GLU A CD 661 O OE1 . GLU A 82 ? 0.7374 0.4969 0.7440 0.1451 0.2905 0.0385 144 GLU A OE1 662 O OE2 . GLU A 82 ? 0.7345 0.7676 0.8732 0.1485 0.3689 -0.0943 144 GLU A OE2 663 N N . ILE A 83 ? 0.6012 0.2850 0.3485 0.1328 0.1863 0.0480 145 ILE A N 664 C CA . ILE A 83 ? 0.6217 0.3194 0.3547 0.0964 0.1282 0.0251 145 ILE A CA 665 C C . ILE A 83 ? 0.6164 0.3358 0.2984 0.0982 0.1426 0.0052 145 ILE A C 666 O O . ILE A 83 ? 0.5649 0.2521 0.4468 0.1485 0.1918 0.0365 145 ILE A O 667 C CB . ILE A 83 ? 0.5927 0.2964 0.3827 0.0876 0.1501 0.0401 145 ILE A CB 668 C CG1 . ILE A 83 ? 0.5748 0.3414 0.3390 0.0325 0.1177 0.0247 145 ILE A CG1 669 C CG2 . ILE A 83 ? 0.5968 0.2543 0.4167 0.1367 0.1351 0.0319 145 ILE A CG2 670 C CD1 . ILE A 83 ? 0.5723 0.3160 0.3923 0.0529 0.1872 0.0535 145 ILE A CD1 671 N N . ASP A 84 ? 0.6337 0.3039 0.3493 0.0917 0.2293 0.0424 146 ASP A N 672 C CA . ASP A 84 ? 0.6345 0.3260 0.4008 0.1033 0.2018 0.0284 146 ASP A CA 673 C C . ASP A 84 ? 0.6377 0.2744 0.3820 0.0455 0.1992 0.0316 146 ASP A C 674 O O . ASP A 84 ? 0.6641 0.3062 0.3987 0.1507 0.1652 0.0173 146 ASP A O 675 C CB . ASP A 84 ? 0.6691 0.2597 0.4529 0.0746 0.1661 0.0358 146 ASP A CB 676 C CG . ASP A 84 ? 0.6756 0.3081 0.5696 0.1072 0.1507 -0.0409 146 ASP A CG 677 O OD1 . ASP A 84 ? 0.8126 0.3167 0.5451 0.1378 0.2439 0.0212 146 ASP A OD1 678 O OD2 . ASP A 84 ? 0.7764 0.3638 0.6759 0.0360 0.0953 0.0093 146 ASP A OD2 679 N N . ARG A 85 ? 0.6339 0.2894 0.3767 0.0685 0.1856 0.0362 147 ARG A N 680 C CA . ARG A 85 ? 0.6686 0.2713 0.3316 0.0596 0.1808 -0.0038 147 ARG A CA 681 C C . ARG A 85 ? 0.6223 0.2844 0.3615 0.0635 0.1538 -0.0201 147 ARG A C 682 O O . ARG A 85 ? 0.6321 0.2786 0.3483 0.0700 0.1543 -0.0041 147 ARG A O 683 C CB . ARG A 85 ? 0.6229 0.3237 0.4332 0.0419 0.1569 -0.0568 147 ARG A CB 684 C CG . ARG A 85 ? 0.7301 0.3351 0.4304 0.0302 0.1908 -0.0265 147 ARG A CG 685 C CD . ARG A 85 ? 0.6987 0.3917 0.5048 -0.0038 0.1485 -0.0073 147 ARG A CD 686 N NE . ARG A 85 ? 0.7962 0.3955 0.4436 0.0151 0.1478 0.0655 147 ARG A NE 687 C CZ . ARG A 85 ? 0.7767 0.5785 0.4531 0.0242 0.1670 0.0427 147 ARG A CZ 688 N NH1 . ARG A 85 ? 0.7658 0.3987 0.6129 0.0756 0.1233 -0.0292 147 ARG A NH1 689 N NH2 . ARG A 85 ? 0.8275 0.6196 0.6226 -0.0871 0.2573 0.0049 147 ARG A NH2 690 N N . THR A 86 ? 0.5721 0.2644 0.3047 0.0329 0.1938 -0.0264 148 THR A N 691 C CA . THR A 86 ? 0.6239 0.2686 0.2932 0.0577 0.0897 -0.0629 148 THR A CA 692 C C . THR A 86 ? 0.5988 0.3106 0.3246 0.0333 0.1092 -0.0581 148 THR A C 693 O O . THR A 86 ? 0.6396 0.2883 0.3354 0.0208 0.1481 -0.0751 148 THR A O 694 C CB . THR A 86 ? 0.5883 0.2727 0.2604 0.0899 0.1139 -0.0388 148 THR A CB 695 O OG1 . THR A 86 ? 0.6094 0.2731 0.2580 0.0635 0.1501 0.0222 148 THR A OG1 696 C CG2 . THR A 86 ? 0.5815 0.3270 0.3204 0.0511 0.1381 -0.0277 148 THR A CG2 697 N N . GLU A 87 ? 0.6215 0.2995 0.2880 0.0076 0.1392 -0.0713 149 GLU A N 698 C CA . GLU A 87 ? 0.6168 0.3089 0.3557 0.0052 0.1417 -0.0521 149 GLU A CA 699 C C . GLU A 87 ? 0.6011 0.2643 0.3338 -0.0126 0.0906 -0.0729 149 GLU A C 700 O O . GLU A 87 ? 0.6014 0.2637 0.3175 -0.0150 0.1557 -0.0756 149 GLU A O 701 C CB . GLU A 87 ? 0.6909 0.3517 0.3872 -0.0307 0.1135 -0.0010 149 GLU A CB 702 C CG . GLU A 87 ? 0.7340 0.3204 0.4418 -0.0500 0.1614 -0.0748 149 GLU A CG 703 C CD . GLU A 87 ? 0.7158 0.4246 0.4427 -0.1263 0.0343 0.0430 149 GLU A CD 704 O OE1 . GLU A 87 ? 0.8093 0.4435 0.5313 -0.1895 0.0315 -0.0514 149 GLU A OE1 705 O OE2 . GLU A 87 ? 0.7344 0.3689 0.4135 -0.0718 0.0831 0.0650 149 GLU A OE2 706 N N . LEU A 88 ? 0.5846 0.2400 0.3202 -0.0355 0.1043 -0.0639 150 LEU A N 707 C CA . LEU A 88 ? 0.5503 0.2766 0.3218 -0.0371 0.1139 -0.0624 150 LEU A CA 708 C C . LEU A 88 ? 0.5481 0.3244 0.3164 -0.0605 0.0967 -0.0831 150 LEU A C 709 O O . LEU A 88 ? 0.5768 0.2810 0.3653 -0.1131 0.1431 -0.0668 150 LEU A O 710 C CB . LEU A 88 ? 0.5202 0.2687 0.3314 -0.0369 0.1173 -0.0440 150 LEU A CB 711 C CG . LEU A 88 ? 0.5418 0.3114 0.2949 -0.0464 0.1260 -0.0257 150 LEU A CG 712 C CD1 . LEU A 88 ? 0.5290 0.3709 0.2635 -0.0218 0.1164 -0.0515 150 LEU A CD1 713 C CD2 . LEU A 88 ? 0.5716 0.3018 0.3059 -0.0579 0.0786 -0.0202 150 LEU A CD2 714 N N . VAL A 89 ? 0.5491 0.3340 0.3294 -0.0230 0.1138 -0.0390 151 VAL A N 715 C CA . VAL A 89 ? 0.5913 0.2658 0.3384 -0.0552 0.1196 -0.0502 151 VAL A CA 716 C C . VAL A 89 ? 0.4627 0.3223 0.3095 -0.0988 0.1511 -0.0796 151 VAL A C 717 O O . VAL A 89 ? 0.4963 0.2747 0.3505 -0.0545 0.1123 -0.0799 151 VAL A O 718 C CB . VAL A 89 ? 0.5864 0.2768 0.3774 -0.0573 0.1035 -0.0188 151 VAL A CB 719 C CG1 . VAL A 89 ? 0.5503 0.2979 0.4015 -0.0395 0.1168 -0.0338 151 VAL A CG1 720 C CG2 . VAL A 89 ? 0.6004 0.2785 0.3769 -0.0585 0.1124 -0.0116 151 VAL A CG2 721 N N . GLU A 90 ? 0.5124 0.3704 0.3060 -0.0746 0.1166 -0.0735 152 GLU A N 722 C CA . GLU A 90 ? 0.5527 0.3781 0.3031 -0.0654 0.0885 -0.0484 152 GLU A CA 723 C C . GLU A 90 ? 0.5329 0.3422 0.3155 -0.0935 0.0768 -0.0934 152 GLU A C 724 O O . GLU A 90 ? 0.5535 0.3192 0.3144 -0.0617 0.0895 -0.0303 152 GLU A O 725 C CB . GLU A 90 ? 0.5936 0.4804 0.3301 -0.0926 0.0865 -0.1144 152 GLU A CB 726 C CG . GLU A 90 ? 0.6213 0.4679 0.3188 -0.0680 0.0714 -0.0749 152 GLU A CG 727 C CD . GLU A 90 ? 0.6628 0.6142 0.3434 -0.2166 0.0656 -0.0660 152 GLU A CD 728 O OE1 . GLU A 90 ? 0.6376 0.6974 0.3932 -0.1302 0.0064 -0.1183 152 GLU A OE1 729 O OE2 . GLU A 90 ? 0.6466 0.5799 0.3571 -0.0750 0.1053 -0.0839 152 GLU A OE2 730 N N . LEU A 91 ? 0.5784 0.2606 0.3668 -0.0820 0.0953 -0.1056 153 LEU A N 731 C CA . LEU A 91 ? 0.5396 0.3560 0.3856 -0.1492 0.0976 -0.0559 153 LEU A CA 732 C C . LEU A 91 ? 0.5213 0.3204 0.3605 -0.1113 0.1488 -0.0412 153 LEU A C 733 O O . LEU A 91 ? 0.5299 0.3102 0.3702 -0.0781 0.1021 -0.0415 153 LEU A O 734 C CB . LEU A 91 ? 0.5774 0.3285 0.4056 -0.1083 0.0863 -0.0449 153 LEU A CB 735 C CG . LEU A 91 ? 0.5673 0.4068 0.4298 -0.0785 0.0864 -0.0068 153 LEU A CG 736 C CD1 . LEU A 91 ? 0.5839 0.5142 0.4155 -0.0415 0.0924 -0.0089 153 LEU A CD1 737 C CD2 . LEU A 91 ? 0.5729 0.3743 0.5738 -0.1386 0.1342 -0.0686 153 LEU A CD2 738 N N . THR A 92 ? 0.4920 0.2827 0.3111 -0.1276 0.1332 -0.0390 154 THR A N 739 C CA . THR A 92 ? 0.4991 0.2989 0.2892 -0.0938 0.1261 -0.0437 154 THR A CA 740 C C . THR A 92 ? 0.4787 0.2527 0.3015 -0.0472 0.0714 0.0003 154 THR A C 741 O O . THR A 92 ? 0.4774 0.2861 0.2900 -0.0832 0.1241 0.0009 154 THR A O 742 C CB . THR A 92 ? 0.4743 0.2853 0.3669 -0.0669 0.1142 -0.0486 154 THR A CB 743 O OG1 . THR A 92 ? 0.5416 0.2565 0.4053 -0.0447 0.1319 -0.0507 154 THR A OG1 744 C CG2 . THR A 92 ? 0.5502 0.2544 0.3054 -0.1187 0.0960 -0.0460 154 THR A CG2 745 N N . GLU A 93 ? 0.4516 0.2739 0.3057 -0.0560 0.1104 -0.0724 155 GLU A N 746 C CA . GLU A 93 ? 0.4771 0.2970 0.2544 -0.0363 0.0907 -0.0026 155 GLU A CA 747 C C . GLU A 93 ? 0.4908 0.2706 0.2179 -0.0556 0.1062 0.0094 155 GLU A C 748 O O . GLU A 93 ? 0.4441 0.2861 0.2373 -0.0244 0.1200 -0.0411 155 GLU A O 749 C CB . GLU A 93 ? 0.4576 0.2783 0.2807 -0.0452 0.1035 -0.0047 155 GLU A CB 750 C CG . GLU A 93 ? 0.4886 0.2918 0.3598 -0.0285 0.0676 -0.0403 155 GLU A CG 751 C CD . GLU A 93 ? 0.4626 0.3083 0.2992 -0.0304 0.0570 -0.0607 155 GLU A CD 752 O OE1 . GLU A 93 ? 0.4474 0.2749 0.2887 -0.0502 0.0461 -0.0309 155 GLU A OE1 753 O OE2 . GLU A 93 ? 0.4875 0.3608 0.3564 -0.0526 0.0047 -0.1177 155 GLU A OE2 754 N N . TYR A 94 ? 0.4717 0.2951 0.2459 -0.0517 0.1201 -0.0040 156 TYR A N 755 C CA . TYR A 94 ? 0.4736 0.3012 0.2775 -0.0438 0.1300 -0.0052 156 TYR A CA 756 C C . TYR A 94 ? 0.4953 0.2674 0.2593 -0.0320 0.1025 -0.0123 156 TYR A C 757 O O . TYR A 94 ? 0.5197 0.2753 0.2480 -0.0127 0.1551 -0.0512 156 TYR A O 758 C CB . TYR A 94 ? 0.5110 0.2803 0.2559 0.0076 0.0914 -0.0517 156 TYR A CB 759 C CG . TYR A 94 ? 0.4865 0.2926 0.2422 -0.0096 0.0888 -0.0113 156 TYR A CG 760 C CD1 . TYR A 94 ? 0.5001 0.2694 0.2626 -0.0261 0.1186 -0.0181 156 TYR A CD1 761 C CD2 . TYR A 94 ? 0.4421 0.2941 0.3204 -0.0152 0.1181 -0.0125 156 TYR A CD2 762 C CE1 . TYR A 94 ? 0.4643 0.2893 0.2455 -0.0242 0.1008 0.0152 156 TYR A CE1 763 C CE2 . TYR A 94 ? 0.5756 0.2812 0.2743 -0.0376 0.1116 -0.0034 156 TYR A CE2 764 C CZ . TYR A 94 ? 0.5005 0.2754 0.2938 -0.0682 0.1198 -0.0147 156 TYR A CZ 765 O OH . TYR A 94 ? 0.5058 0.2675 0.2859 -0.0380 0.1241 0.0168 156 TYR A OH 766 N N . LEU A 95 ? 0.4843 0.3022 0.2256 -0.0436 0.1306 0.0172 157 LEU A N 767 C CA . LEU A 95 ? 0.5029 0.2367 0.2756 -0.0293 0.0987 -0.0076 157 LEU A CA 768 C C . LEU A 95 ? 0.4770 0.2401 0.2863 -0.0606 0.0767 -0.0290 157 LEU A C 769 O O . LEU A 95 ? 0.4752 0.2315 0.2384 -0.0200 0.1070 -0.0158 157 LEU A O 770 C CB . LEU A 95 ? 0.4871 0.2663 0.2290 -0.0160 0.1458 -0.0151 157 LEU A CB 771 C CG . LEU A 95 ? 0.4951 0.2508 0.2762 -0.0062 0.0881 -0.0204 157 LEU A CG 772 C CD1 . LEU A 95 ? 0.4656 0.3400 0.2321 0.0162 0.1526 -0.0312 157 LEU A CD1 773 C CD2 . LEU A 95 ? 0.4086 0.3104 0.2862 -0.0100 0.1023 -0.0029 157 LEU A CD2 774 N N . VAL A 96 ? 0.5439 0.2660 0.3080 -0.0095 0.0975 -0.0127 158 VAL A N 775 C CA . VAL A 96 ? 0.5185 0.2627 0.3294 -0.0206 0.0821 -0.0034 158 VAL A CA 776 C C . VAL A 96 ? 0.5845 0.3021 0.3270 -0.0102 0.1153 -0.0341 158 VAL A C 777 O O . VAL A 96 ? 0.5635 0.3039 0.3060 0.0382 0.1212 0.0024 158 VAL A O 778 C CB . VAL A 96 ? 0.5466 0.2235 0.3463 -0.0019 0.0959 -0.0034 158 VAL A CB 779 C CG1 . VAL A 96 ? 0.5652 0.2604 0.3141 0.0140 0.1500 0.0014 158 VAL A CG1 780 C CG2 . VAL A 96 ? 0.5370 0.3081 0.3248 -0.0125 0.1566 -0.0236 158 VAL A CG2 781 N N . VAL A 97 ? 0.5315 0.2215 0.3284 0.0148 0.1303 0.0353 159 VAL A N 782 C CA . VAL A 97 ? 0.5508 0.2912 0.3319 0.0369 0.1026 0.0008 159 VAL A CA 783 C C . VAL A 97 ? 0.5353 0.2869 0.3245 -0.0006 0.1336 0.0130 159 VAL A C 784 O O . VAL A 97 ? 0.5565 0.2887 0.3111 0.0712 0.1384 -0.0114 159 VAL A O 785 C CB . VAL A 97 ? 0.5356 0.2985 0.3129 0.0382 0.1014 0.0369 159 VAL A CB 786 C CG1 . VAL A 97 ? 0.5639 0.3027 0.2554 0.0420 0.1098 -0.0234 159 VAL A CG1 787 C CG2 . VAL A 97 ? 0.5234 0.2815 0.3287 0.0386 0.1197 0.0260 159 VAL A CG2 788 N N . HIS A 98 ? 0.5515 0.2886 0.2787 0.0592 0.1698 -0.0056 160 HIS A N 789 C CA . HIS A 98 ? 0.5956 0.2981 0.3717 0.0539 0.1855 0.0207 160 HIS A CA 790 C C . HIS A 98 ? 0.6112 0.2855 0.3793 0.0485 0.1553 0.0269 160 HIS A C 791 O O . HIS A 98 ? 0.6209 0.2612 0.3891 0.0720 0.1778 -0.0046 160 HIS A O 792 C CB . HIS A 98 ? 0.6035 0.3085 0.3382 0.0686 0.1884 -0.0057 160 HIS A CB 793 C CG . HIS A 98 ? 0.6356 0.3740 0.3478 -0.0033 0.1470 -0.0024 160 HIS A CG 794 N ND1 . HIS A 98 ? 0.6230 0.2580 0.3915 0.0787 0.1451 0.1033 160 HIS A ND1 795 C CD2 . HIS A 98 ? 0.6370 0.3131 0.3834 0.0875 0.1985 0.0449 160 HIS A CD2 796 C CE1 . HIS A 98 ? 0.6668 0.3336 0.4433 -0.0280 0.1035 0.0680 160 HIS A CE1 797 N NE2 . HIS A 98 ? 0.6508 0.2525 0.4296 0.0220 0.1581 0.0258 160 HIS A NE2 798 N N . LEU A 99 ? 0.6240 0.3007 0.3354 0.0852 0.2123 0.0125 161 LEU A N 799 C CA . LEU A 99 ? 0.6447 0.3360 0.3560 0.1013 0.1627 0.0735 161 LEU A CA 800 C C . LEU A 99 ? 0.6634 0.3257 0.4094 0.1203 0.1765 0.0363 161 LEU A C 801 O O . LEU A 99 ? 0.7188 0.2997 0.4164 0.1343 0.2087 0.0803 161 LEU A O 802 C CB . LEU A 99 ? 0.5539 0.3012 0.3640 0.1031 0.1681 0.0676 161 LEU A CB 803 C CG . LEU A 99 ? 0.5637 0.2997 0.3551 0.0921 0.1486 0.0855 161 LEU A CG 804 C CD1 . LEU A 99 ? 0.4874 0.3474 0.3320 0.1030 0.1298 0.0510 161 LEU A CD1 805 C CD2 . LEU A 99 ? 0.5170 0.3036 0.3381 0.0420 0.1693 0.0253 161 LEU A CD2 806 N N . LYS A 100 ? 0.6686 0.3579 0.3440 0.1651 0.1860 0.0301 162 LYS A N 807 C CA . LYS A 100 ? 0.7166 0.3465 0.3725 0.1768 0.2295 0.0524 162 LYS A CA 808 C C . LYS A 100 ? 0.6678 0.3720 0.4841 0.1991 0.1599 0.0874 162 LYS A C 809 O O . LYS A 100 ? 0.7252 0.3835 0.4067 0.1732 0.1373 0.1140 162 LYS A O 810 C CB . LYS A 100 ? 0.6872 0.3817 0.4283 0.1245 0.2328 0.0832 162 LYS A CB 811 C CG . LYS A 100 ? 0.7300 0.3537 0.4606 0.1316 0.2002 0.0776 162 LYS A CG 812 C CD . LYS A 100 ? 0.7176 0.5793 0.4937 0.1403 0.2166 -0.0381 162 LYS A CD 813 C CE . LYS A 100 ? 0.8030 0.5673 0.5809 0.0799 0.0177 0.1704 162 LYS A CE 814 N NZ . LYS A 100 ? 0.9748 0.5438 0.7546 0.0385 -0.0565 0.0751 162 LYS A NZ 815 N N . GLY A 101 ? 0.6852 0.3732 0.4161 0.1295 0.1914 0.0844 163 GLY A N 816 C CA . GLY A 101 ? 0.5738 0.4084 0.3759 0.1294 0.2205 0.1290 163 GLY A CA 817 C C . GLY A 101 ? 0.6836 0.4190 0.4094 0.1794 0.1676 0.1140 163 GLY A C 818 O O . GLY A 101 ? 0.6714 0.4178 0.3608 0.1277 0.1514 0.1294 163 GLY A O 819 N N . SER A 102 ? 0.6250 0.4148 0.4157 0.1731 0.1481 0.1318 164 SER A N 820 C CA . SER A 102 ? 0.6415 0.4323 0.3408 0.1108 0.1684 0.0962 164 SER A CA 821 C C . SER A 102 ? 0.6236 0.4361 0.3313 0.1503 0.1679 0.1157 164 SER A C 822 O O . SER A 102 ? 0.5896 0.4156 0.3924 0.1567 0.1732 0.1168 164 SER A O 823 C CB . SER A 102 ? 0.7052 0.4348 0.3999 0.0388 0.1682 0.1764 164 SER A CB 824 O OG . SER A 102 ? 0.6982 0.4125 0.4386 0.0743 0.2036 0.1328 164 SER A OG 825 N N . LEU A 103 ? 0.5983 0.4207 0.2630 0.1246 0.1359 0.1161 165 LEU A N 826 C CA . LEU A 103 ? 0.5210 0.4480 0.3128 0.1108 0.1646 0.1417 165 LEU A CA 827 C C . LEU A 103 ? 0.5550 0.4422 0.3286 0.1233 0.1301 0.1259 165 LEU A C 828 O O . LEU A 103 ? 0.6229 0.3874 0.2983 0.1295 0.1607 0.1218 165 LEU A O 829 C CB . LEU A 103 ? 0.5206 0.3818 0.2971 0.0853 0.1251 0.1187 165 LEU A CB 830 C CG . LEU A 103 ? 0.4934 0.3945 0.2896 0.0774 0.1391 0.1064 165 LEU A CG 831 C CD1 . LEU A 103 ? 0.5200 0.3676 0.2470 0.0866 0.1172 0.1084 165 LEU A CD1 832 C CD2 . LEU A 103 ? 0.5324 0.3963 0.2246 0.1186 0.1626 0.0973 165 LEU A CD2 833 N N . GLN A 104 ? 0.5604 0.4488 0.2896 0.1431 0.1135 0.1035 166 GLN A N 834 C CA . GLN A 104 ? 0.5720 0.4688 0.3122 0.1365 0.0806 0.1303 166 GLN A CA 835 C C . GLN A 104 ? 0.5472 0.4984 0.2739 0.1543 0.0462 0.1101 166 GLN A C 836 O O . GLN A 104 ? 0.5702 0.4606 0.2371 0.1382 0.1241 0.1000 166 GLN A O 837 C CB . GLN A 104 ? 0.5759 0.5053 0.3987 0.2033 0.0818 0.1241 166 GLN A CB 838 C CG . GLN A 104 ? 0.6605 0.5534 0.4628 0.1563 0.0838 0.1149 166 GLN A CG 839 C CD . GLN A 104 ? 0.7489 0.6609 0.4603 0.0694 -0.0501 0.1963 166 GLN A CD 840 O OE1 . GLN A 104 ? 0.7275 0.6292 0.3348 0.1120 0.1367 0.2131 166 GLN A OE1 841 N NE2 . GLN A 104 ? 0.9599 0.5116 0.6110 0.0646 -0.1326 0.2168 166 GLN A NE2 842 N N . PRO A 105 ? 0.5325 0.5380 0.2778 0.1438 0.0501 0.0917 167 PRO A N 843 C CA . PRO A 105 ? 0.5469 0.5494 0.2588 0.1578 0.1016 0.0990 167 PRO A CA 844 C C . PRO A 105 ? 0.5945 0.5445 0.2647 0.1619 0.0938 0.1282 167 PRO A C 845 O O . PRO A 105 ? 0.5715 0.5265 0.2217 0.1137 0.1341 0.1039 167 PRO A O 846 C CB . PRO A 105 ? 0.6018 0.5635 0.2723 0.1339 0.1398 0.0915 167 PRO A CB 847 C CG . PRO A 105 ? 0.6767 0.5814 0.2757 0.1215 0.1744 0.1141 167 PRO A CG 848 C CD . PRO A 105 ? 0.5905 0.6469 0.1984 0.1359 0.1016 0.1526 167 PRO A CD 849 N N . GLY A 106 ? 0.5245 0.5368 0.2073 0.1618 0.1041 0.0844 168 GLY A N 850 C CA . GLY A 106 ? 0.4380 0.6097 0.2975 0.1710 0.0849 0.0147 168 GLY A CA 851 C C . GLY A 106 ? 0.6207 0.5673 0.2441 0.0876 0.0081 0.0920 168 GLY A C 852 O O . GLY A 106 ? 0.5775 0.5138 0.2133 0.1111 0.0763 0.0328 168 GLY A O 853 N N . HIS A 107 ? 0.4732 0.5324 0.2565 0.1068 0.0261 0.0775 169 HIS A N 854 C CA . HIS A 107 ? 0.5674 0.4972 0.2669 0.1114 0.0389 0.1041 169 HIS A CA 855 C C . HIS A 107 ? 0.5371 0.4908 0.2472 0.0781 0.0004 0.0704 169 HIS A C 856 O O . HIS A 107 ? 0.5062 0.4002 0.2430 0.0634 0.0402 0.0951 169 HIS A O 857 C CB . HIS A 107 ? 0.5365 0.4804 0.2276 0.0917 0.0780 0.1441 169 HIS A CB 858 C CG . HIS A 107 ? 0.5392 0.6069 0.2970 0.1561 0.0634 0.1057 169 HIS A CG 859 N ND1 . HIS A 107 ? 0.5470 0.5641 0.3096 0.1268 0.1009 0.1553 169 HIS A ND1 860 C CD2 . HIS A 107 ? 0.5539 0.5130 0.2800 0.1470 -0.0258 0.0697 169 HIS A CD2 861 C CE1 . HIS A 107 ? 0.6251 0.6115 0.2982 0.2449 0.0646 0.0620 169 HIS A CE1 862 N NE2 . HIS A 107 ? 0.5558 0.6334 0.2886 0.1634 0.0643 0.1072 169 HIS A NE2 863 N N . MET A 108 ? 0.5022 0.4727 0.2665 0.0937 0.0301 0.0243 170 MET A N 864 C CA . MET A 108 ? 0.4852 0.4246 0.2825 0.0738 0.0613 0.0646 170 MET A CA 865 C C . MET A 108 ? 0.4858 0.3888 0.3187 0.0608 0.0242 0.0185 170 MET A C 866 O O . MET A 108 ? 0.5085 0.4223 0.2170 0.0772 0.0335 0.0418 170 MET A O 867 C CB . MET A 108 ? 0.4968 0.4584 0.3663 0.0228 0.0520 -0.0048 170 MET A CB 868 C CG . MET A 108 ? 0.6415 0.5953 0.3790 0.1160 0.0575 0.0206 170 MET A CG 869 S SD . MET A 108 ? 0.6756 0.5894 0.5483 0.0225 0.0995 -0.0216 170 MET A SD 870 C CE . MET A 108 ? 0.6189 0.6909 0.5045 0.0735 0.0142 0.0160 170 MET A CE 871 N N . TYR A 109 ? 0.4508 0.4265 0.2778 0.0552 0.0364 0.0416 171 TYR A N 872 C CA . TYR A 109 ? 0.4422 0.3906 0.2958 0.0678 0.0710 0.0649 171 TYR A CA 873 C C . TYR A 109 ? 0.4359 0.3954 0.2780 0.0514 0.0649 0.0771 171 TYR A C 874 O O . TYR A 109 ? 0.4498 0.3558 0.2394 0.0485 0.0740 0.0546 171 TYR A O 875 C CB . TYR A 109 ? 0.4577 0.3725 0.2663 0.0630 0.0789 0.0522 171 TYR A CB 876 C CG . TYR A 109 ? 0.4633 0.3964 0.2991 0.0637 0.0788 0.0649 171 TYR A CG 877 C CD1 . TYR A 109 ? 0.4510 0.3813 0.3021 0.0343 0.1545 0.1290 171 TYR A CD1 878 C CD2 . TYR A 109 ? 0.4714 0.4376 0.2868 0.0599 0.0790 0.0745 171 TYR A CD2 879 C CE1 . TYR A 109 ? 0.5271 0.4100 0.2892 0.0646 0.0837 0.0680 171 TYR A CE1 880 C CE2 . TYR A 109 ? 0.5048 0.3936 0.3721 0.1074 0.0792 0.0616 171 TYR A CE2 881 C CZ . TYR A 109 ? 0.5222 0.4282 0.3249 0.1102 0.1207 0.1071 171 TYR A CZ 882 O OH . TYR A 109 ? 0.4844 0.4264 0.2318 0.1112 0.1694 0.0699 171 TYR A OH 883 N N . GLU A 110 ? 0.4536 0.4003 0.2741 0.0748 0.0744 0.0426 172 GLU A N 884 C CA . GLU A 110 ? 0.4676 0.3538 0.3114 0.0421 0.0587 0.0442 172 GLU A CA 885 C C . GLU A 110 ? 0.4699 0.3667 0.2529 0.0674 0.0625 0.0469 172 GLU A C 886 O O . GLU A 110 ? 0.4613 0.4074 0.3087 0.1028 0.0826 0.0351 172 GLU A O 887 C CB . GLU A 110 ? 0.4432 0.3741 0.3285 0.0567 0.0402 0.0783 172 GLU A CB 888 C CG . GLU A 110 ? 0.4890 0.4411 0.4078 -0.0296 0.0655 0.0415 172 GLU A CG 889 C CD . GLU A 110 ? 0.4657 0.4771 0.4408 0.0242 0.0994 0.0022 172 GLU A CD 890 O OE1 . GLU A 110 ? 0.5964 0.4611 0.3758 -0.0072 0.0221 0.0659 172 GLU A OE1 891 O OE2 . GLU A 110 ? 0.4471 0.4813 0.3551 0.0162 0.0925 0.0258 172 GLU A OE2 892 N N . MET A 111 ? 0.4176 0.3546 0.2384 0.0631 0.0923 0.0495 173 MET A N 893 C CA . MET A 111 ? 0.4563 0.3189 0.2734 0.0463 0.1032 0.0278 173 MET A CA 894 C C . MET A 111 ? 0.4657 0.3024 0.2752 0.0315 0.1019 0.0318 173 MET A C 895 O O . MET A 111 ? 0.3825 0.3143 0.2707 0.0318 0.0893 0.0646 173 MET A O 896 C CB . MET A 111 ? 0.4624 0.3375 0.3061 0.0134 0.1131 0.0262 173 MET A CB 897 C CG . MET A 111 ? 0.4881 0.2958 0.2860 0.0320 0.1029 0.0359 173 MET A CG 898 S SD . MET A 111 ? 0.5106 0.3237 0.3018 0.0329 0.1312 0.0214 173 MET A SD 899 C CE . MET A 111 ? 0.5017 0.3106 0.3308 0.0676 0.0885 0.0549 173 MET A CE 900 N N . GLU A 112 ? 0.4475 0.3289 0.2537 0.0373 0.0990 0.0397 174 GLU A N 901 C CA . GLU A 112 ? 0.4458 0.2998 0.2489 0.0401 0.1067 0.0185 174 GLU A CA 902 C C . GLU A 112 ? 0.3863 0.3221 0.2297 0.0222 0.1173 0.0431 174 GLU A C 903 O O . GLU A 112 ? 0.4622 0.3218 0.2378 0.0345 0.0933 0.0320 174 GLU A O 904 C CB . GLU A 112 ? 0.4632 0.3415 0.2490 -0.0053 0.1040 0.0279 174 GLU A CB 905 C CG . GLU A 112 ? 0.4087 0.4101 0.2638 0.0767 0.1410 0.0505 174 GLU A CG 906 C CD . GLU A 112 ? 0.5004 0.7483 0.3246 -0.1080 0.0715 0.1353 174 GLU A CD 907 O OE1 . GLU A 112 ? 0.6238 0.7641 0.3699 -0.0516 0.1688 0.1338 174 GLU A OE1 908 O OE2 . GLU A 112 ? 0.5031 0.5351 0.3136 -0.0285 0.0603 0.1243 174 GLU A OE2 909 N N . SER A 113 ? 0.4566 0.2753 0.2664 0.0278 0.0692 0.0522 175 SER A N 910 C CA . SER A 113 ? 0.4604 0.2826 0.2343 0.0555 0.1010 0.0023 175 SER A CA 911 C C . SER A 113 ? 0.4405 0.3143 0.2376 0.0380 0.1194 0.0220 175 SER A C 912 O O . SER A 113 ? 0.4372 0.2933 0.2381 0.0346 0.0935 0.0416 175 SER A O 913 C CB . SER A 113 ? 0.4544 0.3110 0.2590 0.0249 0.0803 0.0158 175 SER A CB 914 O OG . SER A 113 ? 0.5001 0.3323 0.2383 0.0269 0.0701 0.0123 175 SER A OG 915 N N . GLU A 114 ? 0.4517 0.3284 0.2232 0.0185 0.1239 0.0395 176 GLU A N 916 C CA . GLU A 114 ? 0.4959 0.3013 0.2327 0.0309 0.0952 0.0127 176 GLU A CA 917 C C . GLU A 114 ? 0.4444 0.3459 0.1864 0.0139 0.1076 0.0191 176 GLU A C 918 O O . GLU A 114 ? 0.4861 0.3085 0.2336 0.0620 0.0978 0.0192 176 GLU A O 919 C CB . GLU A 114 ? 0.5330 0.4365 0.2951 0.0095 0.1414 -0.0086 176 GLU A CB 920 C CG . GLU A 114 ? 0.5843 0.4304 0.4673 0.0421 0.2386 -0.0325 176 GLU A CG 921 C CD . GLU A 114 ? 0.5381 0.7968 0.4258 -0.0640 0.1842 -0.1094 176 GLU A CD 922 O OE1 . GLU A 114 ? 0.6711 0.6827 0.2992 0.1259 0.2885 0.0766 176 GLU A OE1 923 O OE2 . GLU A 114 ? 0.5220 0.6603 0.4851 -0.0915 0.1979 0.0370 176 GLU A OE2 924 N N . PHE A 115 ? 0.4822 0.2806 0.2092 0.0217 0.1237 0.0120 177 PHE A N 925 C CA . PHE A 115 ? 0.4987 0.3198 0.2241 0.0248 0.0715 0.0085 177 PHE A CA 926 C C . PHE A 115 ? 0.4680 0.3101 0.2061 0.0299 0.1101 0.0085 177 PHE A C 927 O O . PHE A 115 ? 0.4690 0.3130 0.2621 0.0194 0.0885 -0.0009 177 PHE A O 928 C CB . PHE A 115 ? 0.4424 0.2974 0.2649 -0.0075 0.0910 0.0134 177 PHE A CB 929 C CG . PHE A 115 ? 0.4466 0.3317 0.2239 0.0152 0.1033 0.0145 177 PHE A CG 930 C CD1 . PHE A 115 ? 0.4495 0.2993 0.1987 0.0116 0.1148 0.0378 177 PHE A CD1 931 C CD2 . PHE A 115 ? 0.4650 0.2741 0.2237 0.0066 0.0924 0.0512 177 PHE A CD2 932 C CE1 . PHE A 115 ? 0.4368 0.3066 0.2353 -0.0250 0.0787 0.0372 177 PHE A CE1 933 C CE2 . PHE A 115 ? 0.4148 0.3335 0.2284 -0.0038 0.0655 0.0172 177 PHE A CE2 934 C CZ . PHE A 115 ? 0.4275 0.2965 0.2254 -0.0096 0.0978 0.0380 177 PHE A CZ 935 N N . GLN A 116 ? 0.5088 0.2993 0.2017 -0.0016 0.0652 -0.0175 178 GLN A N 936 C CA . GLN A 116 ? 0.5028 0.3618 0.2384 0.0063 0.0777 0.0265 178 GLN A CA 937 C C . GLN A 116 ? 0.4946 0.3497 0.2567 -0.0158 0.0586 0.0042 178 GLN A C 938 O O . GLN A 116 ? 0.5160 0.3293 0.2981 -0.0011 0.1227 -0.0454 178 GLN A O 939 C CB . GLN A 116 ? 0.4924 0.3820 0.2569 -0.0019 0.1039 -0.0268 178 GLN A CB 940 C CG . GLN A 116 ? 0.5757 0.3303 0.3170 -0.0129 0.0995 0.0048 178 GLN A CG 941 C CD . GLN A 116 ? 0.6030 0.5717 0.3102 -0.0046 0.0907 -0.0487 178 GLN A CD 942 O OE1 . GLN A 116 ? 0.6013 0.4869 0.3368 0.0582 0.1880 -0.0423 178 GLN A OE1 943 N NE2 . GLN A 116 ? 0.5940 0.4681 0.1878 0.0173 0.1444 -0.0814 178 GLN A NE2 944 N N . GLY A 117 ? 0.4836 0.3109 0.2365 -0.0268 0.0313 -0.0338 179 GLY A N 945 C CA . GLY A 117 ? 0.5024 0.3375 0.2825 -0.0022 0.0364 -0.0102 179 GLY A CA 946 C C . GLY A 117 ? 0.5312 0.3231 0.2357 -0.0351 0.0146 -0.0216 179 GLY A C 947 O O . GLY A 117 ? 0.4864 0.3663 0.2185 -0.0107 0.0489 0.0253 179 GLY A O 948 N N . GLU A 118 ? 0.5026 0.3528 0.2902 0.0038 0.0410 -0.0100 180 GLU A N 949 C CA . GLU A 118 ? 0.5178 0.3677 0.2271 -0.0351 -0.0145 -0.0289 180 GLU A CA 950 C C . GLU A 118 ? 0.4652 0.3410 0.2439 0.0041 -0.0094 -0.0001 180 GLU A C 951 O O . GLU A 118 ? 0.4830 0.3353 0.2414 -0.0058 0.0315 0.0341 180 GLU A O 952 C CB . GLU A 118 ? 0.5006 0.3701 0.2413 -0.0209 0.0032 -0.0772 180 GLU A CB 953 C CG . GLU A 118 ? 0.5240 0.4030 0.2256 -0.0241 0.0303 -0.0282 180 GLU A CG 954 C CD . GLU A 118 ? 0.5421 0.4335 0.3832 -0.0449 -0.0230 0.0541 180 GLU A CD 955 O OE1 . GLU A 118 ? 0.5526 0.4248 0.3702 -0.0735 -0.0279 0.0134 180 GLU A OE1 956 O OE2 . GLU A 118 ? 0.5418 0.4917 0.3003 -0.0203 -0.0407 -0.0084 180 GLU A OE2 957 N N . LEU A 119 ? 0.4250 0.3699 0.2153 -0.0228 0.0251 0.0084 181 LEU A N 958 C CA . LEU A 119 ? 0.4533 0.3221 0.2868 -0.0209 -0.0293 0.0418 181 LEU A CA 959 C C . LEU A 119 ? 0.4683 0.3367 0.2919 0.0088 -0.0154 0.0214 181 LEU A C 960 O O . LEU A 119 ? 0.4944 0.3440 0.2399 0.0242 0.0414 0.0164 181 LEU A O 961 C CB . LEU A 119 ? 0.4716 0.3589 0.2340 -0.0205 0.0134 0.0500 181 LEU A CB 962 C CG . LEU A 119 ? 0.4589 0.3599 0.2635 -0.0287 0.0207 0.0482 181 LEU A CG 963 C CD1 . LEU A 119 ? 0.4593 0.3452 0.2746 -0.0113 0.0050 0.0214 181 LEU A CD1 964 C CD2 . LEU A 119 ? 0.4507 0.3812 0.1996 -0.0199 0.0206 0.0590 181 LEU A CD2 965 N N . ALA A 120 ? 0.4684 0.3956 0.2403 -0.0239 0.0191 -0.0134 182 ALA A N 966 C CA . ALA A 120 ? 0.4742 0.4133 0.2988 -0.0011 -0.0366 -0.0051 182 ALA A CA 967 C C . ALA A 120 ? 0.4629 0.4476 0.2727 -0.0105 0.0024 -0.0484 182 ALA A C 968 O O . ALA A 120 ? 0.4289 0.4228 0.2999 -0.0340 -0.0002 -0.0373 182 ALA A O 969 C CB . ALA A 120 ? 0.4603 0.4623 0.3392 -0.0361 -0.0448 -0.0055 182 ALA A CB 970 N N . ASP A 121 ? 0.4914 0.4927 0.2747 0.0147 -0.0286 -0.0806 183 ASP A N 971 C CA . ASP A 121 ? 0.4669 0.5305 0.3563 0.0881 -0.0135 0.0156 183 ASP A CA 972 C C . ASP A 121 ? 0.4828 0.4905 0.3786 0.0120 -0.0402 0.0210 183 ASP A C 973 O O . ASP A 121 ? 0.4710 0.4982 0.3930 -0.0441 -0.0379 0.0113 183 ASP A O 974 C CB . ASP A 121 ? 0.5742 0.5639 0.2944 0.0320 -0.0788 -0.0469 183 ASP A CB 975 C CG . ASP A 121 ? 0.4830 0.5835 0.5695 0.0071 -0.0842 -0.0204 183 ASP A CG 976 O OD1 . ASP A 121 ? 0.6232 0.6252 0.5051 0.0118 -0.1179 -0.0822 183 ASP A OD1 977 O OD2 . ASP A 121 ? 0.6862 0.7092 0.4671 0.0761 -0.0942 0.1114 183 ASP A OD2 978 N N . ASP A 122 ? 0.4538 0.4495 0.3131 -0.0104 -0.0220 -0.0622 184 ASP A N 979 C CA . ASP A 122 ? 0.4393 0.4783 0.3873 -0.0394 0.0000 -0.0461 184 ASP A CA 980 C C . ASP A 122 ? 0.3872 0.4172 0.3946 -0.0063 0.0235 -0.0512 184 ASP A C 981 O O . ASP A 122 ? 0.4155 0.4428 0.3792 -0.0664 -0.0067 -0.0036 184 ASP A O 982 C CB . ASP A 122 ? 0.4280 0.4465 0.3336 -0.0537 0.0179 -0.0455 184 ASP A CB 983 C CG . ASP A 122 ? 0.4574 0.4629 0.2607 -0.0603 0.0152 -0.0669 184 ASP A CG 984 O OD1 . ASP A 122 ? 0.4026 0.4336 0.3071 -0.0383 -0.0245 -0.0745 184 ASP A OD1 985 O OD2 . ASP A 122 ? 0.4419 0.4393 0.3296 -0.0782 0.0114 -0.0735 184 ASP A OD2 986 N N . LEU A 123 ? 0.3766 0.4214 0.3355 -0.0096 0.0001 -0.0045 185 LEU A N 987 C CA . LEU A 123 ? 0.4358 0.4261 0.3648 -0.0199 -0.0169 -0.0283 185 LEU A CA 988 C C . LEU A 123 ? 0.4288 0.4378 0.3293 -0.0069 0.0190 -0.0238 185 LEU A C 989 O O . LEU A 123 ? 0.3776 0.4932 0.3700 -0.0215 0.0410 -0.1001 185 LEU A O 990 C CB . LEU A 123 ? 0.4491 0.5458 0.4641 -0.0162 0.0356 -0.0005 185 LEU A CB 991 C CG . LEU A 123 ? 0.4857 0.5617 0.5593 0.0069 -0.0291 -0.0355 185 LEU A CG 992 C CD1 . LEU A 123 ? 0.6576 0.7063 0.5042 -0.0685 -0.1295 -0.0029 185 LEU A CD1 993 C CD2 . LEU A 123 ? 0.6790 0.5776 0.6781 0.0006 0.1072 -0.0613 185 LEU A CD2 994 N N . ALA A 124 ? 0.4327 0.3501 0.3402 -0.0253 0.0499 -0.0074 186 ALA A N 995 C CA . ALA A 124 ? 0.4236 0.3674 0.3004 -0.0532 0.0333 -0.0232 186 ALA A CA 996 C C . ALA A 124 ? 0.4198 0.3668 0.3066 -0.0847 0.0118 -0.0362 186 ALA A C 997 O O . ALA A 124 ? 0.4067 0.3592 0.3034 -0.0590 0.0605 0.0059 186 ALA A O 998 C CB . ALA A 124 ? 0.3999 0.3706 0.3389 -0.0589 -0.0187 0.0211 186 ALA A CB 999 N N . GLY A 125 ? 0.4038 0.2969 0.2419 -0.0653 0.0476 0.0357 187 GLY A N 1000 C CA . GLY A 125 ? 0.4107 0.2928 0.2378 -0.0247 0.0412 -0.0019 187 GLY A CA 1001 C C . GLY A 125 ? 0.3776 0.3044 0.2613 -0.0314 0.0554 0.0040 187 GLY A C 1002 O O . GLY A 125 ? 0.4213 0.2694 0.2314 -0.0486 0.0917 0.0151 187 GLY A O 1003 N N . PHE A 126 ? 0.4057 0.2812 0.2418 -0.0012 0.0431 0.0060 188 PHE A N 1004 C CA . PHE A 126 ? 0.4160 0.3009 0.2426 0.0054 0.0486 0.0111 188 PHE A CA 1005 C C . PHE A 126 ? 0.4305 0.3339 0.2508 -0.0286 0.0338 -0.0052 188 PHE A C 1006 O O . PHE A 126 ? 0.4350 0.3082 0.2292 -0.0092 0.0572 0.0172 188 PHE A O 1007 C CB . PHE A 126 ? 0.3895 0.3193 0.2393 -0.0255 0.0273 0.0400 188 PHE A CB 1008 C CG . PHE A 126 ? 0.3764 0.3102 0.2587 -0.0125 0.0224 0.0181 188 PHE A CG 1009 C CD1 . PHE A 126 ? 0.3842 0.3152 0.2383 -0.0160 0.0710 0.0105 188 PHE A CD1 1010 C CD2 . PHE A 126 ? 0.4200 0.3340 0.2134 -0.0224 0.0609 0.0308 188 PHE A CD2 1011 C CE1 . PHE A 126 ? 0.4260 0.3141 0.2286 -0.0034 0.0479 0.0621 188 PHE A CE1 1012 C CE2 . PHE A 126 ? 0.4143 0.3036 0.2279 -0.0073 0.0404 0.0474 188 PHE A CE2 1013 C CZ . PHE A 126 ? 0.3929 0.3146 0.2294 0.0153 0.0224 0.0277 188 PHE A CZ 1014 N N . TYR A 127 ? 0.4302 0.3443 0.1867 -0.0065 0.0291 0.0029 189 TYR A N 1015 C CA . TYR A 127 ? 0.4024 0.3432 0.2872 -0.0125 -0.0073 0.0168 189 TYR A CA 1016 C C . TYR A 127 ? 0.4136 0.3569 0.2874 0.0058 0.0107 0.0213 189 TYR A C 1017 O O . TYR A 127 ? 0.4237 0.3580 0.2701 0.0099 0.0100 0.0325 189 TYR A O 1018 C CB . TYR A 127 ? 0.4622 0.3691 0.1930 -0.0531 0.0438 -0.0264 189 TYR A CB 1019 C CG . TYR A 127 ? 0.4369 0.3228 0.2929 -0.0043 0.0076 0.0277 189 TYR A CG 1020 C CD1 . TYR A 127 ? 0.4516 0.3967 0.2707 0.0081 -0.0212 0.0217 189 TYR A CD1 1021 C CD2 . TYR A 127 ? 0.3787 0.3283 0.2725 -0.0307 0.0415 0.0161 189 TYR A CD2 1022 C CE1 . TYR A 127 ? 0.4159 0.3887 0.2752 0.0304 0.0090 0.0296 189 TYR A CE1 1023 C CE2 . TYR A 127 ? 0.3725 0.3249 0.2506 -0.0468 0.0604 0.0320 189 TYR A CE2 1024 C CZ . TYR A 127 ? 0.4155 0.3550 0.2960 -0.0089 0.0059 -0.0056 189 TYR A CZ 1025 O OH . TYR A 127 ? 0.4341 0.3791 0.2923 0.0039 0.0114 -0.0104 189 TYR A OH 1026 N N . ARG A 128 ? 0.4579 0.3685 0.2417 0.0178 0.0380 0.0024 190 ARG A N 1027 C CA . ARG A 128 ? 0.4771 0.3872 0.2487 0.0335 -0.0386 0.0096 190 ARG A CA 1028 C C . ARG A 128 ? 0.4864 0.4424 0.3014 0.0425 0.0204 -0.0059 190 ARG A C 1029 O O . ARG A 128 ? 0.4815 0.4535 0.3326 0.0198 -0.0315 0.0206 190 ARG A O 1030 C CB . ARG A 128 ? 0.4813 0.3735 0.2815 0.0425 0.0223 -0.0069 190 ARG A CB 1031 C CG . ARG A 128 ? 0.5132 0.4434 0.2546 0.0765 -0.0313 -0.0137 190 ARG A CG 1032 C CD . ARG A 128 ? 0.5258 0.4779 0.2404 0.0171 -0.0068 0.0722 190 ARG A CD 1033 N NE . ARG A 128 ? 0.6324 0.5033 0.2803 -0.0066 -0.0331 -0.0242 190 ARG A NE 1034 C CZ . ARG A 128 ? 0.5946 0.4627 0.3591 0.0350 -0.0437 0.0319 190 ARG A CZ 1035 N NH1 . ARG A 128 ? 0.5934 0.5279 0.2251 0.0366 -0.0324 0.0413 190 ARG A NH1 1036 N NH2 . ARG A 128 ? 0.6122 0.5353 0.3599 0.0137 -0.0794 0.0560 190 ARG A NH2 1037 N N . SER A 129 ? 0.5378 0.4157 0.2501 0.1007 0.0192 0.0018 191 SER A N 1038 C CA . SER A 129 ? 0.5538 0.5004 0.3149 0.0993 -0.0272 0.0053 191 SER A CA 1039 C C . SER A 129 ? 0.6617 0.5239 0.2474 0.0848 -0.0359 -0.0318 191 SER A C 1040 O O . SER A 129 ? 0.7157 0.4309 0.3773 0.0452 -0.0240 0.0794 191 SER A O 1041 C CB . SER A 129 ? 0.6488 0.4653 0.3756 0.1215 -0.0041 -0.0326 191 SER A CB 1042 O OG . SER A 129 ? 0.6729 0.6467 0.4339 0.1831 0.0959 0.0217 191 SER A OG 1043 N N . GLU A 130 ? 0.6451 0.8336 0.4509 0.2286 -0.1046 0.1220 192 GLU A N 1044 C CA . GLU A 130 ? 0.8915 0.8422 0.2647 0.2317 -0.0218 -0.0444 192 GLU A CA 1045 C C . GLU A 130 ? 0.9352 0.9510 0.5928 0.3323 -0.1514 0.0630 192 GLU A C 1046 O O . GLU A 130 ? 0.8780 0.9820 0.6454 0.2209 -0.1946 0.1595 192 GLU A O 1047 C CB . GLU A 130 ? 0.7951 0.7515 0.4193 0.2394 -0.1405 0.0361 192 GLU A CB 1048 C CG . GLU A 130 ? 0.9218 0.7096 0.4615 0.2315 -0.1121 0.0772 192 GLU A CG 1049 C CD . GLU A 130 ? 0.8763 0.7944 0.5659 0.3042 -0.1645 0.0061 192 GLU A CD 1050 O OE1 . GLU A 130 ? 0.9915 0.6605 0.5250 0.2560 -0.0109 0.1894 192 GLU A OE1 1051 O OE2 . GLU A 130 ? 1.0504 1.1894 0.5195 0.3567 -0.2298 0.1238 192 GLU A OE2 1052 N N . TYR A 131 ? 1.2124 0.9681 0.4796 0.2625 -0.0105 0.0384 193 TYR A N 1053 C CA . TYR A 131 ? 1.3252 0.8949 0.7349 0.2744 -0.0951 -0.3310 193 TYR A CA 1054 C C . TYR A 131 ? 1.6325 0.8627 0.5851 0.7421 -0.4896 -0.0461 193 TYR A C 1055 O O . TYR A 131 ? 1.6500 0.9182 0.4377 0.2112 -0.4200 -0.0979 193 TYR A O 1056 C CB . TYR A 131 ? 1.4107 1.0376 0.5115 0.4529 -0.2119 -0.2323 193 TYR A CB 1057 C CG . TYR A 131 ? 1.2398 0.6196 0.3835 0.7526 -0.3274 -0.1560 193 TYR A CG 1058 C CD1 . TYR A 131 ? 1.2534 0.7026 0.6257 0.7128 -0.4710 -0.0900 193 TYR A CD1 1059 C CD2 . TYR A 131 ? 1.3880 0.6763 0.6926 0.6262 -0.4020 -0.2962 193 TYR A CD2 1060 C CE1 . TYR A 131 ? 1.3729 0.7910 0.3108 0.6434 -0.3582 -0.1973 193 TYR A CE1 1061 C CE2 . TYR A 131 ? 1.3325 0.5542 0.5639 0.6911 -0.5573 -0.1883 193 TYR A CE2 1062 C CZ . TYR A 131 ? 1.3101 0.6739 0.5269 0.7611 -0.4404 -0.1186 193 TYR A CZ 1063 O OH . TYR A 131 ? 1.6066 0.7361 0.3470 0.4978 -0.2755 -0.1852 193 TYR A OH 1064 N N . MET A 132 ? 2.3166 1.2611 0.8281 1.2083 -0.7097 -0.0480 194 MET A N 1065 C CA . MET A 132 ? 2.4617 0.8826 0.7626 0.7873 -0.2156 -0.3401 194 MET A CA 1066 C C . MET A 132 ? 2.5197 0.7907 0.7420 0.7087 0.0223 -0.3303 194 MET A C 1067 O O . MET A 132 ? 2.5358 0.7538 0.5997 0.8820 -0.1441 -0.2409 194 MET A O 1068 C CB . MET A 132 ? 2.4603 1.4332 1.0138 0.3179 -0.3825 -0.2413 194 MET A CB 1069 C CG . MET A 132 ? 2.5971 1.1982 0.7525 0.4707 -0.4175 -0.1074 194 MET A CG 1070 S SD . MET A 132 ? 2.8059 1.1766 0.6327 0.5337 -0.6299 -0.1874 194 MET A SD 1071 C CE . MET A 132 ? 2.4259 1.0759 0.5729 0.3943 -0.1746 -0.0805 194 MET A CE 1072 N N . GLU A 133 ? 2.7708 0.8166 0.5981 0.5790 -0.1643 -0.1306 195 GLU A N 1073 C CA . GLU A 133 ? 3.6674 0.8645 0.4066 0.4022 -0.3543 0.0962 195 GLU A CA 1074 C C . GLU A 133 ? 4.2363 0.6571 0.4865 0.5548 -0.4675 0.1069 195 GLU A C 1075 O O . GLU A 133 ? 3.9305 0.7759 0.6783 0.2141 -0.4955 -0.0349 195 GLU A O 1076 C CB . GLU A 133 ? 3.4526 0.7430 0.6694 0.6435 -0.2540 -0.0146 195 GLU A CB 1077 C CG . GLU A 133 ? 3.4596 0.7362 1.0025 0.6329 -0.2164 -0.1638 195 GLU A CG 1078 C CD . GLU A 133 ? 3.5138 0.8591 1.0597 0.5242 -0.2252 0.0313 195 GLU A CD 1079 O OE1 . GLU A 133 ? 3.6509 0.5874 0.8681 0.3270 -0.4188 0.1989 195 GLU A OE1 1080 O OE2 . GLU A 133 ? 3.6210 0.5578 0.9995 0.6463 -0.4651 0.1531 195 GLU A OE2 1081 N N . GLY A 134 ? 4.9793 1.1370 0.7580 0.9196 -0.7776 0.4417 196 GLY A N 1082 C CA . GLY A 134 ? 5.0111 0.9812 0.7099 1.3374 -1.1127 0.0392 196 GLY A CA 1083 C C . GLY A 134 ? 5.2586 1.5405 1.1018 0.6868 -1.3929 -0.1856 196 GLY A C 1084 O O . GLY A 134 ? 5.2058 1.0467 1.1581 1.1916 -1.4295 0.0431 196 GLY A O 1085 N N . ASN A 135 ? 4.1335 1.5388 1.9544 0.8294 -1.3725 -0.0941 197 ASN A N 1086 C CA . ASN A 135 ? 5.5791 1.3653 1.1663 1.2688 -0.9962 0.4846 197 ASN A CA 1087 C C . ASN A 135 ? 5.5759 1.1443 0.8684 1.2728 -1.2329 0.0902 197 ASN A C 1088 O O . ASN A 135 ? 4.3956 1.5242 1.0277 1.0277 -0.8253 -0.2800 197 ASN A O 1089 C CB . ASN A 135 ? 5.3460 1.2491 0.7622 1.6220 -1.0268 0.2457 197 ASN A CB 1090 C CG . ASN A 135 ? 5.2095 1.2621 0.8329 1.4584 -1.6732 -0.0943 197 ASN A CG 1091 O OD1 . ASN A 135 ? 4.5015 1.1100 1.9856 1.5799 -1.3154 -0.5201 197 ASN A OD1 1092 N ND2 . ASN A 135 ? 4.8508 1.6240 1.2529 0.7423 -0.7939 -0.8660 197 ASN A ND2 1093 N N . VAL A 136 ? 4.2503 0.9869 0.7755 0.3196 -0.4967 0.1412 198 VAL A N 1094 C CA . VAL A 136 ? 3.8494 0.9393 0.9625 0.1250 -0.7136 -0.0492 198 VAL A CA 1095 C C . VAL A 136 ? 3.2890 1.1180 0.9157 0.1262 -0.5924 -0.1207 198 VAL A C 1096 O O . VAL A 136 ? 3.3632 0.5965 0.6755 0.4574 -1.0542 0.0501 198 VAL A O 1097 C CB . VAL A 136 ? 3.7190 1.0693 0.9554 -0.2112 -0.3990 0.2012 198 VAL A CB 1098 C CG1 . VAL A 136 ? 3.6913 1.4433 0.8228 0.0332 -0.7723 0.0380 198 VAL A CG1 1099 C CG2 . VAL A 136 ? 3.5521 0.9706 1.1772 -0.0343 -0.5287 0.2981 198 VAL A CG2 1100 N N . LYS A 137 ? 2.1666 1.1488 0.5870 0.1039 -0.3767 -0.2045 199 LYS A N 1101 C CA . LYS A 137 ? 2.0372 1.1306 0.4961 0.2324 -0.5066 -0.2056 199 LYS A CA 1102 C C . LYS A 137 ? 1.9943 0.6381 0.5544 0.5291 -0.4656 -0.3203 199 LYS A C 1103 O O . LYS A 137 ? 1.9542 0.8567 0.4553 0.5128 -0.3547 -0.1290 199 LYS A O 1104 C CB . LYS A 137 ? 1.8939 1.0816 0.7062 0.2176 -0.2584 -0.2015 199 LYS A CB 1105 C CG . LYS A 137 ? 1.9017 0.6631 0.8666 0.3129 -0.2642 -0.2491 199 LYS A CG 1106 C CD . LYS A 137 ? 1.9124 0.6992 0.8904 0.0434 -0.3259 -0.0912 199 LYS A CD 1107 C CE . LYS A 137 ? 2.0820 0.7903 0.8106 0.2240 -0.2521 0.0916 199 LYS A CE 1108 N NZ . LYS A 137 ? 1.9465 0.9912 0.5571 0.0319 -0.2964 0.1808 199 LYS A NZ 1109 N N . LYS A 138 ? 1.4360 0.4346 0.3919 0.1484 -0.0139 -0.0503 200 LYS A N 1110 C CA . LYS A 138 ? 1.3101 0.6394 0.3011 0.0946 0.0801 -0.1136 200 LYS A CA 1111 C C . LYS A 138 ? 1.2983 0.5117 0.4890 0.2711 -0.0460 -0.0707 200 LYS A C 1112 O O . LYS A 138 ? 1.4273 0.6481 0.3651 0.0997 -0.1019 0.2192 200 LYS A O 1113 C CB . LYS A 138 ? 1.1945 0.4368 0.3917 0.1840 -0.2544 0.0044 200 LYS A CB 1114 C CG . LYS A 138 ? 1.2909 0.6194 0.5625 0.0091 -0.2409 0.1341 200 LYS A CG 1115 C CD . LYS A 138 ? 1.3687 0.5686 0.4613 0.0954 -0.1511 0.2488 200 LYS A CD 1116 C CE . LYS A 138 ? 1.5541 0.5552 0.3464 -0.0934 -0.1051 0.1454 200 LYS A CE 1117 N NZ . LYS A 138 ? 1.5939 0.6890 0.3491 -0.1236 -0.0922 0.3805 200 LYS A NZ 1118 N N . VAL A 139 ? 1.0207 0.4852 0.2930 -0.0085 0.0614 0.0675 201 VAL A N 1119 C CA . VAL A 139 ? 0.8999 0.4275 0.3168 0.0148 -0.0457 0.0365 201 VAL A CA 1120 C C . VAL A 139 ? 0.8740 0.4177 0.2920 0.0550 -0.0236 0.0890 201 VAL A C 1121 O O . VAL A 139 ? 0.8771 0.3883 0.2462 0.0892 0.0936 0.0872 201 VAL A O 1122 C CB . VAL A 139 ? 0.8964 0.4095 0.3319 0.0087 -0.0462 0.0680 201 VAL A CB 1123 C CG1 . VAL A 139 ? 0.7689 0.3616 0.2197 0.0287 -0.1027 -0.0084 201 VAL A CG1 1124 C CG2 . VAL A 139 ? 0.8584 0.4400 0.3612 0.0808 -0.0566 0.0278 201 VAL A CG2 1125 N N . LEU A 140 ? 0.6724 0.3594 0.2729 0.0627 -0.0050 0.0190 202 LEU A N 1126 C CA . LEU A 140 ? 0.5771 0.3356 0.2968 0.0307 0.0271 0.0478 202 LEU A CA 1127 C C . LEU A 140 ? 0.6074 0.3590 0.2162 0.0880 0.0186 0.0331 202 LEU A C 1128 O O . LEU A 140 ? 0.6260 0.3480 0.2260 0.0559 -0.0187 0.0516 202 LEU A O 1129 C CB . LEU A 140 ? 0.6146 0.3559 0.2415 0.0403 -0.0066 0.0390 202 LEU A CB 1130 C CG . LEU A 140 ? 0.6204 0.3371 0.2982 0.0586 0.0286 0.0308 202 LEU A CG 1131 C CD1 . LEU A 140 ? 0.6735 0.3816 0.3433 0.1504 -0.0355 0.0784 202 LEU A CD1 1132 C CD2 . LEU A 140 ? 0.6588 0.3815 0.3078 0.0769 0.0932 -0.0171 202 LEU A CD2 1133 N N . ALA A 141 ? 0.4645 0.3408 0.2352 0.0425 0.0809 0.0339 203 ALA A N 1134 C CA . ALA A 141 ? 0.4540 0.3210 0.2471 0.0236 0.0275 0.0257 203 ALA A CA 1135 C C . ALA A 141 ? 0.4542 0.3315 0.2417 0.0253 0.0495 0.0413 203 ALA A C 1136 O O . ALA A 141 ? 0.4687 0.3326 0.2587 0.0169 0.0543 0.0667 203 ALA A O 1137 C CB . ALA A 141 ? 0.4621 0.2683 0.2706 0.0125 0.0433 0.0811 203 ALA A CB 1138 N N . THR A 142 ? 0.4389 0.2937 0.2607 0.0029 0.0292 0.0416 204 THR A N 1139 C CA . THR A 142 ? 0.4297 0.3307 0.2699 -0.0162 0.0669 0.0257 204 THR A CA 1140 C C . THR A 142 ? 0.4272 0.3103 0.2517 -0.0076 0.0319 0.0197 204 THR A C 1141 O O . THR A 142 ? 0.4128 0.2928 0.2148 0.0196 0.0763 0.0366 204 THR A O 1142 C CB . THR A 142 ? 0.4380 0.3154 0.2571 -0.0136 0.0307 0.0437 204 THR A CB 1143 O OG1 . THR A 142 ? 0.3881 0.3092 0.2910 -0.0214 0.0504 -0.0061 204 THR A OG1 1144 C CG2 . THR A 142 ? 0.4138 0.3319 0.2411 0.0109 0.0491 -0.0087 204 THR A CG2 1145 N N . THR A 143 ? 0.3874 0.3087 0.2509 -0.0456 0.0333 0.0132 205 THR A N 1146 C CA . THR A 143 ? 0.4008 0.2920 0.2559 -0.0086 0.0363 -0.0004 205 THR A CA 1147 C C . THR A 143 ? 0.3708 0.2873 0.2671 -0.0156 0.0368 0.0063 205 THR A C 1148 O O . THR A 143 ? 0.3598 0.2707 0.2565 -0.0080 0.0649 0.0136 205 THR A O 1149 C CB . THR A 143 ? 0.3941 0.2957 0.2740 0.0199 0.0344 0.0019 205 THR A CB 1150 O OG1 . THR A 143 ? 0.3650 0.2888 0.3060 -0.0220 0.0569 -0.0013 205 THR A OG1 1151 C CG2 . THR A 143 ? 0.3883 0.2666 0.2436 0.0095 0.0157 -0.0082 205 THR A CG2 1152 N N . GLN A 144 ? 0.3565 0.2817 0.2261 -0.0156 0.0133 -0.0018 206 GLN A N 1153 C CA . GLN A 144 ? 0.3629 0.2997 0.2825 0.0022 0.0546 0.0005 206 GLN A CA 1154 C C . GLN A 144 ? 0.3514 0.2962 0.2619 -0.0376 0.0692 0.0105 206 GLN A C 1155 O O . GLN A 144 ? 0.3863 0.3012 0.2605 -0.0320 0.0764 0.0023 206 GLN A O 1156 C CB . GLN A 144 ? 0.3528 0.3091 0.2526 -0.0451 0.0385 -0.0335 206 GLN A CB 1157 C CG . GLN A 144 ? 0.3619 0.3204 0.2494 -0.0126 0.0464 -0.0194 206 GLN A CG 1158 C CD . GLN A 144 ? 0.4389 0.3158 0.3321 -0.0632 0.1276 -0.0364 206 GLN A CD 1159 O OE1 . GLN A 144 ? 0.3534 0.3319 0.2828 -0.0366 0.0827 -0.0104 206 GLN A OE1 1160 N NE2 . GLN A 144 ? 0.5556 0.3917 0.3610 -0.0820 0.1912 -0.0664 206 GLN A NE2 1161 N N . MET A 145 ? 0.3629 0.2903 0.2393 -0.0331 0.0866 -0.0125 207 MET A N 1162 C CA . MET A 145 ? 0.3715 0.2684 0.2606 -0.0473 0.0712 -0.0161 207 MET A CA 1163 C C . MET A 145 ? 0.3740 0.2867 0.2293 -0.0261 0.0715 -0.0006 207 MET A C 1164 O O . MET A 145 ? 0.3733 0.2627 0.2774 -0.0350 0.0862 -0.0474 207 MET A O 1165 C CB . MET A 145 ? 0.3808 0.2959 0.2297 -0.0532 0.0863 -0.0142 207 MET A CB 1166 C CG . MET A 145 ? 0.3676 0.2300 0.2813 -0.0740 0.0595 -0.0288 207 MET A CG 1167 S SD . MET A 145 ? 0.3898 0.3007 0.2736 -0.0336 0.0843 -0.0003 207 MET A SD 1168 C CE . MET A 145 ? 0.3624 0.3069 0.2866 0.0108 0.0513 0.0081 207 MET A CE 1169 N N . GLN A 146 ? 0.3595 0.2631 0.2678 -0.0206 0.0595 -0.0181 208 GLN A N 1170 C CA . GLN A 146 ? 0.3746 0.2520 0.3167 -0.0333 0.0888 -0.0136 208 GLN A CA 1171 C C . GLN A 146 ? 0.3842 0.3272 0.2594 -0.0430 0.0664 -0.0065 208 GLN A C 1172 O O . GLN A 146 ? 0.4084 0.3747 0.3065 -0.0025 0.0664 0.0758 208 GLN A O 1173 C CB . GLN A 146 ? 0.4081 0.3370 0.4325 0.0359 0.1451 -0.0443 208 GLN A CB 1174 C CG . GLN A 146 ? 0.4576 0.4238 0.3873 -0.0665 0.0927 0.0585 208 GLN A CG 1175 C CD . GLN A 146 ? 0.5606 0.2759 0.3109 -0.0599 0.1092 -0.0326 208 GLN A CD 1176 O OE1 . GLN A 146 ? 0.4245 0.2946 0.4320 -0.0446 0.1939 -0.1279 208 GLN A OE1 1177 N NE2 . GLN A 146 ? 0.4346 0.3481 0.3343 0.0238 0.0195 -0.0637 208 GLN A NE2 1178 N N . SER A 147 ? 0.3532 0.2786 0.2956 -0.0574 0.0845 -0.0291 209 SER A N 1179 C CA . SER A 147 ? 0.3505 0.2782 0.3112 -0.0498 0.0671 -0.0269 209 SER A CA 1180 C C . SER A 147 ? 0.3649 0.2588 0.2950 -0.0596 0.0878 0.0083 209 SER A C 1181 O O . SER A 147 ? 0.3611 0.2345 0.2696 -0.0597 0.0948 -0.0154 209 SER A O 1182 C CB . SER A 147 ? 0.4141 0.3141 0.3578 0.0165 0.1610 0.0602 209 SER A CB 1183 O OG . SER A 147 ? 0.5104 0.4131 0.4249 0.0145 0.1274 -0.0296 209 SER A OG 1184 N N . THR A 148 ? 0.3554 0.2915 0.2721 -0.0490 0.1005 -0.0015 210 THR A N 1185 C CA . THR A 148 ? 0.4193 0.2664 0.2562 -0.0401 0.0883 0.0116 210 THR A CA 1186 C C . THR A 148 ? 0.4072 0.2809 0.2591 -0.0406 0.0690 -0.0202 210 THR A C 1187 O O . THR A 148 ? 0.3728 0.2936 0.2621 -0.0524 0.1211 -0.0313 210 THR A O 1188 C CB . THR A 148 ? 0.4147 0.2613 0.2421 -0.0466 0.0930 -0.0313 210 THR A CB 1189 O OG1 . THR A 148 ? 0.4047 0.2737 0.2795 -0.0673 0.0812 -0.0611 210 THR A OG1 1190 C CG2 . THR A 148 ? 0.3878 0.2944 0.2569 -0.0644 0.1219 0.0021 210 THR A CG2 1191 N N . ASP A 149 ? 0.3831 0.2574 0.2302 -0.0545 0.0627 -0.0477 211 ASP A N 1192 C CA . ASP A 149 ? 0.3918 0.2747 0.2752 -0.0511 0.0788 -0.0130 211 ASP A CA 1193 C C . ASP A 149 ? 0.3975 0.2515 0.2530 -0.0381 0.0629 0.0113 211 ASP A C 1194 O O . ASP A 149 ? 0.3965 0.2543 0.2167 -0.0314 0.0618 -0.0147 211 ASP A O 1195 C CB . ASP A 149 ? 0.3802 0.3061 0.2408 -0.0488 0.0818 -0.0016 211 ASP A CB 1196 C CG . ASP A 149 ? 0.4268 0.2728 0.2917 -0.0486 0.0559 0.0080 211 ASP A CG 1197 O OD1 . ASP A 149 ? 0.4329 0.3170 0.2642 -0.0380 0.0510 -0.0266 211 ASP A OD1 1198 O OD2 . ASP A 149 ? 0.4138 0.3047 0.3471 -0.0510 0.0449 -0.0298 211 ASP A OD2 1199 N N . ALA A 150 ? 0.3805 0.2486 0.2311 -0.0096 0.0713 -0.0382 212 ALA A N 1200 C CA . ALA A 150 ? 0.4102 0.2520 0.2185 -0.0124 0.0686 0.0076 212 ALA A CA 1201 C C . ALA A 150 ? 0.3957 0.2591 0.2179 -0.0196 0.0613 -0.0077 212 ALA A C 1202 O O . ALA A 150 ? 0.4100 0.2413 0.2463 -0.0285 0.0770 -0.0122 212 ALA A O 1203 C CB . ALA A 150 ? 0.3349 0.2514 0.2351 -0.0238 0.0503 0.0052 212 ALA A CB 1204 N N . ARG A 151 ? 0.4391 0.2636 0.2269 -0.0208 0.0558 0.0028 213 ARG A N 1205 C CA . ARG A 151 ? 0.3798 0.2612 0.2239 -0.0428 0.0597 -0.0037 213 ARG A CA 1206 C C . ARG A 151 ? 0.4329 0.2474 0.2202 -0.0494 0.0894 -0.0114 213 ARG A C 1207 O O . ARG A 151 ? 0.4313 0.2851 0.2283 -0.0190 0.0868 -0.0206 213 ARG A O 1208 C CB . ARG A 151 ? 0.4208 0.2326 0.2397 -0.0289 0.0275 0.0419 213 ARG A CB 1209 C CG . ARG A 151 ? 0.4136 0.2524 0.2018 -0.0384 0.0815 -0.0078 213 ARG A CG 1210 C CD . ARG A 151 ? 0.3995 0.2503 0.2401 -0.0384 0.0924 -0.0047 213 ARG A CD 1211 N NE . ARG A 151 ? 0.4306 0.2574 0.2325 -0.0513 0.0698 0.0007 213 ARG A NE 1212 C CZ . ARG A 151 ? 0.4310 0.2874 0.2387 -0.0365 0.0678 -0.0044 213 ARG A CZ 1213 N NH1 . ARG A 151 ? 0.4297 0.2827 0.2170 -0.0552 0.1368 -0.0351 213 ARG A NH1 1214 N NH2 . ARG A 151 ? 0.4067 0.2798 0.2361 -0.0266 0.0911 -0.0082 213 ARG A NH2 1215 N N . LYS A 152 ? 0.4043 0.2446 0.2164 -0.0654 0.0716 -0.0116 214 LYS A N 1216 C CA . LYS A 152 ? 0.4464 0.2809 0.2278 -0.0290 0.0723 0.0169 214 LYS A CA 1217 C C . LYS A 152 ? 0.4208 0.3010 0.2287 -0.0417 0.0391 0.0168 214 LYS A C 1218 O O . LYS A 152 ? 0.4095 0.3222 0.2235 -0.0403 0.0621 -0.0291 214 LYS A O 1219 C CB . LYS A 152 ? 0.4020 0.3041 0.2446 -0.0619 0.0617 -0.0284 214 LYS A CB 1220 C CG . LYS A 152 ? 0.4223 0.3411 0.2689 -0.0538 0.0261 -0.0376 214 LYS A CG 1221 C CD . LYS A 152 ? 0.4327 0.3230 0.2331 -0.0315 0.0208 -0.0472 214 LYS A CD 1222 C CE . LYS A 152 ? 0.4912 0.3344 0.2250 -0.0285 0.0174 0.0102 214 LYS A CE 1223 N NZ . LYS A 152 ? 0.4347 0.3182 0.2168 -0.0501 0.0607 -0.0381 214 LYS A NZ 1224 N N . SER A 153 ? 0.4222 0.2181 0.2528 -0.0130 0.0534 -0.0154 215 SER A N 1225 C CA . SER A 153 ? 0.4113 0.2844 0.2355 -0.0165 0.0610 -0.0340 215 SER A CA 1226 C C . SER A 153 ? 0.4324 0.2584 0.2311 -0.0104 0.0476 0.0039 215 SER A C 1227 O O . SER A 153 ? 0.4208 0.3311 0.2042 0.0117 0.0483 0.0394 215 SER A O 1228 C CB . SER A 153 ? 0.4249 0.2366 0.3088 0.0016 0.0672 0.0144 215 SER A CB 1229 O OG . SER A 153 ? 0.4411 0.3458 0.2810 -0.0034 0.0377 0.0315 215 SER A OG 1230 N N . PHE A 154 ? 0.4264 0.2702 0.1982 -0.0075 0.0796 -0.0030 216 PHE A N 1231 C CA . PHE A 154 ? 0.4154 0.2757 0.2057 -0.0250 0.0538 -0.0029 216 PHE A CA 1232 C C . PHE A 154 ? 0.4048 0.2517 0.2334 -0.0260 0.0586 0.0037 216 PHE A C 1233 O O . PHE A 154 ? 0.4429 0.2719 0.2197 0.0143 0.0782 0.0040 216 PHE A O 1234 C CB . PHE A 154 ? 0.4386 0.2375 0.2281 -0.0156 0.0452 0.0177 216 PHE A CB 1235 C CG . PHE A 154 ? 0.4224 0.2439 0.2298 0.0013 0.0850 0.0329 216 PHE A CG 1236 C CD1 . PHE A 154 ? 0.3811 0.2895 0.2105 0.0071 0.0890 0.0269 216 PHE A CD1 1237 C CD2 . PHE A 154 ? 0.3855 0.2297 0.2549 -0.0307 0.0428 -0.0117 216 PHE A CD2 1238 C CE1 . PHE A 154 ? 0.3906 0.2602 0.2779 0.0050 0.0192 -0.0364 216 PHE A CE1 1239 C CE2 . PHE A 154 ? 0.3765 0.2575 0.2340 -0.0077 0.0918 0.0271 216 PHE A CE2 1240 C CZ . PHE A 154 ? 0.4251 0.2754 0.2431 0.0328 0.0603 -0.0012 216 PHE A CZ 1241 N N . PRO A 155 ? 0.4162 0.2652 0.2075 0.0060 0.0913 -0.0040 217 PRO A N 1242 C CA . PRO A 155 ? 0.4087 0.2605 0.2266 0.0006 0.1185 -0.0058 217 PRO A CA 1243 C C . PRO A 155 ? 0.4062 0.2549 0.2443 0.0234 0.0488 0.0082 217 PRO A C 1244 O O . PRO A 155 ? 0.4169 0.2442 0.1947 0.0063 0.0950 0.0106 217 PRO A O 1245 C CB . PRO A 155 ? 0.4354 0.3034 0.1857 0.0210 0.0968 0.0124 217 PRO A CB 1246 C CG . PRO A 155 ? 0.4311 0.2933 0.2487 -0.0047 0.0930 0.0172 217 PRO A CG 1247 C CD . PRO A 155 ? 0.4201 0.2950 0.2342 0.0188 0.1066 0.0259 217 PRO A CD 1248 N N . CYS A 156 ? 0.4165 0.2529 0.2137 -0.0188 0.0568 0.0007 218 CYS A N 1249 C CA . CYS A 156 ? 0.3986 0.2605 0.2159 -0.0039 0.0785 -0.0016 218 CYS A CA 1250 C C . CYS A 156 ? 0.4226 0.2478 0.2156 -0.0095 0.0872 0.0085 218 CYS A C 1251 O O . CYS A 156 ? 0.4188 0.2651 0.2041 -0.0023 0.0964 -0.0338 218 CYS A O 1252 C CB . CYS A 156 ? 0.3846 0.2296 0.1475 -0.0289 0.0591 0.0141 218 CYS A CB 1253 S SG . CYS A 156 ? 0.4144 0.2764 0.2388 0.0012 0.0601 0.0052 218 CYS A SG 1254 N N . PHE A 157 ? 0.4137 0.2280 0.2195 0.0007 0.0824 0.0022 219 PHE A N 1255 C CA . PHE A 157 ? 0.4462 0.2371 0.1921 0.0033 0.0788 -0.0045 219 PHE A CA 1256 C C . PHE A 157 ? 0.4033 0.2728 0.2042 0.0070 0.0977 -0.0027 219 PHE A C 1257 O O . PHE A 157 ? 0.3970 0.2608 0.2203 -0.0060 0.0414 0.0060 219 PHE A O 1258 C CB . PHE A 157 ? 0.4003 0.2962 0.2084 -0.0074 0.0893 -0.0241 219 PHE A CB 1259 C CG . PHE A 157 ? 0.4315 0.2732 0.2329 0.0022 0.0467 0.0131 219 PHE A CG 1260 C CD1 . PHE A 157 ? 0.4361 0.2638 0.3013 -0.0024 0.0707 0.0117 219 PHE A CD1 1261 C CD2 . PHE A 157 ? 0.4625 0.2567 0.2660 0.0103 0.0760 0.0010 219 PHE A CD2 1262 C CE1 . PHE A 157 ? 0.4734 0.3026 0.3007 -0.0047 0.1071 0.0474 219 PHE A CE1 1263 C CE2 . PHE A 157 ? 0.4388 0.2961 0.2330 -0.0027 0.0788 0.0443 219 PHE A CE2 1264 C CZ . PHE A 157 ? 0.4415 0.2605 0.2792 0.0452 0.0784 -0.0012 219 PHE A CZ 1265 N N . ASP A 158 ? 0.4184 0.2662 0.1934 -0.0343 0.0952 -0.0024 220 ASP A N 1266 C CA . ASP A 158 ? 0.3998 0.2567 0.2364 -0.0320 0.0829 -0.0214 220 ASP A CA 1267 C C . ASP A 158 ? 0.4201 0.2602 0.2263 -0.0226 0.1009 0.0036 220 ASP A C 1268 O O . ASP A 158 ? 0.3946 0.2409 0.2205 -0.0332 0.0991 0.0091 220 ASP A O 1269 C CB . ASP A 158 ? 0.3552 0.2610 0.2234 -0.0412 0.0838 0.0033 220 ASP A CB 1270 C CG . ASP A 158 ? 0.4085 0.2508 0.2442 -0.0487 0.0734 0.0114 220 ASP A CG 1271 O OD1 . ASP A 158 ? 0.3561 0.2513 0.2275 -0.0271 0.0783 0.0157 220 ASP A OD1 1272 O OD2 . ASP A 158 ? 0.4320 0.2281 0.2453 -0.0195 0.0690 -0.0233 220 ASP A OD2 1273 N N . GLU A 159 ? 0.4071 0.2562 0.2536 -0.0309 0.0848 -0.0028 221 GLU A N 1274 C CA . GLU A 159 ? 0.4177 0.2655 0.2480 -0.0144 0.0872 -0.0131 221 GLU A CA 1275 C C . GLU A 159 ? 0.4231 0.2713 0.2370 -0.0266 0.0820 -0.0059 221 GLU A C 1276 O O . GLU A 159 ? 0.4253 0.2358 0.2212 -0.0387 0.0957 -0.0058 221 GLU A O 1277 C CB . GLU A 159 ? 0.4297 0.2666 0.2317 -0.0181 0.0680 -0.0168 221 GLU A CB 1278 C CG . GLU A 159 ? 0.4341 0.2259 0.2500 0.0029 0.1012 -0.0110 221 GLU A CG 1279 C CD . GLU A 159 ? 0.4353 0.2749 0.2289 -0.0330 0.1336 -0.0032 221 GLU A CD 1280 O OE1 . GLU A 159 ? 0.4486 0.2441 0.2586 -0.0264 0.0973 0.0370 221 GLU A OE1 1281 O OE2 . GLU A 159 ? 0.4549 0.2614 0.2618 -0.0094 0.1178 -0.0190 221 GLU A OE2 1282 N N . PRO A 160 ? 0.4024 0.2558 0.2332 -0.0168 0.0759 0.0020 222 PRO A N 1283 C CA . PRO A 160 ? 0.4063 0.2711 0.2502 -0.0219 0.0579 -0.0125 222 PRO A CA 1284 C C . PRO A 160 ? 0.3781 0.2623 0.2172 0.0064 0.1002 -0.0221 222 PRO A C 1285 O O . PRO A 160 ? 0.3513 0.2798 0.2428 0.0056 0.0502 -0.0165 222 PRO A O 1286 C CB . PRO A 160 ? 0.4224 0.2734 0.2482 -0.0134 0.1024 -0.0362 222 PRO A CB 1287 C CG . PRO A 160 ? 0.4529 0.2726 0.2679 -0.0226 0.1128 -0.0445 222 PRO A CG 1288 C CD . PRO A 160 ? 0.4099 0.2867 0.2516 -0.0150 0.0962 -0.0425 222 PRO A CD 1289 N N . ALA A 161 ? 0.3754 0.2688 0.2204 0.0085 0.1030 -0.0113 223 ALA A N 1290 C CA . ALA A 161 ? 0.4049 0.3080 0.2355 0.0178 0.0849 0.0072 223 ALA A CA 1291 C C . ALA A 161 ? 0.4146 0.2710 0.2127 -0.0155 0.0973 0.0136 223 ALA A C 1292 O O . ALA A 161 ? 0.3955 0.2752 0.2295 -0.0016 0.0944 -0.0419 223 ALA A O 1293 C CB . ALA A 161 ? 0.4000 0.3129 0.2328 -0.0062 0.0934 0.0117 223 ALA A CB 1294 N N . MET A 162 ? 0.4126 0.3027 0.2376 0.0144 0.0968 -0.0318 224 MET A N 1295 C CA . MET A 162 ? 0.3941 0.2737 0.2562 -0.0258 0.0815 0.0015 224 MET A CA 1296 C C . MET A 162 ? 0.4068 0.2828 0.2343 -0.0037 0.0678 0.0162 224 MET A C 1297 O O . MET A 162 ? 0.4039 0.2766 0.2305 -0.0318 0.0880 0.0086 224 MET A O 1298 C CB . MET A 162 ? 0.4045 0.3018 0.2304 0.0468 0.1045 0.0000 224 MET A CB 1299 C CG . MET A 162 ? 0.4760 0.3210 0.2687 -0.0973 0.1500 -0.0142 224 MET A CG 1300 S SD . MET A 162 ? 0.5790 0.3906 0.3599 0.0016 0.1424 0.0267 224 MET A SD 1301 C CE . MET A 162 ? 0.5794 0.3551 0.4495 -0.0535 0.0575 0.0679 224 MET A CE 1302 N N . LYS A 163 ? 0.3819 0.2898 0.2418 0.0096 0.0820 0.0048 225 LYS A N 1303 C CA . LYS A 163 ? 0.3972 0.2868 0.2338 0.0015 0.0731 -0.0047 225 LYS A CA 1304 C C . LYS A 163 ? 0.4045 0.3290 0.2646 -0.0036 0.0341 0.0436 225 LYS A C 1305 O O . LYS A 163 ? 0.3649 0.2962 0.3474 -0.0150 0.0738 0.0311 225 LYS A O 1306 C CB . LYS A 163 ? 0.3977 0.2807 0.2390 -0.0125 0.0547 -0.0288 225 LYS A CB 1307 C CG . LYS A 163 ? 0.4342 0.2823 0.2606 0.0225 0.0638 0.0068 225 LYS A CG 1308 C CD . LYS A 163 ? 0.4414 0.3805 0.2466 0.0542 0.0568 -0.0597 225 LYS A CD 1309 C CE . LYS A 163 ? 0.4233 0.3260 0.2185 0.0149 0.0813 -0.0016 225 LYS A CE 1310 N NZ . LYS A 163 ? 0.4118 0.3039 0.2386 -0.0317 0.0560 -0.0060 225 LYS A NZ 1311 N N . ALA A 164 ? 0.3736 0.2610 0.2437 -0.0025 0.0676 -0.0204 226 ALA A N 1312 C CA . ALA A 164 ? 0.3996 0.2914 0.2532 -0.0285 0.0632 -0.0126 226 ALA A CA 1313 C C . ALA A 164 ? 0.3848 0.2649 0.2244 -0.0115 0.0751 -0.0296 226 ALA A C 1314 O O . ALA A 164 ? 0.3620 0.3105 0.2260 -0.0228 0.0333 -0.0019 226 ALA A O 1315 C CB . ALA A 164 ? 0.3831 0.2664 0.2633 0.0220 0.0594 -0.0020 226 ALA A CB 1316 N N . THR A 165 ? 0.3693 0.2810 0.2643 0.0054 0.0147 -0.0003 227 THR A N 1317 C CA . THR A 165 ? 0.3613 0.2999 0.2681 -0.0146 0.0405 -0.0109 227 THR A CA 1318 C C . THR A 165 ? 0.3520 0.3009 0.2648 -0.0274 0.0481 0.0003 227 THR A C 1319 O O . THR A 165 ? 0.3645 0.2881 0.2488 -0.0532 0.0657 0.0212 227 THR A O 1320 C CB . THR A 165 ? 0.3941 0.2923 0.2813 -0.0087 0.0338 0.0159 227 THR A CB 1321 O OG1 . THR A 165 ? 0.3184 0.3028 0.2551 -0.0394 0.0702 0.0162 227 THR A OG1 1322 C CG2 . THR A 165 ? 0.4200 0.2995 0.2985 -0.0181 0.0147 -0.0031 227 THR A CG2 1323 N N . PHE A 166 ? 0.3206 0.2859 0.2655 -0.0416 0.0249 -0.0006 228 PHE A N 1324 C CA . PHE A 166 ? 0.3741 0.2702 0.2583 -0.0201 0.0425 0.0117 228 PHE A CA 1325 C C . PHE A 166 ? 0.3551 0.3071 0.2316 -0.0186 0.0222 0.0179 228 PHE A C 1326 O O . PHE A 166 ? 0.3470 0.2845 0.2537 -0.0211 0.0225 0.0118 228 PHE A O 1327 C CB . PHE A 166 ? 0.3636 0.2621 0.2520 -0.0086 0.0593 0.0144 228 PHE A CB 1328 C CG . PHE A 166 ? 0.3597 0.2689 0.2550 -0.0191 0.0456 0.0251 228 PHE A CG 1329 C CD1 . PHE A 166 ? 0.3715 0.2915 0.2649 -0.0039 0.0624 0.0380 228 PHE A CD1 1330 C CD2 . PHE A 166 ? 0.3494 0.2789 0.2432 -0.0078 0.0857 0.0016 228 PHE A CD2 1331 C CE1 . PHE A 166 ? 0.3631 0.2829 0.2800 -0.0200 0.0720 0.0067 228 PHE A CE1 1332 C CE2 . PHE A 166 ? 0.3539 0.2819 0.2390 -0.0210 0.0518 0.0129 228 PHE A CE2 1333 C CZ . PHE A 166 ? 0.3839 0.2912 0.2409 -0.0294 0.0490 0.0105 228 PHE A CZ 1334 N N . ASN A 167 ? 0.3260 0.2938 0.2901 -0.0003 0.0353 0.0393 229 ASN A N 1335 C CA . ASN A 167 ? 0.3434 0.2795 0.3095 0.0011 0.0712 0.0016 229 ASN A CA 1336 C C . ASN A 167 ? 0.3336 0.2890 0.2957 -0.0366 0.0599 0.0490 229 ASN A C 1337 O O . ASN A 167 ? 0.3691 0.3181 0.2590 0.0059 0.0866 0.0388 229 ASN A O 1338 C CB . ASN A 167 ? 0.3616 0.3176 0.3147 -0.0236 0.0402 0.0375 229 ASN A CB 1339 C CG . ASN A 167 ? 0.3837 0.3475 0.3313 -0.0028 0.0292 0.0319 229 ASN A CG 1340 O OD1 . ASN A 167 ? 0.3459 0.3647 0.3287 0.0054 0.0340 0.0050 229 ASN A OD1 1341 N ND2 . ASN A 167 ? 0.3065 0.3395 0.3365 -0.0339 0.0519 0.0503 229 ASN A ND2 1342 N N . ILE A 168 ? 0.3391 0.2574 0.3072 -0.0176 0.0845 0.0259 230 ILE A N 1343 C CA . ILE A 168 ? 0.3580 0.2835 0.2772 -0.0449 0.0787 0.0132 230 ILE A CA 1344 C C . ILE A 168 ? 0.4123 0.2903 0.2936 -0.0380 0.0649 0.0605 230 ILE A C 1345 O O . ILE A 168 ? 0.3576 0.3188 0.2644 -0.0443 0.0402 0.0292 230 ILE A O 1346 C CB . ILE A 168 ? 0.3522 0.2830 0.2931 -0.0519 0.0712 0.0508 230 ILE A CB 1347 C CG1 . ILE A 168 ? 0.3583 0.2716 0.2625 -0.0357 0.0635 0.0633 230 ILE A CG1 1348 C CG2 . ILE A 168 ? 0.3454 0.3011 0.2844 -0.0189 0.0963 0.0271 230 ILE A CG2 1349 C CD1 . ILE A 168 ? 0.3883 0.3001 0.2340 -0.0447 0.1211 0.0416 230 ILE A CD1 1350 N N . THR A 169 ? 0.3857 0.2681 0.2903 0.0101 0.0635 0.0531 231 THR A N 1351 C CA . THR A 169 ? 0.3712 0.2954 0.3055 -0.0273 0.0963 0.0304 231 THR A CA 1352 C C . THR A 169 ? 0.3134 0.3081 0.2998 0.0052 0.0833 0.0618 231 THR A C 1353 O O . THR A 169 ? 0.3902 0.2865 0.2798 -0.0059 0.0507 0.0529 231 THR A O 1354 C CB . THR A 169 ? 0.3800 0.3119 0.3141 -0.0237 0.0764 0.0364 231 THR A CB 1355 O OG1 . THR A 169 ? 0.3500 0.3322 0.3057 -0.0320 0.1058 0.0506 231 THR A OG1 1356 C CG2 . THR A 169 ? 0.3705 0.2630 0.3439 -0.0087 0.0813 0.0806 231 THR A CG2 1357 N N . LEU A 170 ? 0.3600 0.3033 0.2923 -0.0240 0.0988 0.0674 232 LEU A N 1358 C CA . LEU A 170 ? 0.3913 0.3253 0.2800 -0.0251 0.1143 0.0546 232 LEU A CA 1359 C C . LEU A 170 ? 0.4099 0.3117 0.2906 -0.0069 0.1282 0.0693 232 LEU A C 1360 O O . LEU A 170 ? 0.3852 0.3734 0.2648 -0.0225 0.1699 0.0590 232 LEU A O 1361 C CB . LEU A 170 ? 0.3887 0.3220 0.2673 -0.0006 0.0953 0.0573 232 LEU A CB 1362 C CG . LEU A 170 ? 0.3499 0.3596 0.3519 -0.0288 0.1072 0.0099 232 LEU A CG 1363 C CD1 . LEU A 170 ? 0.4154 0.3024 0.3119 -0.0244 0.0798 0.0545 232 LEU A CD1 1364 C CD2 . LEU A 170 ? 0.3524 0.2660 0.4107 0.0074 0.1530 -0.0077 232 LEU A CD2 1365 N N . ILE A 171 ? 0.3858 0.2754 0.2944 -0.0214 0.0898 0.0757 233 ILE A N 1366 C CA . ILE A 171 ? 0.4304 0.3142 0.2921 0.0079 0.1055 0.0465 233 ILE A CA 1367 C C . ILE A 171 ? 0.4497 0.3288 0.2797 0.0180 0.0976 0.0559 233 ILE A C 1368 O O . ILE A 171 ? 0.4316 0.2991 0.2988 0.0112 0.0869 0.0671 233 ILE A O 1369 C CB . ILE A 171 ? 0.4349 0.3308 0.2783 0.0273 0.1078 0.0626 233 ILE A CB 1370 C CG1 . ILE A 171 ? 0.4619 0.2867 0.2972 0.0507 0.1098 0.0737 233 ILE A CG1 1371 C CG2 . ILE A 171 ? 0.4325 0.3173 0.2897 -0.0158 0.1275 0.0753 233 ILE A CG2 1372 C CD1 . ILE A 171 ? 0.4776 0.3237 0.2544 0.0637 0.0958 0.0571 233 ILE A CD1 1373 N N . HIS A 172 ? 0.4443 0.3336 0.2491 0.0354 0.1485 0.0470 234 HIS A N 1374 C CA . HIS A 172 ? 0.4963 0.3369 0.2941 0.0281 0.0957 0.0788 234 HIS A CA 1375 C C . HIS A 172 ? 0.4994 0.3371 0.2830 0.0250 0.1144 0.0587 234 HIS A C 1376 O O . HIS A 172 ? 0.4910 0.3110 0.2593 0.0416 0.0998 0.0896 234 HIS A O 1377 C CB . HIS A 172 ? 0.4624 0.2921 0.2877 0.0653 0.0776 0.1213 234 HIS A CB 1378 C CG . HIS A 172 ? 0.4633 0.3217 0.3228 0.0414 0.0906 0.0852 234 HIS A CG 1379 N ND1 . HIS A 172 ? 0.5087 0.3337 0.3177 0.0247 0.1254 0.0685 234 HIS A ND1 1380 C CD2 . HIS A 172 ? 0.4877 0.2967 0.2872 0.0032 0.1131 0.0680 234 HIS A CD2 1381 C CE1 . HIS A 172 ? 0.4440 0.3887 0.3155 0.0192 0.1073 0.0863 234 HIS A CE1 1382 N NE2 . HIS A 172 ? 0.4530 0.3459 0.3364 -0.0294 0.0658 0.0848 234 HIS A NE2 1383 N N . PRO A 173 ? 0.5348 0.3473 0.3262 0.0498 0.1076 0.0754 235 PRO A N 1384 C CA . PRO A 173 ? 0.5404 0.3492 0.3416 0.0445 0.1056 0.0988 235 PRO A CA 1385 C C . PRO A 173 ? 0.5458 0.3664 0.3320 0.0246 0.0960 0.1164 235 PRO A C 1386 O O . PRO A 173 ? 0.5229 0.3240 0.3356 0.0183 0.1370 0.1345 235 PRO A O 1387 C CB . PRO A 173 ? 0.5561 0.3773 0.3120 0.0568 0.1148 0.1121 235 PRO A CB 1388 C CG . PRO A 173 ? 0.5649 0.3837 0.3300 0.0335 0.1254 0.0909 235 PRO A CG 1389 C CD . PRO A 173 ? 0.5503 0.3590 0.3615 0.0108 0.0623 0.1041 235 PRO A CD 1390 N N . ASN A 174 ? 0.5597 0.3613 0.3521 0.0272 0.0898 0.1411 236 ASN A N 1391 C CA . ASN A 174 ? 0.5914 0.3677 0.3754 0.0205 0.0998 0.0836 236 ASN A CA 1392 C C . ASN A 174 ? 0.6019 0.3353 0.3382 -0.0111 0.1536 0.1698 236 ASN A C 1393 O O . ASN A 174 ? 0.6656 0.3633 0.4371 0.0219 0.1985 0.0485 236 ASN A O 1394 C CB . ASN A 174 ? 0.6102 0.3985 0.4009 -0.0267 0.1102 0.1066 236 ASN A CB 1395 C CG . ASN A 174 ? 0.5671 0.4345 0.4220 -0.0128 0.1326 0.1169 236 ASN A CG 1396 O OD1 . ASN A 174 ? 0.6600 0.3998 0.4293 0.0567 0.1276 0.1827 236 ASN A OD1 1397 N ND2 . ASN A 174 ? 0.6158 0.3604 0.4345 -0.0241 0.1692 0.0602 236 ASN A ND2 1398 N N . ASN A 175 ? 0.6436 0.3764 0.3550 0.0433 0.1552 0.1491 237 ASN A N 1399 C CA . ASN A 175 ? 0.6700 0.3645 0.4132 0.0522 0.1845 0.1728 237 ASN A CA 1400 C C . ASN A 175 ? 0.6281 0.3622 0.3885 0.0897 0.1464 0.1478 237 ASN A C 1401 O O . ASN A 175 ? 0.6358 0.3387 0.4071 0.0943 0.1939 0.1066 237 ASN A O 1402 C CB . ASN A 175 ? 0.6810 0.3926 0.4259 0.0017 0.1348 0.1338 237 ASN A CB 1403 C CG . ASN A 175 ? 0.7064 0.3984 0.4431 0.0567 0.1023 0.1446 237 ASN A CG 1404 O OD1 . ASN A 175 ? 0.7080 0.4338 0.4004 0.0116 0.2172 0.1487 237 ASN A OD1 1405 N ND2 . ASN A 175 ? 0.6912 0.4725 0.5105 0.0163 0.0625 0.1991 237 ASN A ND2 1406 N N . LEU A 176 ? 0.6125 0.3524 0.3366 0.0215 0.1512 0.1169 238 LEU A N 1407 C CA . LEU A 176 ? 0.5064 0.3492 0.3965 0.0472 0.1165 0.1179 238 LEU A CA 1408 C C . LEU A 176 ? 0.5667 0.3646 0.3932 0.0301 0.1231 0.0919 238 LEU A C 1409 O O . LEU A 176 ? 0.5359 0.4048 0.4476 0.0612 0.1300 0.1344 238 LEU A O 1410 C CB . LEU A 176 ? 0.5549 0.3317 0.3592 0.0397 0.1174 0.1141 238 LEU A CB 1411 C CG . LEU A 176 ? 0.6021 0.3822 0.3955 0.0503 0.0993 0.0772 238 LEU A CG 1412 C CD1 . LEU A 176 ? 0.6032 0.3975 0.2975 -0.0001 0.0843 0.0824 238 LEU A CD1 1413 C CD2 . LEU A 176 ? 0.6345 0.3987 0.3598 0.0374 0.1228 0.1793 238 LEU A CD2 1414 N N . THR A 177 ? 0.5257 0.2687 0.3916 0.0051 0.1106 0.0949 239 THR A N 1415 C CA . THR A 177 ? 0.5033 0.3112 0.3811 0.0005 0.0869 0.1176 239 THR A CA 1416 C C . THR A 177 ? 0.4986 0.3139 0.3510 0.0181 0.0928 0.1096 239 THR A C 1417 O O . THR A 177 ? 0.4921 0.2715 0.3281 0.0426 0.0755 0.0488 239 THR A O 1418 C CB . THR A 177 ? 0.5629 0.3067 0.3985 0.0011 0.0848 0.0905 239 THR A CB 1419 O OG1 . THR A 177 ? 0.5227 0.3123 0.4808 0.0103 0.0658 0.1308 239 THR A OG1 1420 C CG2 . THR A 177 ? 0.5115 0.3699 0.4168 0.0368 0.0908 0.0448 239 THR A CG2 1421 N N . ALA A 178 ? 0.4199 0.3175 0.3097 -0.0048 0.1243 0.0778 240 ALA A N 1422 C CA . ALA A 178 ? 0.4674 0.2991 0.3240 -0.0174 0.0927 0.0658 240 ALA A CA 1423 C C . ALA A 178 ? 0.4407 0.3070 0.3319 -0.0399 0.0800 0.0232 240 ALA A C 1424 O O . ALA A 178 ? 0.4922 0.2997 0.3351 -0.0867 0.0694 0.0315 240 ALA A O 1425 C CB . ALA A 178 ? 0.4527 0.3092 0.2962 -0.0219 0.0968 0.0724 240 ALA A CB 1426 N N . LEU A 179 ? 0.4198 0.2871 0.3211 -0.0193 0.0581 0.0423 241 LEU A N 1427 C CA . LEU A 179 ? 0.4182 0.2902 0.3017 0.0121 0.0554 0.0606 241 LEU A CA 1428 C C . LEU A 179 ? 0.3743 0.2815 0.3096 -0.0015 0.0837 0.0488 241 LEU A C 1429 O O . LEU A 179 ? 0.4166 0.2741 0.2810 -0.0078 0.0708 0.0718 241 LEU A O 1430 C CB . LEU A 179 ? 0.3949 0.2966 0.2998 -0.0008 0.0477 0.0194 241 LEU A CB 1431 C CG . LEU A 179 ? 0.4053 0.3012 0.3604 -0.0074 0.0336 0.0336 241 LEU A CG 1432 C CD1 . LEU A 179 ? 0.4112 0.3289 0.3221 0.0435 0.0222 0.0060 241 LEU A CD1 1433 C CD2 . LEU A 179 ? 0.4516 0.2907 0.3963 -0.0643 0.0462 0.0712 241 LEU A CD2 1434 N N . SER A 180 ? 0.3355 0.2644 0.3070 -0.0031 0.0820 0.0645 242 SER A N 1435 C CA . SER A 180 ? 0.3396 0.2368 0.2929 0.0034 0.0668 0.0421 242 SER A CA 1436 C C . SER A 180 ? 0.3496 0.2727 0.3041 -0.0085 0.0516 0.0192 242 SER A C 1437 O O . SER A 180 ? 0.3591 0.2696 0.3336 -0.0219 0.0671 0.0120 242 SER A O 1438 C CB . SER A 180 ? 0.3340 0.2662 0.2715 0.0016 0.0416 0.0510 242 SER A CB 1439 O OG . SER A 180 ? 0.3467 0.2288 0.2701 0.0110 0.0318 0.0269 242 SER A OG 1440 N N . ASN A 181 ? 0.3286 0.2534 0.2844 -0.0409 0.0258 0.0000 243 ASN A N 1441 C CA . ASN A 181 ? 0.3844 0.2623 0.3035 -0.0467 0.0562 0.0158 243 ASN A CA 1442 C C . ASN A 181 ? 0.3816 0.2964 0.3158 -0.0381 0.0238 -0.0088 243 ASN A C 1443 O O . ASN A 181 ? 0.3439 0.2656 0.3308 -0.0357 0.0172 -0.0043 243 ASN A O 1444 C CB . ASN A 181 ? 0.3315 0.2568 0.2608 -0.0072 0.0709 -0.0017 243 ASN A CB 1445 C CG . ASN A 181 ? 0.3800 0.2547 0.3129 -0.0223 0.0459 -0.0163 243 ASN A CG 1446 O OD1 . ASN A 181 ? 0.3487 0.2632 0.2581 -0.0131 0.0533 -0.0060 243 ASN A OD1 1447 N ND2 . ASN A 181 ? 0.3810 0.2644 0.3113 -0.0661 0.0731 -0.0208 243 ASN A ND2 1448 N N . MET A 182 ? 0.3730 0.2662 0.3507 -0.0476 0.0348 0.0081 244 MET A N 1449 C CA . MET A 182 ? 0.3644 0.2564 0.3192 -0.0427 0.0204 0.0296 244 MET A CA 1450 C C . MET A 182 ? 0.3295 0.2475 0.3308 -0.0166 0.0581 0.0160 244 MET A C 1451 O O . MET A 182 ? 0.3388 0.2259 0.3421 -0.0230 0.0447 0.0296 244 MET A O 1452 C CB . MET A 182 ? 0.3305 0.2381 0.3164 -0.0409 0.0667 -0.0149 244 MET A CB 1453 C CG . MET A 182 ? 0.3856 0.2698 0.3241 -0.0186 -0.0094 0.0108 244 MET A CG 1454 S SD . MET A 182 ? 0.4054 0.3782 0.3676 0.0038 0.0738 0.0017 244 MET A SD 1455 C CE . MET A 182 ? 0.4898 0.2807 0.3935 -0.0233 0.0316 -0.0585 244 MET A CE 1456 N N . PRO A 183 ? 0.3393 0.2797 0.3647 -0.0388 0.0508 0.0225 245 PRO A N 1457 C CA . PRO A 183 ? 0.4181 0.2625 0.3675 -0.0376 0.0438 0.0401 245 PRO A CA 1458 C C . PRO A 183 ? 0.4327 0.2757 0.4013 -0.0575 0.0767 0.0526 245 PRO A C 1459 O O . PRO A 183 ? 0.3593 0.3165 0.3536 -0.0301 0.0901 -0.0108 245 PRO A O 1460 C CB . PRO A 183 ? 0.4294 0.3359 0.4006 -0.0580 0.0522 0.0029 245 PRO A CB 1461 C CG . PRO A 183 ? 0.4617 0.2823 0.3877 -0.0642 0.0544 0.0432 245 PRO A CG 1462 C CD . PRO A 183 ? 0.3741 0.2545 0.4036 -0.0516 0.0366 -0.0172 245 PRO A CD 1463 N N . PRO A 184 ? 0.4165 0.3151 0.4054 -0.0327 0.0630 0.0257 246 PRO A N 1464 C CA . PRO A 184 ? 0.4207 0.3040 0.4043 -0.0720 0.0530 0.0365 246 PRO A CA 1465 C C . PRO A 184 ? 0.4222 0.3461 0.4376 -0.0854 0.0499 0.0171 246 PRO A C 1466 O O . PRO A 184 ? 0.4296 0.3289 0.4608 -0.0416 0.1005 0.0140 246 PRO A O 1467 C CB . PRO A 184 ? 0.4561 0.3270 0.3812 -0.0577 0.0544 0.0473 246 PRO A CB 1468 C CG . PRO A 184 ? 0.4448 0.4218 0.4025 -0.0267 0.0782 0.0518 246 PRO A CG 1469 C CD . PRO A 184 ? 0.4671 0.3307 0.4109 -0.0815 0.0681 0.1333 246 PRO A CD 1470 N N . LYS A 185 ? 0.4126 0.3227 0.4296 -0.0973 0.0449 0.0468 247 LYS A N 1471 C CA . LYS A 185 ? 0.4560 0.3915 0.5118 -0.0917 0.0229 0.0111 247 LYS A CA 1472 C C . LYS A 185 ? 0.4674 0.4408 0.4989 -0.0966 0.0554 0.0273 247 LYS A C 1473 O O . LYS A 185 ? 0.4264 0.5195 0.6060 -0.1512 0.0688 0.0183 247 LYS A O 1474 C CB . LYS A 185 ? 0.4841 0.4038 0.5554 -0.0649 0.0704 0.0266 247 LYS A CB 1475 C CG . LYS A 185 ? 0.4966 0.4969 0.4282 -0.0918 0.0111 0.0580 247 LYS A CG 1476 C CD . LYS A 185 ? 0.4445 0.4797 0.6045 0.0461 0.0942 0.0291 247 LYS A CD 1477 C CE . LYS A 185 ? 0.5499 0.4960 0.5324 0.0463 -0.0012 -0.0406 247 LYS A CE 1478 N NZ . LYS A 185 ? 0.5492 0.5936 0.5344 -0.0977 -0.0777 -0.0565 247 LYS A NZ 1479 N N . GLY A 186 ? 0.5178 0.4631 0.5154 -0.1248 0.1020 0.0587 248 GLY A N 1480 C CA . GLY A 186 ? 0.5701 0.3860 0.5783 -0.1508 0.0412 0.0825 248 GLY A CA 1481 C C . GLY A 186 ? 0.5790 0.4800 0.5793 -0.2157 0.0744 0.1493 248 GLY A C 1482 O O . GLY A 186 ? 0.4820 0.4024 0.5386 -0.1141 0.1641 0.0683 248 GLY A O 1483 N N . SER A 187 ? 0.5977 0.4743 0.6204 -0.2382 0.1338 0.0982 249 SER A N 1484 C CA . SER A 187 ? 0.6455 0.3915 0.5865 -0.2086 0.1321 0.0860 249 SER A CA 1485 C C . SER A 187 ? 0.5677 0.3753 0.4871 -0.1325 0.1488 0.1012 249 SER A C 1486 O O . SER A 187 ? 0.4903 0.4892 0.5602 -0.0822 0.1126 0.0172 249 SER A O 1487 C CB . SER A 187 ? 0.7090 0.3946 0.6316 -0.1633 0.1427 0.1782 249 SER A CB 1488 O OG . SER A 187 ? 0.7731 0.4750 0.7350 -0.1542 0.1664 0.1568 249 SER A OG 1489 N N . SER A 188 ? 0.5374 0.4148 0.4933 -0.0856 0.1346 0.0704 250 SER A N 1490 C CA . SER A 188 ? 0.5257 0.4314 0.4935 -0.0894 0.1251 0.0604 250 SER A CA 1491 C C . SER A 188 ? 0.5186 0.3943 0.5293 -0.0933 0.1226 0.1075 250 SER A C 1492 O O . SER A 188 ? 0.5570 0.4615 0.5432 -0.1541 0.1713 0.1142 250 SER A O 1493 C CB . SER A 188 ? 0.4432 0.4028 0.5848 -0.0777 0.0929 -0.0062 250 SER A CB 1494 O OG . SER A 188 ? 0.5529 0.4628 0.5945 -0.0657 0.1349 0.0887 250 SER A OG 1495 N N . THR A 189 ? 0.4881 0.3936 0.5175 -0.1194 0.1719 0.1158 251 THR A N 1496 C CA . THR A 189 ? 0.4640 0.4672 0.5560 -0.0956 0.1565 0.0949 251 THR A CA 1497 C C . THR A 189 ? 0.4769 0.4157 0.5006 -0.0345 0.1779 0.0950 251 THR A C 1498 O O . THR A 189 ? 0.4959 0.4022 0.4623 -0.0644 0.2010 0.1064 251 THR A O 1499 C CB . THR A 189 ? 0.5175 0.4627 0.6005 -0.1069 0.1278 0.0848 251 THR A CB 1500 O OG1 . THR A 189 ? 0.5384 0.5370 0.5286 -0.0518 0.1414 0.1538 251 THR A OG1 1501 C CG2 . THR A 189 ? 0.6537 0.4576 0.6467 -0.1994 0.1527 0.1023 251 THR A CG2 1502 N N . PRO A 190 ? 0.5083 0.4066 0.5022 -0.0210 0.1772 0.1831 252 PRO A N 1503 C CA . PRO A 190 ? 0.4864 0.4082 0.5111 -0.0369 0.1911 0.1601 252 PRO A CA 1504 C C . PRO A 190 ? 0.4704 0.4183 0.4533 0.0230 0.2232 0.1509 252 PRO A C 1505 O O . PRO A 190 ? 0.5198 0.4989 0.4546 -0.0157 0.2184 0.2063 252 PRO A O 1506 C CB . PRO A 190 ? 0.5470 0.3472 0.4636 0.0354 0.2048 0.1484 252 PRO A CB 1507 C CG . PRO A 190 ? 0.5604 0.5736 0.5301 -0.1174 0.2233 0.1668 252 PRO A CG 1508 C CD . PRO A 190 ? 0.5105 0.5070 0.5542 -0.0516 0.2512 0.1170 252 PRO A CD 1509 N N . LEU A 191 ? 0.4847 0.4118 0.4553 0.0246 0.2304 0.1516 253 LEU A N 1510 C CA . LEU A 191 ? 0.5129 0.4047 0.3878 0.0631 0.1965 0.1838 253 LEU A CA 1511 C C . LEU A 191 ? 0.5289 0.4874 0.4561 0.0946 0.2226 0.1494 253 LEU A C 1512 O O . LEU A 191 ? 0.5051 0.3880 0.4542 0.0675 0.2351 0.1932 253 LEU A O 1513 C CB . LEU A 191 ? 0.5216 0.4106 0.4375 0.0568 0.2121 0.1464 253 LEU A CB 1514 C CG . LEU A 191 ? 0.5515 0.4113 0.4298 0.0350 0.2155 0.1956 253 LEU A CG 1515 C CD1 . LEU A 191 ? 0.5866 0.4559 0.4157 0.0173 0.1732 0.1767 253 LEU A CD1 1516 C CD2 . LEU A 191 ? 0.5956 0.4435 0.4604 0.0457 0.1659 0.1748 253 LEU A CD2 1517 N N . ALA A 192 ? 0.5485 0.5646 0.4702 0.1012 0.2156 0.2382 254 ALA A N 1518 C CA . ALA A 192 ? 0.5794 0.6471 0.5505 0.1626 0.2342 0.1357 254 ALA A CA 1519 C C . ALA A 192 ? 0.6056 0.6304 0.5037 0.1461 0.3075 0.1517 254 ALA A C 1520 O O . ALA A 192 ? 0.5935 0.5678 0.5145 0.1421 0.3152 0.1734 254 ALA A O 1521 C CB . ALA A 192 ? 0.4743 0.6980 0.4856 0.1570 0.3484 0.1544 254 ALA A CB 1522 N N . GLU A 193 ? 0.7023 0.6086 0.5389 0.1161 0.2932 0.1170 255 GLU A N 1523 C CA . GLU A 193 ? 0.6385 0.4799 0.6193 0.1464 0.2412 0.1538 255 GLU A CA 1524 C C . GLU A 193 ? 0.7507 0.4456 0.4487 0.1171 0.2822 0.1925 255 GLU A C 1525 O O . GLU A 193 ? 0.7329 0.4891 0.5237 0.2014 0.2596 0.1202 255 GLU A O 1526 C CB . GLU A 193 ? 0.8878 0.5868 0.6116 0.0332 0.2224 0.2573 255 GLU A CB 1527 C CG . GLU A 193 ? 0.8039 0.7045 0.5682 0.1592 0.2776 0.1401 255 GLU A CG 1528 C CD . GLU A 193 ? 0.9765 0.8530 0.6444 -0.0084 0.3707 -0.0002 255 GLU A CD 1529 O OE1 . GLU A 193 ? 1.0914 0.5392 0.9923 0.0570 0.3693 0.1760 255 GLU A OE1 1530 O OE2 . GLU A 193 ? 0.7649 0.5928 0.6594 0.0961 0.2709 0.1252 255 GLU A OE2 1531 N N . ASP A 194 ? 0.6954 0.4349 0.5182 0.1077 0.2225 0.1004 256 ASP A N 1532 C CA . ASP A 194 ? 0.7370 0.4432 0.3869 0.1332 0.2752 0.0706 256 ASP A CA 1533 C C . ASP A 194 ? 0.6151 0.3789 0.3964 0.1020 0.2097 0.1001 256 ASP A C 1534 O O . ASP A 194 ? 0.6067 0.3447 0.3252 0.0573 0.1963 0.1148 256 ASP A O 1535 C CB . ASP A 194 ? 0.6860 0.4614 0.4190 0.1123 0.2756 0.1410 256 ASP A CB 1536 C CG . ASP A 194 ? 0.8203 0.4173 0.3606 0.0580 0.1960 0.0952 256 ASP A CG 1537 O OD1 . ASP A 194 ? 0.7391 0.4254 0.3270 0.0073 0.2394 0.1297 256 ASP A OD1 1538 O OD2 . ASP A 194 ? 0.7693 0.4713 0.4136 -0.0033 0.2373 0.1358 256 ASP A OD2 1539 N N . PRO A 195 ? 0.6488 0.4733 0.3890 0.0490 0.1949 0.1678 257 PRO A N 1540 C CA . PRO A 195 ? 0.5692 0.4742 0.4029 0.0430 0.2508 0.1442 257 PRO A CA 1541 C C . PRO A 195 ? 0.6241 0.4167 0.3737 0.0412 0.2357 0.2033 257 PRO A C 1542 O O . PRO A 195 ? 0.5707 0.4053 0.3667 -0.0305 0.2480 0.1502 257 PRO A O 1543 C CB . PRO A 195 ? 0.6023 0.3326 0.4817 0.0015 0.1465 0.1742 257 PRO A CB 1544 C CG . PRO A 195 ? 0.5223 0.5430 0.4151 -0.0412 0.1598 0.0937 257 PRO A CG 1545 C CD . PRO A 195 ? 0.6401 0.4037 0.4398 0.0735 0.2148 0.2050 257 PRO A CD 1546 N N . ASN A 196 ? 0.6593 0.3965 0.3074 0.0507 0.2625 0.1694 258 ASN A N 1547 C CA . ASN A 196 ? 0.6232 0.4823 0.3413 0.0070 0.2259 0.1365 258 ASN A CA 1548 C C . ASN A 196 ? 0.6202 0.3965 0.3263 0.0254 0.2110 0.1643 258 ASN A C 1549 O O . ASN A 196 ? 0.6091 0.3482 0.2919 0.0381 0.1851 0.1268 258 ASN A O 1550 C CB . ASN A 196 ? 0.6152 0.4407 0.4272 0.0247 0.2329 0.1527 258 ASN A CB 1551 C CG . ASN A 196 ? 0.7470 0.4527 0.3712 0.0241 0.1792 0.1321 258 ASN A CG 1552 O OD1 . ASN A 196 ? 0.7262 0.4994 0.3210 0.0331 0.1836 0.2018 258 ASN A OD1 1553 N ND2 . ASN A 196 ? 0.8428 0.5509 0.3789 0.0172 0.2443 0.0835 258 ASN A ND2 1554 N N . TRP A 197 ? 0.5429 0.3126 0.3253 0.0285 0.1815 0.1041 259 TRP A N 1555 C CA . TRP A 197 ? 0.5402 0.3802 0.3521 0.0008 0.1867 0.1597 259 TRP A CA 1556 C C . TRP A 197 ? 0.5701 0.3644 0.3338 -0.0349 0.1982 0.1326 259 TRP A C 1557 O O . TRP A 197 ? 0.5283 0.3242 0.2900 0.0238 0.1911 0.1239 259 TRP A O 1558 C CB . TRP A 197 ? 0.4793 0.3551 0.3562 0.0357 0.1874 0.1144 259 TRP A CB 1559 C CG . TRP A 197 ? 0.5963 0.3892 0.3000 -0.0046 0.1987 0.1171 259 TRP A CG 1560 C CD1 . TRP A 197 ? 0.5608 0.3958 0.3554 0.0424 0.1780 0.0224 259 TRP A CD1 1561 C CD2 . TRP A 197 ? 0.5659 0.3523 0.2912 -0.0023 0.1648 0.1342 259 TRP A CD2 1562 N NE1 . TRP A 197 ? 0.5977 0.3867 0.2883 -0.0243 0.1615 0.1137 259 TRP A NE1 1563 C CE2 . TRP A 197 ? 0.6034 0.3636 0.3060 -0.0083 0.1924 0.0852 259 TRP A CE2 1564 C CE3 . TRP A 197 ? 0.5271 0.3731 0.2925 0.0247 0.1612 0.1198 259 TRP A CE3 1565 C CZ2 . TRP A 197 ? 0.5738 0.4241 0.3156 0.0001 0.1800 0.0797 259 TRP A CZ2 1566 C CZ3 . TRP A 197 ? 0.5252 0.3744 0.2470 0.0372 0.1307 0.1034 259 TRP A CZ3 1567 C CH2 . TRP A 197 ? 0.5537 0.4721 0.3293 -0.0341 0.1824 0.0265 259 TRP A CH2 1568 N N . SER A 198 ? 0.4852 0.3408 0.3861 0.0250 0.1935 0.1208 260 SER A N 1569 C CA . SER A 198 ? 0.4380 0.3494 0.4054 0.0064 0.1879 0.1074 260 SER A CA 1570 C C . SER A 198 ? 0.4728 0.3413 0.3818 -0.0081 0.1265 0.1041 260 SER A C 1571 O O . SER A 198 ? 0.5137 0.3218 0.3035 -0.0372 0.1597 0.1327 260 SER A O 1572 C CB . SER A 198 ? 0.5756 0.3059 0.4681 -0.0728 0.1278 0.1372 260 SER A CB 1573 O OG . SER A 198 ? 0.6118 0.3414 0.4113 -0.0096 0.1693 0.1083 260 SER A OG 1574 N N . VAL A 199 ? 0.4178 0.3227 0.3973 -0.0212 0.1404 0.1004 261 VAL A N 1575 C CA . VAL A 199 ? 0.4282 0.3398 0.3765 -0.0583 0.1225 0.0865 261 VAL A CA 1576 C C . VAL A 199 ? 0.4592 0.3204 0.4387 -0.0470 0.1146 0.0754 261 VAL A C 1577 O O . VAL A 199 ? 0.4407 0.3726 0.3846 -0.0726 0.1303 0.0580 261 VAL A O 1578 C CB . VAL A 199 ? 0.4586 0.3722 0.3793 -0.0403 0.1159 0.0875 261 VAL A CB 1579 C CG1 . VAL A 199 ? 0.4071 0.3486 0.3721 -0.0235 0.1533 0.0850 261 VAL A CG1 1580 C CG2 . VAL A 199 ? 0.4743 0.3561 0.3707 -0.0372 0.1275 0.1255 261 VAL A CG2 1581 N N . THR A 200 ? 0.4488 0.3474 0.3538 -0.0114 0.0703 0.1114 262 THR A N 1582 C CA . THR A 200 ? 0.4028 0.3586 0.3649 -0.0367 0.1127 0.0947 262 THR A CA 1583 C C . THR A 200 ? 0.3893 0.3054 0.3283 -0.0114 0.1048 0.0527 262 THR A C 1584 O O . THR A 200 ? 0.4201 0.3312 0.3029 -0.0367 0.0877 0.0938 262 THR A O 1585 C CB . THR A 200 ? 0.4676 0.3324 0.3755 -0.0068 0.0781 0.0877 262 THR A CB 1586 O OG1 . THR A 200 ? 0.4100 0.3401 0.3856 -0.0306 0.1010 0.0751 262 THR A OG1 1587 C CG2 . THR A 200 ? 0.4516 0.2744 0.3498 -0.0170 0.1390 0.1181 262 THR A CG2 1588 N N . GLU A 201 ? 0.3441 0.3493 0.3781 -0.0182 0.1214 0.0625 263 GLU A N 1589 C CA . GLU A 201 ? 0.4046 0.3720 0.3588 -0.0027 0.0612 0.0482 263 GLU A CA 1590 C C . GLU A 201 ? 0.3543 0.3290 0.3670 -0.0377 0.0696 0.0426 263 GLU A C 1591 O O . GLU A 201 ? 0.3704 0.3118 0.3635 -0.0463 0.0556 0.0255 263 GLU A O 1592 C CB . GLU A 201 ? 0.3830 0.4358 0.3977 -0.0397 0.0935 0.0022 263 GLU A CB 1593 C CG . GLU A 201 ? 0.4169 0.4849 0.4692 -0.0135 0.0886 0.0265 263 GLU A CG 1594 C CD . GLU A 201 ? 0.4471 0.4716 0.6319 -0.0586 0.0337 0.2018 263 GLU A CD 1595 O OE1 . GLU A 201 ? 0.4942 0.5170 0.7502 -0.0930 0.1222 0.1679 263 GLU A OE1 1596 O OE2 . GLU A 201 ? 0.4778 0.5245 0.5966 0.0225 0.0782 0.2019 263 GLU A OE2 1597 N N . PHE A 202 ? 0.4014 0.3072 0.3293 -0.0575 0.0500 0.0492 264 PHE A N 1598 C CA . PHE A 202 ? 0.3645 0.3293 0.3618 -0.0154 0.0458 0.0181 264 PHE A CA 1599 C C . PHE A 202 ? 0.3658 0.3095 0.3566 -0.0437 0.0666 0.0338 264 PHE A C 1600 O O . PHE A 202 ? 0.3607 0.2995 0.3621 -0.0257 0.0295 -0.0097 264 PHE A O 1601 C CB . PHE A 202 ? 0.3610 0.2808 0.3333 -0.0030 0.0536 -0.0322 264 PHE A CB 1602 C CG . PHE A 202 ? 0.3806 0.3199 0.3407 -0.0215 0.0555 0.0151 264 PHE A CG 1603 C CD1 . PHE A 202 ? 0.3716 0.2992 0.3237 -0.0383 0.0781 0.0320 264 PHE A CD1 1604 C CD2 . PHE A 202 ? 0.3748 0.2632 0.3678 -0.0180 0.0373 0.0313 264 PHE A CD2 1605 C CE1 . PHE A 202 ? 0.3399 0.3425 0.3444 -0.0393 0.0696 0.0340 264 PHE A CE1 1606 C CE2 . PHE A 202 ? 0.3771 0.2880 0.3211 -0.0392 0.0621 0.0223 264 PHE A CE2 1607 C CZ . PHE A 202 ? 0.3673 0.2909 0.3706 -0.0247 0.0334 0.0472 264 PHE A CZ 1608 N N . GLU A 203 ? 0.3676 0.3114 0.3815 -0.0711 0.0275 0.0164 265 GLU A N 1609 C CA . GLU A 203 ? 0.3956 0.3296 0.3538 -0.0998 0.0514 0.0179 265 GLU A CA 1610 C C . GLU A 203 ? 0.3741 0.2590 0.3183 -0.0473 0.0536 -0.0069 265 GLU A C 1611 O O . GLU A 203 ? 0.3724 0.2848 0.3147 -0.0606 0.0396 -0.0241 265 GLU A O 1612 C CB . GLU A 203 ? 0.3895 0.3087 0.3304 -0.0352 0.0225 0.0356 265 GLU A CB 1613 C CG . GLU A 203 ? 0.4319 0.3508 0.4273 -0.0767 0.0163 0.0417 265 GLU A CG 1614 C CD . GLU A 203 ? 0.4868 0.4403 0.5850 -0.0908 -0.0160 0.0833 265 GLU A CD 1615 O OE1 . GLU A 203 ? 0.5808 0.4804 0.6037 -0.1318 0.0184 0.0546 265 GLU A OE1 1616 O OE2 . GLU A 203 ? 0.4779 0.4558 0.5978 -0.0443 0.0202 0.0452 265 GLU A OE2 1617 N N . THR A 204 ? 0.3370 0.2944 0.3050 -0.0492 0.0534 -0.0192 266 THR A N 1618 C CA . THR A 204 ? 0.3304 0.3373 0.3346 -0.0238 0.0284 0.0339 266 THR A CA 1619 C C . THR A 204 ? 0.3661 0.3172 0.2983 -0.0483 0.0663 0.0242 266 THR A C 1620 O O . THR A 204 ? 0.3382 0.3256 0.3262 -0.0417 0.0263 -0.0126 266 THR A O 1621 C CB . THR A 204 ? 0.3741 0.3617 0.3643 -0.0050 0.0044 0.0391 266 THR A CB 1622 O OG1 . THR A 204 ? 0.3470 0.3693 0.2928 -0.0704 -0.0115 -0.0024 266 THR A OG1 1623 C CG2 . THR A 204 ? 0.3607 0.4036 0.3121 -0.0395 0.0304 0.0335 266 THR A CG2 1624 N N . THR A 205 ? 0.3380 0.3102 0.3111 -0.0334 0.0415 -0.0039 267 THR A N 1625 C CA . THR A 205 ? 0.3758 0.3196 0.2805 -0.0265 0.0506 0.0004 267 THR A CA 1626 C C . THR A 205 ? 0.3695 0.2995 0.2877 -0.0429 0.0167 -0.0218 267 THR A C 1627 O O . THR A 205 ? 0.3218 0.3324 0.2511 -0.0531 0.0354 -0.0178 267 THR A O 1628 C CB . THR A 205 ? 0.3265 0.3068 0.2822 -0.0097 0.0404 0.0158 267 THR A CB 1629 O OG1 . THR A 205 ? 0.3311 0.2718 0.2755 -0.0597 0.0799 0.0101 267 THR A OG1 1630 C CG2 . THR A 205 ? 0.3511 0.3347 0.2995 0.0050 -0.0080 -0.0311 267 THR A CG2 1631 N N . PRO A 206 ? 0.3714 0.2860 0.2911 -0.0293 0.0129 -0.0458 268 PRO A N 1632 C CA . PRO A 206 ? 0.3666 0.2854 0.2934 -0.0110 0.0214 -0.0397 268 PRO A CA 1633 C C . PRO A 206 ? 0.3107 0.3055 0.2919 -0.0309 0.0475 -0.0087 268 PRO A C 1634 O O . PRO A 206 ? 0.3578 0.2983 0.2637 -0.0141 0.0539 -0.0074 268 PRO A O 1635 C CB . PRO A 206 ? 0.3586 0.2875 0.2740 0.0000 0.0419 -0.0246 268 PRO A CB 1636 C CG . PRO A 206 ? 0.4068 0.3080 0.3015 0.0349 0.0734 -0.0231 268 PRO A CG 1637 C CD . PRO A 206 ? 0.3941 0.3169 0.3101 0.0092 0.0367 -0.0494 268 PRO A CD 1638 N N . VAL A 207 ? 0.3189 0.3042 0.2753 0.0124 0.0385 -0.0020 269 VAL A N 1639 C CA . VAL A 207 ? 0.3596 0.3065 0.2713 -0.0088 0.0283 -0.0216 269 VAL A CA 1640 C C . VAL A 207 ? 0.3568 0.2885 0.2643 -0.0108 0.0290 -0.0017 269 VAL A C 1641 O O . VAL A 207 ? 0.3593 0.2771 0.2504 -0.0163 0.0320 -0.0358 269 VAL A O 1642 C CB . VAL A 207 ? 0.3837 0.3235 0.2978 0.0000 0.0148 0.0005 269 VAL A CB 1643 C CG1 . VAL A 207 ? 0.3486 0.3611 0.2897 -0.0283 0.0166 0.0048 269 VAL A CG1 1644 C CG2 . VAL A 207 ? 0.3906 0.3659 0.2526 -0.0317 0.0424 -0.0379 269 VAL A CG2 1645 N N . MET A 208 ? 0.3632 0.2991 0.1927 -0.0236 0.0430 0.0145 270 MET A N 1646 C CA . MET A 208 ? 0.3531 0.2642 0.2437 -0.0128 0.0307 -0.0088 270 MET A CA 1647 C C . MET A 208 ? 0.3894 0.2551 0.2189 -0.0232 0.0504 -0.0008 270 MET A C 1648 O O . MET A 208 ? 0.3727 0.2846 0.1993 -0.0157 0.0702 0.0079 270 MET A O 1649 C CB . MET A 208 ? 0.2977 0.2522 0.2294 -0.0127 0.0292 -0.0108 270 MET A CB 1650 C CG . MET A 208 ? 0.3290 0.2378 0.2655 -0.0020 0.0468 -0.0177 270 MET A CG 1651 S SD . MET A 208 ? 0.3913 0.2890 0.2528 -0.0263 0.0542 0.0053 270 MET A SD 1652 C CE . MET A 208 ? 0.3607 0.2427 0.2970 -0.0075 0.0351 -0.0067 270 MET A CE 1653 N N . SER A 209 ? 0.3626 0.2825 0.1939 -0.0144 0.0543 -0.0503 271 SER A N 1654 C CA . SER A 209 ? 0.3700 0.2625 0.2284 -0.0206 0.0666 -0.0230 271 SER A CA 1655 C C . SER A 209 ? 0.3333 0.2635 0.2156 -0.0118 0.0755 -0.0133 271 SER A C 1656 O O . SER A 209 ? 0.3661 0.2256 0.2154 -0.0422 0.0862 -0.0368 271 SER A O 1657 C CB . SER A 209 ? 0.3571 0.3052 0.2306 -0.0228 0.0739 -0.0681 271 SER A CB 1658 O OG . SER A 209 ? 0.3349 0.2741 0.2267 -0.0208 0.0775 -0.0073 271 SER A OG 1659 N N . THR A 210 ? 0.3681 0.2459 0.2218 -0.0096 0.0738 0.0082 272 THR A N 1660 C CA . THR A 210 ? 0.3695 0.2395 0.2250 0.0003 0.0640 -0.0105 272 THR A CA 1661 C C . THR A 210 ? 0.3757 0.2369 0.2489 -0.0064 0.0516 -0.0005 272 THR A C 1662 O O . THR A 210 ? 0.3448 0.2606 0.2200 -0.0123 0.0645 -0.0230 272 THR A O 1663 C CB . THR A 210 ? 0.3786 0.2410 0.2353 -0.0107 0.0638 -0.0125 272 THR A CB 1664 O OG1 . THR A 210 ? 0.3831 0.2330 0.2100 -0.0152 0.1071 -0.0352 272 THR A OG1 1665 C CG2 . THR A 210 ? 0.3829 0.2481 0.2142 -0.0027 0.0552 -0.0130 272 THR A CG2 1666 N N . TYR A 211 ? 0.3743 0.2584 0.2403 -0.0138 0.0819 -0.0254 273 TYR A N 1667 C CA . TYR A 211 ? 0.3733 0.2630 0.2371 -0.0033 0.0904 -0.0058 273 TYR A CA 1668 C C . TYR A 211 ? 0.3552 0.2547 0.2072 -0.0159 0.0874 -0.0253 273 TYR A C 1669 O O . TYR A 211 ? 0.3733 0.2739 0.2432 -0.0163 0.0475 -0.0108 273 TYR A O 1670 C CB . TYR A 211 ? 0.3673 0.2595 0.2406 -0.0276 0.0761 -0.0091 273 TYR A CB 1671 C CG . TYR A 211 ? 0.3527 0.2534 0.2472 -0.0465 0.0848 -0.0096 273 TYR A CG 1672 C CD1 . TYR A 211 ? 0.3647 0.2821 0.2596 -0.0023 0.0851 -0.0208 273 TYR A CD1 1673 C CD2 . TYR A 211 ? 0.3498 0.2769 0.2747 -0.0222 0.0677 -0.0268 273 TYR A CD2 1674 C CE1 . TYR A 211 ? 0.3594 0.2606 0.2481 -0.0509 0.0918 -0.0254 273 TYR A CE1 1675 C CE2 . TYR A 211 ? 0.3396 0.3161 0.2548 -0.0423 0.0568 -0.0297 273 TYR A CE2 1676 C CZ . TYR A 211 ? 0.3944 0.2892 0.2463 -0.0178 0.0799 -0.0240 273 TYR A CZ 1677 O OH . TYR A 211 ? 0.4300 0.2618 0.2560 -0.0124 0.1048 -0.0275 273 TYR A OH 1678 N N . LEU A 212 ? 0.3504 0.2587 0.1540 -0.0201 0.0924 -0.0133 274 LEU A N 1679 C CA . LEU A 212 ? 0.3520 0.2580 0.2088 -0.0317 0.0717 -0.0150 274 LEU A CA 1680 C C . LEU A 212 ? 0.3337 0.2499 0.2220 -0.0190 0.0502 -0.0015 274 LEU A C 1681 O O . LEU A 212 ? 0.3167 0.2408 0.2505 -0.0172 0.0716 0.0071 274 LEU A O 1682 C CB . LEU A 212 ? 0.3460 0.2405 0.2201 -0.0306 0.0441 -0.0132 274 LEU A CB 1683 C CG . LEU A 212 ? 0.3509 0.2634 0.2340 -0.0027 0.0501 -0.0096 274 LEU A CG 1684 C CD1 . LEU A 212 ? 0.3490 0.2524 0.2433 0.0077 0.0469 -0.0254 274 LEU A CD1 1685 C CD2 . LEU A 212 ? 0.3517 0.2525 0.2151 -0.0007 0.0417 -0.0208 274 LEU A CD2 1686 N N . LEU A 213 ? 0.3491 0.2693 0.2289 0.0050 0.0538 -0.0005 275 LEU A N 1687 C CA . LEU A 213 ? 0.3571 0.2720 0.2542 -0.0071 0.0682 -0.0036 275 LEU A CA 1688 C C . LEU A 213 ? 0.3745 0.2567 0.2412 0.0003 0.0758 -0.0099 275 LEU A C 1689 O O . LEU A 213 ? 0.3753 0.2711 0.2601 -0.0405 0.0639 -0.0124 275 LEU A O 1690 C CB . LEU A 213 ? 0.3522 0.2489 0.2654 -0.0158 0.0497 0.0096 275 LEU A CB 1691 C CG . LEU A 213 ? 0.3796 0.2678 0.2710 -0.0096 0.0434 0.0092 275 LEU A CG 1692 C CD1 . LEU A 213 ? 0.3625 0.2976 0.2738 -0.0067 0.0418 -0.0352 275 LEU A CD1 1693 C CD2 . LEU A 213 ? 0.3566 0.2520 0.2475 -0.0004 0.0389 0.0141 275 LEU A CD2 1694 N N . ALA A 214 ? 0.3570 0.2553 0.2524 -0.0024 0.0694 -0.0190 276 ALA A N 1695 C CA . ALA A 214 ? 0.3712 0.2360 0.2808 -0.0160 0.0698 0.0433 276 ALA A CA 1696 C C . ALA A 214 ? 0.3629 0.2598 0.2572 -0.0022 0.0530 0.0261 276 ALA A C 1697 O O . ALA A 214 ? 0.3728 0.2497 0.2667 -0.0033 0.0736 0.0484 276 ALA A O 1698 C CB . ALA A 214 ? 0.3226 0.2455 0.2671 -0.0214 0.0445 0.0014 276 ALA A CB 1699 N N . TYR A 215 ? 0.3512 0.2818 0.2562 -0.0386 0.0443 0.0188 277 TYR A N 1700 C CA . TYR A 215 ? 0.3862 0.3095 0.2596 0.0041 0.0618 0.0297 277 TYR A CA 1701 C C . TYR A 215 ? 0.3757 0.2860 0.2479 0.0067 0.0760 0.0220 277 TYR A C 1702 O O . TYR A 215 ? 0.4057 0.2958 0.2296 -0.0217 0.0763 0.0079 277 TYR A O 1703 C CB . TYR A 215 ? 0.3251 0.3031 0.2364 -0.0155 0.0594 0.0672 277 TYR A CB 1704 C CG . TYR A 215 ? 0.3555 0.2887 0.2571 0.0227 0.0395 0.0381 277 TYR A CG 1705 C CD1 . TYR A 215 ? 0.3965 0.2917 0.2740 -0.0003 0.0963 0.0363 277 TYR A CD1 1706 C CD2 . TYR A 215 ? 0.3522 0.2936 0.2524 0.0196 0.0569 0.0414 277 TYR A CD2 1707 C CE1 . TYR A 215 ? 0.3410 0.2872 0.2609 0.0492 0.0792 0.0174 277 TYR A CE1 1708 C CE2 . TYR A 215 ? 0.3628 0.2931 0.2850 0.0035 0.0726 0.0088 277 TYR A CE2 1709 C CZ . TYR A 215 ? 0.3927 0.2893 0.2570 -0.0092 0.0839 0.0321 277 TYR A CZ 1710 O OH . TYR A 215 ? 0.4057 0.3043 0.3443 0.0121 0.0751 0.0268 277 TYR A OH 1711 N N . ILE A 216 ? 0.3570 0.2863 0.2800 0.0187 0.0868 0.0410 278 ILE A N 1712 C CA . ILE A 216 ? 0.4133 0.2791 0.2545 0.0011 0.0715 0.0276 278 ILE A CA 1713 C C . ILE A 216 ? 0.4236 0.2841 0.3028 -0.0106 0.0742 0.0354 278 ILE A C 1714 O O . ILE A 216 ? 0.4229 0.3185 0.2616 -0.0196 0.0983 0.0505 278 ILE A O 1715 C CB . ILE A 216 ? 0.3921 0.2935 0.3007 0.0072 0.0575 0.0125 278 ILE A CB 1716 C CG1 . ILE A 216 ? 0.4398 0.2778 0.2778 0.0061 0.0534 0.0211 278 ILE A CG1 1717 C CG2 . ILE A 216 ? 0.3892 0.3002 0.2892 0.0477 0.1164 0.0839 278 ILE A CG2 1718 C CD1 . ILE A 216 ? 0.3845 0.3160 0.3246 0.0281 0.0460 0.0304 278 ILE A CD1 1719 N N . VAL A 217 ? 0.4279 0.3033 0.2546 0.0428 0.0873 0.0461 279 VAL A N 1720 C CA . VAL A 217 ? 0.4702 0.3062 0.2681 0.0190 0.0838 0.0601 279 VAL A CA 1721 C C . VAL A 217 ? 0.4475 0.3312 0.2799 0.0492 0.0997 0.0708 279 VAL A C 1722 O O . VAL A 217 ? 0.5206 0.2900 0.2883 0.0167 0.0842 0.0702 279 VAL A O 1723 C CB . VAL A 217 ? 0.4679 0.3285 0.2404 0.0089 0.1097 0.0791 279 VAL A CB 1724 C CG1 . VAL A 217 ? 0.4871 0.3580 0.2489 0.0246 0.1241 0.0989 279 VAL A CG1 1725 C CG2 . VAL A 217 ? 0.4111 0.2981 0.2518 0.0177 0.1629 0.1056 279 VAL A CG2 1726 N N . SER A 218 ? 0.4340 0.3242 0.2804 0.0451 0.1163 0.0795 280 SER A N 1727 C CA . SER A 218 ? 0.5120 0.3344 0.3364 0.0676 0.0692 0.0969 280 SER A CA 1728 C C . SER A 218 ? 0.5164 0.3421 0.3245 0.0779 0.0960 0.1048 280 SER A C 1729 O O . SER A 218 ? 0.5329 0.3373 0.3817 0.0493 0.1128 0.1256 280 SER A O 1730 C CB . SER A 218 ? 0.5069 0.4026 0.2961 0.0268 0.0875 0.0932 280 SER A CB 1731 O OG . SER A 218 ? 0.4987 0.2966 0.3464 0.0383 0.1116 0.0975 280 SER A OG 1732 N N . GLU A 219 ? 0.6194 0.3801 0.2982 0.1156 0.1284 0.1530 281 GLU A N 1733 C CA . GLU A 219 ? 0.5341 0.3641 0.4105 0.0961 0.1073 0.1440 281 GLU A CA 1734 C C . GLU A 219 ? 0.5734 0.3870 0.3902 0.0761 0.1020 0.1488 281 GLU A C 1735 O O . GLU A 219 ? 0.5510 0.3566 0.4041 0.1021 0.2190 0.1136 281 GLU A O 1736 C CB . GLU A 219 ? 0.7764 0.3861 0.3246 0.0397 0.1434 0.2122 281 GLU A CB 1737 C CG . GLU A 219 ? 0.7202 0.5738 0.3888 0.0943 0.0729 0.1254 281 GLU A CG 1738 C CD . GLU A 219 ? 0.7701 0.6736 0.3980 0.1911 0.0822 0.1697 281 GLU A CD 1739 O OE1 . GLU A 219 ? 0.7867 0.5896 0.4063 0.1905 0.0432 0.1660 281 GLU A OE1 1740 O OE2 . GLU A 219 ? 0.7625 0.7256 0.4657 0.1367 0.1086 0.0516 281 GLU A OE2 1741 N N . PHE A 220 ? 0.5154 0.3708 0.4098 0.0410 0.1241 0.1428 282 PHE A N 1742 C CA . PHE A 220 ? 0.5644 0.3549 0.4290 0.0656 0.0929 0.1236 282 PHE A CA 1743 C C . PHE A 220 ? 0.5907 0.3562 0.3907 0.0784 0.1066 0.1152 282 PHE A C 1744 O O . PHE A 220 ? 0.6011 0.3023 0.4723 0.0562 0.1347 0.0952 282 PHE A O 1745 C CB . PHE A 220 ? 0.5641 0.3695 0.2758 0.1115 0.0407 0.0809 282 PHE A CB 1746 C CG . PHE A 220 ? 0.5778 0.4636 0.3844 0.0444 0.1015 0.0892 282 PHE A CG 1747 C CD1 . PHE A 220 ? 0.5217 0.3667 0.3927 0.0845 0.0721 0.1381 282 PHE A CD1 1748 C CD2 . PHE A 220 ? 0.6046 0.3575 0.3338 0.0450 0.0818 0.0717 282 PHE A CD2 1749 C CE1 . PHE A 220 ? 0.5854 0.3218 0.3663 0.0833 0.0856 0.0607 282 PHE A CE1 1750 C CE2 . PHE A 220 ? 0.5628 0.3306 0.3967 0.1006 0.0343 0.1063 282 PHE A CE2 1751 C CZ . PHE A 220 ? 0.5514 0.3667 0.3807 0.0159 0.0669 0.1143 282 PHE A CZ 1752 N N . GLN A 221 ? 0.5570 0.3312 0.4510 0.0820 0.1146 0.1739 283 GLN A N 1753 C CA . GLN A 221 ? 0.6181 0.3779 0.4499 0.0539 0.1753 0.1298 283 GLN A CA 1754 C C . GLN A 221 ? 0.5806 0.3449 0.5038 0.0790 0.1910 0.0967 283 GLN A C 1755 O O . GLN A 221 ? 0.5630 0.3270 0.4249 0.0531 0.1427 0.0977 283 GLN A O 1756 C CB . GLN A 221 ? 0.6365 0.3696 0.5147 -0.0137 0.1264 0.1580 283 GLN A CB 1757 C CG . GLN A 221 ? 0.7038 0.3456 0.5099 0.0101 0.1364 0.1364 283 GLN A CG 1758 C CD . GLN A 221 ? 0.7428 0.4547 0.5198 0.1035 0.1335 0.1538 283 GLN A CD 1759 O OE1 . GLN A 221 ? 0.7688 0.4542 0.5788 0.0754 0.1912 0.1242 283 GLN A OE1 1760 N NE2 . GLN A 221 ? 0.8180 0.4646 0.5237 0.0092 0.1571 0.2502 283 GLN A NE2 1761 N N . SER A 222 ? 0.5672 0.2733 0.4853 0.0141 0.1957 0.1726 284 SER A N 1762 C CA . SER A 222 ? 0.5588 0.3329 0.5123 0.0214 0.1149 0.0947 284 SER A CA 1763 C C . SER A 222 ? 0.5996 0.3039 0.5344 0.0105 0.1583 0.1728 284 SER A C 1764 O O . SER A 222 ? 0.5892 0.2610 0.5378 0.0085 0.1679 0.1479 284 SER A O 1765 C CB . SER A 222 ? 0.5282 0.2847 0.5264 0.0573 0.1409 0.1065 284 SER A CB 1766 O OG . SER A 222 ? 0.5851 0.2832 0.5288 0.0177 0.1270 0.0605 284 SER A OG 1767 N N . VAL A 223 ? 0.5263 0.3172 0.5858 0.0226 0.1718 0.1415 285 VAL A N 1768 C CA . VAL A 223 ? 0.5553 0.2884 0.6042 0.0016 0.1659 0.1336 285 VAL A CA 1769 C C . VAL A 223 ? 0.5173 0.2691 0.6495 0.0020 0.1232 0.1169 285 VAL A C 1770 O O . VAL A 223 ? 0.5417 0.2155 0.5827 0.0548 0.1101 0.0887 285 VAL A O 1771 C CB . VAL A 223 ? 0.6080 0.2928 0.5991 0.0509 0.1058 0.1042 285 VAL A CB 1772 C CG1 . VAL A 223 ? 0.7070 0.2786 0.6334 0.0603 0.1354 0.1391 285 VAL A CG1 1773 C CG2 . VAL A 223 ? 0.5613 0.3215 0.5762 0.0493 0.1033 0.0726 285 VAL A CG2 1774 N N . ASN A 224 ? 0.4828 0.1917 0.6802 0.0185 0.1663 0.0606 286 ASN A N 1775 C CA . ASN A 224 ? 0.5658 0.2629 0.6104 -0.0604 0.1383 0.0468 286 ASN A CA 1776 C C . ASN A 224 ? 0.5544 0.2553 0.6599 -0.0023 0.1311 0.0385 286 ASN A C 1777 O O . ASN A 224 ? 0.6132 0.2171 0.6361 -0.0374 0.1130 -0.0014 286 ASN A O 1778 C CB . ASN A 224 ? 0.5472 0.4209 0.7044 0.0298 0.0614 -0.0654 286 ASN A CB 1779 C CG . ASN A 224 ? 0.6032 0.5489 0.7669 -0.1230 0.2754 -0.0329 286 ASN A CG 1780 O OD1 . ASN A 224 ? 0.6959 0.4476 0.8494 -0.0185 0.0469 0.0328 286 ASN A OD1 1781 N ND2 . ASN A 224 ? 0.6697 0.5036 0.8260 -0.2433 0.1687 0.2074 286 ASN A ND2 1782 N N . GLU A 225 ? 0.5665 0.2689 0.7056 -0.0406 0.0597 0.0043 287 GLU A N 1783 C CA . GLU A 225 ? 0.6143 0.3861 0.6601 -0.0496 0.0844 0.0155 287 GLU A CA 1784 C C . GLU A 225 ? 0.5723 0.2728 0.6873 -0.0641 0.0799 -0.0244 287 GLU A C 1785 O O . GLU A 225 ? 0.5755 0.2579 0.6059 -0.0735 0.0408 -0.0041 287 GLU A O 1786 C CB . GLU A 225 ? 0.6310 0.4777 0.8258 -0.0241 0.0635 -0.1556 287 GLU A CB 1787 C CG . GLU A 225 ? 0.7204 0.5572 0.8399 0.0082 0.1468 -0.1689 287 GLU A CG 1788 C CD . GLU A 225 ? 0.7499 0.4332 1.1060 -0.0021 0.2914 0.0472 287 GLU A CD 1789 O OE1 . GLU A 225 ? 0.7907 0.4637 1.0597 -0.1626 0.0425 0.0828 287 GLU A OE1 1790 O OE2 . GLU A 225 ? 1.1527 0.4498 1.0045 0.1082 0.1557 -0.0551 287 GLU A OE2 1791 N N . THR A 226 ? 0.6378 0.2960 0.7878 -0.1043 0.0856 -0.0842 288 THR A N 1792 C CA . THR A 226 ? 0.6167 0.4152 0.7686 -0.0580 0.1085 -0.0957 288 THR A CA 1793 C C . THR A 226 ? 0.7763 0.2441 0.7424 -0.0991 0.0997 -0.1367 288 THR A C 1794 O O . THR A 226 ? 0.6863 0.2172 0.7743 -0.0382 -0.0860 -0.0789 288 THR A O 1795 C CB . THR A 226 ? 0.6119 0.4696 0.7407 -0.0917 0.0728 -0.0302 288 THR A CB 1796 O OG1 . THR A 226 ? 0.5735 0.5711 0.8644 -0.0017 0.1447 -0.0820 288 THR A OG1 1797 C CG2 . THR A 226 ? 0.6745 0.4739 0.7714 -0.0527 0.0394 -0.0636 288 THR A CG2 1798 N N . ALA A 227 ? 0.6802 0.3295 0.7141 -0.1615 0.0556 -0.1067 289 ALA A N 1799 C CA . ALA A 227 ? 0.6511 0.3573 0.8311 -0.1322 0.1334 -0.1790 289 ALA A CA 1800 C C . ALA A 227 ? 0.5983 0.6265 0.8696 -0.0113 0.0234 -0.1607 289 ALA A C 1801 O O . ALA A 227 ? 0.5613 0.4451 0.8650 -0.1227 0.0320 -0.0152 289 ALA A O 1802 C CB . ALA A 227 ? 0.7308 0.3751 0.6888 -0.0675 0.1531 -0.1118 289 ALA A CB 1803 N N . GLN A 228 ? 0.7816 0.5901 0.8440 -0.0284 0.0149 -0.1122 290 GLN A N 1804 C CA . GLN A 228 ? 0.7938 0.5747 1.0019 -0.0093 0.0243 -0.1906 290 GLN A CA 1805 C C . GLN A 228 ? 0.6645 0.5584 1.1041 -0.1047 -0.0111 -0.1456 290 GLN A C 1806 O O . GLN A 228 ? 0.7401 0.5653 1.0173 -0.1810 -0.0867 -0.1923 290 GLN A O 1807 C CB . GLN A 228 ? 1.0088 0.6778 1.0000 0.0681 0.0967 -0.1779 290 GLN A CB 1808 C CG . GLN A 228 ? 0.8549 0.6276 1.2229 0.1506 0.0532 -0.2642 290 GLN A CG 1809 C CD . GLN A 228 ? 0.6045 0.4247 1.3286 -0.3268 -0.0374 -0.4135 290 GLN A CD 1810 O OE1 . GLN A 228 ? 0.7822 0.4172 1.5220 -0.3350 -0.2653 -0.3879 290 GLN A OE1 1811 N NE2 . GLN A 228 ? 0.8118 0.6744 1.2661 -0.2299 0.1476 -0.3206 290 GLN A NE2 1812 N N . ASN A 229 ? 0.7552 0.5407 0.9834 0.0193 -0.0081 -0.0779 291 ASN A N 1813 C CA . ASN A 229 ? 0.6234 0.4762 0.8266 -0.0895 -0.0119 -0.1549 291 ASN A CA 1814 C C . ASN A 229 ? 0.8493 0.4714 0.8255 -0.0444 0.0208 -0.1418 291 ASN A C 1815 O O . ASN A 229 ? 0.7798 0.5906 0.9544 -0.0626 -0.0865 -0.0065 291 ASN A O 1816 C CB . ASN A 229 ? 0.7681 0.5783 0.8162 -0.1736 -0.0012 -0.0910 291 ASN A CB 1817 C CG . ASN A 229 ? 0.6661 0.7337 0.8032 -0.1197 0.0174 -0.1173 291 ASN A CG 1818 O OD1 . ASN A 229 ? 0.7296 0.6811 0.7713 -0.0163 0.0936 0.0005 291 ASN A OD1 1819 N ND2 . ASN A 229 ? 0.7585 0.6580 0.8277 -0.1167 0.0687 -0.1355 291 ASN A ND2 1820 N N . GLY A 230 ? 0.8477 0.4305 0.8017 -0.0172 -0.0308 -0.2305 292 GLY A N 1821 C CA . GLY A 230 ? 0.6430 0.4697 0.7789 -0.0908 -0.0130 -0.1818 292 GLY A CA 1822 C C . GLY A 230 ? 0.5985 0.3990 0.7578 -0.1257 0.0233 -0.0992 292 GLY A C 1823 O O . GLY A 230 ? 0.5951 0.4607 0.7965 -0.0377 0.0149 -0.1277 292 GLY A O 1824 N N . VAL A 231 ? 0.5815 0.4320 0.6272 -0.0992 0.0102 -0.0781 293 VAL A N 1825 C CA . VAL A 231 ? 0.5710 0.3912 0.6576 -0.0872 -0.0248 -0.0277 293 VAL A CA 1826 C C . VAL A 231 ? 0.6088 0.4419 0.5791 -0.0125 -0.0175 -0.1095 293 VAL A C 1827 O O . VAL A 231 ? 0.6314 0.3351 0.6646 -0.0423 0.0226 -0.1044 293 VAL A O 1828 C CB . VAL A 231 ? 0.5632 0.3906 0.5734 -0.0719 -0.0335 -0.0343 293 VAL A CB 1829 C CG1 . VAL A 231 ? 0.5760 0.3154 0.6137 -0.0913 0.0042 -0.0624 293 VAL A CG1 1830 C CG2 . VAL A 231 ? 0.6610 0.4504 0.5624 -0.0877 -0.1311 -0.0654 293 VAL A CG2 1831 N N . LEU A 232 ? 0.4484 0.2513 0.5984 -0.0961 0.0414 -0.0421 294 LEU A N 1832 C CA . LEU A 232 ? 0.4943 0.3101 0.5514 -0.1198 0.0491 -0.0435 294 LEU A CA 1833 C C . LEU A 232 ? 0.4356 0.3150 0.5833 -0.1013 0.0837 0.0632 294 LEU A C 1834 O O . LEU A 232 ? 0.4623 0.2732 0.5945 -0.0541 0.0448 -0.0283 294 LEU A O 1835 C CB . LEU A 232 ? 0.4706 0.4046 0.6296 -0.0243 0.0466 -0.0418 294 LEU A CB 1836 C CG . LEU A 232 ? 0.5945 0.4340 0.6577 -0.0013 0.1137 -0.0126 294 LEU A CG 1837 C CD1 . LEU A 232 ? 0.6259 0.4019 0.7400 -0.0648 0.1430 0.0117 294 LEU A CD1 1838 C CD2 . LEU A 232 ? 0.6194 0.5710 0.7793 0.1207 0.1410 0.0464 294 LEU A CD2 1839 N N . ILE A 233 ? 0.4487 0.2975 0.5780 -0.0264 0.0772 -0.0278 295 ILE A N 1840 C CA . ILE A 233 ? 0.4685 0.3053 0.5251 -0.0477 0.0500 0.0008 295 ILE A CA 1841 C C . ILE A 233 ? 0.4732 0.2668 0.5466 -0.0401 0.0610 0.0250 295 ILE A C 1842 O O . ILE A 233 ? 0.4610 0.2486 0.5301 -0.0753 0.0620 0.0106 295 ILE A O 1843 C CB . ILE A 233 ? 0.4680 0.3107 0.5215 -0.0854 0.0931 -0.0105 295 ILE A CB 1844 C CG1 . ILE A 233 ? 0.5391 0.3112 0.5375 -0.0293 0.0853 -0.0310 295 ILE A CG1 1845 C CG2 . ILE A 233 ? 0.4611 0.3335 0.5531 -0.0433 0.0545 -0.0526 295 ILE A CG2 1846 C CD1 . ILE A 233 ? 0.5532 0.3262 0.5817 -0.0030 0.0638 -0.0545 295 ILE A CD1 1847 N N . ARG A 234 ? 0.3911 0.2641 0.4909 0.0077 0.0995 -0.0047 296 ARG A N 1848 C CA . ARG A 234 ? 0.4668 0.2699 0.4861 -0.0482 0.1088 0.0291 296 ARG A CA 1849 C C . ARG A 234 ? 0.3760 0.2755 0.4586 -0.0019 0.0977 0.0344 296 ARG A C 1850 O O . ARG A 234 ? 0.3872 0.2530 0.4730 -0.0030 0.0530 0.0222 296 ARG A O 1851 C CB . ARG A 234 ? 0.4330 0.2876 0.5023 -0.0232 0.1118 0.0427 296 ARG A CB 1852 C CG . ARG A 234 ? 0.4847 0.2403 0.5958 -0.0102 0.0694 -0.0021 296 ARG A CG 1853 C CD . ARG A 234 ? 0.5308 0.3623 0.5870 -0.0066 0.1421 0.0482 296 ARG A CD 1854 N NE . ARG A 234 ? 0.5784 0.4464 0.7499 -0.0281 0.1699 0.0201 296 ARG A NE 1855 C CZ . ARG A 234 ? 0.5908 0.4220 1.0031 -0.0172 0.0952 0.0920 296 ARG A CZ 1856 N NH1 . ARG A 234 ? 0.7571 0.4871 1.0379 0.0720 0.0264 0.1107 296 ARG A NH1 1857 N NH2 . ARG A 234 ? 0.7959 0.6242 0.8757 -0.0610 0.1618 0.1956 296 ARG A NH2 1858 N N . ILE A 235 ? 0.4526 0.2574 0.4329 0.0295 0.1015 0.0450 297 ILE A N 1859 C CA . ILE A 235 ? 0.4904 0.2698 0.4193 0.0313 0.0383 0.0422 297 ILE A CA 1860 C C . ILE A 235 ? 0.4391 0.2886 0.4378 0.0670 0.0564 0.0927 297 ILE A C 1861 O O . ILE A 235 ? 0.4156 0.2739 0.4548 0.0418 0.0755 0.0573 297 ILE A O 1862 C CB . ILE A 235 ? 0.4473 0.2786 0.4435 -0.0022 0.0697 0.0773 297 ILE A CB 1863 C CG1 . ILE A 235 ? 0.4337 0.2400 0.4507 0.0021 0.0349 0.0908 297 ILE A CG1 1864 C CG2 . ILE A 235 ? 0.4679 0.2619 0.4676 0.0159 0.0176 0.0823 297 ILE A CG2 1865 C CD1 . ILE A 235 ? 0.4502 0.2352 0.3984 0.0441 0.0797 0.0696 297 ILE A CD1 1866 N N . TRP A 236 ? 0.3960 0.2933 0.4073 0.0509 0.0937 0.0776 298 TRP A N 1867 C CA . TRP A 236 ? 0.4846 0.2608 0.4083 0.0290 0.0810 0.1178 298 TRP A CA 1868 C C . TRP A 236 ? 0.4889 0.3052 0.3795 0.0863 0.0573 0.0666 298 TRP A C 1869 O O . TRP A 236 ? 0.4959 0.3271 0.3949 0.0481 0.0427 0.0321 298 TRP A O 1870 C CB . TRP A 236 ? 0.4499 0.3324 0.3656 0.0784 0.1137 0.0457 298 TRP A CB 1871 C CG . TRP A 236 ? 0.4985 0.3519 0.3929 0.0911 0.0864 0.0780 298 TRP A CG 1872 C CD1 . TRP A 236 ? 0.4926 0.2470 0.4151 0.0134 0.0438 0.1147 298 TRP A CD1 1873 C CD2 . TRP A 236 ? 0.4832 0.2926 0.4212 0.0327 0.0597 0.0970 298 TRP A CD2 1874 N NE1 . TRP A 236 ? 0.5019 0.2377 0.4155 0.0343 0.0991 0.0258 298 TRP A NE1 1875 C CE2 . TRP A 236 ? 0.4890 0.2064 0.4120 0.0320 0.0773 0.0591 298 TRP A CE2 1876 C CE3 . TRP A 236 ? 0.4711 0.3108 0.4318 0.0391 0.0773 0.1160 298 TRP A CE3 1877 C CZ2 . TRP A 236 ? 0.5074 0.3123 0.3951 -0.0168 0.0506 0.0436 298 TRP A CZ2 1878 C CZ3 . TRP A 236 ? 0.5103 0.2931 0.4019 0.0547 0.1080 0.0243 298 TRP A CZ3 1879 C CH2 . TRP A 236 ? 0.4967 0.2767 0.4372 -0.0045 0.1041 0.1133 298 TRP A CH2 1880 N N . ALA A 237 ? 0.5074 0.3111 0.4284 0.0895 0.0629 0.1493 299 ALA A N 1881 C CA . ALA A 237 ? 0.5398 0.3305 0.4037 0.1318 0.0290 0.1346 299 ALA A CA 1882 C C . ALA A 237 ? 0.5489 0.2947 0.4264 0.1821 0.0534 0.1188 299 ALA A C 1883 O O . ALA A 237 ? 0.5324 0.3761 0.3115 0.0963 0.0385 0.0568 299 ALA A O 1884 C CB . ALA A 237 ? 0.5214 0.3351 0.3547 0.1199 -0.0045 0.1074 299 ALA A CB 1885 N N . ARG A 238 ? 0.5722 0.3933 0.4207 0.1489 0.0220 0.1126 300 ARG A N 1886 C CA . ARG A 238 ? 0.6385 0.4939 0.4124 0.1627 0.0793 0.0719 300 ARG A CA 1887 C C . ARG A 238 ? 0.6647 0.5051 0.4347 0.1361 0.0585 0.0757 300 ARG A C 1888 O O . ARG A 238 ? 0.5898 0.4313 0.4120 0.0864 0.1277 0.1527 300 ARG A O 1889 C CB . ARG A 238 ? 0.7372 0.5144 0.3993 0.1268 0.0301 0.0904 300 ARG A CB 1890 C CG . ARG A 238 ? 0.7833 0.5288 0.3826 0.1391 -0.0438 0.1373 300 ARG A CG 1891 C CD . ARG A 238 ? 0.6971 0.5369 0.3985 0.1366 0.0271 0.0892 300 ARG A CD 1892 N NE . ARG A 238 ? 0.6999 0.5586 0.4671 0.1489 0.0301 0.1404 300 ARG A NE 1893 C CZ . ARG A 238 ? 0.7203 0.5311 0.5060 0.1337 0.0616 0.1104 300 ARG A CZ 1894 N NH1 . ARG A 238 ? 0.7872 0.6531 0.4943 0.2107 -0.0144 0.2596 300 ARG A NH1 1895 N NH2 . ARG A 238 ? 0.7325 0.5446 0.7647 0.2230 0.0890 0.0241 300 ARG A NH2 1896 N N . PRO A 239 ? 0.6971 0.5366 0.4595 0.2702 0.1014 0.1258 301 PRO A N 1897 C CA . PRO A 239 ? 0.7440 0.5882 0.4275 0.2011 0.1191 0.1971 301 PRO A CA 1898 C C . PRO A 239 ? 0.7288 0.5237 0.4602 0.1891 0.2925 0.2711 301 PRO A C 1899 O O . PRO A 239 ? 0.7374 0.5935 0.5568 0.2516 0.1502 0.1571 301 PRO A O 1900 C CB . PRO A 239 ? 0.6498 0.6273 0.5113 0.2625 0.1574 0.2185 301 PRO A CB 1901 C CG . PRO A 239 ? 0.7999 0.5154 0.5439 0.1594 0.2008 0.1585 301 PRO A CG 1902 C CD . PRO A 239 ? 0.7405 0.4554 0.3261 0.2996 0.1070 0.2353 301 PRO A CD 1903 N N . ASN A 240 ? 0.9082 0.6719 0.4478 0.2854 0.1653 0.2743 302 ASN A N 1904 C CA . ASN A 240 ? 0.9250 0.7280 0.4467 0.3234 0.1758 0.2341 302 ASN A CA 1905 C C . ASN A 240 ? 0.7334 0.5828 0.4833 0.3363 0.1275 0.2131 302 ASN A C 1906 O O . ASN A 240 ? 0.7243 0.4981 0.6519 0.2565 0.1831 0.2267 302 ASN A O 1907 C CB . ASN A 240 ? 0.9200 0.5419 0.5777 0.2678 0.1693 0.2645 302 ASN A CB 1908 C CG . ASN A 240 ? 1.1204 0.6722 0.5618 0.1419 0.1659 0.1116 302 ASN A CG 1909 O OD1 . ASN A 240 ? 1.1014 0.7804 0.5495 0.2221 0.2244 0.3198 302 ASN A OD1 1910 N ND2 . ASN A 240 ? 1.2212 0.7863 0.4359 0.1045 0.0313 0.2052 302 ASN A ND2 1911 N N . ALA A 241 ? 0.7226 0.4666 0.5045 0.1542 0.1086 0.1538 303 ALA A N 1912 C CA . ALA A 241 ? 0.7168 0.4976 0.4988 0.1631 0.0504 0.1355 303 ALA A CA 1913 C C . ALA A 241 ? 0.7096 0.4149 0.5000 0.1734 0.0331 0.1752 303 ALA A C 1914 O O . ALA A 241 ? 0.5826 0.5293 0.4415 0.1542 0.0859 0.1771 303 ALA A O 1915 C CB . ALA A 241 ? 0.6279 0.5183 0.3823 0.1338 0.0508 0.1363 303 ALA A CB 1916 N N . ILE A 242 ? 0.6871 0.4245 0.4675 0.1426 0.1700 0.2517 304 ILE A N 1917 C CA . ILE A 242 ? 0.6433 0.4959 0.5411 0.1812 0.1537 0.2101 304 ILE A CA 1918 C C . ILE A 242 ? 0.5757 0.4493 0.6430 0.1247 0.1636 0.1835 304 ILE A C 1919 O O . ILE A 242 ? 0.6925 0.4342 0.6198 0.1435 0.1074 0.1930 304 ILE A O 1920 C CB . ILE A 242 ? 0.6675 0.4195 0.6099 0.1721 0.1582 0.1661 304 ILE A CB 1921 C CG1 . ILE A 242 ? 0.5767 0.4750 0.5245 0.1415 0.0839 0.1848 304 ILE A CG1 1922 C CG2 . ILE A 242 ? 0.7496 0.3795 0.6945 0.1251 0.1225 0.1690 304 ILE A CG2 1923 C CD1 . ILE A 242 ? 0.7270 0.3544 0.4878 0.0421 0.0694 0.1982 304 ILE A CD1 1924 N N . ALA A 243 ? 0.6230 0.4197 0.6633 0.2113 0.2770 0.2884 305 ALA A N 1925 C CA . ALA A 243 ? 0.7882 0.4286 0.7117 0.1613 0.1460 0.3131 305 ALA A CA 1926 C C . ALA A 243 ? 0.8447 0.5899 0.6598 0.1985 0.1620 0.1966 305 ALA A C 1927 O O . ALA A 243 ? 0.7742 0.5458 0.6421 0.1762 0.1667 0.3008 305 ALA A O 1928 C CB . ALA A 243 ? 0.7699 0.5479 0.7303 0.1407 0.1440 0.2484 305 ALA A CB 1929 N N . GLU A 244 ? 0.8723 0.4793 0.5846 0.1958 0.0376 0.1636 306 GLU A N 1930 C CA . GLU A 244 ? 0.8890 0.4288 0.5489 0.1829 0.1995 0.3123 306 GLU A CA 1931 C C . GLU A 244 ? 0.8146 0.4321 0.6331 0.2322 0.0749 0.1400 306 GLU A C 1932 O O . GLU A 244 ? 0.7438 0.5010 0.5469 0.2531 0.0030 0.1915 306 GLU A O 1933 C CB . GLU A 244 ? 0.8072 0.5061 0.7271 0.2933 0.1878 0.1620 306 GLU A CB 1934 C CG . GLU A 244 ? 0.8837 0.6254 0.7189 0.2279 0.1073 0.1619 306 GLU A CG 1935 C CD . GLU A 244 ? 0.9405 0.7425 0.7079 0.2611 0.0073 0.1921 306 GLU A CD 1936 O OE1 . GLU A 244 ? 1.0589 1.2137 0.7394 0.0269 0.0546 0.0545 306 GLU A OE1 1937 O OE2 . GLU A 244 ? 0.7765 1.1177 1.0200 0.1914 -0.0637 0.0193 306 GLU A OE2 1938 N N . GLY A 245 ? 0.6574 0.4779 0.5718 0.1570 0.1731 0.2704 307 GLY A N 1939 C CA . GLY A 245 ? 0.6795 0.4695 0.6278 0.0489 0.1135 0.1762 307 GLY A CA 1940 C C . GLY A 245 ? 0.6327 0.3812 0.6105 0.0748 0.1020 0.1546 307 GLY A C 1941 O O . GLY A 245 ? 0.5718 0.3022 0.6478 0.1321 0.1213 0.0830 307 GLY A O 1942 N N . HIS A 246 ? 0.5688 0.4002 0.5356 0.1366 0.0342 0.1190 308 HIS A N 1943 C CA . HIS A 246 ? 0.5620 0.3938 0.5684 0.1211 0.0419 0.1135 308 HIS A CA 1944 C C . HIS A 246 ? 0.5845 0.3801 0.4980 0.1139 0.0552 0.0552 308 HIS A C 1945 O O . HIS A 246 ? 0.5665 0.3347 0.5200 0.1142 0.0542 0.0751 308 HIS A O 1946 C CB . HIS A 246 ? 0.5717 0.4412 0.4968 0.0626 0.0751 0.1566 308 HIS A CB 1947 C CG . HIS A 246 ? 0.5928 0.4466 0.5743 0.1070 0.0319 0.1098 308 HIS A CG 1948 N ND1 . HIS A 246 ? 0.6090 0.5199 0.5668 0.1487 0.0263 0.1290 308 HIS A ND1 1949 C CD2 . HIS A 246 ? 0.6690 0.4905 0.6267 0.1594 -0.0350 0.1190 308 HIS A CD2 1950 C CE1 . HIS A 246 ? 0.6036 0.4421 0.6283 0.1310 0.0180 0.1254 308 HIS A CE1 1951 N NE2 . HIS A 246 ? 0.6271 0.4804 0.6217 0.1763 -0.0083 0.1365 308 HIS A NE2 1952 N N . GLY A 247 ? 0.5733 0.2823 0.5181 0.0862 0.0619 0.1093 309 GLY A N 1953 C CA . GLY A 247 ? 0.4791 0.2904 0.5335 0.0803 0.0345 0.0699 309 GLY A CA 1954 C C . GLY A 247 ? 0.4597 0.3610 0.5172 0.0670 0.0638 0.0865 309 GLY A C 1955 O O . GLY A 247 ? 0.5054 0.2787 0.5003 0.0486 0.0810 0.0718 309 GLY A O 1956 N N . MET A 248 ? 0.4835 0.3510 0.4952 0.0648 0.0957 0.0870 310 MET A N 1957 C CA . MET A 248 ? 0.5198 0.3113 0.5699 0.0581 0.0644 0.1086 310 MET A CA 1958 C C . MET A 248 ? 0.5099 0.3103 0.5446 0.0939 0.0949 0.0876 310 MET A C 1959 O O . MET A 248 ? 0.4678 0.3230 0.5974 0.0290 0.0697 0.0532 310 MET A O 1960 C CB . MET A 248 ? 0.6052 0.3396 0.6068 0.0593 -0.0226 0.1636 310 MET A CB 1961 C CG . MET A 248 ? 0.7037 0.4094 0.7771 0.0331 0.0150 0.1397 310 MET A CG 1962 S SD . MET A 248 ? 0.7427 0.5520 0.9623 -0.0122 0.1115 0.0783 310 MET A SD 1963 C CE . MET A 248 ? 0.8404 0.5207 0.9210 0.0481 -0.1664 0.1614 310 MET A CE 1964 N N . TYR A 249 ? 0.5401 0.2546 0.5362 0.0229 0.0326 0.0163 311 TYR A N 1965 C CA . TYR A 249 ? 0.5277 0.3405 0.5315 0.0429 0.0423 0.0075 311 TYR A CA 1966 C C . TYR A 249 ? 0.4656 0.3285 0.5248 0.0209 0.0817 0.0090 311 TYR A C 1967 O O . TYR A 249 ? 0.4853 0.2497 0.5355 0.0228 0.0447 0.0414 311 TYR A O 1968 C CB . TYR A 249 ? 0.5023 0.3610 0.5822 0.0831 0.0764 0.0077 311 TYR A CB 1969 C CG . TYR A 249 ? 0.5017 0.3201 0.5484 0.0916 0.0570 0.0412 311 TYR A CG 1970 C CD1 . TYR A 249 ? 0.5103 0.3470 0.5699 0.1143 0.0383 0.0172 311 TYR A CD1 1971 C CD2 . TYR A 249 ? 0.4684 0.3202 0.6069 0.0883 0.0820 0.0212 311 TYR A CD2 1972 C CE1 . TYR A 249 ? 0.4872 0.3652 0.5482 0.0883 0.0174 0.0460 311 TYR A CE1 1973 C CE2 . TYR A 249 ? 0.5046 0.3979 0.5457 0.0768 0.0416 -0.0273 311 TYR A CE2 1974 C CZ . TYR A 249 ? 0.4217 0.3824 0.5765 0.0820 0.0659 -0.0205 311 TYR A CZ 1975 O OH . TYR A 249 ? 0.4798 0.3937 0.4625 0.1222 0.0458 0.0210 311 TYR A OH 1976 N N . ALA A 250 ? 0.4146 0.3021 0.5081 0.0169 0.0813 0.0317 312 ALA A N 1977 C CA . ALA A 250 ? 0.4426 0.3235 0.4472 0.0103 0.0705 0.0227 312 ALA A CA 1978 C C . ALA A 250 ? 0.4299 0.2688 0.4877 0.0622 0.0586 -0.0036 312 ALA A C 1979 O O . ALA A 250 ? 0.4244 0.2763 0.5032 0.0164 0.0713 0.0117 312 ALA A O 1980 C CB . ALA A 250 ? 0.4555 0.2598 0.4394 0.0425 0.1065 0.0670 312 ALA A CB 1981 N N . LEU A 251 ? 0.5100 0.2798 0.4799 0.0257 0.0395 0.0027 313 LEU A N 1982 C CA . LEU A 251 ? 0.5429 0.2903 0.5327 -0.0450 0.0483 0.0378 313 LEU A CA 1983 C C . LEU A 251 ? 0.4715 0.3195 0.5338 -0.0073 0.0816 0.0325 313 LEU A C 1984 O O . LEU A 251 ? 0.5059 0.3887 0.4844 0.0133 0.1066 0.1190 313 LEU A O 1985 C CB . LEU A 251 ? 0.5092 0.3510 0.4923 -0.0318 0.0566 0.0178 313 LEU A CB 1986 C CG . LEU A 251 ? 0.5288 0.2701 0.5644 -0.0330 0.0432 0.0450 313 LEU A CG 1987 C CD1 . LEU A 251 ? 0.5187 0.3145 0.5244 -0.0235 0.0541 0.0919 313 LEU A CD1 1988 C CD2 . LEU A 251 ? 0.4828 0.3524 0.4967 -0.0222 0.0677 0.0303 313 LEU A CD2 1989 N N . ASN A 252 ? 0.4757 0.2687 0.5351 -0.0132 0.0538 0.0528 314 ASN A N 1990 C CA . ASN A 252 ? 0.5704 0.2893 0.5622 0.0053 0.0468 0.0244 314 ASN A CA 1991 C C . ASN A 252 ? 0.5392 0.3176 0.5757 0.0110 0.0660 0.0255 314 ASN A C 1992 O O . ASN A 252 ? 0.5231 0.2788 0.6007 -0.0011 0.0694 -0.0056 314 ASN A O 1993 C CB . ASN A 252 ? 0.5912 0.2413 0.5917 0.0301 -0.0015 -0.0504 314 ASN A CB 1994 C CG . ASN A 252 ? 0.6055 0.3005 0.6606 0.0194 0.0693 -0.0086 314 ASN A CG 1995 O OD1 . ASN A 252 ? 0.5865 0.2802 0.6763 -0.0972 0.0219 -0.0174 314 ASN A OD1 1996 N ND2 . ASN A 252 ? 0.6009 0.2416 0.7451 0.0023 0.0496 0.0198 314 ASN A ND2 1997 N N . VAL A 253 ? 0.4762 0.2448 0.5430 0.0733 0.0391 -0.0379 315 VAL A N 1998 C CA . VAL A 253 ? 0.5151 0.3468 0.5306 0.0311 0.0204 -0.0062 315 VAL A CA 1999 C C . VAL A 253 ? 0.4887 0.3076 0.5301 0.0379 0.0609 -0.0233 315 VAL A C 2000 O O . VAL A 253 ? 0.4540 0.2757 0.4793 0.0611 0.0742 -0.0832 315 VAL A O 2001 C CB . VAL A 253 ? 0.5341 0.2561 0.5152 0.0348 0.0180 -0.0158 315 VAL A CB 2002 C CG1 . VAL A 253 ? 0.4436 0.3287 0.5479 0.0585 0.0424 -0.0429 315 VAL A CG1 2003 C CG2 . VAL A 253 ? 0.4501 0.2434 0.4576 -0.0042 0.0477 0.0105 315 VAL A CG2 2004 N N . THR A 254 ? 0.4506 0.2686 0.4225 -0.0003 0.0531 -0.0169 316 THR A N 2005 C CA . THR A 254 ? 0.4668 0.2784 0.4477 0.0078 0.0570 -0.0295 316 THR A CA 2006 C C . THR A 254 ? 0.4501 0.2498 0.4716 0.0027 0.0939 -0.0564 316 THR A C 2007 O O . THR A 254 ? 0.4404 0.2718 0.4444 0.0275 0.0176 -0.0608 316 THR A O 2008 C CB . THR A 254 ? 0.4383 0.2655 0.4232 0.0299 0.0564 -0.0044 316 THR A CB 2009 O OG1 . THR A 254 ? 0.4379 0.2352 0.4789 0.0182 0.0564 -0.0002 316 THR A OG1 2010 C CG2 . THR A 254 ? 0.4287 0.2816 0.3601 0.0514 0.0948 -0.0321 316 THR A CG2 2011 N N . GLY A 255 ? 0.5102 0.2668 0.4765 -0.0337 0.1094 -0.0764 317 GLY A N 2012 C CA . GLY A 255 ? 0.4861 0.3234 0.5226 -0.0369 0.0655 -0.0337 317 GLY A CA 2013 C C . GLY A 255 ? 0.4630 0.2370 0.5204 -0.0780 0.0512 -0.0651 317 GLY A C 2014 O O . GLY A 255 ? 0.4507 0.3206 0.4855 -0.0159 0.0541 -0.0710 317 GLY A O 2015 N N . PRO A 256 ? 0.5202 0.2371 0.5551 -0.0029 0.0536 -0.0801 318 PRO A N 2016 C CA . PRO A 256 ? 0.5194 0.2787 0.5232 -0.0169 0.0429 -0.0440 318 PRO A CA 2017 C C . PRO A 256 ? 0.4536 0.2760 0.5253 -0.0028 0.0438 -0.0585 318 PRO A C 2018 O O . PRO A 256 ? 0.4817 0.3232 0.4969 -0.0062 0.0738 -0.0307 318 PRO A O 2019 C CB . PRO A 256 ? 0.4945 0.2605 0.5661 -0.0154 0.1008 -0.0611 318 PRO A CB 2020 C CG . PRO A 256 ? 0.5780 0.2839 0.5527 -0.0120 0.0871 -0.0366 318 PRO A CG 2021 C CD . PRO A 256 ? 0.5725 0.3301 0.5635 0.0094 0.1009 -0.0232 318 PRO A CD 2022 N N . ILE A 257 ? 0.4699 0.2966 0.4782 -0.0030 0.0268 -0.0412 319 ILE A N 2023 C CA . ILE A 257 ? 0.4076 0.2721 0.4855 0.0000 0.0765 -0.0928 319 ILE A CA 2024 C C . ILE A 257 ? 0.4721 0.2459 0.4591 -0.0083 0.0722 -0.0875 319 ILE A C 2025 O O . ILE A 257 ? 0.3922 0.2578 0.4229 -0.0056 0.0953 -0.1085 319 ILE A O 2026 C CB . ILE A 257 ? 0.4317 0.2966 0.4257 -0.0209 0.0678 -0.0374 319 ILE A CB 2027 C CG1 . ILE A 257 ? 0.4097 0.3030 0.4448 -0.0305 0.0798 -0.0502 319 ILE A CG1 2028 C CG2 . ILE A 257 ? 0.3827 0.2704 0.4096 0.0097 0.0756 -0.0573 319 ILE A CG2 2029 C CD1 . ILE A 257 ? 0.4731 0.4110 0.4530 -0.0112 0.0347 -0.0196 319 ILE A CD1 2030 N N . LEU A 258 ? 0.4296 0.2974 0.4661 -0.0584 0.0473 -0.0436 320 LEU A N 2031 C CA . LEU A 258 ? 0.3926 0.2807 0.4561 -0.0530 0.0697 -0.0740 320 LEU A CA 2032 C C . LEU A 258 ? 0.4024 0.2993 0.4405 -0.0446 0.0696 -0.0563 320 LEU A C 2033 O O . LEU A 258 ? 0.4385 0.3182 0.4469 -0.0221 0.0302 -0.1023 320 LEU A O 2034 C CB . LEU A 258 ? 0.4376 0.2715 0.4024 0.0050 0.0596 -0.0409 320 LEU A CB 2035 C CG . LEU A 258 ? 0.4508 0.2703 0.4426 -0.0273 0.0754 -0.0447 320 LEU A CG 2036 C CD1 . LEU A 258 ? 0.4589 0.2947 0.4309 -0.0392 0.0641 -0.0478 320 LEU A CD1 2037 C CD2 . LEU A 258 ? 0.4588 0.2715 0.4088 -0.0427 0.0646 -0.0494 320 LEU A CD2 2038 N N . ASN A 259 ? 0.4761 0.2912 0.4700 -0.0530 0.0790 -0.0894 321 ASN A N 2039 C CA . ASN A 259 ? 0.5310 0.3094 0.4720 -0.0498 0.0354 -0.0722 321 ASN A CA 2040 C C . ASN A 259 ? 0.4981 0.2644 0.4819 -0.0320 0.0629 -0.1042 321 ASN A C 2041 O O . ASN A 259 ? 0.4965 0.3249 0.5029 -0.0681 0.0417 -0.1169 321 ASN A O 2042 C CB . ASN A 259 ? 0.5515 0.3258 0.5750 -0.0566 0.0311 -0.0530 321 ASN A CB 2043 C CG . ASN A 259 ? 0.6049 0.3643 0.7620 -0.0122 0.1082 -0.0196 321 ASN A CG 2044 O OD1 . ASN A 259 ? 0.5856 0.4692 0.6863 -0.0052 0.0827 -0.0684 321 ASN A OD1 2045 N ND2 . ASN A 259 ? 0.6944 0.4944 0.6552 -0.0175 0.0826 0.0858 321 ASN A ND2 2046 N N . PHE A 260 ? 0.4928 0.2821 0.4882 -0.0126 0.0256 -0.0610 322 PHE A N 2047 C CA . PHE A 260 ? 0.4731 0.3302 0.5025 -0.0096 0.0561 -0.0861 322 PHE A CA 2048 C C . PHE A 260 ? 0.4589 0.3271 0.4387 -0.0129 0.0209 -0.1238 322 PHE A C 2049 O O . PHE A 260 ? 0.4809 0.3189 0.4387 0.0082 0.0780 -0.1268 322 PHE A O 2050 C CB . PHE A 260 ? 0.4947 0.3218 0.4554 0.0393 0.0645 -0.1186 322 PHE A CB 2051 C CG . PHE A 260 ? 0.4424 0.3501 0.4620 -0.0162 0.0084 -0.1357 322 PHE A CG 2052 C CD1 . PHE A 260 ? 0.4751 0.4195 0.4970 0.0542 0.0948 -0.1028 322 PHE A CD1 2053 C CD2 . PHE A 260 ? 0.4524 0.3253 0.4628 0.0344 0.0372 -0.0973 322 PHE A CD2 2054 C CE1 . PHE A 260 ? 0.5358 0.3909 0.4384 0.0192 0.0200 -0.0616 322 PHE A CE1 2055 C CE2 . PHE A 260 ? 0.5123 0.3967 0.4374 0.0403 0.0535 -0.0793 322 PHE A CE2 2056 C CZ . PHE A 260 ? 0.5627 0.4117 0.4609 -0.0221 0.1023 -0.1129 322 PHE A CZ 2057 N N . PHE A 261 ? 0.4232 0.3110 0.4176 -0.0172 0.0676 -0.0999 323 PHE A N 2058 C CA . PHE A 261 ? 0.4028 0.3262 0.3956 -0.0246 0.0491 -0.1091 323 PHE A CA 2059 C C . PHE A 261 ? 0.4591 0.3472 0.3702 -0.0495 0.0305 -0.1195 323 PHE A C 2060 O O . PHE A 261 ? 0.4748 0.3269 0.3603 -0.0424 0.0580 -0.0971 323 PHE A O 2061 C CB . PHE A 261 ? 0.3981 0.2344 0.3776 -0.0693 0.0500 -0.0643 323 PHE A CB 2062 C CG . PHE A 261 ? 0.4000 0.2856 0.3870 -0.0131 0.0401 -0.0888 323 PHE A CG 2063 C CD1 . PHE A 261 ? 0.4114 0.3118 0.3849 -0.0512 0.0648 -0.1454 323 PHE A CD1 2064 C CD2 . PHE A 261 ? 0.4017 0.2977 0.3934 -0.0153 0.0525 -0.0680 323 PHE A CD2 2065 C CE1 . PHE A 261 ? 0.4111 0.3381 0.3700 -0.0365 0.0534 -0.0768 323 PHE A CE1 2066 C CE2 . PHE A 261 ? 0.4161 0.2972 0.4050 -0.0311 0.0349 -0.1204 323 PHE A CE2 2067 C CZ . PHE A 261 ? 0.4069 0.3310 0.3823 -0.0215 0.0234 -0.0734 323 PHE A CZ 2068 N N . ALA A 262 ? 0.4645 0.3112 0.3902 -0.0688 0.0261 -0.1181 324 ALA A N 2069 C CA . ALA A 262 ? 0.4932 0.3011 0.3962 -0.0819 0.0290 -0.1009 324 ALA A CA 2070 C C . ALA A 262 ? 0.4279 0.3426 0.4119 -0.0650 0.0581 -0.1057 324 ALA A C 2071 O O . ALA A 262 ? 0.4981 0.3542 0.3855 -0.0305 0.0603 -0.1360 324 ALA A O 2072 C CB . ALA A 262 ? 0.3897 0.3507 0.3442 -0.0130 -0.0036 -0.0393 324 ALA A CB 2073 N N . ASN A 263 ? 0.4803 0.3435 0.4469 -0.0216 0.0653 -0.1203 325 ASN A N 2074 C CA . ASN A 263 ? 0.5281 0.3823 0.4176 -0.0235 0.0409 -0.1074 325 ASN A CA 2075 C C . ASN A 263 ? 0.5108 0.4300 0.4135 -0.0406 0.0543 -0.1159 325 ASN A C 2076 O O . ASN A 263 ? 0.5533 0.4336 0.3994 0.0047 0.0512 -0.1252 325 ASN A O 2077 C CB . ASN A 263 ? 0.5249 0.3927 0.4733 -0.0173 0.0686 -0.1417 325 ASN A CB 2078 C CG . ASN A 263 ? 0.5568 0.4653 0.5254 -0.0931 0.0509 -0.2162 325 ASN A CG 2079 O OD1 . ASN A 263 ? 0.5750 0.5640 0.6567 0.0007 0.1553 -0.1390 325 ASN A OD1 2080 N ND2 . ASN A 263 ? 0.5782 0.5771 0.4940 -0.0447 0.0254 -0.2695 325 ASN A ND2 2081 N N . HIS A 264 ? 0.4743 0.3883 0.3856 -0.0190 0.0472 -0.1098 326 HIS A N 2082 C CA . HIS A 264 ? 0.4682 0.3719 0.4252 0.0036 0.0625 -0.1374 326 HIS A CA 2083 C C . HIS A 264 ? 0.5019 0.4279 0.3961 0.0376 0.0989 -0.1049 326 HIS A C 2084 O O . HIS A 264 ? 0.4849 0.4399 0.4391 0.0172 0.0809 -0.0746 326 HIS A O 2085 C CB . HIS A 264 ? 0.4459 0.4331 0.3546 -0.0218 0.1017 -0.0927 326 HIS A CB 2086 C CG . HIS A 264 ? 0.4830 0.4055 0.4451 -0.0461 0.1075 -0.1434 326 HIS A CG 2087 N ND1 . HIS A 264 ? 0.4661 0.3842 0.4338 0.0000 0.0918 -0.1363 326 HIS A ND1 2088 C CD2 . HIS A 264 ? 0.4642 0.3979 0.2590 0.0002 0.0738 -0.1475 326 HIS A CD2 2089 C CE1 . HIS A 264 ? 0.5086 0.4046 0.4200 -0.0190 0.0720 -0.1342 326 HIS A CE1 2090 N NE2 . HIS A 264 ? 0.4653 0.3990 0.3722 -0.0287 0.0728 -0.0940 326 HIS A NE2 2091 N N . TYR A 265 ? 0.4378 0.3900 0.3260 -0.0160 0.0602 -0.1202 327 TYR A N 2092 C CA . TYR A 265 ? 0.4190 0.3895 0.3068 -0.0455 0.0504 -0.0840 327 TYR A CA 2093 C C . TYR A 265 ? 0.4048 0.3969 0.3703 -0.0270 0.0641 -0.1211 327 TYR A C 2094 O O . TYR A 265 ? 0.4252 0.4357 0.3307 -0.0686 0.0549 -0.0510 327 TYR A O 2095 C CB . TYR A 265 ? 0.4026 0.2995 0.3413 -0.0415 0.0203 -0.0999 327 TYR A CB 2096 C CG . TYR A 265 ? 0.3898 0.2820 0.3215 -0.0068 0.0255 -0.0943 327 TYR A CG 2097 C CD1 . TYR A 265 ? 0.3784 0.3385 0.3121 -0.0052 0.0510 -0.0777 327 TYR A CD1 2098 C CD2 . TYR A 265 ? 0.3868 0.3024 0.3043 -0.0152 0.0630 -0.1232 327 TYR A CD2 2099 C CE1 . TYR A 265 ? 0.4361 0.3574 0.3107 -0.0242 0.0307 -0.0738 327 TYR A CE1 2100 C CE2 . TYR A 265 ? 0.3763 0.3393 0.3112 -0.0214 0.0533 -0.0707 327 TYR A CE2 2101 C CZ . TYR A 265 ? 0.3757 0.3622 0.3118 -0.0349 0.0450 -0.0636 327 TYR A CZ 2102 O OH . TYR A 265 ? 0.3607 0.3861 0.3189 -0.0385 0.0778 -0.0927 327 TYR A OH 2103 N N . ASN A 266 ? 0.4256 0.3906 0.4085 -0.0263 0.0140 -0.0972 328 ASN A N 2104 C CA . ASN A 266 ? 0.4978 0.3751 0.3374 -0.0762 0.0523 -0.1452 328 ASN A CA 2105 C C . ASN A 266 ? 0.4975 0.4363 0.3690 -0.0171 0.0106 -0.1100 328 ASN A C 2106 O O . ASN A 266 ? 0.3745 0.4269 0.3838 -0.1006 0.0077 -0.1525 328 ASN A O 2107 C CB . ASN A 266 ? 0.4979 0.4817 0.3698 0.0010 0.0558 -0.0943 328 ASN A CB 2108 C CG . ASN A 266 ? 0.6039 0.3968 0.4742 -0.0494 0.0036 -0.1412 328 ASN A CG 2109 O OD1 . ASN A 266 ? 0.6102 0.6794 0.3945 0.0114 0.0049 -0.0467 328 ASN A OD1 2110 N ND2 . ASN A 266 ? 0.5259 0.4740 0.3778 -0.1433 -0.0787 -0.2093 328 ASN A ND2 2111 N N . THR A 267 ? 0.4067 0.3803 0.3598 -0.0489 0.0569 -0.1382 329 THR A N 2112 C CA . THR A 267 ? 0.4405 0.3896 0.3530 -0.0502 0.0404 -0.1468 329 THR A CA 2113 C C . THR A 267 ? 0.4300 0.3876 0.3830 -0.0682 0.0438 -0.1189 329 THR A C 2114 O O . THR A 267 ? 0.4389 0.4389 0.3488 -0.0531 0.0473 -0.1368 329 THR A O 2115 C CB . THR A 267 ? 0.4542 0.3780 0.3407 -0.0487 0.0419 -0.1093 329 THR A CB 2116 O OG1 . THR A 267 ? 0.4842 0.3610 0.3762 -0.0410 0.0334 -0.0944 329 THR A OG1 2117 C CG2 . THR A 267 ? 0.4638 0.4017 0.3530 -0.0137 -0.0205 -0.0698 329 THR A CG2 2118 N N . SER A 268 ? 0.4182 0.3903 0.3788 -0.0647 0.0042 -0.1291 330 SER A N 2119 C CA . SER A 268 ? 0.4482 0.3877 0.3997 -0.1072 0.0421 -0.1205 330 SER A CA 2120 C C . SER A 268 ? 0.4142 0.3577 0.4165 -0.0930 -0.0056 -0.1051 330 SER A C 2121 O O . SER A 268 ? 0.4296 0.3504 0.3884 -0.0743 0.0619 -0.0789 330 SER A O 2122 C CB . SER A 268 ? 0.4681 0.4265 0.4400 -0.1161 -0.0337 -0.1145 330 SER A CB 2123 O OG . SER A 268 ? 0.5044 0.4691 0.4585 -0.1515 0.0285 -0.1183 330 SER A OG 2124 N N . TYR A 269 ? 0.4261 0.3403 0.3736 -0.0625 0.0614 -0.1124 331 TYR A N 2125 C CA . TYR A 269 ? 0.3943 0.3660 0.3641 -0.0388 -0.0174 -0.0825 331 TYR A CA 2126 C C . TYR A 269 ? 0.4109 0.3160 0.3655 -0.0849 0.0839 -0.0763 331 TYR A C 2127 O O . TYR A 269 ? 0.3914 0.2956 0.3902 -0.0475 0.0185 -0.1004 331 TYR A O 2128 C CB . TYR A 269 ? 0.4383 0.3675 0.3938 -0.0220 0.0757 -0.0636 331 TYR A CB 2129 C CG . TYR A 269 ? 0.4003 0.3136 0.3918 -0.0598 0.0278 -0.0535 331 TYR A CG 2130 C CD1 . TYR A 269 ? 0.3956 0.3435 0.3941 -0.0524 -0.0183 -0.0587 331 TYR A CD1 2131 C CD2 . TYR A 269 ? 0.4028 0.2591 0.3352 -0.0711 0.0154 -0.0255 331 TYR A CD2 2132 C CE1 . TYR A 269 ? 0.4209 0.3710 0.3808 -0.0195 0.0699 -0.0679 331 TYR A CE1 2133 C CE2 . TYR A 269 ? 0.3956 0.2601 0.3808 -0.0518 -0.0005 -0.0527 331 TYR A CE2 2134 C CZ . TYR A 269 ? 0.4050 0.2732 0.3770 -0.0753 0.0422 -0.0675 331 TYR A CZ 2135 O OH . TYR A 269 ? 0.3543 0.2961 0.3686 -0.0599 0.0278 -0.0694 331 TYR A OH 2136 N N . PRO A 270 ? 0.3879 0.3240 0.3493 -0.0568 0.0467 -0.0750 332 PRO A N 2137 C CA . PRO A 270 ? 0.3856 0.3323 0.3266 -0.0525 0.0443 -0.0574 332 PRO A CA 2138 C C . PRO A 270 ? 0.3955 0.3462 0.3413 -0.0157 0.0512 -0.0292 332 PRO A C 2139 O O . PRO A 270 ? 0.4399 0.3904 0.3381 0.0138 0.1131 0.0283 332 PRO A O 2140 C CB . PRO A 270 ? 0.3809 0.3183 0.2761 -0.0327 0.0259 -0.0243 332 PRO A CB 2141 C CG . PRO A 270 ? 0.3904 0.3499 0.3349 0.0024 0.0368 -0.0592 332 PRO A CG 2142 C CD . PRO A 270 ? 0.4013 0.3043 0.3605 -0.0906 0.0278 -0.0369 332 PRO A CD 2143 N N . LEU A 271 ? 0.3594 0.3006 0.3402 -0.0537 0.0381 -0.0311 333 LEU A N 2144 C CA . LEU A 271 ? 0.3921 0.3000 0.3445 -0.0602 0.0513 -0.0254 333 LEU A CA 2145 C C . LEU A 271 ? 0.3981 0.3056 0.4133 -0.0667 0.0569 -0.0206 333 LEU A C 2146 O O . LEU A 271 ? 0.3876 0.3200 0.3873 -0.1064 0.0197 -0.0784 333 LEU A O 2147 C CB . LEU A 271 ? 0.3671 0.2967 0.3819 -0.0715 0.0560 -0.0384 333 LEU A CB 2148 C CG . LEU A 271 ? 0.3692 0.2825 0.3229 -0.0464 0.0184 -0.0552 333 LEU A CG 2149 C CD1 . LEU A 271 ? 0.4031 0.2804 0.3336 -0.0280 -0.0113 -0.0717 333 LEU A CD1 2150 C CD2 . LEU A 271 ? 0.4028 0.3333 0.3129 -0.0313 0.0304 -0.0291 333 LEU A CD2 2151 N N . PRO A 272 ? 0.4327 0.3227 0.3990 -0.0705 0.0608 -0.0020 334 PRO A N 2152 C CA . PRO A 272 ? 0.4084 0.3608 0.4248 -0.0954 0.0758 -0.0001 334 PRO A CA 2153 C C . PRO A 272 ? 0.4392 0.3334 0.4052 -0.1026 0.0686 -0.0105 334 PRO A C 2154 O O . PRO A 272 ? 0.3926 0.3127 0.4791 -0.0975 0.0163 -0.0355 334 PRO A O 2155 C CB . PRO A 272 ? 0.4031 0.4014 0.4454 -0.0848 0.0471 -0.0236 334 PRO A CB 2156 C CG . PRO A 272 ? 0.4167 0.3531 0.3858 -0.0278 0.0693 0.0097 334 PRO A CG 2157 C CD . PRO A 272 ? 0.3960 0.3412 0.3458 -0.0961 0.0520 -0.0597 334 PRO A CD 2158 N N . LYS A 273 ? 0.4115 0.3033 0.3797 -0.0617 0.0625 -0.0092 335 LYS A N 2159 C CA . LYS A 273 ? 0.4222 0.2991 0.4241 -0.0440 0.0341 -0.0161 335 LYS A CA 2160 C C . LYS A 273 ? 0.4150 0.2779 0.3725 -0.0626 0.0459 -0.0362 335 LYS A C 2161 O O . LYS A 273 ? 0.4091 0.2950 0.3977 -0.0487 0.0672 -0.0168 335 LYS A O 2162 C CB . LYS A 273 ? 0.4149 0.2588 0.4145 -0.0584 0.0321 -0.0025 335 LYS A CB 2163 C CG . LYS A 273 ? 0.3449 0.3045 0.3906 -0.0200 0.0894 -0.0241 335 LYS A CG 2164 C CD . LYS A 273 ? 0.4387 0.2493 0.3377 -0.0794 0.0758 -0.0010 335 LYS A CD 2165 C CE . LYS A 273 ? 0.4276 0.2683 0.3228 -0.0586 0.0989 0.0193 335 LYS A CE 2166 N NZ . LYS A 273 ? 0.3919 0.2896 0.3199 -0.0104 0.0807 -0.0049 335 LYS A NZ 2167 N N . SER A 274 ? 0.4048 0.2445 0.3969 -0.0454 0.0538 -0.0536 336 SER A N 2168 C CA . SER A 274 ? 0.3989 0.2660 0.3831 -0.0378 0.0178 -0.0711 336 SER A CA 2169 C C . SER A 274 ? 0.4308 0.2744 0.3858 -0.0529 0.0425 0.0065 336 SER A C 2170 O O . SER A 274 ? 0.4361 0.2722 0.4599 -0.0241 0.0184 0.0250 336 SER A O 2171 C CB . SER A 274 ? 0.4184 0.3197 0.3931 -0.0131 0.0568 -0.0521 336 SER A CB 2172 O OG . SER A 274 ? 0.4177 0.3063 0.4460 -0.0189 0.0380 -0.0746 336 SER A OG 2173 N N . ASP A 275 ? 0.4166 0.2473 0.3566 -0.0422 0.0590 0.0173 337 ASP A N 2174 C CA . ASP A 275 ? 0.4050 0.2392 0.3799 -0.0360 0.0346 -0.0106 337 ASP A CA 2175 C C . ASP A 275 ? 0.3815 0.2840 0.3760 -0.0080 0.0799 0.0334 337 ASP A C 2176 O O . ASP A 275 ? 0.3847 0.2565 0.3690 0.0071 0.0551 0.0057 337 ASP A O 2177 C CB . ASP A 275 ? 0.4219 0.2693 0.3620 -0.0403 0.0863 0.0163 337 ASP A CB 2178 C CG . ASP A 275 ? 0.4218 0.2664 0.3611 -0.0110 0.0630 0.0543 337 ASP A CG 2179 O OD1 . ASP A 275 ? 0.4287 0.2584 0.3946 -0.0523 0.0542 0.0058 337 ASP A OD1 2180 O OD2 . ASP A 275 ? 0.4245 0.2883 0.3357 -0.0216 0.0672 0.0467 337 ASP A OD2 2181 N N . GLN A 276 ? 0.4090 0.2771 0.3737 0.0082 0.0497 -0.0220 338 GLN A N 2182 C CA . GLN A 276 ? 0.3896 0.2671 0.3404 0.0337 0.0103 0.0523 338 GLN A CA 2183 C C . GLN A 276 ? 0.3692 0.2750 0.3365 0.0479 0.0430 0.0299 338 GLN A C 2184 O O . GLN A 276 ? 0.4150 0.2468 0.3791 0.0042 0.0235 0.0220 338 GLN A O 2185 C CB . GLN A 276 ? 0.3911 0.2989 0.3485 -0.0044 0.0400 0.0248 338 GLN A CB 2186 C CG . GLN A 276 ? 0.4029 0.2466 0.3505 0.0355 0.0237 -0.0052 338 GLN A CG 2187 C CD . GLN A 276 ? 0.4095 0.2940 0.4101 0.0327 0.0429 -0.0479 338 GLN A CD 2188 O OE1 . GLN A 276 ? 0.4527 0.2950 0.4025 0.0059 0.0892 -0.0383 338 GLN A OE1 2189 N NE2 . GLN A 276 ? 0.3696 0.2755 0.3573 0.0139 0.0528 0.0111 338 GLN A NE2 2190 N N . ILE A 277 ? 0.3655 0.2674 0.3278 0.0356 0.0675 0.0407 339 ILE A N 2191 C CA . ILE A 277 ? 0.4263 0.2457 0.3335 0.0346 0.0244 0.0160 339 ILE A CA 2192 C C . ILE A 277 ? 0.4032 0.3053 0.3006 0.0645 0.0654 0.0099 339 ILE A C 2193 O O . ILE A 277 ? 0.4113 0.3420 0.3450 0.0251 0.0313 0.0292 339 ILE A O 2194 C CB . ILE A 277 ? 0.3984 0.2964 0.3255 0.0232 0.0473 0.0240 339 ILE A CB 2195 C CG1 . ILE A 277 ? 0.4384 0.3333 0.3415 0.0510 0.0420 0.0716 339 ILE A CG1 2196 C CG2 . ILE A 277 ? 0.4197 0.3061 0.2988 0.0239 0.0646 0.0393 339 ILE A CG2 2197 C CD1 . ILE A 277 ? 0.4911 0.3119 0.3376 0.0344 0.0813 0.0617 339 ILE A CD1 2198 N N . ALA A 278 ? 0.4271 0.2894 0.3839 0.0604 0.0218 0.0389 340 ALA A N 2199 C CA . ALA A 278 ? 0.4913 0.3372 0.3844 0.0526 -0.0196 0.0238 340 ALA A CA 2200 C C . ALA A 278 ? 0.4938 0.4042 0.3183 0.0577 -0.0025 0.0576 340 ALA A C 2201 O O . ALA A 278 ? 0.4474 0.3630 0.3492 0.0136 0.0188 0.0453 340 ALA A O 2202 C CB . ALA A 278 ? 0.4326 0.3450 0.3545 0.0583 -0.0281 0.0170 340 ALA A CB 2203 N N . LEU A 279 ? 0.5148 0.3665 0.3427 0.0707 0.0142 0.0318 341 LEU A N 2204 C CA . LEU A 279 ? 0.5189 0.3953 0.3526 0.0762 -0.0251 0.0195 341 LEU A CA 2205 C C . LEU A 279 ? 0.5169 0.4793 0.3960 0.0758 -0.0406 0.0088 341 LEU A C 2206 O O . LEU A 279 ? 0.5086 0.4382 0.3496 0.0414 -0.0392 0.0161 341 LEU A O 2207 C CB . LEU A 279 ? 0.4817 0.3930 0.3050 0.0790 0.0322 -0.0030 341 LEU A CB 2208 C CG . LEU A 279 ? 0.4861 0.4025 0.3779 0.0707 0.0436 0.0225 341 LEU A CG 2209 C CD1 . LEU A 279 ? 0.5222 0.3873 0.3324 0.1832 0.0958 -0.0233 341 LEU A CD1 2210 C CD2 . LEU A 279 ? 0.5161 0.4227 0.3063 0.0084 0.0167 -0.0164 341 LEU A CD2 2211 N N . PRO A 280 ? 0.6278 0.5738 0.4209 0.0966 -0.0725 0.0058 342 PRO A N 2212 C CA . PRO A 280 ? 0.6991 0.5349 0.3936 0.0376 -0.1084 -0.0192 342 PRO A CA 2213 C C . PRO A 280 ? 0.5883 0.5100 0.5081 0.1263 -0.0325 -0.0046 342 PRO A C 2214 O O . PRO A 280 ? 0.6819 0.4415 0.4317 0.0898 -0.0128 -0.0818 342 PRO A O 2215 C CB . PRO A 280 ? 0.6702 0.6062 0.4741 0.0878 -0.0174 0.1001 342 PRO A CB 2216 C CG . PRO A 280 ? 0.6539 0.6700 0.4599 0.1503 -0.0939 0.0168 342 PRO A CG 2217 C CD . PRO A 280 ? 0.6356 0.4947 0.4567 0.0922 -0.0499 -0.0438 342 PRO A CD 2218 N N . ASP A 281 ? 0.6074 0.7151 0.7728 -0.0578 -0.0606 -0.0432 343 ASP A N 2219 C CA . ASP A 281 ? 0.8152 0.5611 0.6263 0.0144 -0.1266 -0.0095 343 ASP A CA 2220 C C . ASP A 281 ? 0.6530 0.5988 0.7228 -0.0493 -0.2212 0.0335 343 ASP A C 2221 O O . ASP A 281 ? 0.8965 0.6806 0.8560 -0.1618 -0.0409 -0.0054 343 ASP A O 2222 C CB . ASP A 281 ? 0.8170 0.6507 0.6639 -0.0424 -0.1330 -0.0353 343 ASP A CB 2223 C CG . ASP A 281 ? 0.8497 1.0073 0.6218 0.1403 -0.0399 -0.0130 343 ASP A CG 2224 O OD1 . ASP A 281 ? 0.7844 0.8544 0.9076 0.1455 0.0151 0.0282 343 ASP A OD1 2225 O OD2 . ASP A 281 ? 1.1447 1.0268 0.6553 0.0983 0.1213 -0.0179 343 ASP A OD2 2226 N N . PHE A 282 ? 0.6748 0.5817 0.5088 -0.0683 -0.1349 0.0598 344 PHE A N 2227 C CA . PHE A 282 ? 0.4895 0.5816 0.4007 -0.0567 -0.0824 -0.0029 344 PHE A CA 2228 C C . PHE A 282 ? 0.4770 0.4855 0.4645 0.0100 -0.0151 -0.0472 344 PHE A C 2229 O O . PHE A 282 ? 0.6030 0.6177 0.6007 0.1162 0.0591 -0.0562 344 PHE A O 2230 C CB . PHE A 282 ? 0.4484 0.4156 0.4232 0.0150 -0.0404 -0.0464 344 PHE A CB 2231 C CG . PHE A 282 ? 0.3919 0.4189 0.4103 0.0195 -0.0336 -0.0515 344 PHE A CG 2232 C CD1 . PHE A 282 ? 0.4859 0.5567 0.4540 0.1300 0.0469 0.0279 344 PHE A CD1 2233 C CD2 . PHE A 282 ? 0.4367 0.5209 0.4375 0.1188 -0.0149 -0.0558 344 PHE A CD2 2234 C CE1 . PHE A 282 ? 0.4728 0.5871 0.3925 0.1066 0.0541 -0.0275 344 PHE A CE1 2235 C CE2 . PHE A 282 ? 0.4955 0.4403 0.4281 0.1135 0.0214 -0.0069 344 PHE A CE2 2236 C CZ . PHE A 282 ? 0.4524 0.4648 0.4008 0.0815 -0.0062 -0.0669 344 PHE A CZ 2237 N N . ASN A 283 ? 0.5126 0.5444 0.4770 -0.0613 -0.0208 -0.1364 345 ASN A N 2238 C CA . ASN A 283 ? 0.5278 0.6957 0.5417 -0.0343 0.0095 -0.1124 345 ASN A CA 2239 C C . ASN A 283 ? 0.4188 0.6680 0.5163 -0.0230 -0.0404 -0.0495 345 ASN A C 2240 O O . ASN A 283 ? 0.4323 0.7437 0.6742 -0.0845 -0.0108 0.0067 345 ASN A O 2241 C CB . ASN A 283 ? 0.6352 0.7021 0.5551 -0.0581 -0.0606 -0.0900 345 ASN A CB 2242 C CG . ASN A 283 ? 0.7202 0.6246 0.5547 0.0816 -0.0438 -0.1155 345 ASN A CG 2243 O OD1 . ASN A 283 ? 0.6836 0.7659 0.7759 0.1319 -0.0477 -0.0006 345 ASN A OD1 2244 N ND2 . ASN A 283 ? 0.6566 0.7256 0.6437 0.0404 0.0088 -0.1869 345 ASN A ND2 2245 N N . ALA A 284 ? 0.3873 0.5164 0.4802 -0.0060 0.0105 -0.0150 346 ALA A N 2246 C CA . ALA A 284 ? 0.3944 0.4494 0.5140 -0.0294 -0.0550 -0.0085 346 ALA A CA 2247 C C . ALA A 284 ? 0.5380 0.5042 0.5317 0.0170 -0.0119 -0.0358 346 ALA A C 2248 O O . ALA A 284 ? 0.5702 0.7336 0.5233 -0.1038 0.0562 0.0322 346 ALA A O 2249 C CB . ALA A 284 ? 0.4584 0.5101 0.5965 0.0165 -0.0844 0.0293 346 ALA A CB 2250 N N . GLY A 285 ? 0.3910 0.3938 0.6208 0.0348 -0.0764 -0.0367 347 GLY A N 2251 C CA . GLY A 285 ? 0.3956 0.5321 0.4250 0.0273 -0.0640 -0.0842 347 GLY A CA 2252 C C . GLY A 285 ? 0.4172 0.4293 0.4715 0.0058 -0.0524 -0.0112 347 GLY A C 2253 O O . GLY A 285 ? 0.3693 0.4486 0.4947 0.0437 0.0446 0.0252 347 GLY A O 2254 N N . ALA A 286 ? 0.3809 0.3603 0.4114 -0.0212 0.0356 0.0269 348 ALA A N 2255 C CA . ALA A 286 ? 0.3836 0.3395 0.3158 0.0072 0.0282 -0.0050 348 ALA A CA 2256 C C . ALA A 286 ? 0.3688 0.3107 0.3323 -0.0197 0.0095 -0.0383 348 ALA A C 2257 O O . ALA A 286 ? 0.3583 0.3421 0.3605 -0.0136 0.0219 0.0300 348 ALA A O 2258 C CB . ALA A 286 ? 0.3601 0.3117 0.3910 0.0382 0.0138 -0.0231 348 ALA A CB 2259 N N . MET A 287 ? 0.3667 0.2803 0.3232 -0.0270 0.0485 -0.0243 349 MET A N 2260 C CA . MET A 287 ? 0.3424 0.2947 0.3093 -0.0194 0.0656 -0.0245 349 MET A CA 2261 C C . MET A 287 ? 0.3642 0.2566 0.3060 0.0148 0.0397 -0.0277 349 MET A C 2262 O O . MET A 287 ? 0.3257 0.2884 0.3063 -0.0134 0.0179 -0.0341 349 MET A O 2263 C CB . MET A 287 ? 0.3606 0.2781 0.3013 -0.0210 0.0524 -0.0149 349 MET A CB 2264 C CG . MET A 287 ? 0.3579 0.2949 0.2344 0.0072 0.0627 -0.0552 349 MET A CG 2265 S SD . MET A 287 ? 0.3549 0.2979 0.2883 -0.0314 0.0496 -0.0216 349 MET A SD 2266 C CE . MET A 287 ? 0.3923 0.2349 0.2626 -0.0561 0.0399 0.0342 349 MET A CE 2267 N N . GLU A 288 ? 0.3393 0.2467 0.2989 0.0000 0.0796 -0.0143 350 GLU A N 2268 C CA . GLU A 288 ? 0.3581 0.2914 0.2908 0.0368 0.0470 -0.0134 350 GLU A CA 2269 C C . GLU A 288 ? 0.3494 0.2952 0.2953 -0.0034 0.0689 -0.0281 350 GLU A C 2270 O O . GLU A 288 ? 0.3099 0.2792 0.2647 -0.0051 0.0934 -0.0449 350 GLU A O 2271 C CB . GLU A 288 ? 0.3331 0.2895 0.3001 0.0042 0.0689 -0.0115 350 GLU A CB 2272 C CG . GLU A 288 ? 0.3516 0.3043 0.2347 -0.0181 0.0949 0.0038 350 GLU A CG 2273 C CD . GLU A 288 ? 0.3687 0.2774 0.2798 -0.0056 0.0656 -0.0253 350 GLU A CD 2274 O OE1 . GLU A 288 ? 0.3578 0.3153 0.2916 -0.0342 0.0670 -0.0114 350 GLU A OE1 2275 O OE2 . GLU A 288 ? 0.3416 0.3056 0.3131 -0.0170 0.0609 -0.0083 350 GLU A OE2 2276 N N . ASN A 289 ? 0.3403 0.2556 0.2769 -0.0392 0.0500 -0.0274 351 ASN A N 2277 C CA . ASN A 289 ? 0.3670 0.2807 0.2576 -0.0041 0.0348 -0.0071 351 ASN A CA 2278 C C . ASN A 289 ? 0.3403 0.2745 0.2325 -0.0144 0.0799 0.0116 351 ASN A C 2279 O O . ASN A 289 ? 0.3626 0.2459 0.2875 -0.0155 0.0734 -0.0343 351 ASN A O 2280 C CB . ASN A 289 ? 0.3503 0.2482 0.2722 -0.0164 0.0610 -0.0088 351 ASN A CB 2281 C CG . ASN A 289 ? 0.3596 0.2539 0.2583 -0.0032 0.0604 -0.0228 351 ASN A CG 2282 O OD1 . ASN A 289 ? 0.3282 0.2472 0.2569 -0.0134 0.0624 -0.0098 351 ASN A OD1 2283 N ND2 . ASN A 289 ? 0.3643 0.2810 0.2468 -0.0166 0.0637 0.0203 351 ASN A ND2 2284 N N . TRP A 290 ? 0.3653 0.2720 0.2373 -0.0345 0.0696 0.0249 352 TRP A N 2285 C CA . TRP A 290 ? 0.3791 0.2643 0.2584 -0.0162 0.0567 0.0006 352 TRP A CA 2286 C C . TRP A 290 ? 0.3642 0.2659 0.2849 -0.0177 0.0420 -0.0020 352 TRP A C 2287 O O . TRP A 290 ? 0.3701 0.2643 0.2911 -0.0239 0.0686 0.0268 352 TRP A O 2288 C CB . TRP A 290 ? 0.3417 0.2315 0.2814 -0.0206 0.0583 -0.0115 352 TRP A CB 2289 C CG . TRP A 290 ? 0.3356 0.2568 0.2660 -0.0217 0.0571 -0.0105 352 TRP A CG 2290 C CD1 . TRP A 290 ? 0.3423 0.2760 0.2869 -0.0254 0.0615 -0.0340 352 TRP A CD1 2291 C CD2 . TRP A 290 ? 0.3535 0.2508 0.2789 -0.0123 0.0643 -0.0145 352 TRP A CD2 2292 N NE1 . TRP A 290 ? 0.3508 0.2746 0.3004 -0.0288 0.0559 -0.0511 352 TRP A NE1 2293 C CE2 . TRP A 290 ? 0.3708 0.3019 0.2897 -0.0187 0.0505 -0.0342 352 TRP A CE2 2294 C CE3 . TRP A 290 ? 0.3541 0.3158 0.2649 0.0240 0.0804 -0.0056 352 TRP A CE3 2295 C CZ2 . TRP A 290 ? 0.3330 0.3031 0.2780 -0.0380 0.0672 -0.0421 352 TRP A CZ2 2296 C CZ3 . TRP A 290 ? 0.3380 0.3069 0.2743 -0.0041 0.0547 -0.0611 352 TRP A CZ3 2297 C CH2 . TRP A 290 ? 0.4085 0.3086 0.2586 -0.0262 0.0695 -0.0553 352 TRP A CH2 2298 N N . GLY A 291 ? 0.3898 0.2620 0.2872 -0.0281 0.0473 -0.0038 353 GLY A N 2299 C CA . GLY A 291 ? 0.3430 0.2642 0.3701 -0.0106 0.0333 0.0294 353 GLY A CA 2300 C C . GLY A 291 ? 0.4252 0.2208 0.3150 -0.0117 0.0589 -0.0329 353 GLY A C 2301 O O . GLY A 291 ? 0.3851 0.2812 0.3420 -0.0359 0.0510 -0.0084 353 GLY A O 2302 N N . LEU A 292 ? 0.3236 0.2533 0.3460 0.0139 0.0348 0.0163 354 LEU A N 2303 C CA . LEU A 292 ? 0.3897 0.2563 0.3060 0.0015 0.0588 0.0141 354 LEU A CA 2304 C C . LEU A 292 ? 0.3715 0.2737 0.3126 -0.0022 0.0315 -0.0025 354 LEU A C 2305 O O . LEU A 292 ? 0.3759 0.2719 0.2825 0.0028 0.0656 0.0102 354 LEU A O 2306 C CB . LEU A 292 ? 0.3435 0.2665 0.3191 -0.0233 0.0637 0.0283 354 LEU A CB 2307 C CG . LEU A 292 ? 0.3819 0.2737 0.3146 -0.0180 0.0761 0.0423 354 LEU A CG 2308 C CD1 . LEU A 292 ? 0.3886 0.2488 0.3661 0.0182 0.0650 0.0255 354 LEU A CD1 2309 C CD2 . LEU A 292 ? 0.4112 0.2270 0.3309 -0.0178 0.0289 -0.0124 354 LEU A CD2 2310 N N . VAL A 293 ? 0.3820 0.3011 0.2994 0.0221 0.0655 0.0387 355 VAL A N 2311 C CA . VAL A 293 ? 0.3519 0.3223 0.3043 0.0201 0.0430 0.0024 355 VAL A CA 2312 C C . VAL A 293 ? 0.3753 0.2791 0.2798 0.0129 0.0604 -0.0080 355 VAL A C 2313 O O . VAL A 293 ? 0.3698 0.2470 0.3538 -0.0152 0.0533 0.0110 355 VAL A O 2314 C CB . VAL A 293 ? 0.3648 0.2814 0.3201 0.0121 0.0474 -0.0055 355 VAL A CB 2315 C CG1 . VAL A 293 ? 0.3625 0.2825 0.3227 -0.0180 0.0406 -0.0020 355 VAL A CG1 2316 C CG2 . VAL A 293 ? 0.3668 0.2528 0.2959 0.0014 0.0562 -0.0642 355 VAL A CG2 2317 N N . THR A 294 ? 0.3440 0.2830 0.3313 0.0023 0.0652 -0.0049 356 THR A N 2318 C CA . THR A 294 ? 0.3636 0.2715 0.3192 -0.0282 0.0478 0.0265 356 THR A CA 2319 C C . THR A 294 ? 0.4005 0.3095 0.3241 0.0108 0.0085 0.0031 356 THR A C 2320 O O . THR A 294 ? 0.3698 0.3149 0.3417 -0.0244 0.0468 -0.0119 356 THR A O 2321 C CB . THR A 294 ? 0.3682 0.3005 0.2711 0.0046 0.0305 0.0156 356 THR A CB 2322 O OG1 . THR A 294 ? 0.3637 0.2638 0.3203 0.0227 0.0837 0.0049 356 THR A OG1 2323 C CG2 . THR A 294 ? 0.4044 0.2783 0.3045 0.0246 0.0424 -0.0244 356 THR A CG2 2324 N N . TYR A 295 ? 0.4097 0.2632 0.3626 0.0178 0.0014 0.0178 357 TYR A N 2325 C CA . TYR A 295 ? 0.3830 0.3051 0.3473 0.0171 0.0157 0.0169 357 TYR A CA 2326 C C . TYR A 295 ? 0.4161 0.3280 0.3353 0.0347 0.0152 -0.0140 357 TYR A C 2327 O O . TYR A 295 ? 0.3682 0.3536 0.3663 0.0096 0.0075 0.0197 357 TYR A O 2328 C CB . TYR A 295 ? 0.3792 0.3158 0.3468 0.0097 0.0260 -0.0052 357 TYR A CB 2329 C CG . TYR A 295 ? 0.3922 0.3244 0.3706 0.0549 0.0160 -0.0444 357 TYR A CG 2330 C CD1 . TYR A 295 ? 0.3827 0.2991 0.3359 0.0187 0.0701 -0.0057 357 TYR A CD1 2331 C CD2 . TYR A 295 ? 0.4024 0.3555 0.3755 -0.0217 0.0493 -0.0204 357 TYR A CD2 2332 C CE1 . TYR A 295 ? 0.3863 0.2964 0.3841 0.0083 0.0370 -0.0176 357 TYR A CE1 2333 C CE2 . TYR A 295 ? 0.3670 0.2872 0.3510 0.0348 0.0414 0.0118 357 TYR A CE2 2334 C CZ . TYR A 295 ? 0.4131 0.2645 0.3599 0.0288 0.0112 -0.0012 357 TYR A CZ 2335 O OH . TYR A 295 ? 0.4421 0.2971 0.3647 0.0230 0.0285 -0.0259 357 TYR A OH 2336 N N . ARG A 296 ? 0.4271 0.3683 0.3571 0.0109 0.0095 0.0238 358 ARG A N 2337 C CA . ARG A 296 ? 0.4009 0.3848 0.4285 0.0803 -0.0137 0.0358 358 ARG A CA 2338 C C . ARG A 296 ? 0.3932 0.4018 0.4305 -0.0490 -0.0103 0.0293 358 ARG A C 2339 O O . ARG A 296 ? 0.4117 0.4268 0.3670 0.0243 -0.0257 0.0398 358 ARG A O 2340 C CB . ARG A 296 ? 0.4588 0.4024 0.5322 -0.0187 -0.0694 0.0348 358 ARG A CB 2341 C CG . ARG A 296 ? 0.5520 0.5761 0.4757 0.0036 -0.0011 0.0001 358 ARG A CG 2342 C CD . ARG A 296 ? 0.5641 0.5279 0.5950 0.0381 0.0677 0.0487 358 ARG A CD 2343 N NE . ARG A 296 ? 0.5201 0.5227 0.6324 -0.0798 0.0050 0.0521 358 ARG A NE 2344 C CZ . ARG A 296 ? 0.9038 0.5330 0.5000 -0.0850 0.0210 -0.0335 358 ARG A CZ 2345 N NH1 . ARG A 296 ? 0.9910 0.7477 0.6554 -0.0706 -0.0086 0.1590 358 ARG A NH1 2346 N NH2 . ARG A 296 ? 0.7822 0.6393 0.5206 -0.0996 0.0366 -0.0794 358 ARG A NH2 2347 N N . GLU A 297 ? 0.5307 0.4908 0.3943 -0.0275 -0.0740 0.0484 359 GLU A N 2348 C CA . GLU A 297 ? 0.5862 0.4503 0.4577 0.0994 -0.0596 0.0169 359 GLU A CA 2349 C C . GLU A 297 ? 0.5061 0.4592 0.4250 0.0820 -0.0350 0.0197 359 GLU A C 2350 O O . GLU A 297 ? 0.5884 0.4067 0.5125 0.0496 -0.0486 0.0300 359 GLU A O 2351 C CB . GLU A 297 ? 0.6285 0.5500 0.4693 0.0168 0.0117 0.1148 359 GLU A CB 2352 C CG . GLU A 297 ? 0.6245 0.5834 0.5312 0.0176 0.0350 0.0748 359 GLU A CG 2353 C CD . GLU A 297 ? 0.5689 0.6816 0.5626 0.1293 0.0305 0.1407 359 GLU A CD 2354 O OE1 . GLU A 297 ? 0.6565 0.5810 0.6347 0.1270 -0.0510 0.0087 359 GLU A OE1 2355 O OE2 . GLU A 297 ? 0.6111 0.6167 0.4516 0.1188 0.0705 0.0689 359 GLU A OE2 2356 N N . ASN A 298 ? 0.5018 0.4270 0.4535 0.0334 -0.0631 0.0090 360 ASN A N 2357 C CA . ASN A 298 ? 0.5512 0.4543 0.5452 0.1385 -0.0533 0.0852 360 ASN A CA 2358 C C . ASN A 298 ? 0.4883 0.4829 0.5630 0.1130 -0.0889 -0.0554 360 ASN A C 2359 O O . ASN A 298 ? 0.5179 0.5159 0.8467 0.1111 0.0090 -0.0781 360 ASN A O 2360 C CB . ASN A 298 ? 0.6272 0.6256 0.7268 0.0528 -0.0856 -0.0176 360 ASN A CB 2361 C CG . ASN A 298 ? 0.9288 0.7808 0.6658 -0.0239 0.0984 -0.0888 360 ASN A CG 2362 O OD1 . ASN A 298 ? 1.2039 0.7778 0.8914 0.1406 0.0434 -0.1818 360 ASN A OD1 2363 N ND2 . ASN A 298 ? 0.9444 0.8433 0.6799 0.0927 0.1121 -0.1279 360 ASN A ND2 2364 N N . ALA A 299 ? 0.4796 0.3593 0.4953 0.0008 -0.0401 0.0187 361 ALA A N 2365 C CA . ALA A 299 ? 0.4753 0.4297 0.4807 0.0298 0.0518 -0.0251 361 ALA A CA 2366 C C . ALA A 299 ? 0.5334 0.3810 0.5165 0.0472 0.0893 -0.0906 361 ALA A C 2367 O O . ALA A 299 ? 0.6024 0.4511 0.5039 -0.0176 0.1152 -0.0556 361 ALA A O 2368 C CB . ALA A 299 ? 0.4943 0.4211 0.5156 -0.0371 0.0346 -0.0026 361 ALA A CB 2369 N N . LEU A 300 ? 0.4914 0.3927 0.4837 0.0678 0.0467 0.0172 362 LEU A N 2370 C CA . LEU A 300 ? 0.4538 0.3623 0.4127 0.1098 0.0151 -0.0233 362 LEU A CA 2371 C C . LEU A 300 ? 0.4286 0.4055 0.4146 0.0846 0.0539 0.0158 362 LEU A C 2372 O O . LEU A 300 ? 0.4778 0.3303 0.4508 0.0836 0.0634 0.0711 362 LEU A O 2373 C CB . LEU A 300 ? 0.4572 0.3120 0.4160 0.0811 0.0335 0.0038 362 LEU A CB 2374 C CG . LEU A 300 ? 0.4626 0.3109 0.4095 0.0676 0.0341 0.0174 362 LEU A CG 2375 C CD1 . LEU A 300 ? 0.4249 0.2921 0.4030 0.0851 0.0086 0.0002 362 LEU A CD1 2376 C CD2 . LEU A 300 ? 0.4449 0.3444 0.3805 0.0407 0.0440 0.0183 362 LEU A CD2 2377 N N . LEU A 301 ? 0.4546 0.4588 0.4535 0.0784 -0.0077 0.0657 363 LEU A N 2378 C CA . LEU A 301 ? 0.5197 0.3643 0.4870 0.1031 0.0257 0.0248 363 LEU A CA 2379 C C . LEU A 301 ? 0.5419 0.4163 0.4601 0.1168 0.0420 0.0194 363 LEU A C 2380 O O . LEU A 301 ? 0.5406 0.3660 0.5357 0.0535 0.0038 -0.0019 363 LEU A O 2381 C CB . LEU A 301 ? 0.5210 0.3772 0.4706 0.0915 0.0459 0.0485 363 LEU A CB 2382 C CG . LEU A 301 ? 0.5549 0.4285 0.4838 0.1570 -0.0399 0.0249 363 LEU A CG 2383 C CD1 . LEU A 301 ? 0.6038 0.4561 0.4901 0.1381 0.1282 0.0489 363 LEU A CD1 2384 C CD2 . LEU A 301 ? 0.5086 0.4015 0.5605 0.1138 0.0110 0.0778 363 LEU A CD2 2385 N N . PHE A 302 ? 0.5087 0.4256 0.4767 0.0815 0.0431 0.0499 364 PHE A N 2386 C CA . PHE A 302 ? 0.5371 0.3824 0.5265 0.0993 -0.0031 0.0389 364 PHE A CA 2387 C C . PHE A 302 ? 0.5521 0.3545 0.5774 0.1053 -0.0654 0.0264 364 PHE A C 2388 O O . PHE A 302 ? 0.5172 0.3862 0.5564 0.1027 0.0116 0.1076 364 PHE A O 2389 C CB . PHE A 302 ? 0.5580 0.2594 0.5388 0.1132 -0.0217 0.0490 364 PHE A CB 2390 C CG . PHE A 302 ? 0.5335 0.4371 0.5324 0.0991 0.0334 -0.0591 364 PHE A CG 2391 C CD1 . PHE A 302 ? 0.5138 0.4806 0.5266 0.1514 -0.0399 0.0005 364 PHE A CD1 2392 C CD2 . PHE A 302 ? 0.5896 0.3858 0.5850 0.1019 0.0406 0.0789 364 PHE A CD2 2393 C CE1 . PHE A 302 ? 0.5108 0.5102 0.6767 0.1504 0.0355 0.0218 364 PHE A CE1 2394 C CE2 . PHE A 302 ? 0.5346 0.5104 0.5832 0.1121 -0.0178 0.0003 364 PHE A CE2 2395 C CZ . PHE A 302 ? 0.5500 0.5210 0.6405 0.0825 -0.0260 0.0453 364 PHE A CZ 2396 N N . ASP A 303 ? 0.5602 0.3672 0.5878 0.0658 -0.1061 -0.0164 365 ASP A N 2397 C CA . ASP A 303 ? 0.6020 0.4896 0.5788 0.0548 -0.0422 0.0663 365 ASP A CA 2398 C C . ASP A 303 ? 0.5811 0.4851 0.6490 0.0766 -0.0767 0.0379 365 ASP A C 2399 O O . ASP A 303 ? 0.6394 0.4722 0.6751 0.0477 -0.1046 0.0245 365 ASP A O 2400 C CB . ASP A 303 ? 0.5822 0.4882 0.5649 0.0739 -0.0907 0.1039 365 ASP A CB 2401 C CG . ASP A 303 ? 0.6701 0.4973 0.7670 0.0316 -0.1731 0.1893 365 ASP A CG 2402 O OD1 . ASP A 303 ? 0.7172 0.5016 0.7547 0.0041 -0.1174 0.2208 365 ASP A OD1 2403 O OD2 . ASP A 303 ? 0.6892 0.6895 0.6187 -0.0349 -0.1183 0.2242 365 ASP A OD2 2404 N N . PRO A 304 ? 0.5655 0.4366 0.7135 0.1005 -0.0770 0.0684 366 PRO A N 2405 C CA . PRO A 304 ? 0.5451 0.5351 0.7783 0.1261 -0.0442 0.0683 366 PRO A CA 2406 C C . PRO A 304 ? 0.5394 0.6424 0.7749 0.1215 -0.0451 0.1034 366 PRO A C 2407 O O . PRO A 304 ? 0.6643 0.6323 0.9055 0.1278 0.0971 0.0513 366 PRO A O 2408 C CB . PRO A 304 ? 0.5968 0.5548 0.8513 0.1008 -0.0869 0.0094 366 PRO A CB 2409 C CG . PRO A 304 ? 0.6642 0.5489 0.7833 0.1215 0.0469 -0.0333 366 PRO A CG 2410 C CD . PRO A 304 ? 0.5856 0.3658 0.6901 0.0870 -0.0286 0.1054 366 PRO A CD 2411 N N . GLN A 305 ? 0.6524 0.5387 0.7615 0.0568 -0.0729 0.2519 367 GLN A N 2412 C CA . GLN A 305 ? 0.5018 0.7377 0.7988 0.0928 -0.0792 0.1710 367 GLN A CA 2413 C C . GLN A 305 ? 0.5156 0.6301 0.8814 0.1256 -0.0158 0.1580 367 GLN A C 2414 O O . GLN A 305 ? 0.6451 0.6257 1.0996 0.2524 -0.0308 0.1783 367 GLN A O 2415 C CB . GLN A 305 ? 0.7019 0.8057 0.8525 -0.0389 -0.0056 0.2455 367 GLN A CB 2416 C CG . GLN A 305 ? 0.7709 0.8886 1.0685 -0.0919 0.0620 0.1587 367 GLN A CG 2417 C CD . GLN A 305 ? 0.6328 1.0553 1.1922 -0.0069 -0.0504 0.2343 367 GLN A CD 2418 O OE1 . GLN A 305 ? 0.7599 1.2412 1.5223 0.1607 -0.1443 0.1129 367 GLN A OE1 2419 N NE2 . GLN A 305 ? 0.7843 1.2731 1.2886 -0.0046 0.1704 0.1894 367 GLN A NE2 2420 N N . SER A 306 ? 0.5883 0.5700 0.6852 0.0567 -0.0860 0.0695 368 SER A N 2421 C CA . SER A 306 ? 0.5062 0.7515 0.6760 0.0400 -0.1368 0.0869 368 SER A CA 2422 C C . SER A 306 ? 0.6854 0.7045 0.6928 -0.0366 -0.1164 0.0435 368 SER A C 2423 O O . SER A 306 ? 0.5805 0.7573 0.6786 0.0415 -0.1644 0.0565 368 SER A O 2424 C CB . SER A 306 ? 0.5348 0.6670 0.8137 0.0922 -0.0780 0.0807 368 SER A CB 2425 O OG . SER A 306 ? 0.5476 0.5705 0.7084 0.0029 -0.0464 0.1978 368 SER A OG 2426 N N . SER A 307 ? 0.6924 0.6498 0.7547 0.0151 -0.1662 0.1738 369 SER A N 2427 C CA . SER A 307 ? 0.5546 0.5607 0.6926 0.0149 -0.0641 0.0851 369 SER A CA 2428 C C . SER A 307 ? 0.5903 0.4674 0.7443 0.0556 -0.0634 0.0579 369 SER A C 2429 O O . SER A 307 ? 0.6016 0.5461 0.6891 -0.0210 -0.1556 -0.0104 369 SER A O 2430 C CB . SER A 307 ? 0.5270 0.4549 0.6554 0.0232 -0.0378 0.0646 369 SER A CB 2431 O OG . SER A 307 ? 0.7116 0.4927 0.6478 0.0492 0.0150 0.0340 369 SER A OG 2432 N N . SER A 308 ? 0.5058 0.5177 0.6807 -0.0031 -0.0762 -0.0376 370 SER A N 2433 C CA . SER A 308 ? 0.4941 0.4938 0.6785 0.0425 -0.0262 0.0312 370 SER A CA 2434 C C . SER A 308 ? 0.4608 0.5023 0.7023 0.0404 0.0004 0.0334 370 SER A C 2435 O O . SER A 308 ? 0.5560 0.5095 0.7196 0.0930 -0.0936 0.0435 370 SER A O 2436 C CB . SER A 308 ? 0.4916 0.5314 0.6178 0.0245 -0.1440 0.0010 370 SER A CB 2437 O OG . SER A 308 ? 0.5383 0.4761 0.7095 -0.0460 -0.0275 -0.0048 370 SER A OG 2438 N N . ILE A 309 ? 0.5707 0.4387 0.6519 0.0554 -0.0522 0.0437 371 ILE A N 2439 C CA . ILE A 309 ? 0.4999 0.4734 0.6851 0.0774 -0.0984 0.0228 371 ILE A CA 2440 C C . ILE A 309 ? 0.4935 0.4546 0.6556 0.0451 -0.0832 0.0102 371 ILE A C 2441 O O . ILE A 309 ? 0.4183 0.4209 0.6331 0.0203 -0.0470 -0.0364 371 ILE A O 2442 C CB . ILE A 309 ? 0.5474 0.5385 0.7123 0.1306 -0.0812 0.0114 371 ILE A CB 2443 C CG1 . ILE A 309 ? 0.5848 0.4091 0.7212 0.1302 -0.0577 -0.0293 371 ILE A CG1 2444 C CG2 . ILE A 309 ? 0.6323 0.5533 0.6525 0.0676 -0.0394 0.1067 371 ILE A CG2 2445 C CD1 . ILE A 309 ? 0.4872 0.5953 0.7300 0.0982 -0.0512 -0.0400 371 ILE A CD1 2446 N N . SER A 310 ? 0.4639 0.4470 0.6729 0.0443 -0.0768 -0.0057 372 SER A N 2447 C CA . SER A 310 ? 0.4640 0.4475 0.6725 0.0472 -0.0528 -0.0036 372 SER A CA 2448 C C . SER A 310 ? 0.5640 0.4528 0.5999 0.0466 0.0152 -0.0180 372 SER A C 2449 O O . SER A 310 ? 0.5100 0.4216 0.6233 0.0068 -0.0148 -0.0410 372 SER A O 2450 C CB . SER A 310 ? 0.5541 0.4972 0.6345 -0.0123 -0.1158 -0.0311 372 SER A CB 2451 O OG . SER A 310 ? 0.6968 0.6137 0.6786 -0.0228 -0.1435 -0.1025 372 SER A OG 2452 N N . ASN A 311 ? 0.6088 0.4512 0.6376 0.0803 0.0082 0.0274 373 ASN A N 2453 C CA . ASN A 311 ? 0.5475 0.4459 0.6300 -0.0148 0.0135 -0.0123 373 ASN A CA 2454 C C . ASN A 311 ? 0.5880 0.4595 0.5794 0.1027 -0.0535 -0.0402 373 ASN A C 2455 O O . ASN A 311 ? 0.5892 0.3538 0.5873 0.0756 -0.0114 -0.0753 373 ASN A O 2456 C CB . ASN A 311 ? 0.7081 0.4785 0.6670 0.0495 -0.1066 0.0612 373 ASN A CB 2457 C CG . ASN A 311 ? 0.8030 0.7362 0.6944 -0.1089 -0.0515 0.0139 373 ASN A CG 2458 O OD1 . ASN A 311 ? 0.7051 0.8830 0.9217 -0.0590 0.0140 0.0487 373 ASN A OD1 2459 N ND2 . ASN A 311 ? 0.6901 0.8104 0.7044 -0.0997 -0.0064 -0.0280 373 ASN A ND2 2460 N N . LYS A 312 ? 0.5949 0.4304 0.5513 0.0405 -0.0007 -0.0146 374 LYS A N 2461 C CA . LYS A 312 ? 0.5131 0.4514 0.6096 0.0624 0.0238 0.0087 374 LYS A CA 2462 C C . LYS A 312 ? 0.4644 0.3585 0.5623 0.0815 -0.0012 -0.0388 374 LYS A C 2463 O O . LYS A 312 ? 0.4492 0.3365 0.5363 0.0729 0.0162 -0.0366 374 LYS A O 2464 C CB . LYS A 312 ? 0.5891 0.4252 0.5733 0.0282 0.0291 0.0341 374 LYS A CB 2465 C CG . LYS A 312 ? 0.4766 0.4127 0.5660 0.1230 0.0115 0.0070 374 LYS A CG 2466 C CD . LYS A 312 ? 0.4964 0.3951 0.7009 0.0470 0.0603 -0.0215 374 LYS A CD 2467 C CE . LYS A 312 ? 0.5642 0.4098 0.7081 0.0315 -0.0743 -0.0170 374 LYS A CE 2468 N NZ . LYS A 312 ? 0.5158 0.3917 0.7738 0.0716 -0.0110 -0.0461 374 LYS A NZ 2469 N N . GLU A 313 ? 0.4712 0.3751 0.5559 0.0488 0.0129 -0.0611 375 GLU A N 2470 C CA . GLU A 313 ? 0.4404 0.3875 0.5247 0.0477 -0.0235 -0.0745 375 GLU A CA 2471 C C . GLU A 313 ? 0.4353 0.3617 0.5176 0.0220 0.0084 -0.0446 375 GLU A C 2472 O O . GLU A 313 ? 0.4226 0.3426 0.4733 0.0373 0.0391 -0.0696 375 GLU A O 2473 C CB . GLU A 313 ? 0.4439 0.4689 0.5416 0.0795 -0.0099 -0.0292 375 GLU A CB 2474 C CG . GLU A 313 ? 0.4893 0.4519 0.5506 0.0573 -0.0047 -0.0344 375 GLU A CG 2475 C CD . GLU A 313 ? 0.5220 0.4538 0.5335 0.0966 0.0345 -0.0654 375 GLU A CD 2476 O OE1 . GLU A 313 ? 0.5513 0.4576 0.5666 -0.0158 0.0309 -0.0720 375 GLU A OE1 2477 O OE2 . GLU A 313 ? 0.4607 0.5737 0.6625 0.0858 0.0002 0.0534 375 GLU A OE2 2478 N N . ARG A 314 ? 0.4545 0.4229 0.5112 0.0860 0.0429 -0.0825 376 ARG A N 2479 C CA . ARG A 314 ? 0.4573 0.3830 0.4827 0.0606 0.0004 -0.0476 376 ARG A CA 2480 C C . ARG A 314 ? 0.4746 0.3735 0.4831 0.0695 0.0502 -0.0673 376 ARG A C 2481 O O . ARG A 314 ? 0.4714 0.3880 0.4577 0.0206 0.0687 0.0196 376 ARG A O 2482 C CB . ARG A 314 ? 0.5317 0.4376 0.5176 0.0200 -0.0205 -0.0462 376 ARG A CB 2483 C CG . ARG A 314 ? 0.5590 0.6730 0.5583 -0.0181 -0.0259 -0.0413 376 ARG A CG 2484 C CD . ARG A 314 ? 0.6274 0.5797 0.7835 0.0339 -0.1081 -0.0917 376 ARG A CD 2485 N NE . ARG A 314 ? 0.7512 0.6556 0.7837 0.0752 -0.0384 0.1142 376 ARG A NE 2486 C CZ . ARG A 314 ? 0.5860 0.8252 0.6191 0.1125 -0.0256 0.0479 376 ARG A CZ 2487 N NH1 . ARG A 314 ? 0.5616 0.8036 0.7361 -0.1170 0.0380 -0.0992 376 ARG A NH1 2488 N NH2 . ARG A 314 ? 0.6551 0.7268 0.7231 0.1421 -0.0538 0.0765 376 ARG A NH2 2489 N N . VAL A 315 ? 0.4832 0.3711 0.4763 0.0509 0.0248 -0.0588 377 VAL A N 2490 C CA . VAL A 315 ? 0.4616 0.3595 0.4598 0.0810 0.0314 -0.0455 377 VAL A CA 2491 C C . VAL A 315 ? 0.4731 0.3506 0.4635 0.0859 0.0178 -0.0123 377 VAL A C 2492 O O . VAL A 315 ? 0.4180 0.2894 0.4253 0.0552 0.0792 -0.0594 377 VAL A O 2493 C CB . VAL A 315 ? 0.4700 0.3791 0.4842 0.0389 0.0253 -0.0445 377 VAL A CB 2494 C CG1 . VAL A 315 ? 0.4677 0.3436 0.4990 0.0523 0.0779 0.0366 377 VAL A CG1 2495 C CG2 . VAL A 315 ? 0.5107 0.5067 0.4471 0.0497 0.0707 0.0351 377 VAL A CG2 2496 N N . VAL A 316 ? 0.4336 0.2975 0.4426 0.0787 0.0243 0.0211 378 VAL A N 2497 C CA . VAL A 316 ? 0.4098 0.3460 0.4252 0.0488 0.0858 -0.0320 378 VAL A CA 2498 C C . VAL A 316 ? 0.4045 0.2763 0.4313 0.0650 0.0523 -0.0630 378 VAL A C 2499 O O . VAL A 316 ? 0.4106 0.2866 0.4414 0.0490 0.0469 -0.0378 378 VAL A O 2500 C CB . VAL A 316 ? 0.4448 0.3095 0.4604 0.0307 0.0309 -0.0296 378 VAL A CB 2501 C CG1 . VAL A 316 ? 0.4660 0.3649 0.4365 0.0455 0.0716 -0.0874 378 VAL A CG1 2502 C CG2 . VAL A 316 ? 0.4586 0.3087 0.4253 0.0455 0.0372 -0.0285 378 VAL A CG2 2503 N N . THR A 317 ? 0.3817 0.2950 0.4354 0.0541 0.0574 -0.0929 379 THR A N 2504 C CA . THR A 317 ? 0.3833 0.3307 0.4196 0.0270 0.0314 -0.0486 379 THR A CA 2505 C C . THR A 317 ? 0.3308 0.3374 0.4237 0.0012 0.0655 -0.0356 379 THR A C 2506 O O . THR A 317 ? 0.3931 0.3120 0.3872 0.0561 0.0768 -0.0553 379 THR A O 2507 C CB . THR A 317 ? 0.3946 0.3722 0.4414 0.0439 0.0629 -0.0281 379 THR A CB 2508 O OG1 . THR A 317 ? 0.3965 0.3350 0.4919 -0.0162 0.0315 -0.0940 379 THR A OG1 2509 C CG2 . THR A 317 ? 0.3457 0.3796 0.5013 0.0256 0.0649 -0.0668 379 THR A CG2 2510 N N . VAL A 318 ? 0.3479 0.3046 0.4123 0.0067 0.0675 -0.0294 380 VAL A N 2511 C CA . VAL A 318 ? 0.3686 0.3043 0.4222 0.0188 0.0349 -0.0272 380 VAL A CA 2512 C C . VAL A 318 ? 0.3867 0.3104 0.3907 0.0221 0.0543 -0.0232 380 VAL A C 2513 O O . VAL A 318 ? 0.3149 0.2916 0.3833 -0.0234 0.0530 -0.0331 380 VAL A O 2514 C CB . VAL A 318 ? 0.3892 0.3707 0.4723 0.0703 -0.0504 -0.0835 380 VAL A CB 2515 C CG1 . VAL A 318 ? 0.4209 0.4619 0.4771 0.0288 0.0494 -0.1285 380 VAL A CG1 2516 C CG2 . VAL A 318 ? 0.4701 0.4042 0.4487 -0.0211 -0.0177 -0.0943 380 VAL A CG2 2517 N N . ILE A 319 ? 0.4027 0.2962 0.3968 0.0076 0.0480 -0.0424 381 ILE A N 2518 C CA . ILE A 319 ? 0.4042 0.3038 0.4000 0.0194 0.0395 0.0107 381 ILE A CA 2519 C C . ILE A 319 ? 0.3983 0.2858 0.3782 0.0068 0.0574 -0.0103 381 ILE A C 2520 O O . ILE A 319 ? 0.3588 0.2777 0.3237 0.0266 0.0897 -0.0463 381 ILE A O 2521 C CB . ILE A 319 ? 0.3983 0.3159 0.3995 0.0496 0.0577 0.0438 381 ILE A CB 2522 C CG1 . ILE A 319 ? 0.4396 0.2853 0.3968 0.0354 0.0570 -0.0378 381 ILE A CG1 2523 C CG2 . ILE A 319 ? 0.4226 0.2778 0.3690 -0.0016 0.0805 0.0070 381 ILE A CG2 2524 C CD1 . ILE A 319 ? 0.4321 0.3313 0.4225 0.0105 0.0758 0.0268 381 ILE A CD1 2525 N N . ALA A 320 ? 0.4033 0.2413 0.4044 0.0113 0.0751 -0.0353 382 ALA A N 2526 C CA . ALA A 320 ? 0.3788 0.2706 0.3922 -0.0028 0.0560 -0.0376 382 ALA A CA 2527 C C . ALA A 320 ? 0.3558 0.2959 0.3769 0.0102 0.0765 -0.0230 382 ALA A C 2528 O O . ALA A 320 ? 0.3824 0.2810 0.3496 -0.0052 0.0727 -0.0600 382 ALA A O 2529 C CB . ALA A 320 ? 0.4023 0.3121 0.3652 -0.0308 0.0630 -0.1094 382 ALA A CB 2530 N N . HIS A 321 ? 0.3827 0.3059 0.2938 0.0072 0.0869 -0.0624 383 HIS A N 2531 C CA . HIS A 321 ? 0.3744 0.3027 0.3370 0.0086 0.0511 -0.0530 383 HIS A CA 2532 C C . HIS A 321 ? 0.3887 0.2977 0.3273 -0.0087 0.0610 -0.0539 383 HIS A C 2533 O O . HIS A 321 ? 0.3761 0.2597 0.3156 -0.0230 0.0655 -0.0686 383 HIS A O 2534 C CB . HIS A 321 ? 0.3514 0.3010 0.3077 -0.0268 0.1025 -0.0552 383 HIS A CB 2535 C CG . HIS A 321 ? 0.3321 0.3074 0.3424 0.0106 0.0670 -0.0551 383 HIS A CG 2536 N ND1 . HIS A 321 ? 0.4034 0.3150 0.3267 0.0216 0.1221 -0.0384 383 HIS A ND1 2537 C CD2 . HIS A 321 ? 0.3710 0.2538 0.3290 -0.0071 0.0670 -0.0649 383 HIS A CD2 2538 C CE1 . HIS A 321 ? 0.3777 0.3106 0.3047 0.0069 0.0682 -0.0499 383 HIS A CE1 2539 N NE2 . HIS A 321 ? 0.3578 0.2709 0.3191 0.0246 0.0312 -0.0121 383 HIS A NE2 2540 N N . GLU A 322 ? 0.3537 0.3136 0.3285 -0.0126 0.0579 -0.0170 384 GLU A N 2541 C CA . GLU A 322 ? 0.3821 0.2811 0.3106 -0.0039 0.0421 -0.0476 384 GLU A CA 2542 C C . GLU A 322 ? 0.3594 0.2943 0.2530 -0.0057 0.0807 -0.0116 384 GLU A C 2543 O O . GLU A 322 ? 0.3705 0.2611 0.3190 0.0068 0.0640 -0.0415 384 GLU A O 2544 C CB . GLU A 322 ? 0.3700 0.2892 0.3159 0.0160 0.0508 -0.0496 384 GLU A CB 2545 C CG . GLU A 322 ? 0.3410 0.3006 0.3122 0.0144 0.0316 -0.0129 384 GLU A CG 2546 C CD . GLU A 322 ? 0.3695 0.3072 0.4072 0.0051 -0.0073 -0.0535 384 GLU A CD 2547 O OE1 . GLU A 322 ? 0.3929 0.3613 0.4263 -0.0192 0.1157 -0.0688 384 GLU A OE1 2548 O OE2 . GLU A 322 ? 0.4231 0.2933 0.4134 0.0079 -0.0036 -0.0400 384 GLU A OE2 2549 N N . LEU A 323 ? 0.3565 0.2760 0.2630 0.0004 0.0654 -0.0062 385 LEU A N 2550 C CA . LEU A 323 ? 0.3688 0.2699 0.3367 -0.0315 0.0829 -0.0383 385 LEU A CA 2551 C C . LEU A 323 ? 0.3887 0.2798 0.3318 -0.0182 0.0437 -0.0519 385 LEU A C 2552 O O . LEU A 323 ? 0.3535 0.2983 0.3287 -0.0188 0.0768 -0.0393 385 LEU A O 2553 C CB . LEU A 323 ? 0.3391 0.2672 0.3946 -0.0342 0.0057 -0.0224 385 LEU A CB 2554 C CG . LEU A 323 ? 0.3933 0.2695 0.4244 -0.0304 0.0365 -0.0255 385 LEU A CG 2555 C CD1 . LEU A 323 ? 0.4217 0.2628 0.3732 -0.0109 0.0166 0.0346 385 LEU A CD1 2556 C CD2 . LEU A 323 ? 0.3990 0.3029 0.4032 -0.0299 0.0399 -0.0143 385 LEU A CD2 2557 N N . ALA A 324 ? 0.3855 0.2627 0.3574 0.0131 0.0850 -0.0392 386 ALA A N 2558 C CA . ALA A 324 ? 0.3704 0.2924 0.3340 0.0107 0.0525 -0.0452 386 ALA A CA 2559 C C . ALA A 324 ? 0.3498 0.2795 0.3367 -0.0083 0.0473 -0.0493 386 ALA A C 2560 O O . ALA A 324 ? 0.3227 0.2658 0.2794 -0.0260 0.0646 -0.0575 386 ALA A O 2561 C CB . ALA A 324 ? 0.3984 0.3344 0.3320 0.0192 0.1088 -0.0109 386 ALA A CB 2562 N N . HIS A 325 ? 0.3492 0.2770 0.3066 -0.0050 0.0743 -0.0446 387 HIS A N 2563 C CA . HIS A 325 ? 0.3233 0.2730 0.3214 -0.0303 0.0482 -0.0544 387 HIS A CA 2564 C C . HIS A 325 ? 0.3550 0.2839 0.2582 -0.0151 0.0413 -0.0382 387 HIS A C 2565 O O . HIS A 325 ? 0.3315 0.3061 0.2780 -0.0092 0.0465 -0.0441 387 HIS A O 2566 C CB . HIS A 325 ? 0.3407 0.2881 0.2934 -0.0607 0.0539 -0.0395 387 HIS A CB 2567 C CG . HIS A 325 ? 0.3419 0.2870 0.3258 -0.0599 0.0472 -0.0434 387 HIS A CG 2568 N ND1 . HIS A 325 ? 0.3341 0.3023 0.2959 -0.0116 0.0896 -0.0435 387 HIS A ND1 2569 C CD2 . HIS A 325 ? 0.3350 0.3008 0.2712 -0.0523 0.0454 -0.0210 387 HIS A CD2 2570 C CE1 . HIS A 325 ? 0.3641 0.2980 0.3004 -0.0590 0.0527 -0.0058 387 HIS A CE1 2571 N NE2 . HIS A 325 ? 0.3428 0.2651 0.2744 -0.0024 0.1296 0.0013 387 HIS A NE2 2572 N N . GLN A 326 ? 0.3481 0.2768 0.2778 -0.0298 0.0358 -0.0629 388 GLN A N 2573 C CA . GLN A 326 ? 0.3720 0.2752 0.3001 -0.0294 0.0364 -0.0485 388 GLN A CA 2574 C C . GLN A 326 ? 0.3678 0.2865 0.3219 -0.0478 0.0470 -0.0415 388 GLN A C 2575 O O . GLN A 326 ? 0.3763 0.3346 0.2603 0.0153 0.0544 -0.0484 388 GLN A O 2576 C CB . GLN A 326 ? 0.3469 0.2814 0.3116 -0.0109 0.0467 -0.0440 388 GLN A CB 2577 C CG . GLN A 326 ? 0.3861 0.2530 0.3198 -0.0057 0.0325 -0.0439 388 GLN A CG 2578 C CD . GLN A 326 ? 0.3795 0.2938 0.3455 -0.0100 0.0396 -0.0652 388 GLN A CD 2579 O OE1 . GLN A 326 ? 0.3670 0.2951 0.3556 -0.0451 0.0432 -0.0371 388 GLN A OE1 2580 N NE2 . GLN A 326 ? 0.3469 0.2549 0.2943 -0.0324 0.0667 -0.0101 388 GLN A NE2 2581 N N . TRP A 327 ? 0.3931 0.3138 0.3006 -0.0445 0.0669 -0.0591 389 TRP A N 2582 C CA . TRP A 327 ? 0.3662 0.2935 0.3107 -0.0162 0.0170 -0.0591 389 TRP A CA 2583 C C . TRP A 327 ? 0.3749 0.3185 0.2877 -0.0339 0.0191 -0.0545 389 TRP A C 2584 O O . TRP A 327 ? 0.3524 0.3032 0.2451 -0.0496 0.0494 -0.0639 389 TRP A O 2585 C CB . TRP A 327 ? 0.3589 0.3026 0.3077 -0.0218 0.0191 -0.0728 389 TRP A CB 2586 C CG . TRP A 327 ? 0.3949 0.3094 0.3302 -0.0244 0.0331 -0.0870 389 TRP A CG 2587 C CD1 . TRP A 327 ? 0.3786 0.3053 0.3089 -0.0416 0.0429 -0.0563 389 TRP A CD1 2588 C CD2 . TRP A 327 ? 0.3733 0.2940 0.3009 -0.0291 0.0534 -0.1016 389 TRP A CD2 2589 N NE1 . TRP A 327 ? 0.4270 0.3095 0.3316 -0.0211 0.0468 -0.0736 389 TRP A NE1 2590 C CE2 . TRP A 327 ? 0.3850 0.3147 0.3628 -0.0497 0.0351 -0.0664 389 TRP A CE2 2591 C CE3 . TRP A 327 ? 0.3585 0.3053 0.3647 -0.0101 0.0365 -0.0697 389 TRP A CE3 2592 C CZ2 . TRP A 327 ? 0.3936 0.3008 0.3470 -0.0306 0.0604 -0.0633 389 TRP A CZ2 2593 C CZ3 . TRP A 327 ? 0.3942 0.3078 0.3664 -0.0490 0.0277 -0.0857 389 TRP A CZ3 2594 C CH2 . TRP A 327 ? 0.3366 0.2967 0.3822 -0.0378 0.0564 -0.0609 389 TRP A CH2 2595 N N . PHE A 328 ? 0.3694 0.3275 0.2918 -0.0035 0.0942 -0.0751 390 PHE A N 2596 C CA . PHE A 328 ? 0.3327 0.3194 0.3125 -0.0092 0.0621 -0.0594 390 PHE A CA 2597 C C . PHE A 328 ? 0.3339 0.3054 0.2791 -0.0184 0.0833 -0.0385 390 PHE A C 2598 O O . PHE A 328 ? 0.3377 0.3275 0.2873 -0.0302 0.0460 -0.0680 390 PHE A O 2599 C CB . PHE A 328 ? 0.3940 0.3205 0.2652 -0.0001 0.1003 -0.0778 390 PHE A CB 2600 C CG . PHE A 328 ? 0.3740 0.3366 0.2736 -0.0360 0.0658 -0.0645 390 PHE A CG 2601 C CD1 . PHE A 328 ? 0.3905 0.3159 0.2708 -0.0457 0.0843 -0.0677 390 PHE A CD1 2602 C CD2 . PHE A 328 ? 0.3619 0.3038 0.2880 -0.0373 0.0533 -0.0939 390 PHE A CD2 2603 C CE1 . PHE A 328 ? 0.4251 0.3330 0.2810 -0.0333 0.0634 -0.0361 390 PHE A CE1 2604 C CE2 . PHE A 328 ? 0.4134 0.3477 0.2782 -0.0544 0.0520 -0.0683 390 PHE A CE2 2605 C CZ . PHE A 328 ? 0.4058 0.3626 0.2748 -0.0707 0.0823 -0.0917 390 PHE A CZ 2606 N N . GLY A 329 ? 0.3310 0.2836 0.2786 -0.0562 0.0858 -0.0383 391 GLY A N 2607 C CA . GLY A 329 ? 0.3540 0.3099 0.2489 -0.0321 0.0548 -0.0409 391 GLY A CA 2608 C C . GLY A 329 ? 0.3778 0.2839 0.2340 -0.0134 0.0472 -0.0229 391 GLY A C 2609 O O . GLY A 329 ? 0.3680 0.2808 0.2520 -0.0262 0.0716 -0.0303 391 GLY A O 2610 N N . ASN A 330 ? 0.3401 0.2851 0.2588 -0.0252 0.0422 -0.0515 392 ASN A N 2611 C CA . ASN A 330 ? 0.3621 0.3150 0.2487 -0.0178 0.0315 -0.0553 392 ASN A CA 2612 C C . ASN A 330 ? 0.3441 0.3119 0.2756 -0.0133 0.0406 -0.0509 392 ASN A C 2613 O O . ASN A 330 ? 0.3688 0.2610 0.2231 -0.0138 0.0672 -0.0374 392 ASN A O 2614 C CB . ASN A 330 ? 0.3493 0.2851 0.2495 0.0000 0.0466 -0.0645 392 ASN A CB 2615 C CG . ASN A 330 ? 0.3468 0.2475 0.2726 -0.0058 0.0447 -0.0486 392 ASN A CG 2616 O OD1 . ASN A 330 ? 0.3570 0.2695 0.2753 -0.0272 0.0395 -0.0300 392 ASN A OD1 2617 N ND2 . ASN A 330 ? 0.3708 0.2566 0.2700 -0.0164 0.0428 -0.0379 392 ASN A ND2 2618 N N . LEU A 331 ? 0.3517 0.2852 0.2596 -0.0275 0.0516 -0.0428 393 LEU A N 2619 C CA . LEU A 331 ? 0.3588 0.2978 0.2458 -0.0525 0.0547 -0.0665 393 LEU A CA 2620 C C . LEU A 331 ? 0.3890 0.3100 0.3011 0.0031 0.0605 -0.0499 393 LEU A C 2621 O O . LEU A 331 ? 0.3728 0.3164 0.2378 -0.0230 0.0405 -0.0400 393 LEU A O 2622 C CB . LEU A 331 ? 0.3329 0.2766 0.2837 -0.0177 0.0475 -0.0469 393 LEU A CB 2623 C CG . LEU A 331 ? 0.3829 0.3208 0.3036 -0.0098 0.0485 -0.0932 393 LEU A CG 2624 C CD1 . LEU A 331 ? 0.3243 0.3518 0.2887 -0.0676 -0.0014 -0.0344 393 LEU A CD1 2625 C CD2 . LEU A 331 ? 0.3692 0.3322 0.2936 -0.0409 0.0192 -0.1273 393 LEU A CD2 2626 N N . VAL A 332 ? 0.3802 0.2970 0.2943 -0.0233 0.0793 -0.0374 394 VAL A N 2627 C CA . VAL A 332 ? 0.3603 0.3023 0.2693 -0.0244 0.0862 -0.0428 394 VAL A CA 2628 C C . VAL A 332 ? 0.3733 0.3181 0.2068 -0.0192 0.0647 -0.0306 394 VAL A C 2629 O O . VAL A 332 ? 0.3620 0.3190 0.2422 0.0098 0.0858 -0.0402 394 VAL A O 2630 C CB . VAL A 332 ? 0.4179 0.3134 0.2355 -0.0225 0.0392 -0.0607 394 VAL A CB 2631 C CG1 . VAL A 332 ? 0.3578 0.3547 0.2243 -0.0218 0.0370 -0.0090 394 VAL A CG1 2632 C CG2 . VAL A 332 ? 0.3423 0.3173 0.2314 -0.0052 0.0722 -0.0663 394 VAL A CG2 2633 N N . THR A 333 ? 0.3489 0.3036 0.2410 -0.0424 0.0948 -0.0303 395 THR A N 2634 C CA . THR A 333 ? 0.3607 0.2989 0.2546 -0.0147 0.0793 -0.0443 395 THR A CA 2635 C C . THR A 333 ? 0.3641 0.2773 0.1938 -0.0006 0.1051 -0.0760 395 THR A C 2636 O O . THR A 333 ? 0.3701 0.3226 0.2376 -0.0159 0.1174 -0.0230 395 THR A O 2637 C CB . THR A 333 ? 0.3957 0.3052 0.2342 -0.0428 0.0963 -0.0349 395 THR A CB 2638 O OG1 . THR A 333 ? 0.3964 0.3054 0.2609 -0.0381 0.0999 -0.0155 395 THR A OG1 2639 C CG2 . THR A 333 ? 0.3711 0.3006 0.2569 -0.0692 0.0846 -0.0160 395 THR A CG2 2640 N N . LEU A 334 ? 0.3851 0.2888 0.2303 -0.0276 0.0611 -0.0553 396 LEU A N 2641 C CA . LEU A 334 ? 0.3866 0.2793 0.2781 -0.0360 0.0666 -0.0283 396 LEU A CA 2642 C C . LEU A 334 ? 0.4080 0.3051 0.2551 -0.0325 0.0909 -0.0282 396 LEU A C 2643 O O . LEU A 334 ? 0.3697 0.2915 0.2453 -0.0353 0.0761 -0.0161 396 LEU A O 2644 C CB . LEU A 334 ? 0.3982 0.2982 0.2529 -0.0128 0.0481 -0.0303 396 LEU A CB 2645 C CG . LEU A 334 ? 0.3943 0.3455 0.3111 -0.0277 0.0978 -0.0412 396 LEU A CG 2646 C CD1 . LEU A 334 ? 0.3634 0.3678 0.3132 -0.0166 0.0786 -0.0213 396 LEU A CD1 2647 C CD2 . LEU A 334 ? 0.4325 0.3623 0.2500 -0.0546 0.0873 -0.0747 396 LEU A CD2 2648 N N . ALA A 335 ? 0.3790 0.2943 0.2660 -0.0254 0.0759 -0.0160 397 ALA A N 2649 C CA . ALA A 335 ? 0.3809 0.3029 0.2448 -0.0303 0.0993 -0.0335 397 ALA A CA 2650 C C . ALA A 335 ? 0.3978 0.3030 0.2824 -0.0347 0.0771 -0.0502 397 ALA A C 2651 O O . ALA A 335 ? 0.3975 0.3126 0.2760 -0.0442 0.1302 -0.0253 397 ALA A O 2652 C CB . ALA A 335 ? 0.4035 0.2995 0.2504 -0.0511 0.0820 -0.0332 397 ALA A CB 2653 N N . TRP A 336 ? 0.3725 0.2802 0.2896 -0.0140 0.1256 -0.0363 398 TRP A N 2654 C CA . TRP A 336 ? 0.3875 0.2953 0.2694 -0.0193 0.0912 -0.0164 398 TRP A CA 2655 C C . TRP A 336 ? 0.3683 0.3043 0.2932 -0.0338 0.1066 -0.0320 398 TRP A C 2656 O O . TRP A 336 ? 0.3961 0.3074 0.2531 -0.0320 0.0710 -0.0607 398 TRP A O 2657 C CB . TRP A 336 ? 0.3430 0.2955 0.3045 -0.0546 0.0874 -0.0098 398 TRP A CB 2658 C CG . TRP A 336 ? 0.4331 0.2882 0.2472 -0.0757 0.1084 0.0095 398 TRP A CG 2659 C CD1 . TRP A 336 ? 0.3626 0.3244 0.2771 -0.0307 0.0883 -0.0401 398 TRP A CD1 2660 C CD2 . TRP A 336 ? 0.3932 0.2517 0.2921 -0.0566 0.1133 -0.0004 398 TRP A CD2 2661 N NE1 . TRP A 336 ? 0.4037 0.3456 0.2743 -0.0528 0.1111 -0.0482 398 TRP A NE1 2662 C CE2 . TRP A 336 ? 0.4278 0.3089 0.2584 -0.0633 0.1004 -0.0351 398 TRP A CE2 2663 C CE3 . TRP A 336 ? 0.4028 0.2573 0.2375 -0.0429 0.1164 0.0014 398 TRP A CE3 2664 C CZ2 . TRP A 336 ? 0.4241 0.2937 0.2673 -0.0394 0.1179 -0.0204 398 TRP A CZ2 2665 C CZ3 . TRP A 336 ? 0.4646 0.2882 0.2807 -0.0575 0.1187 -0.0311 398 TRP A CZ3 2666 C CH2 . TRP A 336 ? 0.4298 0.2747 0.2982 -0.0518 0.0883 0.0050 398 TRP A CH2 2667 N N . TRP A 337 ? 0.3587 0.2974 0.2845 -0.0707 0.0989 -0.0193 399 TRP A N 2668 C CA . TRP A 337 ? 0.3832 0.3071 0.2996 -0.0357 0.1073 -0.0334 399 TRP A CA 2669 C C . TRP A 337 ? 0.4101 0.3123 0.2907 -0.0582 0.1358 -0.0319 399 TRP A C 2670 O O . TRP A 337 ? 0.3709 0.3083 0.2814 -0.0835 0.1244 -0.0031 399 TRP A O 2671 C CB . TRP A 337 ? 0.3750 0.2413 0.2999 -0.0644 0.0962 -0.0397 399 TRP A CB 2672 C CG . TRP A 337 ? 0.3740 0.2671 0.2809 -0.0626 0.0827 -0.0477 399 TRP A CG 2673 C CD1 . TRP A 337 ? 0.4125 0.2684 0.2847 -0.0518 0.0818 -0.0060 399 TRP A CD1 2674 C CD2 . TRP A 337 ? 0.3676 0.2697 0.2837 -0.0488 0.0824 -0.0459 399 TRP A CD2 2675 N NE1 . TRP A 337 ? 0.3841 0.2886 0.2811 -0.0490 0.0873 -0.0685 399 TRP A NE1 2676 C CE2 . TRP A 337 ? 0.3793 0.2783 0.2704 -0.0567 0.0729 -0.0407 399 TRP A CE2 2677 C CE3 . TRP A 337 ? 0.3541 0.2662 0.2703 -0.0331 0.1209 -0.0485 399 TRP A CE3 2678 C CZ2 . TRP A 337 ? 0.3611 0.2673 0.2484 -0.0552 0.0625 -0.0688 399 TRP A CZ2 2679 C CZ3 . TRP A 337 ? 0.3569 0.2586 0.2747 -0.0454 0.0907 -0.0547 399 TRP A CZ3 2680 C CH2 . TRP A 337 ? 0.3698 0.2854 0.3320 -0.0480 0.1032 -0.0325 399 TRP A CH2 2681 N N . ASN A 338 ? 0.4196 0.3009 0.2892 -0.0693 0.1071 -0.0395 400 ASN A N 2682 C CA . ASN A 338 ? 0.4000 0.3144 0.2865 -0.1074 0.0996 -0.0325 400 ASN A CA 2683 C C . ASN A 338 ? 0.4004 0.3134 0.3245 -0.0497 0.1078 -0.0129 400 ASN A C 2684 O O . ASN A 338 ? 0.4343 0.3927 0.3129 -0.0166 0.0958 -0.0579 400 ASN A O 2685 C CB . ASN A 338 ? 0.3913 0.3486 0.2987 -0.0592 0.1291 0.0004 400 ASN A CB 2686 C CG . ASN A 338 ? 0.4016 0.3431 0.3292 -0.0472 0.1112 0.0164 400 ASN A CG 2687 O OD1 . ASN A 338 ? 0.4179 0.3339 0.2725 -0.0850 0.1117 0.0143 400 ASN A OD1 2688 N ND2 . ASN A 338 ? 0.4090 0.3670 0.2923 -0.0166 0.1006 -0.0495 400 ASN A ND2 2689 N N . ASP A 339 ? 0.3841 0.3152 0.2325 -0.0472 0.0970 -0.0116 401 ASP A N 2690 C CA . ASP A 339 ? 0.3722 0.3276 0.2906 -0.0582 0.0887 -0.0303 401 ASP A CA 2691 C C . ASP A 339 ? 0.3562 0.3285 0.3113 -0.0295 0.0473 -0.0376 401 ASP A C 2692 O O . ASP A 339 ? 0.3987 0.3499 0.2992 -0.0358 0.0325 -0.0527 401 ASP A O 2693 C CB . ASP A 339 ? 0.3897 0.3481 0.3077 -0.0695 0.0800 -0.0191 401 ASP A CB 2694 C CG . ASP A 339 ? 0.3941 0.4523 0.3043 -0.0534 0.0958 -0.0183 401 ASP A CG 2695 O OD1 . ASP A 339 ? 0.4650 0.4343 0.3585 -0.1410 0.0771 0.0110 401 ASP A OD1 2696 O OD2 . ASP A 339 ? 0.4000 0.3831 0.2599 0.0055 0.1070 -0.0032 401 ASP A OD2 2697 N N . LEU A 340 ? 0.3334 0.2984 0.2920 -0.0126 0.0726 -0.0684 402 LEU A N 2698 C CA . LEU A 340 ? 0.2986 0.3221 0.2778 -0.0627 0.0605 -0.0408 402 LEU A CA 2699 C C . LEU A 340 ? 0.3554 0.3237 0.2320 -0.0477 0.0399 -0.0510 402 LEU A C 2700 O O . LEU A 340 ? 0.3465 0.3453 0.2706 -0.0721 0.0993 -0.0505 402 LEU A O 2701 C CB . LEU A 340 ? 0.3433 0.3066 0.2592 -0.0566 0.0996 -0.0467 402 LEU A CB 2702 C CG . LEU A 340 ? 0.4000 0.3543 0.3162 -0.1052 0.0556 -0.0103 402 LEU A CG 2703 C CD1 . LEU A 340 ? 0.3783 0.3266 0.3060 -0.0475 0.1042 -0.0269 402 LEU A CD1 2704 C CD2 . LEU A 340 ? 0.4449 0.3828 0.4096 -0.2016 -0.0008 0.0661 402 LEU A CD2 2705 N N . TRP A 341 ? 0.3801 0.3398 0.3267 -0.0557 0.0904 -0.0365 403 TRP A N 2706 C CA . TRP A 341 ? 0.3349 0.3451 0.3330 -0.0438 0.0788 -0.0423 403 TRP A CA 2707 C C . TRP A 341 ? 0.3493 0.3673 0.2888 -0.0405 0.1082 -0.0397 403 TRP A C 2708 O O . TRP A 341 ? 0.3655 0.3547 0.3204 -0.0216 0.0979 -0.0610 403 TRP A O 2709 C CB . TRP A 341 ? 0.3507 0.3392 0.3234 -0.0648 0.0709 -0.0414 403 TRP A CB 2710 C CG . TRP A 341 ? 0.3664 0.3790 0.3224 -0.0440 0.0645 -0.0570 403 TRP A CG 2711 C CD1 . TRP A 341 ? 0.4401 0.4041 0.3279 -0.0500 0.0660 -0.0106 403 TRP A CD1 2712 C CD2 . TRP A 341 ? 0.3377 0.3850 0.3176 -0.0391 0.0998 -0.0582 403 TRP A CD2 2713 N NE1 . TRP A 341 ? 0.3674 0.3876 0.3212 -0.0593 0.0463 -0.0348 403 TRP A NE1 2714 C CE2 . TRP A 341 ? 0.3552 0.4102 0.3335 -0.0794 0.0955 -0.0438 403 TRP A CE2 2715 C CE3 . TRP A 341 ? 0.3592 0.4207 0.3537 -0.0379 0.0748 -0.0951 403 TRP A CE3 2716 C CZ2 . TRP A 341 ? 0.4059 0.4137 0.3209 -0.0494 0.1216 -0.0202 403 TRP A CZ2 2717 C CZ3 . TRP A 341 ? 0.3880 0.4948 0.3331 -0.0248 0.0693 -0.0697 403 TRP A CZ3 2718 C CH2 . TRP A 341 ? 0.4425 0.3847 0.3801 -0.0741 0.0921 -0.0556 403 TRP A CH2 2719 N N . LEU A 342 ? 0.3301 0.3436 0.2995 -0.0487 0.1238 -0.0309 404 LEU A N 2720 C CA . LEU A 342 ? 0.3613 0.3566 0.3100 -0.0194 0.1044 -0.0532 404 LEU A CA 2721 C C . LEU A 342 ? 0.3285 0.3432 0.3333 -0.0074 0.0932 -0.0557 404 LEU A C 2722 O O . LEU A 342 ? 0.3595 0.3551 0.3343 -0.0405 0.0789 -0.0848 404 LEU A O 2723 C CB . LEU A 342 ? 0.3780 0.3350 0.3023 -0.0291 0.1067 -0.0313 404 LEU A CB 2724 C CG . LEU A 342 ? 0.3497 0.4038 0.3403 0.0014 0.0709 -0.0599 404 LEU A CG 2725 C CD1 . LEU A 342 ? 0.4171 0.4707 0.3250 0.0238 0.0676 -0.1351 404 LEU A CD1 2726 C CD2 . LEU A 342 ? 0.3907 0.3741 0.3327 -0.0185 0.0607 -0.0356 404 LEU A CD2 2727 N N . ASN A 343 ? 0.3576 0.3399 0.2766 -0.0174 0.0903 -0.0523 405 ASN A N 2728 C CA . ASN A 343 ? 0.3634 0.2889 0.3439 -0.0294 0.0936 -0.0596 405 ASN A CA 2729 C C . ASN A 343 ? 0.3452 0.3210 0.2966 -0.0428 0.1121 -0.0259 405 ASN A C 2730 O O . ASN A 343 ? 0.3672 0.3232 0.3074 -0.0400 0.0934 -0.0736 405 ASN A O 2731 C CB . ASN A 343 ? 0.3399 0.3165 0.2889 -0.0583 0.0919 -0.0493 405 ASN A CB 2732 C CG . ASN A 343 ? 0.3421 0.3054 0.3075 -0.0260 0.0891 -0.0474 405 ASN A CG 2733 O OD1 . ASN A 343 ? 0.3344 0.3047 0.2904 -0.0476 0.1319 -0.0610 405 ASN A OD1 2734 N ND2 . ASN A 343 ? 0.3525 0.2778 0.2712 -0.0296 0.0659 -0.0267 405 ASN A ND2 2735 N N . GLU A 344 ? 0.3443 0.2995 0.3017 -0.0374 0.1133 -0.0667 406 GLU A N 2736 C CA . GLU A 344 ? 0.3166 0.3157 0.3161 -0.0618 0.0936 -0.0390 406 GLU A CA 2737 C C . GLU A 344 ? 0.3159 0.3325 0.3194 -0.0441 0.0624 -0.0743 406 GLU A C 2738 O O . GLU A 344 ? 0.3135 0.3144 0.3439 -0.0330 0.0938 -0.0549 406 GLU A O 2739 C CB . GLU A 344 ? 0.3470 0.2839 0.3081 -0.0612 0.0940 -0.0339 406 GLU A CB 2740 C CG . GLU A 344 ? 0.3494 0.2509 0.3192 -0.0321 0.0671 -0.0331 406 GLU A CG 2741 C CD . GLU A 344 ? 0.3427 0.3149 0.3361 -0.0595 0.0551 -0.0413 406 GLU A CD 2742 O OE1 . GLU A 344 ? 0.3992 0.3274 0.3404 -0.0342 0.0613 -0.0436 406 GLU A OE1 2743 O OE2 . GLU A 344 ? 0.3922 0.3055 0.3695 -0.0246 0.0022 -0.0185 406 GLU A OE2 2744 N N . GLY A 345 ? 0.3318 0.3066 0.3043 -0.0760 0.0708 -0.0828 407 GLY A N 2745 C CA . GLY A 345 ? 0.3637 0.2978 0.3355 0.0015 0.0522 -0.0813 407 GLY A CA 2746 C C . GLY A 345 ? 0.3330 0.3475 0.2894 -0.0430 0.0943 -0.0738 407 GLY A C 2747 O O . GLY A 345 ? 0.3323 0.3571 0.3288 -0.0227 0.0845 -0.0576 407 GLY A O 2748 N N . PHE A 346 ? 0.3489 0.3158 0.2725 -0.0284 0.1000 -0.0486 408 PHE A N 2749 C CA . PHE A 346 ? 0.3310 0.3372 0.3146 -0.0524 0.0965 -0.0619 408 PHE A CA 2750 C C . PHE A 346 ? 0.3415 0.3368 0.3361 -0.0238 0.0563 -0.0542 408 PHE A C 2751 O O . PHE A 346 ? 0.3544 0.3525 0.2914 -0.0117 0.1089 -0.0968 408 PHE A O 2752 C CB . PHE A 346 ? 0.3365 0.3187 0.2520 -0.0488 0.1059 -0.0577 408 PHE A CB 2753 C CG . PHE A 346 ? 0.4119 0.3610 0.3445 -0.0647 0.0911 -0.1011 408 PHE A CG 2754 C CD1 . PHE A 346 ? 0.3911 0.3659 0.3310 -0.0532 0.0649 -0.0738 408 PHE A CD1 2755 C CD2 . PHE A 346 ? 0.4016 0.3509 0.3156 -0.0477 0.0640 -0.0611 408 PHE A CD2 2756 C CE1 . PHE A 346 ? 0.4441 0.3385 0.3352 -0.0361 0.0420 -0.0343 408 PHE A CE1 2757 C CE2 . PHE A 346 ? 0.3782 0.4128 0.3430 -0.0587 0.1031 -0.0957 408 PHE A CE2 2758 C CZ . PHE A 346 ? 0.4027 0.3669 0.3587 -0.0297 0.0703 -0.0835 408 PHE A CZ 2759 N N . ALA A 347 ? 0.3441 0.3554 0.3589 -0.0363 0.0686 -0.0492 409 ALA A N 2760 C CA . ALA A 347 ? 0.3619 0.3523 0.3441 -0.0214 0.0665 -0.0432 409 ALA A CA 2761 C C . ALA A 347 ? 0.3623 0.3384 0.2941 0.0068 0.0707 -0.0723 409 ALA A C 2762 O O . ALA A 347 ? 0.3732 0.3023 0.3334 -0.0338 0.0762 -0.0776 409 ALA A O 2763 C CB . ALA A 347 ? 0.2975 0.3273 0.3621 -0.0132 0.0998 0.0059 409 ALA A CB 2764 N N . SER A 348 ? 0.3451 0.3405 0.2902 -0.0107 0.0900 -0.0367 410 SER A N 2765 C CA . SER A 348 ? 0.3453 0.3350 0.3487 0.0053 0.0831 -0.0406 410 SER A CA 2766 C C . SER A 348 ? 0.3426 0.3497 0.3760 0.0045 0.0706 -0.0629 410 SER A C 2767 O O . SER A 348 ? 0.3537 0.3426 0.3787 0.0157 0.0995 -0.0596 410 SER A O 2768 C CB . SER A 348 ? 0.3173 0.3207 0.3605 0.0158 0.0558 -0.0472 410 SER A CB 2769 O OG . SER A 348 ? 0.3274 0.3594 0.3362 -0.0421 0.0649 -0.0515 410 SER A OG 2770 N N . TYR A 349 ? 0.3405 0.3419 0.3563 -0.0393 0.0894 -0.0679 411 TYR A N 2771 C CA . TYR A 349 ? 0.3280 0.3933 0.3956 -0.0135 0.1092 -0.0881 411 TYR A CA 2772 C C . TYR A 349 ? 0.3894 0.3481 0.4017 0.0127 0.0892 -0.0740 411 TYR A C 2773 O O . TYR A 349 ? 0.3741 0.3738 0.4119 0.0412 0.0982 -0.0826 411 TYR A O 2774 C CB . TYR A 349 ? 0.3612 0.3945 0.3817 -0.0222 0.1193 -0.0931 411 TYR A CB 2775 C CG . TYR A 349 ? 0.3613 0.4053 0.4226 -0.0676 0.0648 -0.1040 411 TYR A CG 2776 C CD1 . TYR A 349 ? 0.4329 0.4321 0.4573 -0.0498 0.0903 -0.1375 411 TYR A CD1 2777 C CD2 . TYR A 349 ? 0.4373 0.3748 0.3811 -0.0383 0.0539 -0.0421 411 TYR A CD2 2778 C CE1 . TYR A 349 ? 0.4147 0.4441 0.5003 -0.0097 0.0727 -0.1629 411 TYR A CE1 2779 C CE2 . TYR A 349 ? 0.4777 0.4115 0.3676 0.0469 0.0945 -0.0633 411 TYR A CE2 2780 C CZ . TYR A 349 ? 0.4847 0.4212 0.4553 0.0467 0.0603 -0.1431 411 TYR A CZ 2781 O OH . TYR A 349 ? 0.5173 0.5056 0.4481 -0.0199 0.1526 -0.1727 411 TYR A OH 2782 N N . VAL A 350 ? 0.3920 0.3299 0.3295 0.0013 0.0654 -0.0866 412 VAL A N 2783 C CA . VAL A 350 ? 0.3207 0.3394 0.3736 0.0162 0.0979 -0.0818 412 VAL A CA 2784 C C . VAL A 350 ? 0.3226 0.3334 0.3908 0.0543 0.0674 -0.0736 412 VAL A C 2785 O O . VAL A 350 ? 0.3475 0.3616 0.3740 0.0254 0.0373 -0.0744 412 VAL A O 2786 C CB . VAL A 350 ? 0.3625 0.3288 0.4166 0.0361 0.0891 -0.0710 412 VAL A CB 2787 C CG1 . VAL A 350 ? 0.4217 0.4252 0.3682 0.0142 0.0342 -0.1055 412 VAL A CG1 2788 C CG2 . VAL A 350 ? 0.3319 0.3117 0.3022 -0.0372 0.0470 -0.1238 412 VAL A CG2 2789 N N . GLU A 351 ? 0.3833 0.3290 0.3912 0.0471 0.0615 -0.0833 413 GLU A N 2790 C CA . GLU A 351 ? 0.3865 0.3100 0.3921 0.0087 0.0789 -0.0508 413 GLU A CA 2791 C C . GLU A 351 ? 0.3851 0.3263 0.3953 0.0293 0.0549 -0.0729 413 GLU A C 2792 O O . GLU A 351 ? 0.3474 0.2901 0.4314 0.0557 0.0984 -0.0554 413 GLU A O 2793 C CB . GLU A 351 ? 0.3940 0.3072 0.3894 0.0191 0.0626 -0.0589 413 GLU A CB 2794 C CG . GLU A 351 ? 0.3863 0.3240 0.4087 0.0345 0.0016 -0.0146 413 GLU A CG 2795 C CD . GLU A 351 ? 0.4077 0.3148 0.4174 0.0227 0.0374 -0.0324 413 GLU A CD 2796 O OE1 . GLU A 351 ? 0.4458 0.3989 0.3894 0.0464 0.0160 -0.0833 413 GLU A OE1 2797 O OE2 . GLU A 351 ? 0.3504 0.3387 0.3879 0.0277 0.0787 -0.0680 413 GLU A OE2 2798 N N . TYR A 352 ? 0.3949 0.3355 0.4288 0.0239 0.0834 -0.0625 414 TYR A N 2799 C CA . TYR A 352 ? 0.3925 0.3535 0.4677 0.0279 0.0936 -0.1134 414 TYR A CA 2800 C C . TYR A 352 ? 0.3850 0.3499 0.4351 0.0262 0.0681 -0.0876 414 TYR A C 2801 O O . TYR A 352 ? 0.3934 0.3306 0.4396 0.0009 0.0197 -0.0720 414 TYR A O 2802 C CB . TYR A 352 ? 0.4391 0.3514 0.4406 -0.0311 0.0811 -0.0538 414 TYR A CB 2803 C CG . TYR A 352 ? 0.4056 0.3688 0.4489 -0.0021 0.0649 -0.0661 414 TYR A CG 2804 C CD1 . TYR A 352 ? 0.4200 0.3594 0.4493 0.0171 0.0666 -0.1202 414 TYR A CD1 2805 C CD2 . TYR A 352 ? 0.3636 0.3860 0.4196 0.0282 0.0880 -0.1260 414 TYR A CD2 2806 C CE1 . TYR A 352 ? 0.4198 0.3752 0.4995 -0.0124 0.0768 -0.1249 414 TYR A CE1 2807 C CE2 . TYR A 352 ? 0.3697 0.3819 0.4099 0.0059 0.0726 -0.1012 414 TYR A CE2 2808 C CZ . TYR A 352 ? 0.4211 0.3623 0.4867 -0.0189 0.0258 -0.0370 414 TYR A CZ 2809 O OH . TYR A 352 ? 0.4445 0.3935 0.4487 -0.0036 0.0256 -0.0626 414 TYR A OH 2810 N N . LEU A 353 ? 0.3965 0.3422 0.4668 0.0092 0.0388 -0.0657 415 LEU A N 2811 C CA . LEU A 353 ? 0.4470 0.3579 0.4119 0.0217 0.0767 -0.1027 415 LEU A CA 2812 C C . LEU A 353 ? 0.4603 0.3466 0.4476 0.0329 0.0781 -0.0873 415 LEU A C 2813 O O . LEU A 353 ? 0.4514 0.3397 0.4735 0.0519 0.0825 -0.1168 415 LEU A O 2814 C CB . LEU A 353 ? 0.4518 0.3737 0.4443 0.0255 0.0709 -0.0802 415 LEU A CB 2815 C CG . LEU A 353 ? 0.4976 0.4667 0.4687 0.0329 0.0616 -0.0315 415 LEU A CG 2816 C CD1 . LEU A 353 ? 0.5085 0.4574 0.3843 0.0435 0.0845 -0.0857 415 LEU A CD1 2817 C CD2 . LEU A 353 ? 0.5586 0.5100 0.4962 0.0946 0.1552 0.0106 415 LEU A CD2 2818 N N . GLY A 354 ? 0.4153 0.3272 0.3892 0.0362 0.0555 -0.0653 416 GLY A N 2819 C CA . GLY A 354 ? 0.3739 0.3182 0.4620 0.0279 0.0706 -0.0698 416 GLY A CA 2820 C C . GLY A 354 ? 0.4049 0.3090 0.4084 0.0400 0.1041 -0.0886 416 GLY A C 2821 O O . GLY A 354 ? 0.4340 0.2803 0.4239 0.0355 0.0481 -0.0805 416 GLY A O 2822 N N . ALA A 355 ? 0.4272 0.3249 0.4203 0.0322 0.0825 -0.0642 417 ALA A N 2823 C CA . ALA A 355 ? 0.4196 0.3459 0.4718 0.0530 0.0563 -0.0759 417 ALA A CA 2824 C C . ALA A 355 ? 0.4824 0.3306 0.4816 0.0383 0.0731 -0.0904 417 ALA A C 2825 O O . ALA A 355 ? 0.4469 0.2932 0.5062 -0.0043 0.0271 -0.1005 417 ALA A O 2826 C CB . ALA A 355 ? 0.4466 0.3616 0.4783 -0.0093 0.0541 -0.0845 417 ALA A CB 2827 N N . ASP A 356 ? 0.4115 0.3252 0.4695 0.0090 0.0596 -0.1002 418 ASP A N 2828 C CA . ASP A 356 ? 0.4365 0.3382 0.4811 0.0049 0.0616 -0.1347 418 ASP A CA 2829 C C . ASP A 356 ? 0.4666 0.3114 0.4818 0.0220 0.0908 -0.1299 418 ASP A C 2830 O O . ASP A 356 ? 0.3995 0.3306 0.5394 0.0115 0.0392 -0.1139 418 ASP A O 2831 C CB . ASP A 356 ? 0.4437 0.3720 0.4600 -0.0055 0.0821 -0.1457 418 ASP A CB 2832 C CG . ASP A 356 ? 0.4738 0.3561 0.5127 0.0447 0.0785 -0.1344 418 ASP A CG 2833 O OD1 . ASP A 356 ? 0.4810 0.3511 0.5143 0.0619 0.0838 -0.1995 418 ASP A OD1 2834 O OD2 . ASP A 356 ? 0.5313 0.3962 0.4579 0.0497 0.1203 -0.1733 418 ASP A OD2 2835 N N . HIS A 357 ? 0.4665 0.3901 0.4340 -0.0043 0.0518 -0.1369 419 HIS A N 2836 C CA . HIS A 357 ? 0.4605 0.3435 0.4777 0.0346 0.0442 -0.0979 419 HIS A CA 2837 C C . HIS A 357 ? 0.4059 0.3366 0.5485 -0.0054 0.0874 -0.0922 419 HIS A C 2838 O O . HIS A 357 ? 0.5249 0.3218 0.5428 0.0328 0.0155 -0.1539 419 HIS A O 2839 C CB . HIS A 357 ? 0.4703 0.3074 0.4933 0.0642 0.0654 -0.1708 419 HIS A CB 2840 C CG . HIS A 357 ? 0.5577 0.3047 0.5558 -0.0044 0.0597 -0.1032 419 HIS A CG 2841 N ND1 . HIS A 357 ? 0.5838 0.3741 0.5752 -0.0390 0.0303 -0.1304 419 HIS A ND1 2842 C CD2 . HIS A 357 ? 0.4941 0.3455 0.5283 0.0453 0.0453 -0.1265 419 HIS A CD2 2843 C CE1 . HIS A 357 ? 0.5485 0.4210 0.5907 -0.0206 0.0768 -0.1003 419 HIS A CE1 2844 N NE2 . HIS A 357 ? 0.4635 0.3458 0.5845 -0.0203 0.0623 -0.0564 419 HIS A NE2 2845 N N . ALA A 358 ? 0.4112 0.3438 0.5287 -0.0335 0.0534 -0.0669 420 ALA A N 2846 C CA . ALA A 358 ? 0.4361 0.3472 0.5282 0.0427 0.0363 -0.0596 420 ALA A CA 2847 C C . ALA A 358 ? 0.5067 0.2671 0.5206 0.0580 0.0421 -0.0561 420 ALA A C 2848 O O . ALA A 358 ? 0.4524 0.2325 0.5565 0.0368 0.0332 -0.0474 420 ALA A O 2849 C CB . ALA A 358 ? 0.4034 0.3521 0.4678 0.0241 -0.0278 -0.0549 420 ALA A CB 2850 N N . GLU A 359 ? 0.4854 0.2648 0.5268 0.0370 0.0404 -0.0441 421 GLU A N 2851 C CA . GLU A 359 ? 0.4615 0.3539 0.5649 0.0588 0.0545 -0.1032 421 GLU A CA 2852 C C . GLU A 359 ? 0.4542 0.3481 0.5872 0.0896 0.0560 -0.1381 421 GLU A C 2853 O O . GLU A 359 ? 0.5242 0.2657 0.5637 0.0310 0.0669 -0.0883 421 GLU A O 2854 C CB . GLU A 359 ? 0.4856 0.4118 0.5472 0.0272 0.0419 -0.0891 421 GLU A CB 2855 C CG . GLU A 359 ? 0.4614 0.3450 0.5543 0.0079 0.0265 -0.0250 421 GLU A CG 2856 C CD . GLU A 359 ? 0.5864 0.3318 0.5746 0.0594 0.0772 -0.0411 421 GLU A CD 2857 O OE1 . GLU A 359 ? 0.4945 0.3172 0.5791 0.0505 0.0477 -0.0460 421 GLU A OE1 2858 O OE2 . GLU A 359 ? 0.5346 0.3792 0.5540 0.0146 0.0764 -0.0534 421 GLU A OE2 2859 N N . PRO A 360 ? 0.4980 0.3278 0.6248 0.0720 0.0461 -0.1309 422 PRO A N 2860 C CA . PRO A 360 ? 0.5361 0.3653 0.5936 0.0839 0.0331 -0.1420 422 PRO A CA 2861 C C . PRO A 360 ? 0.5190 0.4318 0.6155 0.0859 0.0352 -0.1406 422 PRO A C 2862 O O . PRO A 360 ? 0.5159 0.4752 0.6299 0.0546 0.0860 -0.1113 422 PRO A O 2863 C CB . PRO A 360 ? 0.5453 0.4361 0.5909 0.0403 0.0263 -0.1203 422 PRO A CB 2864 C CG . PRO A 360 ? 0.5063 0.4229 0.6420 0.0098 0.0469 -0.1526 422 PRO A CG 2865 C CD . PRO A 360 ? 0.5289 0.2655 0.6475 0.0531 0.0091 -0.1024 422 PRO A CD 2866 N N . THR A 361 ? 0.5967 0.3596 0.6527 0.0884 0.0367 -0.1131 423 THR A N 2867 C CA . THR A 361 ? 0.5266 0.3875 0.6564 0.0340 0.0644 -0.0904 423 THR A CA 2868 C C . THR A 361 ? 0.5226 0.3715 0.7007 0.0721 0.0639 -0.1250 423 THR A C 2869 O O . THR A 361 ? 0.5885 0.4190 0.7997 0.1641 0.1095 -0.1011 423 THR A O 2870 C CB . THR A 361 ? 0.6604 0.3173 0.6988 0.0413 0.0218 -0.1280 423 THR A CB 2871 O OG1 . THR A 361 ? 0.5655 0.3303 0.7084 0.0737 0.1057 -0.0923 423 THR A OG1 2872 C CG2 . THR A 361 ? 0.6342 0.3723 0.6902 0.0162 0.0505 -0.1570 423 THR A CG2 2873 N N . TRP A 362 ? 0.5041 0.3592 0.6256 0.0667 0.0626 -0.1294 424 TRP A N 2874 C CA . TRP A 362 ? 0.4752 0.3003 0.6853 0.0673 0.0804 -0.0916 424 TRP A CA 2875 C C . TRP A 362 ? 0.5045 0.4888 0.5991 0.0114 0.0890 -0.0750 424 TRP A C 2876 O O . TRP A 362 ? 0.4807 0.4852 0.6694 0.0464 0.0493 -0.0179 424 TRP A O 2877 C CB . TRP A 362 ? 0.4791 0.3032 0.6362 0.0749 0.0510 -0.0839 424 TRP A CB 2878 C CG . TRP A 362 ? 0.5003 0.3572 0.6747 0.0389 0.0505 -0.0755 424 TRP A CG 2879 C CD1 . TRP A 362 ? 0.4785 0.3466 0.7196 0.0285 0.0743 -0.0427 424 TRP A CD1 2880 C CD2 . TRP A 362 ? 0.5178 0.3427 0.6516 0.0597 0.0352 -0.0754 424 TRP A CD2 2881 N NE1 . TRP A 362 ? 0.4917 0.3604 0.6315 0.0227 -0.0234 -0.1010 424 TRP A NE1 2882 C CE2 . TRP A 362 ? 0.5506 0.3756 0.6279 0.0386 0.0488 -0.0908 424 TRP A CE2 2883 C CE3 . TRP A 362 ? 0.4654 0.3983 0.6216 0.0535 0.0494 -0.1242 424 TRP A CE3 2884 C CZ2 . TRP A 362 ? 0.5316 0.3896 0.6817 0.0124 0.0937 -0.0962 424 TRP A CZ2 2885 C CZ3 . TRP A 362 ? 0.5621 0.3892 0.5449 -0.0339 -0.0008 -0.0684 424 TRP A CZ3 2886 C CH2 . TRP A 362 ? 0.5243 0.3423 0.6267 -0.0266 0.0332 -0.0494 424 TRP A CH2 2887 N N . ASN A 363 ? 0.4238 0.4319 0.5830 0.0951 0.1034 -0.1132 425 ASN A N 2888 C CA . ASN A 363 ? 0.4929 0.4148 0.6590 0.0486 0.0046 -0.0141 425 ASN A CA 2889 C C . ASN A 363 ? 0.4616 0.5060 0.6292 0.0461 0.1105 -0.1312 425 ASN A C 2890 O O . ASN A 363 ? 0.5609 0.5203 0.6674 -0.0271 0.0113 -0.0324 425 ASN A O 2891 C CB . ASN A 363 ? 0.5866 0.4713 0.6812 0.0813 0.1089 -0.0641 425 ASN A CB 2892 C CG . ASN A 363 ? 0.7163 0.4909 0.7158 0.2193 0.0663 -0.0934 425 ASN A CG 2893 O OD1 . ASN A 363 ? 0.6758 0.7689 0.8255 0.2732 0.0109 -0.0837 425 ASN A OD1 2894 N ND2 . ASN A 363 ? 0.7723 0.5247 0.7349 0.2199 0.1408 0.0168 425 ASN A ND2 2895 N N . LEU A 364 ? 0.4515 0.4211 0.5312 0.0623 0.1001 -0.1003 426 LEU A N 2896 C CA . LEU A 364 ? 0.4483 0.3805 0.5772 0.0322 0.0521 -0.0716 426 LEU A CA 2897 C C . LEU A 364 ? 0.3853 0.4035 0.4946 -0.0301 0.1637 -0.0966 426 LEU A C 2898 O O . LEU A 364 ? 0.4450 0.4263 0.4883 -0.0103 0.0943 -0.1458 426 LEU A O 2899 C CB . LEU A 364 ? 0.4901 0.4619 0.5492 -0.0275 0.1036 -0.0530 426 LEU A CB 2900 C CG . LEU A 364 ? 0.4989 0.4687 0.5298 0.0030 0.0529 -0.0767 426 LEU A CG 2901 C CD1 . LEU A 364 ? 0.5033 0.4778 0.5776 -0.0037 0.0961 -0.0111 426 LEU A CD1 2902 C CD2 . LEU A 364 ? 0.5361 0.4568 0.6577 -0.1923 0.0532 -0.1235 426 LEU A CD2 2903 N N . LYS A 365 ? 0.4801 0.3952 0.5337 -0.0118 0.0755 -0.1180 427 LYS A N 2904 C CA . LYS A 365 ? 0.4404 0.3694 0.5410 0.0294 0.0461 -0.1196 427 LYS A CA 2905 C C . LYS A 365 ? 0.4253 0.4151 0.5569 0.0341 0.0686 -0.0956 427 LYS A C 2906 O O . LYS A 365 ? 0.4665 0.4620 0.5094 -0.0456 -0.0142 -0.0877 427 LYS A O 2907 C CB . LYS A 365 ? 0.4452 0.4678 0.5239 -0.0169 0.0482 -0.0936 427 LYS A CB 2908 C CG . LYS A 365 ? 0.4162 0.4021 0.5815 0.0972 0.1107 -0.1480 427 LYS A CG 2909 C CD . LYS A 365 ? 0.5244 0.5273 0.5821 -0.0702 -0.0184 -0.0914 427 LYS A CD 2910 C CE . LYS A 365 ? 0.5557 0.4989 0.5398 0.0657 0.0169 -0.1522 427 LYS A CE 2911 N NZ . LYS A 365 ? 0.7641 0.5127 0.5300 -0.0172 0.0579 -0.1765 427 LYS A NZ 2912 N N . ASP A 366 ? 0.4413 0.3943 0.4798 0.0544 0.0813 -0.1320 428 ASP A N 2913 C CA . ASP A 366 ? 0.4251 0.4558 0.5873 0.0277 0.0308 -0.1159 428 ASP A CA 2914 C C . ASP A 366 ? 0.4310 0.4354 0.5419 0.0341 0.0944 -0.1283 428 ASP A C 2915 O O . ASP A 366 ? 0.4121 0.4374 0.4753 0.0366 0.1128 -0.0713 428 ASP A O 2916 C CB . ASP A 366 ? 0.5233 0.4705 0.6516 0.0945 0.0363 -0.1085 428 ASP A CB 2917 C CG . ASP A 366 ? 0.5690 0.4980 0.6530 0.0884 0.0163 -0.1036 428 ASP A CG 2918 O OD1 . ASP A 366 ? 0.5614 0.5191 0.5829 -0.0306 0.0280 -0.2041 428 ASP A OD1 2919 O OD2 . ASP A 366 ? 0.5745 0.4378 0.7989 0.0775 0.0939 -0.1496 428 ASP A OD2 2920 N N . LEU A 367 ? 0.4414 0.4847 0.5106 0.0064 0.0645 -0.0464 429 LEU A N 2921 C CA . LEU A 367 ? 0.4364 0.4494 0.5076 0.0176 0.0889 -0.0540 429 LEU A CA 2922 C C . LEU A 367 ? 0.3606 0.4484 0.4704 0.0201 0.0909 -0.0386 429 LEU A C 2923 O O . LEU A 367 ? 0.3560 0.4991 0.4794 0.0207 0.0641 -0.0328 429 LEU A O 2924 C CB . LEU A 367 ? 0.4371 0.4324 0.5321 0.0623 0.0790 -0.0387 429 LEU A CB 2925 C CG . LEU A 367 ? 0.4347 0.4281 0.5466 0.0431 0.0513 -0.0267 429 LEU A CG 2926 C CD1 . LEU A 367 ? 0.4445 0.4134 0.5859 0.0428 0.0827 -0.0090 429 LEU A CD1 2927 C CD2 . LEU A 367 ? 0.4450 0.4769 0.5746 0.0619 0.0467 -0.0937 429 LEU A CD2 2928 N N . ILE A 368 ? 0.3331 0.4175 0.4296 0.0041 0.0791 -0.0997 430 ILE A N 2929 C CA . ILE A 368 ? 0.3537 0.3948 0.3949 0.0110 0.0790 -0.0983 430 ILE A CA 2930 C C . ILE A 368 ? 0.3523 0.4092 0.4380 0.0129 0.0963 -0.0626 430 ILE A C 2931 O O . ILE A 368 ? 0.3084 0.4450 0.4365 -0.0018 0.1022 -0.0863 430 ILE A O 2932 C CB . ILE A 368 ? 0.3398 0.3898 0.4048 0.0140 0.0742 -0.0880 430 ILE A CB 2933 C CG1 . ILE A 368 ? 0.3355 0.3935 0.4062 0.0272 0.0842 -0.0989 430 ILE A CG1 2934 C CG2 . ILE A 368 ? 0.3284 0.4804 0.4207 -0.0160 0.0627 -0.1296 430 ILE A CG2 2935 C CD1 . ILE A 368 ? 0.3331 0.3934 0.3727 0.0046 0.0989 -0.0759 430 ILE A CD1 2936 N N . VAL A 369 ? 0.3284 0.4231 0.4621 0.0232 0.0682 -0.0704 431 VAL A N 2937 C CA . VAL A 369 ? 0.3608 0.4418 0.4717 -0.0343 0.0962 -0.0786 431 VAL A CA 2938 C C . VAL A 369 ? 0.3754 0.4749 0.4344 0.0133 0.0752 -0.0506 431 VAL A C 2939 O O . VAL A 369 ? 0.3226 0.4591 0.4281 0.0177 0.0654 -0.0854 431 VAL A O 2940 C CB . VAL A 369 ? 0.3613 0.4798 0.4775 0.0038 0.0826 -0.0814 431 VAL A CB 2941 C CG1 . VAL A 369 ? 0.3619 0.4735 0.4953 -0.0015 0.0691 -0.0824 431 VAL A CG1 2942 C CG2 . VAL A 369 ? 0.3536 0.4408 0.4511 -0.0123 0.1014 -0.0674 431 VAL A CG2 2943 N N . PRO A 370 ? 0.3493 0.4752 0.4978 0.0706 0.0301 -0.0618 432 PRO A N 2944 C CA . PRO A 370 ? 0.4219 0.4426 0.4984 0.0374 0.0087 -0.0667 432 PRO A CA 2945 C C . PRO A 370 ? 0.3975 0.4855 0.4555 -0.0250 0.0414 -0.0497 432 PRO A C 2946 O O . PRO A 370 ? 0.4475 0.5036 0.4706 -0.0383 0.0367 -0.0707 432 PRO A O 2947 C CB . PRO A 370 ? 0.3669 0.4995 0.5093 0.0574 -0.0525 -0.0346 432 PRO A CB 2948 C CG . PRO A 370 ? 0.3671 0.4759 0.5578 0.0809 -0.0366 -0.0434 432 PRO A CG 2949 C CD . PRO A 370 ? 0.4036 0.4593 0.4895 0.0099 0.0309 -0.0707 432 PRO A CD 2950 N N . GLY A 371 ? 0.3855 0.5400 0.4129 -0.0147 0.0059 -0.0604 433 GLY A N 2951 C CA . GLY A 371 ? 0.3945 0.4361 0.4484 0.0311 0.0061 -0.0190 433 GLY A CA 2952 C C . GLY A 371 ? 0.4432 0.4207 0.4269 0.0241 0.0172 -0.0547 433 GLY A C 2953 O O . GLY A 371 ? 0.3850 0.4326 0.3687 -0.0284 0.0234 -0.0599 433 GLY A O 2954 N N . ASP A 372 ? 0.3677 0.3853 0.3460 -0.0097 0.0927 -0.0875 434 ASP A N 2955 C CA . ASP A 372 ? 0.3599 0.4124 0.3645 -0.0226 0.0508 -0.0738 434 ASP A CA 2956 C C . ASP A 372 ? 0.3841 0.4535 0.4119 -0.0305 0.1119 -0.0890 434 ASP A C 2957 O O . ASP A 372 ? 0.3887 0.4370 0.3954 -0.0183 0.1077 -0.0642 434 ASP A O 2958 C CB . ASP A 372 ? 0.3601 0.3759 0.3569 0.0325 0.0538 -0.0466 434 ASP A CB 2959 C CG . ASP A 372 ? 0.4127 0.3997 0.4476 0.0084 0.0942 -0.0671 434 ASP A CG 2960 O OD1 . ASP A 372 ? 0.3647 0.4063 0.3743 0.0291 0.0954 -0.0520 434 ASP A OD1 2961 O OD2 . ASP A 372 ? 0.3798 0.4558 0.4240 -0.0639 0.0635 -0.0972 434 ASP A OD2 2962 N N . VAL A 373 ? 0.3416 0.4010 0.4042 -0.0354 0.0630 -0.0993 435 VAL A N 2963 C CA . VAL A 373 ? 0.3627 0.4389 0.3837 -0.0355 0.0766 -0.0810 435 VAL A CA 2964 C C . VAL A 373 ? 0.3420 0.4782 0.3133 -0.0094 0.0715 -0.0847 435 VAL A C 2965 O O . VAL A 373 ? 0.3675 0.4784 0.3674 -0.0134 0.0699 -0.0886 435 VAL A O 2966 C CB . VAL A 373 ? 0.3318 0.4537 0.3930 -0.0731 0.0969 -0.0982 435 VAL A CB 2967 C CG1 . VAL A 373 ? 0.3230 0.5197 0.3911 -0.0539 0.1474 -0.0932 435 VAL A CG1 2968 C CG2 . VAL A 373 ? 0.3374 0.4040 0.3837 0.0066 0.0690 -0.1123 435 VAL A CG2 2969 N N . TYR A 374 ? 0.3407 0.4737 0.3312 0.0042 0.0963 -0.0767 436 TYR A N 2970 C CA . TYR A 374 ? 0.3468 0.4881 0.4798 -0.0186 0.0701 -0.0875 436 TYR A CA 2971 C C . TYR A 374 ? 0.3794 0.4905 0.4078 -0.0453 0.0590 -0.0463 436 TYR A C 2972 O O . TYR A 374 ? 0.3280 0.5626 0.3904 -0.0634 0.0493 -0.0599 436 TYR A O 2973 C CB . TYR A 374 ? 0.3246 0.5282 0.4542 0.0112 0.0349 -0.0232 436 TYR A CB 2974 C CG . TYR A 374 ? 0.4016 0.5211 0.4671 -0.0055 0.0411 -0.0647 436 TYR A CG 2975 C CD1 . TYR A 374 ? 0.3618 0.5785 0.4920 -0.0239 0.0745 -0.0980 436 TYR A CD1 2976 C CD2 . TYR A 374 ? 0.3348 0.5770 0.5260 -0.0155 0.0905 -0.1180 436 TYR A CD2 2977 C CE1 . TYR A 374 ? 0.3191 0.5556 0.4807 0.0241 0.0529 -0.0865 436 TYR A CE1 2978 C CE2 . TYR A 374 ? 0.3818 0.5546 0.5122 0.0092 0.0769 -0.0878 436 TYR A CE2 2979 C CZ . TYR A 374 ? 0.3940 0.5443 0.4728 0.0019 0.0888 -0.0778 436 TYR A CZ 2980 O OH . TYR A 374 ? 0.3770 0.5576 0.4800 -0.0114 0.0690 -0.0920 436 TYR A OH 2981 N N . ARG A 375 ? 0.3534 0.5308 0.4099 -0.0192 0.0518 -0.0660 437 ARG A N 2982 C CA . ARG A 375 ? 0.4075 0.4913 0.4307 -0.0103 0.0709 -0.0477 437 ARG A CA 2983 C C . ARG A 375 ? 0.3857 0.5044 0.3781 -0.0538 0.0559 0.0160 437 ARG A C 2984 O O . ARG A 375 ? 0.4122 0.5398 0.3756 -0.0300 0.0700 -0.0380 437 ARG A O 2985 C CB . ARG A 375 ? 0.4216 0.4959 0.4601 -0.0589 0.0804 -0.0654 437 ARG A CB 2986 C CG . ARG A 375 ? 0.4435 0.5466 0.5239 -0.0841 0.0780 -0.1128 437 ARG A CG 2987 C CD . ARG A 375 ? 0.5247 0.6729 0.4700 -0.0870 0.1656 -0.1096 437 ARG A CD 2988 N NE . ARG A 375 ? 0.6728 0.7360 0.4482 0.0145 -0.0233 0.0405 437 ARG A NE 2989 C CZ . ARG A 375 ? 0.6353 0.7160 0.5634 0.1968 -0.0246 -0.0498 437 ARG A CZ 2990 N NH1 . ARG A 375 ? 0.7635 0.8705 0.5022 0.0576 -0.0071 -0.0276 437 ARG A NH1 2991 N NH2 . ARG A 375 ? 0.6568 0.6921 0.7986 0.1697 0.0988 -0.1045 437 ARG A NH2 2992 N N . VAL A 376 ? 0.3026 0.4528 0.3769 -0.0630 0.0701 -0.0302 438 VAL A N 2993 C CA . VAL A 376 ? 0.3365 0.4411 0.4012 -0.0398 0.0558 -0.0526 438 VAL A CA 2994 C C . VAL A 376 ? 0.3584 0.4692 0.3825 -0.0176 0.0894 -0.0371 438 VAL A C 2995 O O . VAL A 376 ? 0.3532 0.4926 0.3676 -0.0424 0.1148 -0.0782 438 VAL A O 2996 C CB . VAL A 376 ? 0.3226 0.4248 0.3996 -0.0604 0.0715 -0.0415 438 VAL A CB 2997 C CG1 . VAL A 376 ? 0.3208 0.3787 0.3814 -0.0193 0.0355 -0.0503 438 VAL A CG1 2998 C CG2 . VAL A 376 ? 0.3276 0.4274 0.3273 -0.0488 0.0852 -0.1005 438 VAL A CG2 2999 N N . MET A 377 ? 0.3339 0.4194 0.3892 -0.0677 0.0489 -0.1094 439 MET A N 3000 C CA . MET A 377 ? 0.3365 0.4443 0.4109 -0.0205 0.0699 -0.0675 439 MET A CA 3001 C C . MET A 377 ? 0.3444 0.4637 0.4496 -0.0402 0.0331 -0.0491 439 MET A C 3002 O O . MET A 377 ? 0.3618 0.5008 0.4009 -0.0506 0.0556 -0.0264 439 MET A O 3003 C CB . MET A 377 ? 0.3662 0.4828 0.3904 -0.0460 0.1131 -0.0921 439 MET A CB 3004 C CG . MET A 377 ? 0.3318 0.4787 0.3985 -0.0180 0.0888 -0.0434 439 MET A CG 3005 S SD . MET A 377 ? 0.3594 0.5372 0.4213 -0.0008 0.0769 -0.0880 439 MET A SD 3006 C CE . MET A 377 ? 0.3708 0.5050 0.4159 0.0339 0.1102 -0.0466 439 MET A CE 3007 N N . ALA A 378 ? 0.3826 0.5090 0.3734 -0.0634 0.0730 -0.0837 440 ALA A N 3008 C CA . ALA A 378 ? 0.3833 0.5169 0.4278 -0.0702 0.0211 -0.0453 440 ALA A CA 3009 C C . ALA A 378 ? 0.3883 0.5276 0.4181 -0.0503 0.0263 -0.0334 440 ALA A C 3010 O O . ALA A 378 ? 0.4094 0.5466 0.4226 -0.0601 0.0172 -0.0797 440 ALA A O 3011 C CB . ALA A 378 ? 0.3873 0.4748 0.4188 -0.0779 0.0567 -0.0657 440 ALA A CB 3012 N N . VAL A 379 ? 0.3666 0.4817 0.3491 -0.0714 0.0154 -0.0357 441 VAL A N 3013 C CA . VAL A 379 ? 0.4324 0.5022 0.3737 -0.0648 0.0510 -0.0908 441 VAL A CA 3014 C C . VAL A 379 ? 0.3769 0.5078 0.4019 -0.0515 0.0295 -0.0950 441 VAL A C 3015 O O . VAL A 379 ? 0.3913 0.5023 0.3936 -0.0629 0.0595 -0.0541 441 VAL A O 3016 C CB . VAL A 379 ? 0.3961 0.5176 0.4259 -0.0496 0.0402 -0.0719 441 VAL A CB 3017 C CG1 . VAL A 379 ? 0.4976 0.5275 0.4409 -0.0524 -0.0318 -0.1100 441 VAL A CG1 3018 C CG2 . VAL A 379 ? 0.3944 0.5455 0.3709 -0.0799 0.1021 -0.0767 441 VAL A CG2 3019 N N . ASP A 380 ? 0.3468 0.4579 0.3961 -0.0737 0.0631 -0.0834 442 ASP A N 3020 C CA . ASP A 380 ? 0.3788 0.4631 0.4045 -0.0744 0.0782 -0.0762 442 ASP A CA 3021 C C . ASP A 380 ? 0.3865 0.5255 0.4285 -0.0723 0.0882 -0.0450 442 ASP A C 3022 O O . ASP A 380 ? 0.3979 0.5229 0.3961 -0.1174 0.1034 -0.0576 442 ASP A O 3023 C CB . ASP A 380 ? 0.3550 0.4615 0.3972 -0.0731 0.0710 -0.0564 442 ASP A CB 3024 C CG . ASP A 380 ? 0.3803 0.4712 0.3853 -0.0987 0.1004 -0.0493 442 ASP A CG 3025 O OD1 . ASP A 380 ? 0.3980 0.4747 0.4010 -0.0827 0.0991 -0.0832 442 ASP A OD1 3026 O OD2 . ASP A 380 ? 0.3383 0.4675 0.3947 -0.0711 0.0747 -0.0444 442 ASP A OD2 3027 N N . ALA A 381 ? 0.3699 0.4753 0.4197 -0.0770 0.0612 -0.0650 443 ALA A N 3028 C CA . ALA A 381 ? 0.3583 0.5549 0.4793 -0.0689 0.0756 -0.0654 443 ALA A CA 3029 C C . ALA A 381 ? 0.3916 0.5289 0.5029 -0.0694 0.0299 -0.0411 443 ALA A C 3030 O O . ALA A 381 ? 0.3786 0.5522 0.4611 -0.1155 0.0423 -0.0381 443 ALA A O 3031 C CB . ALA A 381 ? 0.4274 0.5287 0.4427 -0.0724 0.1137 -0.0155 443 ALA A CB 3032 N N . LEU A 382 ? 0.4169 0.5399 0.4256 -0.0747 0.0396 -0.0567 444 LEU A N 3033 C CA . LEU A 382 ? 0.4851 0.5574 0.4556 -0.0551 0.0578 -0.1026 444 LEU A CA 3034 C C . LEU A 382 ? 0.4426 0.5527 0.4049 -0.1331 0.0496 -0.0725 444 LEU A C 3035 O O . LEU A 382 ? 0.4030 0.5495 0.3916 -0.1323 0.0759 -0.0212 444 LEU A O 3036 C CB . LEU A 382 ? 0.4643 0.5654 0.4404 -0.1079 0.0293 -0.0241 444 LEU A CB 3037 C CG . LEU A 382 ? 0.4394 0.5403 0.4710 -0.0826 0.0120 -0.0516 444 LEU A CG 3038 C CD1 . LEU A 382 ? 0.4476 0.5106 0.5093 -0.0591 0.0651 -0.0266 444 LEU A CD1 3039 C CD2 . LEU A 382 ? 0.4196 0.5203 0.5134 0.0145 0.0809 -0.0974 444 LEU A CD2 3040 N N . ALA A 383 ? 0.4395 0.5288 0.4191 -0.1219 0.0983 -0.0972 445 ALA A N 3041 C CA . ALA A 383 ? 0.5100 0.5098 0.4921 -0.1217 0.0092 -0.1154 445 ALA A CA 3042 C C . ALA A 383 ? 0.4180 0.5631 0.4950 -0.1637 -0.0132 -0.0349 445 ALA A C 3043 O O . ALA A 383 ? 0.4790 0.5342 0.5623 -0.1473 0.0026 -0.0160 445 ALA A O 3044 C CB . ALA A 383 ? 0.4336 0.5498 0.5322 -0.1151 0.0692 0.0019 445 ALA A CB 3045 N N . SER A 384 ? 0.4776 0.5424 0.5086 -0.1518 0.0571 -0.0456 446 SER A N 3046 C CA . SER A 384 ? 0.4697 0.4974 0.5159 -0.0994 0.0090 -0.0518 446 SER A CA 3047 C C . SER A 384 ? 0.4686 0.5331 0.4319 -0.0950 -0.0242 -0.0903 446 SER A C 3048 O O . SER A 384 ? 0.4812 0.5013 0.4247 -0.0712 -0.0059 -0.0948 446 SER A O 3049 C CB . SER A 384 ? 0.4873 0.5350 0.5137 -0.0883 0.0176 -0.0774 446 SER A CB 3050 O OG . SER A 384 ? 0.4274 0.5744 0.4325 -0.0597 0.0006 -0.0267 446 SER A OG 3051 N N . SER A 385 ? 0.4925 0.4663 0.4493 -0.1006 0.0483 -0.0872 447 SER A N 3052 C CA . SER A 385 ? 0.4386 0.4990 0.3716 -0.0770 0.0334 -0.0560 447 SER A CA 3053 C C . SER A 385 ? 0.4426 0.4459 0.3713 -0.0886 0.0630 -0.0811 447 SER A C 3054 O O . SER A 385 ? 0.4438 0.4320 0.3470 -0.1182 0.0817 -0.0504 447 SER A O 3055 C CB . SER A 385 ? 0.4650 0.4098 0.4193 -0.1012 0.0175 -0.0485 447 SER A CB 3056 O OG . SER A 385 ? 0.3823 0.4893 0.3802 -0.0675 0.0734 -0.0605 447 SER A OG 3057 N N . HIS A 386 ? 0.3948 0.4593 0.3645 -0.0797 0.0978 -0.0807 448 HIS A N 3058 C CA . HIS A 386 ? 0.4665 0.3814 0.3807 -0.0745 0.0866 -0.0315 448 HIS A CA 3059 C C . HIS A 386 ? 0.4053 0.4222 0.3639 -0.0464 0.1063 -0.0517 448 HIS A C 3060 O O . HIS A 386 ? 0.4216 0.4081 0.3981 -0.0760 0.0975 -0.0896 448 HIS A O 3061 C CB . HIS A 386 ? 0.4763 0.3710 0.3668 -0.0930 0.0799 -0.0285 448 HIS A CB 3062 C CG . HIS A 386 ? 0.4294 0.4506 0.3487 -0.1088 0.1287 -0.0488 448 HIS A CG 3063 N ND1 . HIS A 386 ? 0.4343 0.4682 0.3876 -0.0469 0.0097 -0.0166 448 HIS A ND1 3064 C CD2 . HIS A 386 ? 0.4194 0.4142 0.3686 -0.0551 0.0416 -0.0674 448 HIS A CD2 3065 C CE1 . HIS A 386 ? 0.3881 0.4281 0.3761 -0.0396 0.0446 -0.0480 448 HIS A CE1 3066 N NE2 . HIS A 386 ? 0.4725 0.4308 0.3384 -0.0743 0.0395 -0.0546 448 HIS A NE2 3067 N N . PRO A 387 ? 0.3765 0.4460 0.3176 -0.0487 0.1071 -0.0542 449 PRO A N 3068 C CA . PRO A 387 ? 0.4015 0.3730 0.4062 -0.0766 0.0774 -0.0257 449 PRO A CA 3069 C C . PRO A 387 ? 0.4205 0.4279 0.3306 -0.0603 0.0793 -0.0431 449 PRO A C 3070 O O . PRO A 387 ? 0.4307 0.3748 0.3581 -0.0197 0.0801 -0.0743 449 PRO A O 3071 C CB . PRO A 387 ? 0.4663 0.4726 0.3838 -0.1230 0.0513 0.0134 449 PRO A CB 3072 C CG . PRO A 387 ? 0.4338 0.4404 0.3943 -0.0610 0.0457 -0.0474 449 PRO A CG 3073 C CD . PRO A 387 ? 0.4483 0.4664 0.3819 -0.1079 0.0559 -0.0429 449 PRO A CD 3074 N N . LEU A 388 ? 0.3996 0.4111 0.3679 -0.0471 0.0833 -0.0605 450 LEU A N 3075 C CA . LEU A 388 ? 0.3961 0.4112 0.3607 -0.0352 0.0659 -0.0422 450 LEU A CA 3076 C C . LEU A 388 ? 0.4200 0.4465 0.3527 -0.0498 0.0854 -0.0607 450 LEU A C 3077 O O . LEU A 388 ? 0.3911 0.4312 0.3935 -0.0715 0.0921 -0.0698 450 LEU A O 3078 C CB . LEU A 388 ? 0.3693 0.4126 0.3473 -0.0378 0.0949 -0.0539 450 LEU A CB 3079 C CG . LEU A 388 ? 0.4379 0.4205 0.3597 -0.0375 0.0852 -0.0447 450 LEU A CG 3080 C CD1 . LEU A 388 ? 0.3633 0.4400 0.3267 -0.0285 0.1791 -0.0699 450 LEU A CD1 3081 C CD2 . LEU A 388 ? 0.3869 0.4433 0.3269 -0.0532 0.0723 -0.0550 450 LEU A CD2 3082 N N . THR A 389 ? 0.3899 0.3867 0.3440 -0.0773 0.0633 -0.0678 451 THR A N 3083 C CA . THR A 389 ? 0.4056 0.4093 0.4026 -0.0617 0.0815 -0.0755 451 THR A CA 3084 C C . THR A 389 ? 0.4025 0.4449 0.4707 -0.0837 0.1073 -0.1061 451 THR A C 3085 O O . THR A 389 ? 0.3970 0.4625 0.5351 -0.0841 0.1130 -0.0782 451 THR A O 3086 C CB . THR A 389 ? 0.4257 0.4486 0.4122 -0.0813 0.0937 -0.0656 451 THR A CB 3087 O OG1 . THR A 389 ? 0.4981 0.4628 0.5027 -0.1052 0.1496 -0.0022 451 THR A OG1 3088 C CG2 . THR A 389 ? 0.4329 0.4245 0.4592 0.0038 0.0001 -0.0929 451 THR A CG2 3089 N N . THR A 390 ? 0.3868 0.3822 0.3943 -0.0821 0.1163 -0.0383 452 THR A N 3090 C CA . THR A 390 ? 0.4593 0.3937 0.4205 -0.0479 0.1077 -0.0446 452 THR A CA 3091 C C . THR A 390 ? 0.4411 0.3582 0.3675 -0.0642 0.1225 -0.0553 452 THR A C 3092 O O . THR A 390 ? 0.4116 0.3632 0.3456 -0.0305 0.1169 -0.0529 452 THR A O 3093 C CB . THR A 390 ? 0.4958 0.3960 0.4244 -0.0526 0.0723 -0.0546 452 THR A CB 3094 O OG1 . THR A 390 ? 0.4821 0.4571 0.4027 -0.0887 0.0771 -0.0316 452 THR A OG1 3095 C CG2 . THR A 390 ? 0.4932 0.3795 0.4634 -0.0556 0.0740 -0.0378 452 THR A CG2 3096 N N . PRO A 391 ? 0.4472 0.4144 0.4123 -0.0802 0.1554 0.0102 453 PRO A N 3097 C CA . PRO A 391 ? 0.4674 0.3935 0.3873 -0.0481 0.1713 0.0126 453 PRO A CA 3098 C C . PRO A 391 ? 0.4580 0.3557 0.3639 -0.0818 0.1465 -0.0053 453 PRO A C 3099 O O . PRO A 391 ? 0.4514 0.3457 0.3537 -0.0670 0.1290 -0.0359 453 PRO A O 3100 C CB . PRO A 391 ? 0.4868 0.4176 0.5043 -0.1274 0.1832 -0.0362 453 PRO A CB 3101 C CG . PRO A 391 ? 0.4894 0.4839 0.4905 -0.0727 0.1287 -0.0024 453 PRO A CG 3102 C CD . PRO A 391 ? 0.5035 0.4250 0.5056 -0.1269 0.1561 0.0232 453 PRO A CD 3103 N N . ALA A 392 ? 0.4217 0.3163 0.3558 0.0074 0.1437 0.0156 454 ALA A N 3104 C CA . ALA A 392 ? 0.4397 0.3261 0.3509 -0.0455 0.1351 0.0367 454 ALA A CA 3105 C C . ALA A 392 ? 0.4819 0.3442 0.3680 -0.0518 0.1499 0.0152 454 ALA A C 3106 O O . ALA A 392 ? 0.4493 0.3469 0.3568 0.0091 0.1755 0.0207 454 ALA A O 3107 C CB . ALA A 392 ? 0.4516 0.3501 0.3489 -0.0685 0.1575 0.0027 454 ALA A CB 3108 N N . GLU A 393 ? 0.5221 0.3292 0.3837 -0.0509 0.1735 0.0237 455 GLU A N 3109 C CA . GLU A 393 ? 0.5383 0.3005 0.4477 -0.0681 0.1699 0.0366 455 GLU A CA 3110 C C . GLU A 393 ? 0.5332 0.3444 0.3774 -0.0658 0.2103 0.0241 455 GLU A C 3111 O O . GLU A 393 ? 0.5607 0.3210 0.4714 -0.0587 0.1956 0.0063 455 GLU A O 3112 C CB . GLU A 393 ? 0.5689 0.4427 0.4521 0.0401 0.2198 0.1061 455 GLU A CB 3113 C CG . GLU A 393 ? 0.5468 0.4589 0.5153 -0.0330 0.2053 0.0413 455 GLU A CG 3114 C CD . GLU A 393 ? 0.6924 0.5339 0.5588 -0.1085 0.1954 -0.0105 455 GLU A CD 3115 O OE1 . GLU A 393 ? 0.6945 0.4509 0.3808 -0.0574 0.1698 0.0856 455 GLU A OE1 3116 O OE2 . GLU A 393 ? 0.6996 0.5599 0.5756 -0.0611 0.2017 0.0446 455 GLU A OE2 3117 N N . GLU A 394 ? 0.5438 0.3039 0.3488 -0.0521 0.2009 0.0331 456 GLU A N 3118 C CA . GLU A 394 ? 0.4890 0.3311 0.4122 -0.1248 0.1772 -0.0351 456 GLU A CA 3119 C C . GLU A 394 ? 0.4905 0.3368 0.4291 -0.1360 0.1478 -0.0247 456 GLU A C 3120 O O . GLU A 394 ? 0.4971 0.3520 0.4299 -0.1552 0.1329 -0.0169 456 GLU A O 3121 C CB . GLU A 394 ? 0.4776 0.3680 0.4760 -0.1282 0.2041 -0.0085 456 GLU A CB 3122 C CG . GLU A 394 ? 0.5341 0.4046 0.4539 -0.0844 0.1502 0.0435 456 GLU A CG 3123 C CD . GLU A 394 ? 0.5856 0.4270 0.5489 -0.0832 0.2150 0.0426 456 GLU A CD 3124 O OE1 . GLU A 394 ? 0.5683 0.5185 0.5907 -0.0084 0.1986 -0.0219 456 GLU A OE1 3125 O OE2 . GLU A 394 ? 0.6353 0.5982 0.5701 -0.1601 0.2547 0.0414 456 GLU A OE2 3126 N N . VAL A 395 ? 0.4477 0.2593 0.3732 -0.0878 0.1316 -0.0591 457 VAL A N 3127 C CA . VAL A 395 ? 0.4043 0.3160 0.3270 -0.1169 0.1112 -0.0784 457 VAL A CA 3128 C C . VAL A 395 ? 0.4316 0.2396 0.3839 -0.1095 0.1406 -0.0371 457 VAL A C 3129 O O . VAL A 395 ? 0.4173 0.2752 0.3181 -0.0461 0.1740 -0.0829 457 VAL A O 3130 C CB . VAL A 395 ? 0.3984 0.2864 0.3594 -0.0918 0.1297 -0.0321 457 VAL A CB 3131 C CG1 . VAL A 395 ? 0.4290 0.3010 0.3698 -0.1007 0.0741 -0.0133 457 VAL A CG1 3132 C CG2 . VAL A 395 ? 0.4158 0.3387 0.3021 -0.0840 0.1130 -0.0923 457 VAL A CG2 3133 N N . ASN A 396 ? 0.4298 0.3014 0.2882 -0.0736 0.1156 0.0066 458 ASN A N 3134 C CA . ASN A 396 ? 0.4326 0.2818 0.3329 -0.0846 0.1087 -0.0395 458 ASN A CA 3135 C C . ASN A 396 ? 0.4376 0.2666 0.3435 -0.1075 0.1308 -0.0494 458 ASN A C 3136 O O . ASN A 396 ? 0.4519 0.3564 0.3173 -0.1145 0.1241 -0.0152 458 ASN A O 3137 C CB . ASN A 396 ? 0.4768 0.2912 0.3555 -0.0917 0.1347 -0.0319 458 ASN A CB 3138 C CG . ASN A 396 ? 0.4796 0.2891 0.4215 -0.0735 0.0873 0.0108 458 ASN A CG 3139 O OD1 . ASN A 396 ? 0.5518 0.2668 0.3596 -0.0109 0.0663 -0.0579 458 ASN A OD1 3140 N ND2 . ASN A 396 ? 0.5677 0.3582 0.3523 -0.0939 0.1417 0.0063 458 ASN A ND2 3141 N N . THR A 397 ? 0.4731 0.3013 0.3357 -0.0797 0.1173 -0.0537 459 THR A N 3142 C CA . THR A 397 ? 0.4316 0.3077 0.3353 -0.0976 0.1438 -0.0360 459 THR A CA 3143 C C . THR A 397 ? 0.4562 0.2868 0.3476 -0.0980 0.1103 -0.0435 459 THR A C 3144 O O . THR A 397 ? 0.4733 0.3014 0.3276 -0.1115 0.1262 -0.0607 459 THR A O 3145 C CB . THR A 397 ? 0.4465 0.3048 0.2965 -0.1385 0.1593 -0.0244 459 THR A CB 3146 O OG1 . THR A 397 ? 0.4383 0.3128 0.3846 -0.1095 0.0674 -0.0680 459 THR A OG1 3147 C CG2 . THR A 397 ? 0.5398 0.2857 0.4551 -0.0980 0.1090 -0.0551 459 THR A CG2 3148 N N . PRO A 398 ? 0.4175 0.3070 0.3480 -0.0882 0.1156 -0.0711 460 PRO A N 3149 C CA . PRO A 398 ? 0.4245 0.2993 0.2792 -0.0686 0.0748 -0.0637 460 PRO A CA 3150 C C . PRO A 398 ? 0.4274 0.3173 0.2937 -0.0726 0.0713 -0.0654 460 PRO A C 3151 O O . PRO A 398 ? 0.4323 0.3056 0.3211 -0.0371 0.0760 -0.0504 460 PRO A O 3152 C CB . PRO A 398 ? 0.4588 0.3014 0.3374 -0.0625 0.1353 -0.0320 460 PRO A CB 3153 C CG . PRO A 398 ? 0.4481 0.3363 0.3398 -0.0846 0.1230 -0.0596 460 PRO A CG 3154 C CD . PRO A 398 ? 0.4635 0.2496 0.3011 -0.0603 0.0806 -0.0631 460 PRO A CD 3155 N N . ALA A 399 ? 0.4514 0.3158 0.3196 -0.1033 0.0937 -0.0703 461 ALA A N 3156 C CA . ALA A 399 ? 0.4808 0.3869 0.2952 -0.0921 0.0933 -0.0274 461 ALA A CA 3157 C C . ALA A 399 ? 0.4896 0.4133 0.3548 -0.0537 0.1170 -0.1082 461 ALA A C 3158 O O . ALA A 399 ? 0.4893 0.3675 0.3465 -0.0495 0.0547 -0.0613 461 ALA A O 3159 C CB . ALA A 399 ? 0.5049 0.4364 0.3671 -0.0936 0.0760 -0.0746 461 ALA A CB 3160 N N . GLN A 400 ? 0.4611 0.3157 0.3709 -0.0836 0.0877 -0.0832 462 GLN A N 3161 C CA . GLN A 400 ? 0.4487 0.3306 0.3634 -0.1007 0.1010 -0.0599 462 GLN A CA 3162 C C . GLN A 400 ? 0.4138 0.3504 0.3376 -0.0979 0.0739 -0.0554 462 GLN A C 3163 O O . GLN A 400 ? 0.4262 0.3360 0.3594 -0.1001 0.1248 -0.0374 462 GLN A O 3164 C CB . GLN A 400 ? 0.4585 0.3149 0.3783 -0.1151 0.1282 -0.0406 462 GLN A CB 3165 C CG . GLN A 400 ? 0.4743 0.3621 0.4067 -0.1336 0.0603 -0.0637 462 GLN A CG 3166 C CD . GLN A 400 ? 0.5034 0.3373 0.4713 -0.1476 0.0899 -0.0572 462 GLN A CD 3167 O OE1 . GLN A 400 ? 0.4805 0.3472 0.3802 -0.0870 0.1263 -0.0386 462 GLN A OE1 3168 N NE2 . GLN A 400 ? 0.5175 0.3999 0.6583 -0.1815 0.0973 -0.0257 462 GLN A NE2 3169 N N . ILE A 401 ? 0.4320 0.3109 0.3192 -0.0967 0.0818 -0.0454 463 ILE A N 3170 C CA . ILE A 401 ? 0.4111 0.3111 0.3406 -0.0838 0.0824 -0.0495 463 ILE A CA 3171 C C . ILE A 401 ? 0.4347 0.3215 0.3519 -0.0714 0.0475 -0.0815 463 ILE A C 3172 O O . ILE A 401 ? 0.3750 0.3037 0.2818 -0.0734 0.0907 -0.0445 463 ILE A O 3173 C CB . ILE A 401 ? 0.4119 0.3134 0.3499 -0.0684 0.0883 -0.0604 463 ILE A CB 3174 C CG1 . ILE A 401 ? 0.3921 0.3468 0.2806 -0.0782 0.1003 -0.0643 463 ILE A CG1 3175 C CG2 . ILE A 401 ? 0.3530 0.3040 0.3234 -0.0517 0.0894 -0.0455 463 ILE A CG2 3176 C CD1 . ILE A 401 ? 0.4109 0.2783 0.2655 -0.0634 0.1133 -0.0233 463 ILE A CD1 3177 N N . SER A 402 ? 0.4466 0.3665 0.3523 -0.0437 0.0405 -0.0842 464 SER A N 3178 C CA . SER A 402 ? 0.4115 0.4089 0.3458 -0.0597 0.0425 -0.0622 464 SER A CA 3179 C C . SER A 402 ? 0.4347 0.3647 0.3373 -0.0743 0.0672 -0.0889 464 SER A C 3180 O O . SER A 402 ? 0.4088 0.3907 0.3185 -0.0145 0.0689 -0.0915 464 SER A O 3181 C CB . SER A 402 ? 0.4550 0.4112 0.3418 -0.0520 0.0957 -0.0647 464 SER A CB 3182 O OG . SER A 402 ? 0.5055 0.4508 0.4108 -0.0715 0.1148 -0.0410 464 SER A OG 3183 N N . GLU A 403 ? 0.4153 0.3785 0.3659 -0.0986 0.0543 -0.0728 465 GLU A N 3184 C CA . GLU A 403 ? 0.3868 0.4362 0.3952 -0.0888 0.0541 -0.0734 465 GLU A CA 3185 C C . GLU A 403 ? 0.3673 0.3301 0.4292 -0.0758 0.0606 -0.0720 465 GLU A C 3186 O O . GLU A 403 ? 0.3425 0.4194 0.3964 -0.0768 0.0894 -0.0512 465 GLU A O 3187 C CB . GLU A 403 ? 0.4751 0.3820 0.4745 -0.0780 0.0198 -0.0868 465 GLU A CB 3188 C CG . GLU A 403 ? 0.4787 0.4334 0.4924 -0.1132 0.0120 -0.0803 465 GLU A CG 3189 C CD . GLU A 403 ? 0.7159 0.5779 0.5433 -0.1945 0.0034 -0.0019 465 GLU A CD 3190 O OE1 . GLU A 403 ? 0.5956 0.6843 0.5699 -0.0920 0.0461 0.0335 465 GLU A OE1 3191 O OE2 . GLU A 403 ? 0.7723 0.7218 0.6433 -0.1512 -0.0237 -0.1028 465 GLU A OE2 3192 N N . MET A 404 ? 0.3575 0.2835 0.3984 -0.1111 0.0752 -0.0486 466 MET A N 3193 C CA . MET A 404 ? 0.3499 0.3428 0.3860 -0.0523 0.0578 -0.0587 466 MET A CA 3194 C C . MET A 404 ? 0.3642 0.3281 0.3809 -0.0911 0.0665 -0.0652 466 MET A C 3195 O O . MET A 404 ? 0.4218 0.3694 0.3560 -0.0160 0.0531 -0.0552 466 MET A O 3196 C CB . MET A 404 ? 0.3654 0.3440 0.3271 -0.0693 0.0641 -0.0571 466 MET A CB 3197 C CG . MET A 404 ? 0.3496 0.3412 0.3426 -0.0701 0.1004 -0.0545 466 MET A CG 3198 S SD . MET A 404 ? 0.4046 0.3937 0.3731 -0.0978 0.1067 -0.0279 466 MET A SD 3199 C CE . MET A 404 ? 0.4292 0.3487 0.3891 -0.0653 0.0881 -0.0821 466 MET A CE 3200 N N . PHE A 405 ? 0.3273 0.3615 0.3557 -0.0963 0.0657 -0.0651 467 PHE A N 3201 C CA . PHE A 405 ? 0.3391 0.3865 0.3208 -0.0664 0.0541 -0.0435 467 PHE A CA 3202 C C . PHE A 405 ? 0.3380 0.4891 0.3636 -0.0442 0.0672 -0.0533 467 PHE A C 3203 O O . PHE A 405 ? 0.3836 0.5055 0.3552 -0.0103 0.0550 0.0099 467 PHE A O 3204 C CB . PHE A 405 ? 0.3553 0.3802 0.3342 -0.0725 0.0699 -0.0459 467 PHE A CB 3205 C CG . PHE A 405 ? 0.3665 0.3427 0.2887 -0.0706 0.1003 -0.0489 467 PHE A CG 3206 C CD1 . PHE A 405 ? 0.3713 0.3706 0.3225 -0.0739 0.0857 -0.0598 467 PHE A CD1 3207 C CD2 . PHE A 405 ? 0.3715 0.3593 0.3125 -0.0832 0.0650 -0.0345 467 PHE A CD2 3208 C CE1 . PHE A 405 ? 0.3870 0.3524 0.3137 -0.0654 0.0626 -0.0150 467 PHE A CE1 3209 C CE2 . PHE A 405 ? 0.3974 0.3590 0.3549 -0.0108 0.0973 -0.0331 467 PHE A CE2 3210 C CZ . PHE A 405 ? 0.4045 0.3214 0.3757 -0.0448 0.0763 -0.0533 467 PHE A CZ 3211 N N . ASP A 406 ? 0.3419 0.4378 0.3199 -0.0502 0.0552 -0.0896 468 ASP A N 3212 C CA . ASP A 406 ? 0.3507 0.3785 0.3630 -0.0349 0.0482 -0.0633 468 ASP A CA 3213 C C . ASP A 406 ? 0.3728 0.3704 0.3385 -0.0514 0.0615 -0.0484 468 ASP A C 3214 O O . ASP A 406 ? 0.3584 0.3708 0.3290 -0.0662 0.0822 -0.0412 468 ASP A O 3215 C CB . ASP A 406 ? 0.3567 0.4053 0.3517 -0.0559 0.0590 -0.0581 468 ASP A CB 3216 C CG . ASP A 406 ? 0.4341 0.4528 0.3791 -0.1351 0.0308 -0.0501 468 ASP A CG 3217 O OD1 . ASP A 406 ? 0.4119 0.4062 0.3411 -0.1035 0.0430 -0.0295 468 ASP A OD1 3218 O OD2 . ASP A 406 ? 0.4802 0.4790 0.3953 -0.1130 0.0511 0.0021 468 ASP A OD2 3219 N N . SER A 407 ? 0.3326 0.3717 0.3186 -0.0532 0.0764 -0.0712 469 SER A N 3220 C CA . SER A 407 ? 0.3572 0.4456 0.3754 -0.0217 0.1049 -0.0662 469 SER A CA 3221 C C . SER A 407 ? 0.3534 0.4136 0.3826 -0.0485 0.0507 -0.0819 469 SER A C 3222 O O . SER A 407 ? 0.3129 0.4229 0.3533 -0.0589 0.0818 -0.0799 469 SER A O 3223 C CB . SER A 407 ? 0.4207 0.4656 0.3899 0.0252 -0.0260 -0.1348 469 SER A CB 3224 O OG . SER A 407 ? 0.4924 0.5891 0.5104 0.1107 0.0079 -0.0348 469 SER A OG 3225 N N . ILE A 408 ? 0.3932 0.4105 0.3589 -0.0715 0.0530 -0.0690 470 ILE A N 3226 C CA . ILE A 408 ? 0.3677 0.4454 0.3719 -0.0512 0.0245 -0.0549 470 ILE A CA 3227 C C . ILE A 408 ? 0.3438 0.3996 0.3699 -0.0804 0.1074 -0.0639 470 ILE A C 3228 O O . ILE A 408 ? 0.3247 0.4275 0.3129 -0.0546 0.1012 -0.0530 470 ILE A O 3229 C CB . ILE A 408 ? 0.3817 0.4279 0.3439 -0.0454 0.0457 -0.0550 470 ILE A CB 3230 C CG1 . ILE A 408 ? 0.4066 0.5263 0.3399 -0.0993 0.1042 -0.0648 470 ILE A CG1 3231 C CG2 . ILE A 408 ? 0.4196 0.3915 0.3273 -0.1008 0.0754 -0.0515 470 ILE A CG2 3232 C CD1 . ILE A 408 ? 0.3991 0.4801 0.5092 -0.0034 0.0977 -0.0308 470 ILE A CD1 3233 N N . SER A 409 ? 0.3663 0.3468 0.3166 -0.0307 0.0800 -0.0401 471 SER A N 3234 C CA . SER A 409 ? 0.3572 0.3511 0.2969 -0.0339 0.0844 -0.0403 471 SER A CA 3235 C C . SER A 409 ? 0.3300 0.3836 0.3331 -0.0538 0.0963 -0.0549 471 SER A C 3236 O O . SER A 409 ? 0.3881 0.3395 0.3340 -0.0467 0.0853 -0.0520 471 SER A O 3237 C CB . SER A 409 ? 0.3533 0.3605 0.3457 -0.0195 0.0647 -0.0724 471 SER A CB 3238 O OG . SER A 409 ? 0.3515 0.3994 0.3011 -0.0218 0.0954 -0.0385 471 SER A OG 3239 N N . TYR A 410 ? 0.3127 0.3750 0.3368 0.0033 0.0743 -0.0676 472 TYR A N 3240 C CA . TYR A 410 ? 0.3383 0.3867 0.3293 -0.0330 0.0354 -0.0676 472 TYR A CA 3241 C C . TYR A 410 ? 0.3587 0.3846 0.3342 -0.0383 0.0694 -0.0601 472 TYR A C 3242 O O . TYR A 410 ? 0.3516 0.4029 0.3114 -0.0528 0.1169 -0.0829 472 TYR A O 3243 C CB . TYR A 410 ? 0.3509 0.3804 0.3566 -0.0247 0.0720 -0.0600 472 TYR A CB 3244 C CG . TYR A 410 ? 0.3669 0.3578 0.3055 -0.0557 0.0512 -0.0725 472 TYR A CG 3245 C CD1 . TYR A 410 ? 0.3610 0.3652 0.3211 -0.0389 0.0956 -0.0714 472 TYR A CD1 3246 C CD2 . TYR A 410 ? 0.3661 0.3467 0.3136 -0.0331 0.0646 -0.0704 472 TYR A CD2 3247 C CE1 . TYR A 410 ? 0.3359 0.3653 0.4096 -0.0365 0.0938 -0.0947 472 TYR A CE1 3248 C CE2 . TYR A 410 ? 0.3224 0.3569 0.3433 -0.0518 0.0466 -0.0629 472 TYR A CE2 3249 C CZ . TYR A 410 ? 0.3846 0.3602 0.3898 -0.0045 0.1115 -0.0387 472 TYR A CZ 3250 O OH . TYR A 410 ? 0.4010 0.3473 0.3325 -0.0404 0.0932 -0.0429 472 TYR A OH 3251 N N . SER A 411 ? 0.3389 0.3647 0.3215 -0.0489 0.0746 -0.0363 473 SER A N 3252 C CA . SER A 411 ? 0.3242 0.4033 0.3476 -0.0420 0.0777 -0.0365 473 SER A CA 3253 C C . SER A 411 ? 0.3059 0.4154 0.3360 -0.0003 0.0725 -0.0526 473 SER A C 3254 O O . SER A 411 ? 0.3620 0.3542 0.3663 -0.0346 0.0599 -0.0492 473 SER A O 3255 C CB . SER A 411 ? 0.3699 0.4129 0.3684 0.0140 0.0389 -0.0133 473 SER A CB 3256 O OG . SER A 411 ? 0.3254 0.3897 0.3627 -0.0468 0.0672 -0.0886 473 SER A OG 3257 N N . LYS A 412 ? 0.3268 0.4055 0.3224 -0.0424 0.0760 -0.0524 474 LYS A N 3258 C CA . LYS A 412 ? 0.3465 0.3856 0.3144 -0.0273 0.0738 -0.0550 474 LYS A CA 3259 C C . LYS A 412 ? 0.3376 0.3427 0.3354 -0.0857 0.0950 -0.0499 474 LYS A C 3260 O O . LYS A 412 ? 0.3412 0.3829 0.3140 -0.0312 0.1086 -0.0440 474 LYS A O 3261 C CB . LYS A 412 ? 0.3366 0.4365 0.3102 -0.0858 0.0782 -0.0357 474 LYS A CB 3262 C CG . LYS A 412 ? 0.3579 0.4326 0.3151 -0.0215 0.0832 -0.0306 474 LYS A CG 3263 C CD . LYS A 412 ? 0.3501 0.4446 0.3279 -0.0467 0.1227 -0.0497 474 LYS A CD 3264 C CE . LYS A 412 ? 0.3323 0.4362 0.3389 -0.0198 0.1001 -0.0119 474 LYS A CE 3265 N NZ . LYS A 412 ? 0.3147 0.4588 0.3422 -0.0473 0.0999 -0.0810 474 LYS A NZ 3266 N N . GLY A 413 ? 0.3396 0.3562 0.3493 -0.0465 0.0683 -0.0824 475 GLY A N 3267 C CA . GLY A 413 ? 0.3281 0.3774 0.2799 -0.0406 0.0811 -0.0495 475 GLY A CA 3268 C C . GLY A 413 ? 0.3195 0.3854 0.3422 -0.0219 0.0783 -0.0599 475 GLY A C 3269 O O . GLY A 413 ? 0.3309 0.3590 0.3582 -0.0596 0.0964 -0.1011 475 GLY A O 3270 N N . ALA A 414 ? 0.3397 0.3822 0.3092 -0.0075 0.1128 -0.0900 476 ALA A N 3271 C CA . ALA A 414 ? 0.3035 0.3560 0.3364 -0.0121 0.0566 -0.1116 476 ALA A CA 3272 C C . ALA A 414 ? 0.3362 0.3604 0.3131 -0.0163 0.0782 -0.0585 476 ALA A C 3273 O O . ALA A 414 ? 0.3451 0.3695 0.2920 -0.0163 0.1179 -0.0744 476 ALA A O 3274 C CB . ALA A 414 ? 0.2999 0.3100 0.3247 -0.0326 0.1404 -0.0924 476 ALA A CB 3275 N N . SER A 415 ? 0.3346 0.3874 0.3446 -0.0319 0.0874 -0.0546 477 SER A N 3276 C CA . SER A 415 ? 0.3518 0.3750 0.3364 -0.0254 0.0880 -0.0698 477 SER A CA 3277 C C . SER A 415 ? 0.3396 0.4387 0.3717 -0.0042 0.0584 -0.1037 477 SER A C 3278 O O . SER A 415 ? 0.3679 0.4422 0.3890 -0.0054 0.0941 -0.1108 477 SER A O 3279 C CB . SER A 415 ? 0.3233 0.4420 0.3541 -0.0123 0.0742 -0.0477 477 SER A CB 3280 O OG . SER A 415 ? 0.3357 0.4358 0.3646 -0.0135 0.0869 -0.0592 477 SER A OG 3281 N N . VAL A 416 ? 0.3525 0.4252 0.3435 -0.0421 0.0835 -0.0864 478 VAL A N 3282 C CA . VAL A 416 ? 0.3426 0.4543 0.3724 -0.0543 0.0717 -0.0411 478 VAL A CA 3283 C C . VAL A 416 ? 0.3619 0.4118 0.3278 -0.0253 0.0783 -0.0816 478 VAL A C 3284 O O . VAL A 416 ? 0.3456 0.4239 0.3232 -0.0014 0.0940 -0.1243 478 VAL A O 3285 C CB . VAL A 416 ? 0.3799 0.4628 0.3694 -0.0318 0.1085 -0.0484 478 VAL A CB 3286 C CG1 . VAL A 416 ? 0.4147 0.4565 0.3306 -0.0260 0.0800 -0.0621 478 VAL A CG1 3287 C CG2 . VAL A 416 ? 0.3898 0.4505 0.4041 -0.0372 0.1006 -0.0470 478 VAL A CG2 3288 N N . ILE A 417 ? 0.3522 0.4246 0.3017 -0.0215 0.0824 -0.0960 479 ILE A N 3289 C CA . ILE A 417 ? 0.3365 0.3888 0.3202 -0.0025 0.1018 -0.0630 479 ILE A CA 3290 C C . ILE A 417 ? 0.3508 0.3991 0.3134 -0.0495 0.1021 -0.0863 479 ILE A C 3291 O O . ILE A 417 ? 0.3629 0.3607 0.3381 -0.0147 0.0847 -0.1084 479 ILE A O 3292 C CB . ILE A 417 ? 0.3247 0.3985 0.3209 -0.0322 0.0839 -0.1029 479 ILE A CB 3293 C CG1 . ILE A 417 ? 0.3052 0.3952 0.3324 -0.0304 0.0878 -0.0964 479 ILE A CG1 3294 C CG2 . ILE A 417 ? 0.2958 0.3810 0.3536 -0.0253 0.1147 -0.0959 479 ILE A CG2 3295 C CD1 . ILE A 417 ? 0.3857 0.3663 0.3183 0.0084 0.0794 -0.0790 479 ILE A CD1 3296 N N . ARG A 418 ? 0.3330 0.4305 0.3244 -0.0068 0.1380 -0.0801 480 ARG A N 3297 C CA . ARG A 418 ? 0.3385 0.4124 0.3557 -0.0187 0.0971 -0.1009 480 ARG A CA 3298 C C . ARG A 418 ? 0.3972 0.4448 0.3361 -0.0405 0.0898 -0.1060 480 ARG A C 3299 O O . ARG A 418 ? 0.3919 0.4534 0.3005 -0.0272 0.1169 -0.0996 480 ARG A O 3300 C CB . ARG A 418 ? 0.3613 0.4268 0.3336 0.0086 0.0793 -0.1111 480 ARG A CB 3301 C CG . ARG A 418 ? 0.3874 0.4316 0.3546 0.0258 0.0527 -0.1390 480 ARG A CG 3302 C CD . ARG A 418 ? 0.3169 0.4573 0.4184 0.0261 0.0790 -0.0995 480 ARG A CD 3303 N NE . ARG A 418 ? 0.4140 0.4205 0.3778 0.0322 0.0736 -0.0925 480 ARG A NE 3304 C CZ . ARG A 418 ? 0.3890 0.4397 0.4402 0.0348 0.0802 -0.1079 480 ARG A CZ 3305 N NH1 . ARG A 418 ? 0.3353 0.4676 0.4497 -0.0149 0.0595 -0.1125 480 ARG A NH1 3306 N NH2 . ARG A 418 ? 0.3965 0.4837 0.5103 0.0814 0.0849 -0.0907 480 ARG A NH2 3307 N N . MET A 419 ? 0.3683 0.4329 0.3621 -0.0143 0.1040 -0.0921 481 MET A N 3308 C CA . MET A 419 ? 0.3568 0.4672 0.3662 -0.0042 0.0907 -0.0767 481 MET A CA 3309 C C . MET A 419 ? 0.3829 0.4400 0.3415 -0.0410 0.1036 -0.1030 481 MET A C 3310 O O . MET A 419 ? 0.3675 0.4932 0.3878 0.0025 0.1173 -0.1558 481 MET A O 3311 C CB . MET A 419 ? 0.3945 0.4505 0.3818 -0.0223 0.1409 -0.0767 481 MET A CB 3312 C CG . MET A 419 ? 0.4035 0.5016 0.2964 -0.0016 0.0680 -0.1044 481 MET A CG 3313 S SD . MET A 419 ? 0.4043 0.5270 0.3813 -0.0204 0.1364 -0.0856 481 MET A SD 3314 C CE . MET A 419 ? 0.3755 0.4849 0.4090 -0.0275 0.1221 -0.0120 481 MET A CE 3315 N N . LEU A 420 ? 0.3731 0.4167 0.3368 -0.0327 0.0816 -0.1212 482 LEU A N 3316 C CA . LEU A 420 ? 0.3617 0.4091 0.3759 -0.0309 0.0849 -0.0966 482 LEU A CA 3317 C C . LEU A 420 ? 0.3930 0.4051 0.3643 -0.0247 0.0531 -0.1249 482 LEU A C 3318 O O . LEU A 420 ? 0.3534 0.4543 0.2853 -0.0277 0.1341 -0.0762 482 LEU A O 3319 C CB . LEU A 420 ? 0.3713 0.4393 0.2986 -0.0339 0.0927 -0.0889 482 LEU A CB 3320 C CG . LEU A 420 ? 0.3703 0.4469 0.3085 -0.0195 0.1048 -0.0745 482 LEU A CG 3321 C CD1 . LEU A 420 ? 0.3969 0.4842 0.2569 -0.0180 0.0781 -0.0993 482 LEU A CD1 3322 C CD2 . LEU A 420 ? 0.3591 0.4506 0.2810 -0.0297 0.0339 -0.1354 482 LEU A CD2 3323 N N . SER A 421 ? 0.3734 0.4274 0.2943 -0.0248 0.0699 -0.1472 483 SER A N 3324 C CA . SER A 421 ? 0.4020 0.3928 0.3541 -0.0134 0.0396 -0.1107 483 SER A CA 3325 C C . SER A 421 ? 0.3852 0.4179 0.3500 -0.0301 0.0857 -0.1054 483 SER A C 3326 O O . SER A 421 ? 0.4171 0.4208 0.3554 0.0000 0.0988 -0.1357 483 SER A O 3327 C CB . SER A 421 ? 0.3636 0.4378 0.3072 -0.0015 0.0428 -0.1402 483 SER A CB 3328 O OG . SER A 421 ? 0.4089 0.4430 0.3211 -0.0246 0.1038 -0.1265 483 SER A OG 3329 N N A ASN A 422 ? 0.3930 0.4221 0.3246 -0.0134 0.0832 -0.1333 484 ASN A N 3330 N N B ASN A 422 ? 0.3930 0.4221 0.3246 -0.0134 0.0832 -0.1333 484 ASN A N 3331 C CA A ASN A 422 ? 0.4047 0.4295 0.3863 -0.0030 0.0782 -0.1704 484 ASN A CA 3332 C CA B ASN A 422 ? 0.4047 0.4295 0.3863 -0.0030 0.0782 -0.1704 484 ASN A CA 3333 C C A ASN A 422 ? 0.3692 0.4930 0.3702 0.0201 0.0599 -0.1472 484 ASN A C 3334 C C B ASN A 422 ? 0.3692 0.4930 0.3702 0.0201 0.0599 -0.1472 484 ASN A C 3335 O O A ASN A 422 ? 0.4761 0.4947 0.3290 0.0251 0.0898 -0.1387 484 ASN A O 3336 O O B ASN A 422 ? 0.4761 0.4947 0.3290 0.0251 0.0898 -0.1387 484 ASN A O 3337 C CB A ASN A 422 ? 0.4503 0.4830 0.3906 0.0444 0.0433 -0.1480 484 ASN A CB 3338 C CB B ASN A 422 ? 0.4503 0.4830 0.3906 0.0444 0.0433 -0.1480 484 ASN A CB 3339 C CG A ASN A 422 ? 0.5955 0.5438 0.5018 0.1092 0.0879 -0.1594 484 ASN A CG 3340 C CG B ASN A 422 ? 0.5955 0.5438 0.5018 0.1092 0.0879 -0.1594 484 ASN A CG 3341 O OD1 A ASN A 422 ? 0.7110 0.4989 0.6127 0.0771 -0.0481 -0.2405 484 ASN A OD1 3342 O OD1 B ASN A 422 ? 0.7110 0.4989 0.6127 0.0771 -0.0481 -0.2405 484 ASN A OD1 3343 N ND2 A ASN A 422 ? 0.7483 0.6146 0.4491 0.0050 0.0356 -0.1579 484 ASN A ND2 3344 N ND2 B ASN A 422 ? 0.7483 0.6146 0.4491 0.0050 0.0356 -0.1579 484 ASN A ND2 3345 N N . PHE A 423 ? 0.4225 0.4916 0.3480 0.0315 0.0958 -0.1559 485 PHE A N 3346 C CA . PHE A 423 ? 0.4501 0.4971 0.3634 -0.0011 0.0500 -0.1617 485 PHE A CA 3347 C C . PHE A 423 ? 0.4309 0.5307 0.3316 0.0012 0.0755 -0.1245 485 PHE A C 3348 O O . PHE A 423 ? 0.4105 0.5831 0.3477 0.0047 0.1472 -0.1823 485 PHE A O 3349 C CB . PHE A 423 ? 0.4512 0.5406 0.3594 -0.0204 0.1061 -0.1191 485 PHE A CB 3350 C CG . PHE A 423 ? 0.3934 0.5334 0.3532 -0.0323 0.0995 -0.1099 485 PHE A CG 3351 C CD1 . PHE A 423 ? 0.3972 0.5145 0.3314 -0.0404 0.1182 -0.1105 485 PHE A CD1 3352 C CD2 . PHE A 423 ? 0.3836 0.5421 0.3273 0.0018 0.1052 -0.1181 485 PHE A CD2 3353 C CE1 . PHE A 423 ? 0.4462 0.5200 0.2459 -0.0325 0.1628 -0.0765 485 PHE A CE1 3354 C CE2 . PHE A 423 ? 0.4178 0.5743 0.2546 0.0137 0.1348 -0.0766 485 PHE A CE2 3355 C CZ . PHE A 423 ? 0.4077 0.5277 0.3153 -0.0045 0.1165 -0.0880 485 PHE A CZ 3356 N N . LEU A 424 ? 0.4321 0.4873 0.3504 -0.0259 0.0863 -0.1792 486 LEU A N 3357 C CA . LEU A 424 ? 0.4372 0.5230 0.2840 0.0383 0.0704 -0.1432 486 LEU A CA 3358 C C . LEU A 424 ? 0.4216 0.5193 0.3417 0.0289 0.0990 -0.1688 486 LEU A C 3359 O O . LEU A 424 ? 0.4767 0.4786 0.3963 -0.0080 0.0958 -0.2017 486 LEU A O 3360 C CB . LEU A 424 ? 0.4361 0.5002 0.3473 0.0190 0.0877 -0.1706 486 LEU A CB 3361 C CG . LEU A 424 ? 0.4787 0.4992 0.3358 -0.0034 0.0924 -0.1302 486 LEU A CG 3362 C CD1 . LEU A 424 ? 0.4884 0.4124 0.3706 -0.0185 0.1130 -0.1155 486 LEU A CD1 3363 C CD2 . LEU A 424 ? 0.5045 0.5087 0.3189 -0.0572 0.0690 -0.1675 486 LEU A CD2 3364 N N . THR A 425 ? 0.4751 0.4917 0.3117 -0.0040 0.0949 -0.1447 487 THR A N 3365 C CA . THR A 425 ? 0.5218 0.4645 0.3463 0.0158 0.1172 -0.1616 487 THR A CA 3366 C C . THR A 425 ? 0.4283 0.4776 0.4005 0.0190 0.0709 -0.1709 487 THR A C 3367 O O . THR A 425 ? 0.4343 0.4396 0.3370 0.0059 0.0922 -0.1461 487 THR A O 3368 C CB . THR A 425 ? 0.4918 0.5477 0.3663 0.0160 0.0757 -0.1800 487 THR A CB 3369 O OG1 . THR A 425 ? 0.4928 0.5305 0.3397 0.0063 0.0724 -0.2386 487 THR A OG1 3370 C CG2 . THR A 425 ? 0.5300 0.5333 0.3755 0.0307 0.1255 -0.2101 487 THR A CG2 3371 N N . GLU A 426 ? 0.4746 0.4339 0.3777 0.0099 0.1310 -0.1802 488 GLU A N 3372 C CA . GLU A 426 ? 0.4440 0.4688 0.3334 -0.0030 0.0756 -0.1693 488 GLU A CA 3373 C C . GLU A 426 ? 0.4796 0.4230 0.3717 -0.0096 0.0617 -0.1824 488 GLU A C 3374 O O . GLU A 426 ? 0.4365 0.4636 0.3364 -0.0155 0.0534 -0.1571 488 GLU A O 3375 C CB . GLU A 426 ? 0.5015 0.4751 0.4322 0.0200 0.0746 -0.1174 488 GLU A CB 3376 C CG . GLU A 426 ? 0.5046 0.4793 0.4434 0.0335 0.0769 -0.0871 488 GLU A CG 3377 C CD . GLU A 426 ? 0.5875 0.4535 0.4849 -0.0304 0.0146 -0.0988 488 GLU A CD 3378 O OE1 . GLU A 426 ? 0.6087 0.4267 0.5183 0.0237 0.0392 -0.0814 488 GLU A OE1 3379 O OE2 . GLU A 426 ? 0.6215 0.6661 0.4598 -0.0664 0.0144 -0.0443 488 GLU A OE2 3380 N N . ASP A 427 ? 0.4782 0.4764 0.3357 0.0173 0.0734 -0.1957 489 ASP A N 3381 C CA . ASP A 427 ? 0.4734 0.4605 0.3692 -0.0191 0.0852 -0.1591 489 ASP A CA 3382 C C . ASP A 427 ? 0.4668 0.4938 0.3817 -0.0236 0.0350 -0.1492 489 ASP A C 3383 O O . ASP A 427 ? 0.4833 0.4918 0.2926 -0.0374 0.1129 -0.1514 489 ASP A O 3384 C CB . ASP A 427 ? 0.5242 0.4712 0.3959 -0.0155 0.0596 -0.1741 489 ASP A CB 3385 C CG . ASP A 427 ? 0.6279 0.5260 0.4553 -0.0318 0.0216 -0.2079 489 ASP A CG 3386 O OD1 . ASP A 427 ? 0.6949 0.5078 0.5868 -0.0509 0.0824 -0.0255 489 ASP A OD1 3387 O OD2 . ASP A 427 ? 0.6442 0.5476 0.6011 -0.0124 0.0859 -0.2265 489 ASP A OD2 3388 N N . LEU A 428 ? 0.4321 0.5209 0.3836 0.0070 0.0977 -0.1544 490 LEU A N 3389 C CA . LEU A 428 ? 0.4270 0.4705 0.3240 -0.0533 0.0408 -0.1421 490 LEU A CA 3390 C C . LEU A 428 ? 0.4111 0.4603 0.3088 -0.0671 0.0930 -0.1143 490 LEU A C 3391 O O . LEU A 428 ? 0.4580 0.4641 0.2619 -0.0286 0.0704 -0.1136 490 LEU A O 3392 C CB . LEU A 428 ? 0.4608 0.5231 0.3864 -0.0277 0.0917 -0.1032 490 LEU A CB 3393 C CG . LEU A 428 ? 0.4674 0.5804 0.3953 -0.0480 0.0729 -0.0771 490 LEU A CG 3394 C CD1 . LEU A 428 ? 0.5186 0.6829 0.3167 -0.0892 0.0924 -0.0606 490 LEU A CD1 3395 C CD2 . LEU A 428 ? 0.5215 0.5329 0.2875 0.0176 0.0955 -0.1825 490 LEU A CD2 3396 N N . PHE A 429 ? 0.4257 0.4425 0.3171 -0.0190 0.0656 -0.1141 491 PHE A N 3397 C CA . PHE A 429 ? 0.4230 0.4532 0.3105 -0.0193 0.0521 -0.1193 491 PHE A CA 3398 C C . PHE A 429 ? 0.4367 0.4282 0.3057 -0.0270 0.0383 -0.1313 491 PHE A C 3399 O O . PHE A 429 ? 0.4007 0.4431 0.2988 0.0043 0.0428 -0.1002 491 PHE A O 3400 C CB . PHE A 429 ? 0.4038 0.4339 0.2631 -0.0314 0.0552 -0.0948 491 PHE A CB 3401 C CG . PHE A 429 ? 0.4028 0.3804 0.3356 0.0162 0.0779 -0.1000 491 PHE A CG 3402 C CD1 . PHE A 429 ? 0.3700 0.4437 0.3213 -0.0422 0.0872 -0.1194 491 PHE A CD1 3403 C CD2 . PHE A 429 ? 0.5090 0.4383 0.3601 -0.0702 0.1214 -0.1692 491 PHE A CD2 3404 C CE1 . PHE A 429 ? 0.4298 0.4247 0.3234 -0.0845 0.1038 -0.1026 491 PHE A CE1 3405 C CE2 . PHE A 429 ? 0.4718 0.4354 0.2825 -0.0800 0.0696 -0.1129 491 PHE A CE2 3406 C CZ . PHE A 429 ? 0.5077 0.4225 0.3115 -0.0760 0.0928 -0.1131 491 PHE A CZ 3407 N N . LYS A 430 ? 0.4441 0.4113 0.3026 -0.0614 0.0196 -0.1612 492 LYS A N 3408 C CA . LYS A 430 ? 0.4164 0.4145 0.3784 -0.0160 0.0333 -0.1213 492 LYS A CA 3409 C C . LYS A 430 ? 0.4406 0.3870 0.3337 -0.0431 0.0189 -0.1584 492 LYS A C 3410 O O . LYS A 430 ? 0.4477 0.4302 0.3278 -0.0514 0.0460 -0.1269 492 LYS A O 3411 C CB . LYS A 430 ? 0.4289 0.4145 0.3402 -0.0070 0.0744 -0.0902 492 LYS A CB 3412 C CG . LYS A 430 ? 0.4709 0.4499 0.4023 -0.0083 0.0426 -0.0909 492 LYS A CG 3413 C CD . LYS A 430 ? 0.4873 0.4319 0.3981 -0.0494 0.0707 -0.1110 492 LYS A CD 3414 C CE . LYS A 430 ? 0.4880 0.3931 0.4254 -0.0344 0.0708 -0.1168 492 LYS A CE 3415 N NZ . LYS A 430 ? 0.6362 0.4200 0.4572 -0.0240 0.0816 -0.1205 492 LYS A NZ 3416 N N . GLU A 431 ? 0.4730 0.4353 0.3311 -0.0288 0.0477 -0.1595 493 GLU A N 3417 C CA . GLU A 431 ? 0.4671 0.4779 0.3232 0.0013 0.0818 -0.1500 493 GLU A CA 3418 C C . GLU A 431 ? 0.4608 0.4566 0.2640 -0.0400 0.0648 -0.1393 493 GLU A C 3419 O O . GLU A 431 ? 0.4337 0.4204 0.2840 -0.0243 0.0194 -0.1375 493 GLU A O 3420 C CB . GLU A 431 ? 0.4584 0.4902 0.3030 -0.0666 0.0651 -0.1102 493 GLU A CB 3421 C CG . GLU A 431 ? 0.4766 0.4819 0.3177 -0.0615 0.0677 -0.1171 493 GLU A CG 3422 C CD . GLU A 431 ? 0.4831 0.5391 0.3355 -0.0581 0.0492 -0.1647 493 GLU A CD 3423 O OE1 . GLU A 431 ? 0.5855 0.6392 0.2429 0.0071 0.0926 -0.1576 493 GLU A OE1 3424 O OE2 . GLU A 431 ? 0.5157 0.5862 0.3242 -0.0616 0.0762 -0.1341 493 GLU A OE2 3425 N N . GLY A 432 ? 0.4281 0.4533 0.2861 -0.0391 0.0580 -0.1607 494 GLY A N 3426 C CA . GLY A 432 ? 0.4390 0.4494 0.2971 -0.0225 0.0664 -0.0821 494 GLY A CA 3427 C C . GLY A 432 ? 0.4348 0.4463 0.3175 -0.0075 0.0582 -0.0911 494 GLY A C 3428 O O . GLY A 432 ? 0.4329 0.4656 0.2470 -0.0232 0.0564 -0.0984 494 GLY A O 3429 N N . LEU A 433 ? 0.3898 0.4390 0.3111 -0.0072 0.0511 -0.0824 495 LEU A N 3430 C CA . LEU A 433 ? 0.4082 0.4219 0.3356 0.0209 0.0452 -0.1357 495 LEU A CA 3431 C C . LEU A 433 ? 0.4234 0.4031 0.3600 -0.0481 0.0479 -0.1184 495 LEU A C 3432 O O . LEU A 433 ? 0.4224 0.3882 0.3171 -0.0156 0.0083 -0.0966 495 LEU A O 3433 C CB . LEU A 433 ? 0.4245 0.4010 0.2971 0.0091 0.0480 -0.1214 495 LEU A CB 3434 C CG . LEU A 433 ? 0.4581 0.4061 0.3544 -0.0455 0.0805 -0.0754 495 LEU A CG 3435 C CD1 . LEU A 433 ? 0.4482 0.4225 0.3462 0.0401 0.0775 -0.1279 495 LEU A CD1 3436 C CD2 . LEU A 433 ? 0.3739 0.4496 0.3757 -0.0313 0.0135 -0.0863 495 LEU A CD2 3437 N N . ALA A 434 ? 0.4210 0.4442 0.2918 -0.0044 -0.0037 -0.1559 496 ALA A N 3438 C CA . ALA A 434 ? 0.4421 0.4413 0.3038 -0.0435 -0.0080 -0.1071 496 ALA A CA 3439 C C . ALA A 434 ? 0.4486 0.4283 0.3161 -0.0293 0.0388 -0.1076 496 ALA A C 3440 O O . ALA A 434 ? 0.4065 0.4265 0.2735 -0.0506 0.0235 -0.0979 496 ALA A O 3441 C CB . ALA A 434 ? 0.3839 0.4326 0.3266 -0.0533 0.0274 -0.1123 496 ALA A CB 3442 N N . SER A 435 ? 0.4807 0.4509 0.3119 -0.0325 0.0585 -0.0773 497 SER A N 3443 C CA . SER A 435 ? 0.4514 0.4939 0.2852 0.0002 0.0853 -0.1283 497 SER A CA 3444 C C . SER A 435 ? 0.4026 0.4396 0.3177 -0.0251 0.0330 -0.1009 497 SER A C 3445 O O . SER A 435 ? 0.4337 0.4354 0.2484 0.0025 0.0047 -0.0932 497 SER A O 3446 C CB . SER A 435 ? 0.4940 0.4687 0.2323 0.0235 0.0530 -0.1100 497 SER A CB 3447 O OG . SER A 435 ? 0.4634 0.5747 0.2358 0.0056 0.0005 -0.1269 497 SER A OG 3448 N N . TYR A 436 ? 0.4008 0.4214 0.2343 -0.0036 0.0212 -0.0740 498 TYR A N 3449 C CA . TYR A 436 ? 0.3868 0.4046 0.2492 -0.0015 0.0009 -0.0548 498 TYR A CA 3450 C C . TYR A 436 ? 0.3772 0.4078 0.3016 -0.0242 0.0287 -0.0758 498 TYR A C 3451 O O . TYR A 436 ? 0.3734 0.4297 0.2516 -0.0263 0.0638 -0.0626 498 TYR A O 3452 C CB . TYR A 436 ? 0.3689 0.3801 0.2960 -0.0973 0.0337 -0.0566 498 TYR A CB 3453 C CG . TYR A 436 ? 0.3711 0.4011 0.2448 -0.0094 0.0718 -0.0672 498 TYR A CG 3454 C CD1 . TYR A 436 ? 0.3747 0.4210 0.2685 -0.0560 0.0704 -0.0914 498 TYR A CD1 3455 C CD2 . TYR A 436 ? 0.3753 0.3669 0.2749 0.0254 0.0265 -0.0467 498 TYR A CD2 3456 C CE1 . TYR A 436 ? 0.3731 0.4086 0.2387 -0.0369 0.0649 -0.0708 498 TYR A CE1 3457 C CE2 . TYR A 436 ? 0.3678 0.3443 0.3096 -0.0030 0.0833 -0.0711 498 TYR A CE2 3458 C CZ . TYR A 436 ? 0.3505 0.3653 0.2845 -0.0266 0.0365 -0.0612 498 TYR A CZ 3459 O OH . TYR A 436 ? 0.3639 0.3493 0.2234 0.0020 0.0406 -0.0420 498 TYR A OH 3460 N N . LEU A 437 ? 0.3500 0.4210 0.2790 -0.0070 0.0342 -0.0660 499 LEU A N 3461 C CA . LEU A 437 ? 0.3672 0.4295 0.2940 -0.0048 0.0396 -0.0695 499 LEU A CA 3462 C C . LEU A 437 ? 0.3949 0.4175 0.3606 -0.0351 0.0366 -0.0903 499 LEU A C 3463 O O . LEU A 437 ? 0.4155 0.4443 0.3001 -0.0186 0.0296 -0.0875 499 LEU A O 3464 C CB . LEU A 437 ? 0.3668 0.3926 0.2828 -0.0338 0.0371 -0.0827 499 LEU A CB 3465 C CG . LEU A 437 ? 0.3813 0.4056 0.3060 -0.0157 0.0267 -0.0849 499 LEU A CG 3466 C CD1 . LEU A 437 ? 0.4317 0.3642 0.3087 -0.0108 0.0421 -0.1045 499 LEU A CD1 3467 C CD2 . LEU A 437 ? 0.3467 0.3677 0.3404 0.0014 0.0262 -0.0836 499 LEU A CD2 3468 N N . HIS A 438 ? 0.4115 0.4823 0.3012 -0.0144 -0.0009 -0.0484 500 HIS A N 3469 C CA . HIS A 438 ? 0.4189 0.4924 0.3250 0.0117 -0.0128 -0.0699 500 HIS A CA 3470 C C . HIS A 438 ? 0.4040 0.4560 0.3108 -0.0102 0.0305 -0.0833 500 HIS A C 3471 O O . HIS A 438 ? 0.3762 0.4597 0.2995 -0.0165 0.0400 -0.0349 500 HIS A O 3472 C CB . HIS A 438 ? 0.4510 0.4599 0.3250 0.0098 0.0388 -0.0675 500 HIS A CB 3473 C CG . HIS A 438 ? 0.5687 0.4880 0.3985 -0.0115 0.0372 -0.0388 500 HIS A CG 3474 N ND1 . HIS A 438 ? 0.5684 0.5336 0.3409 -0.0176 0.0057 -0.1041 500 HIS A ND1 3475 C CD2 . HIS A 438 ? 0.5328 0.5103 0.3968 -0.0437 -0.0003 -0.0546 500 HIS A CD2 3476 C CE1 . HIS A 438 ? 0.5235 0.5215 0.4051 0.0013 0.0116 -0.1015 500 HIS A CE1 3477 N NE2 . HIS A 438 ? 0.4982 0.4852 0.4461 -0.0144 -0.0070 -0.1133 500 HIS A NE2 3478 N N . ALA A 439 ? 0.4034 0.4415 0.2638 -0.0346 0.0447 -0.1027 501 ALA A N 3479 C CA . ALA A 439 ? 0.3660 0.4597 0.2587 -0.0181 0.0461 -0.0569 501 ALA A CA 3480 C C . ALA A 439 ? 0.3691 0.4587 0.2723 -0.0129 0.0095 -0.0596 501 ALA A C 3481 O O . ALA A 439 ? 0.3786 0.4369 0.2456 -0.0280 0.0056 -0.0597 501 ALA A O 3482 C CB . ALA A 439 ? 0.4103 0.4348 0.3106 -0.0295 0.0896 -0.0724 501 ALA A CB 3483 N N . PHE A 440 ? 0.3916 0.4333 0.2423 -0.0418 0.0063 -0.0646 502 PHE A N 3484 C CA . PHE A 440 ? 0.4074 0.3730 0.2351 -0.0390 0.0520 -0.0543 502 PHE A CA 3485 C C . PHE A 440 ? 0.3695 0.3803 0.2581 -0.0358 0.0498 -0.0555 502 PHE A C 3486 O O . PHE A 440 ? 0.3389 0.3840 0.2001 -0.0040 0.0884 -0.0351 502 PHE A O 3487 C CB . PHE A 440 ? 0.3681 0.3993 0.2381 -0.0098 0.0841 -0.0628 502 PHE A CB 3488 C CG . PHE A 440 ? 0.3747 0.3988 0.2477 -0.0471 0.0260 -0.0439 502 PHE A CG 3489 C CD1 . PHE A 440 ? 0.3962 0.4197 0.2366 -0.0239 0.0580 -0.0508 502 PHE A CD1 3490 C CD2 . PHE A 440 ? 0.3726 0.4714 0.2751 -0.0354 0.0510 -0.0445 502 PHE A CD2 3491 C CE1 . PHE A 440 ? 0.4678 0.4392 0.2747 0.0106 0.0915 -0.0027 502 PHE A CE1 3492 C CE2 . PHE A 440 ? 0.4172 0.4711 0.2544 0.0194 0.0495 -0.0450 502 PHE A CE2 3493 C CZ . PHE A 440 ? 0.4489 0.4350 0.2410 -0.0300 0.0579 -0.0485 502 PHE A CZ 3494 N N . ALA A 441 ? 0.3657 0.3650 0.2602 -0.0183 0.0163 -0.0499 503 ALA A N 3495 C CA . ALA A 441 ? 0.3910 0.3779 0.3014 -0.0274 0.0601 -0.0686 503 ALA A CA 3496 C C . ALA A 441 ? 0.3680 0.3831 0.2831 -0.0131 0.0447 -0.0504 503 ALA A C 3497 O O . ALA A 441 ? 0.3709 0.3595 0.1921 -0.0482 0.0049 -0.0516 503 ALA A O 3498 C CB . ALA A 441 ? 0.4112 0.4017 0.2737 -0.0300 0.0411 -0.1088 503 ALA A CB 3499 N N . TYR A 442 ? 0.3726 0.3742 0.2867 -0.0166 0.0243 -0.0355 504 TYR A N 3500 C CA . TYR A 442 ? 0.3818 0.3621 0.2728 -0.0126 0.0456 0.0044 504 TYR A CA 3501 C C . TYR A 442 ? 0.3991 0.3490 0.3037 -0.0240 0.0653 -0.0269 504 TYR A C 3502 O O . TYR A 442 ? 0.3807 0.3746 0.2643 -0.0081 0.0363 -0.0261 504 TYR A O 3503 C CB . TYR A 442 ? 0.3796 0.3626 0.2636 0.0094 0.0821 -0.0444 504 TYR A CB 3504 C CG . TYR A 442 ? 0.3075 0.3686 0.2742 -0.0152 0.0770 -0.0266 504 TYR A CG 3505 C CD1 . TYR A 442 ? 0.3605 0.3438 0.3038 0.0001 0.0361 -0.0097 504 TYR A CD1 3506 C CD2 . TYR A 442 ? 0.3670 0.3576 0.3395 -0.0487 0.0638 -0.0417 504 TYR A CD2 3507 C CE1 . TYR A 442 ? 0.3397 0.3337 0.3325 -0.0026 0.0535 -0.0539 504 TYR A CE1 3508 C CE2 . TYR A 442 ? 0.3902 0.3770 0.3631 -0.0243 0.0671 -0.0041 504 TYR A CE2 3509 C CZ . TYR A 442 ? 0.3441 0.3539 0.3476 -0.0505 0.0167 -0.0272 504 TYR A CZ 3510 O OH . TYR A 442 ? 0.3787 0.3459 0.3798 -0.0836 0.0487 -0.0444 504 TYR A OH 3511 N N . GLN A 443 ? 0.3613 0.3613 0.2316 0.0086 0.0529 -0.0156 505 GLN A N 3512 C CA . GLN A 443 ? 0.3718 0.3633 0.2496 -0.0064 0.0687 -0.0193 505 GLN A CA 3513 C C . GLN A 443 ? 0.3831 0.3052 0.2125 -0.0324 0.0355 -0.0616 505 GLN A C 3514 O O . GLN A 443 ? 0.3715 0.3184 0.2521 -0.0190 0.0838 -0.0183 505 GLN A O 3515 C CB . GLN A 443 ? 0.3852 0.3825 0.2697 0.0175 0.0342 -0.0707 505 GLN A CB 3516 C CG . GLN A 443 ? 0.4201 0.4399 0.2598 -0.0347 0.0546 -0.0380 505 GLN A CG 3517 C CD . GLN A 443 ? 0.6166 0.4881 0.3204 -0.1433 -0.0260 0.0165 505 GLN A CD 3518 O OE1 . GLN A 443 ? 0.6656 0.5338 0.3446 -0.1218 -0.0059 0.0542 505 GLN A OE1 3519 N NE2 . GLN A 443 ? 0.6709 0.6274 0.4484 -0.1961 -0.0387 -0.0479 505 GLN A NE2 3520 N N . ASN A 444 ? 0.3873 0.3559 0.2060 -0.0142 0.0651 0.0019 506 ASN A N 3521 C CA . ASN A 444 ? 0.4231 0.3313 0.2088 -0.0541 0.0610 -0.0219 506 ASN A CA 3522 C C . ASN A 444 ? 0.3965 0.3820 0.2303 -0.0001 0.0856 -0.0526 506 ASN A C 3523 O O . ASN A 444 ? 0.3930 0.3611 0.1977 0.0255 0.1178 -0.0106 506 ASN A O 3524 C CB . ASN A 444 ? 0.4264 0.3092 0.2153 -0.0153 0.0644 -0.0117 506 ASN A CB 3525 C CG . ASN A 444 ? 0.3910 0.3561 0.2511 -0.0411 0.0507 0.0101 506 ASN A CG 3526 O OD1 . ASN A 444 ? 0.4597 0.3451 0.2521 -0.0256 0.0911 0.0340 506 ASN A OD1 3527 N ND2 . ASN A 444 ? 0.3885 0.3620 0.2368 0.0160 0.1118 -0.0038 506 ASN A ND2 3528 N N . THR A 445 ? 0.3700 0.3488 0.2693 -0.0321 0.0978 -0.0704 507 THR A N 3529 C CA . THR A 445 ? 0.3997 0.3400 0.2357 -0.0336 0.0894 -0.0513 507 THR A CA 3530 C C . THR A 445 ? 0.3861 0.3357 0.2700 -0.0345 0.1030 -0.0570 507 THR A C 3531 O O . THR A 445 ? 0.3963 0.3719 0.2615 -0.0302 0.0713 -0.0048 507 THR A O 3532 C CB . THR A 445 ? 0.4000 0.3597 0.2759 -0.0046 0.0783 -0.0508 507 THR A CB 3533 O OG1 . THR A 445 ? 0.4125 0.3713 0.2587 0.0086 0.0869 -0.0670 507 THR A OG1 3534 C CG2 . THR A 445 ? 0.3981 0.3358 0.2940 0.0088 0.0853 -0.0597 507 THR A CG2 3535 N N . THR A 446 ? 0.4229 0.3763 0.2353 -0.0301 0.0894 -0.0068 508 THR A N 3536 C CA . THR A 446 ? 0.3936 0.3588 0.2690 -0.0342 0.1024 -0.0498 508 THR A CA 3537 C C . THR A 446 ? 0.4053 0.3479 0.2361 -0.0209 0.1012 -0.0303 508 THR A C 3538 O O . THR A 446 ? 0.3667 0.3577 0.2176 -0.0204 0.0979 -0.0347 508 THR A O 3539 C CB . THR A 446 ? 0.4919 0.3380 0.2817 -0.0044 0.0678 -0.0441 508 THR A CB 3540 O OG1 . THR A 446 ? 0.4727 0.3652 0.2705 -0.0175 0.0996 -0.0037 508 THR A OG1 3541 C CG2 . THR A 446 ? 0.4139 0.4251 0.2784 0.0257 0.1008 0.0083 508 THR A CG2 3542 N N . TYR A 447 ? 0.3976 0.3812 0.2037 -0.0054 0.0849 -0.0423 509 TYR A N 3543 C CA . TYR A 447 ? 0.3852 0.3495 0.2706 -0.0240 0.0677 -0.0874 509 TYR A CA 3544 C C . TYR A 447 ? 0.3745 0.3734 0.2677 -0.0474 0.1256 -0.0327 509 TYR A C 3545 O O . TYR A 447 ? 0.4176 0.4080 0.2683 0.0083 0.0511 -0.0358 509 TYR A O 3546 C CB . TYR A 447 ? 0.3458 0.3945 0.2978 -0.0161 0.1082 -0.0602 509 TYR A CB 3547 C CG . TYR A 447 ? 0.4297 0.3753 0.3119 -0.0207 0.0907 -0.0461 509 TYR A CG 3548 C CD1 . TYR A 447 ? 0.5076 0.4059 0.2915 -0.0632 0.1214 -0.0585 509 TYR A CD1 3549 C CD2 . TYR A 447 ? 0.4507 0.4137 0.3004 -0.0612 0.0897 -0.0165 509 TYR A CD2 3550 C CE1 . TYR A 447 ? 0.4922 0.4353 0.2672 -0.0825 0.1075 -0.0437 509 TYR A CE1 3551 C CE2 . TYR A 447 ? 0.4439 0.4385 0.3367 -0.0726 0.1386 -0.0206 509 TYR A CE2 3552 C CZ . TYR A 447 ? 0.4119 0.4414 0.3434 -0.0869 0.1428 -0.0385 509 TYR A CZ 3553 O OH . TYR A 447 ? 0.4918 0.4578 0.3556 -0.0836 0.1154 -0.0097 509 TYR A OH 3554 N N . LEU A 448 ? 0.4057 0.4105 0.2592 0.0056 0.0716 -0.0301 510 LEU A N 3555 C CA . LEU A 448 ? 0.4213 0.3861 0.2597 -0.0565 0.0823 -0.0394 510 LEU A CA 3556 C C . LEU A 448 ? 0.4191 0.4224 0.2501 -0.0409 0.0766 -0.0577 510 LEU A C 3557 O O . LEU A 448 ? 0.3894 0.4292 0.2326 -0.0453 0.1643 -0.0576 510 LEU A O 3558 C CB . LEU A 448 ? 0.4249 0.4212 0.2494 -0.0399 0.0790 0.0162 510 LEU A CB 3559 C CG . LEU A 448 ? 0.3962 0.4437 0.3230 -0.0250 0.0957 0.0177 510 LEU A CG 3560 C CD1 . LEU A 448 ? 0.5226 0.4662 0.3264 -0.0191 0.1298 -0.0254 510 LEU A CD1 3561 C CD2 . LEU A 448 ? 0.5207 0.4714 0.3467 -0.0477 0.1596 -0.0942 510 LEU A CD2 3562 N N . ASP A 449 ? 0.4162 0.3882 0.2524 -0.0240 0.0880 -0.0421 511 ASP A N 3563 C CA . ASP A 449 ? 0.4319 0.4524 0.2365 -0.0358 0.0886 -0.0597 511 ASP A CA 3564 C C . ASP A 449 ? 0.3768 0.4414 0.2476 -0.0055 0.1062 -0.0512 511 ASP A C 3565 O O . ASP A 449 ? 0.4234 0.4380 0.3123 -0.0192 0.0724 -0.0561 511 ASP A O 3566 C CB . ASP A 449 ? 0.4010 0.4297 0.2615 0.0105 0.0841 -0.0576 511 ASP A CB 3567 C CG . ASP A 449 ? 0.4865 0.4414 0.2705 0.0208 0.0401 -0.0346 511 ASP A CG 3568 O OD1 . ASP A 449 ? 0.4467 0.4114 0.2560 0.0330 0.0511 -0.0478 511 ASP A OD1 3569 O OD2 . ASP A 449 ? 0.4033 0.3977 0.2697 0.0025 0.0462 -0.0285 511 ASP A OD2 3570 N N . LEU A 450 ? 0.3886 0.4239 0.2257 -0.0208 0.0911 -0.0431 512 LEU A N 3571 C CA . LEU A 450 ? 0.4021 0.4106 0.2610 -0.0156 0.0570 -0.0953 512 LEU A CA 3572 C C . LEU A 450 ? 0.4158 0.4203 0.2797 -0.0144 0.0874 -0.0671 512 LEU A C 3573 O O . LEU A 450 ? 0.4179 0.4460 0.2691 -0.0319 0.0553 -0.0662 512 LEU A O 3574 C CB . LEU A 450 ? 0.4008 0.4055 0.2560 -0.0089 0.0795 -0.0353 512 LEU A CB 3575 C CG . LEU A 450 ? 0.3842 0.4049 0.2901 -0.0255 0.0673 -0.0435 512 LEU A CG 3576 C CD1 . LEU A 450 ? 0.3934 0.4358 0.2670 -0.0354 0.0528 -0.0875 512 LEU A CD1 3577 C CD2 . LEU A 450 ? 0.3923 0.3880 0.2770 0.0181 0.0738 -0.0773 512 LEU A CD2 3578 N N . TRP A 451 ? 0.4355 0.4665 0.3197 -0.0133 0.1085 -0.0585 513 TRP A N 3579 C CA . TRP A 451 ? 0.4453 0.4340 0.2680 -0.0165 0.0873 -0.0422 513 TRP A CA 3580 C C . TRP A 451 ? 0.4115 0.4076 0.2463 -0.0319 0.1160 -0.0322 513 TRP A C 3581 O O . TRP A 451 ? 0.4268 0.4544 0.2822 0.0006 0.0908 -0.0825 513 TRP A O 3582 C CB . TRP A 451 ? 0.3906 0.4495 0.3194 -0.0042 0.0789 -0.0318 513 TRP A CB 3583 C CG . TRP A 451 ? 0.4263 0.4382 0.2717 -0.0133 0.0976 -0.0982 513 TRP A CG 3584 C CD1 . TRP A 451 ? 0.4316 0.4589 0.2689 -0.0247 0.0960 -0.0941 513 TRP A CD1 3585 C CD2 . TRP A 451 ? 0.4229 0.4246 0.2423 -0.0456 0.1229 -0.0989 513 TRP A CD2 3586 N NE1 . TRP A 451 ? 0.4427 0.4251 0.2944 -0.0176 0.0605 -0.0744 513 TRP A NE1 3587 C CE2 . TRP A 451 ? 0.3779 0.4613 0.2744 -0.0413 0.1041 -0.0459 513 TRP A CE2 3588 C CE3 . TRP A 451 ? 0.3970 0.4303 0.2932 0.0058 0.1040 -0.0564 513 TRP A CE3 3589 C CZ2 . TRP A 451 ? 0.3992 0.4179 0.2960 -0.0101 0.0880 -0.0522 513 TRP A CZ2 3590 C CZ3 . TRP A 451 ? 0.4048 0.4217 0.2932 -0.0411 0.0842 -0.0765 513 TRP A CZ3 3591 C CH2 . TRP A 451 ? 0.3816 0.4479 0.3031 -0.0584 0.0978 -0.0684 513 TRP A CH2 3592 N N . GLU A 452 ? 0.4294 0.4271 0.2636 -0.0146 0.0887 -0.0298 514 GLU A N 3593 C CA . GLU A 452 ? 0.4289 0.4721 0.3099 -0.0182 0.0715 -0.0605 514 GLU A CA 3594 C C . GLU A 452 ? 0.4439 0.5183 0.2937 -0.0361 0.0811 -0.0566 514 GLU A C 3595 O O . GLU A 452 ? 0.4543 0.4962 0.2700 -0.0960 0.0993 -0.0075 514 GLU A O 3596 C CB . GLU A 452 ? 0.5181 0.5502 0.2514 0.0384 0.0456 -0.0934 514 GLU A CB 3597 C CG . GLU A 452 ? 0.5282 0.6017 0.4296 0.0118 -0.0415 -0.0715 514 GLU A CG 3598 C CD . GLU A 452 ? 0.6102 0.6124 0.6226 0.0087 -0.1136 -0.1848 514 GLU A CD 3599 O OE1 . GLU A 452 ? 0.6888 0.5585 0.3433 0.0407 -0.0568 -0.1278 514 GLU A OE1 3600 O OE2 . GLU A 452 ? 0.6282 0.8108 0.6226 -0.0136 -0.1107 -0.0220 514 GLU A OE2 3601 N N . HIS A 453 ? 0.4123 0.5097 0.2425 -0.0136 0.0761 -0.0583 515 HIS A N 3602 C CA . HIS A 453 ? 0.4272 0.4845 0.2693 -0.0089 0.0216 -0.0681 515 HIS A CA 3603 C C . HIS A 453 ? 0.4135 0.5047 0.2781 -0.0442 0.0971 -0.0761 515 HIS A C 3604 O O . HIS A 453 ? 0.3801 0.5147 0.2914 -0.0308 0.0888 -0.0822 515 HIS A O 3605 C CB . HIS A 453 ? 0.4239 0.4177 0.3037 -0.0286 0.0469 -0.0905 515 HIS A CB 3606 C CG . HIS A 453 ? 0.4344 0.4626 0.3085 -0.0428 0.0479 -0.0894 515 HIS A CG 3607 N ND1 . HIS A 453 ? 0.4065 0.5124 0.2663 -0.0186 0.0725 -0.1016 515 HIS A ND1 3608 C CD2 . HIS A 453 ? 0.3782 0.4762 0.3021 -0.0199 0.0988 -0.0587 515 HIS A CD2 3609 C CE1 . HIS A 453 ? 0.4669 0.4821 0.3020 -0.0060 0.0164 -0.0962 515 HIS A CE1 3610 N NE2 . HIS A 453 ? 0.4417 0.4890 0.3238 -0.0163 0.0327 -0.0634 515 HIS A NE2 3611 N N . LEU A 454 ? 0.4246 0.4835 0.2330 -0.0149 0.0727 -0.0077 516 LEU A N 3612 C CA . LEU A 454 ? 0.4471 0.4534 0.2833 -0.0214 0.0595 -0.0685 516 LEU A CA 3613 C C . LEU A 454 ? 0.4005 0.5140 0.2822 -0.0413 0.0989 -0.1111 516 LEU A C 3614 O O . LEU A 454 ? 0.4257 0.4887 0.2992 -0.0487 0.0783 -0.1088 516 LEU A O 3615 C CB . LEU A 454 ? 0.4576 0.4286 0.2780 -0.0251 0.0369 -0.1015 516 LEU A CB 3616 C CG . LEU A 454 ? 0.4295 0.4458 0.3022 -0.0290 0.0579 -0.0806 516 LEU A CG 3617 C CD1 . LEU A 454 ? 0.4569 0.4205 0.2846 -0.0285 0.0430 -0.0936 516 LEU A CD1 3618 C CD2 . LEU A 454 ? 0.4434 0.4816 0.3683 -0.0526 0.0742 -0.0207 516 LEU A CD2 3619 N N . GLN A 455 ? 0.4179 0.4916 0.2425 -0.0119 0.0296 -0.0938 517 GLN A N 3620 C CA . GLN A 455 ? 0.4712 0.5042 0.2675 -0.0017 0.0634 -0.0732 517 GLN A CA 3621 C C . GLN A 455 ? 0.4930 0.4782 0.2697 -0.0153 0.0683 -0.0848 517 GLN A C 3622 O O . GLN A 455 ? 0.4879 0.5488 0.2788 -0.0452 0.0890 -0.1245 517 GLN A O 3623 C CB . GLN A 455 ? 0.4622 0.5254 0.2537 -0.0789 0.0773 -0.0583 517 GLN A CB 3624 C CG . GLN A 455 ? 0.4894 0.5519 0.2499 -0.0322 0.1059 -0.0607 517 GLN A CG 3625 C CD . GLN A 455 ? 0.5081 0.6338 0.2615 -0.0227 0.1113 -0.0971 517 GLN A CD 3626 O OE1 . GLN A 455 ? 0.4892 0.6159 0.2138 -0.0340 0.1318 -0.0821 517 GLN A OE1 3627 N NE2 . GLN A 455 ? 0.4882 0.5067 0.3211 -0.0264 0.0861 -0.1062 517 GLN A NE2 3628 N N . LYS A 456 ? 0.4590 0.5421 0.2924 -0.0262 0.0514 -0.0624 518 LYS A N 3629 C CA . LYS A 456 ? 0.5038 0.5860 0.3523 -0.0316 0.0246 -0.1302 518 LYS A CA 3630 C C . LYS A 456 ? 0.4352 0.5704 0.3210 -0.0871 0.0403 -0.1245 518 LYS A C 3631 O O . LYS A 456 ? 0.5090 0.5654 0.2889 -0.1051 0.0670 -0.0944 518 LYS A O 3632 C CB . LYS A 456 ? 0.5229 0.6665 0.2763 -0.0564 0.0300 -0.0791 518 LYS A CB 3633 C CG . LYS A 456 ? 0.5838 0.6911 0.5027 -0.0581 -0.0328 -0.1056 518 LYS A CG 3634 C CD . LYS A 456 ? 0.7069 0.7380 0.4409 0.0229 0.0958 0.0099 518 LYS A CD 3635 C CE . LYS A 456 ? 0.7554 0.7057 0.4698 0.0452 0.1264 0.0024 518 LYS A CE 3636 N NZ . LYS A 456 ? 0.7682 0.6970 0.5900 0.0410 0.0625 0.0057 518 LYS A NZ 3637 N N . ALA A 457 ? 0.4080 0.5521 0.2951 -0.0538 0.1062 -0.0732 519 ALA A N 3638 C CA . ALA A 457 ? 0.4837 0.5462 0.3147 -0.0765 0.0521 -0.1238 519 ALA A CA 3639 C C . ALA A 457 ? 0.5322 0.5649 0.2668 -0.0619 0.0549 -0.1440 519 ALA A C 3640 O O . ALA A 457 ? 0.4778 0.5453 0.2957 -0.0776 0.0881 -0.1506 519 ALA A O 3641 C CB . ALA A 457 ? 0.4298 0.5304 0.2946 -0.0732 0.1034 -0.1029 519 ALA A CB 3642 N N . VAL A 458 ? 0.4946 0.5661 0.2872 -0.0389 0.0852 -0.1284 520 VAL A N 3643 C CA . VAL A 458 ? 0.5239 0.5460 0.2340 -0.0848 0.0927 -0.0959 520 VAL A CA 3644 C C . VAL A 458 ? 0.4839 0.5295 0.2643 -0.1131 0.0592 -0.1409 520 VAL A C 3645 O O . VAL A 458 ? 0.4912 0.6156 0.2407 -0.0884 0.0976 -0.1438 520 VAL A O 3646 C CB . VAL A 458 ? 0.5077 0.5220 0.2531 -0.0609 0.0753 -0.1004 520 VAL A CB 3647 C CG1 . VAL A 458 ? 0.4398 0.4971 0.3013 -0.0524 0.0808 -0.1609 520 VAL A CG1 3648 C CG2 . VAL A 458 ? 0.4191 0.4900 0.2605 -0.0363 0.0833 -0.1560 520 VAL A CG2 3649 N N . ASP A 459 ? 0.4647 0.5686 0.2506 -0.0758 0.0988 -0.1272 521 ASP A N 3650 C CA . ASP A 459 ? 0.4824 0.6090 0.3098 -0.1094 0.0403 -0.0940 521 ASP A CA 3651 C C . ASP A 459 ? 0.5589 0.5454 0.3013 -0.0176 0.0069 -0.1672 521 ASP A C 3652 O O . ASP A 459 ? 0.5316 0.6125 0.2541 -0.1198 0.0970 -0.1026 521 ASP A O 3653 C CB . ASP A 459 ? 0.4977 0.6636 0.3359 -0.0449 0.0044 -0.1527 521 ASP A CB 3654 C CG . ASP A 459 ? 0.5821 0.6230 0.3534 -0.0667 0.0436 -0.1271 521 ASP A CG 3655 O OD1 . ASP A 459 ? 0.5777 0.6131 0.2909 -0.0693 0.0977 -0.0608 521 ASP A OD1 3656 O OD2 . ASP A 459 ? 0.6028 0.6402 0.2262 -0.0289 0.0233 0.0091 521 ASP A OD2 3657 N N . ALA A 460 ? 0.5132 0.6330 0.3220 -0.0474 0.0951 -0.1671 522 ALA A N 3658 C CA . ALA A 460 ? 0.6433 0.5808 0.2937 -0.0720 0.0418 -0.0698 522 ALA A CA 3659 C C . ALA A 460 ? 0.6677 0.6006 0.2295 -0.0734 0.0557 -0.1012 522 ALA A C 3660 O O . ALA A 460 ? 0.4563 0.6860 0.2302 -0.0931 0.1144 -0.1278 522 ALA A O 3661 C CB . ALA A 460 ? 0.6103 0.5770 0.2886 -0.1474 0.0030 -0.1408 522 ALA A CB 3662 N N . GLN A 461 ? 0.6034 0.5629 0.2204 -0.1189 0.0247 -0.0811 523 GLN A N 3663 C CA . GLN A 461 ? 0.5946 0.6662 0.2496 -0.0692 0.0928 -0.1691 523 GLN A CA 3664 C C . GLN A 461 ? 0.5773 0.6969 0.2305 -0.0992 0.0248 -0.0906 523 GLN A C 3665 O O . GLN A 461 ? 0.5468 0.6164 0.2717 -0.0715 0.0997 -0.1290 523 GLN A O 3666 C CB . GLN A 461 ? 0.5057 0.6217 0.2429 -0.1039 0.0542 -0.2183 523 GLN A CB 3667 C CG . GLN A 461 ? 0.5804 0.5815 0.2704 -0.1200 0.0246 -0.2054 523 GLN A CG 3668 C CD . GLN A 461 ? 0.6331 0.6614 0.2125 -0.1044 0.0363 -0.1435 523 GLN A CD 3669 O OE1 . GLN A 461 ? 0.5683 0.6148 0.2699 -0.0840 0.1409 -0.1627 523 GLN A OE1 3670 N NE2 . GLN A 461 ? 0.5352 0.6346 0.2618 -0.0559 0.0653 -0.1585 523 GLN A NE2 3671 N N . THR A 462 ? 0.6666 0.6021 0.3150 -0.1278 0.0762 -0.1393 524 THR A N 3672 C CA . THR A 462 ? 0.7024 0.6990 0.3056 -0.0984 0.1004 -0.2155 524 THR A CA 3673 C C . THR A 462 ? 0.7296 0.6920 0.3291 -0.0481 0.1267 -0.1754 524 THR A C 3674 O O . THR A 462 ? 0.6863 0.6768 0.3869 0.0223 0.1275 -0.1423 524 THR A O 3675 C CB . THR A 462 ? 0.6748 0.8120 0.2454 -0.1264 0.0325 -0.1252 524 THR A CB 3676 O OG1 . THR A 462 ? 0.6591 0.7553 0.3104 -0.1674 0.0283 -0.2532 524 THR A OG1 3677 C CG2 . THR A 462 ? 0.6826 0.7761 0.2965 -0.1098 0.0648 -0.1490 524 THR A CG2 3678 N N . SER A 463 ? 0.6827 0.6288 0.3046 -0.0814 0.0528 -0.2022 525 SER A N 3679 C CA . SER A 463 ? 0.6969 0.7558 0.3105 0.0138 0.1798 -0.2251 525 SER A CA 3680 C C . SER A 463 ? 0.7476 0.6450 0.3930 0.0494 0.1095 -0.2599 525 SER A C 3681 O O . SER A 463 ? 0.6616 0.6681 0.4095 0.0331 0.1068 -0.2307 525 SER A O 3682 C CB . SER A 463 ? 0.6783 0.5773 0.4891 0.0400 0.0904 -0.1762 525 SER A CB 3683 O OG . SER A 463 ? 0.7535 0.6345 0.6019 0.0971 0.1926 -0.1763 525 SER A OG 3684 N N . ILE A 464 ? 0.5871 0.6179 0.2821 -0.0083 0.1280 -0.1756 526 ILE A N 3685 C CA . ILE A 464 ? 0.5818 0.6330 0.3478 -0.0106 0.1131 -0.1815 526 ILE A CA 3686 C C . ILE A 464 ? 0.6581 0.6090 0.3793 0.0347 0.1461 -0.2421 526 ILE A C 3687 O O . ILE A 464 ? 0.5255 0.5988 0.3495 -0.0233 0.1824 -0.1062 526 ILE A O 3688 C CB . ILE A 464 ? 0.5984 0.5849 0.3474 0.0080 0.0857 -0.2191 526 ILE A CB 3689 C CG1 . ILE A 464 ? 0.6934 0.6029 0.4638 0.0415 0.0842 -0.1494 526 ILE A CG1 3690 C CG2 . ILE A 464 ? 0.5660 0.6301 0.3198 0.0440 0.0637 -0.2448 526 ILE A CG2 3691 C CD1 . ILE A 464 ? 0.6225 0.6805 0.4986 -0.0043 0.1509 -0.1489 526 ILE A CD1 3692 N N . ARG A 465 ? 0.5913 0.6299 0.4005 0.0106 0.1281 -0.2972 527 ARG A N 3693 C CA . ARG A 465 ? 0.5824 0.6731 0.3426 0.0144 0.1152 -0.1815 527 ARG A CA 3694 C C . ARG A 465 ? 0.5986 0.6504 0.4121 0.0081 0.0836 -0.1644 527 ARG A C 3695 O O . ARG A 465 ? 0.5772 0.6091 0.4977 0.0095 0.0870 -0.2245 527 ARG A O 3696 C CB . ARG A 465 ? 0.6607 0.7676 0.3195 0.0197 0.1187 -0.1371 527 ARG A CB 3697 C CG . ARG A 465 ? 0.6678 0.7828 0.4154 -0.0388 0.1438 -0.1167 527 ARG A CG 3698 C CD . ARG A 465 ? 0.8272 1.0697 0.4335 0.0849 0.1586 -0.1376 527 ARG A CD 3699 N NE . ARG A 465 ? 0.8673 1.2191 0.5633 0.1568 0.2522 -0.1114 527 ARG A NE 3700 C CZ . ARG A 465 ? 0.8184 1.3744 0.6459 0.1091 0.1933 0.0945 527 ARG A CZ 3701 N NH1 . ARG A 465 ? 0.9930 1.5454 0.6382 -0.0168 0.1790 0.2021 527 ARG A NH1 3702 N NH2 . ARG A 465 ? 0.8119 1.3269 0.9273 0.0697 0.1522 0.2394 527 ARG A NH2 3703 N N . LEU A 466 ? 0.4972 0.6220 0.3337 -0.0738 0.2060 -0.1374 528 LEU A N 3704 C CA . LEU A 466 ? 0.5523 0.6452 0.2436 -0.0117 0.1600 -0.1265 528 LEU A CA 3705 C C . LEU A 466 ? 0.4874 0.6382 0.2758 -0.0210 0.1826 -0.0921 528 LEU A C 3706 O O . LEU A 466 ? 0.5125 0.6619 0.3088 -0.0239 0.0996 -0.0823 528 LEU A O 3707 C CB . LEU A 466 ? 0.5321 0.6160 0.2567 -0.0109 0.1643 -0.1163 528 LEU A CB 3708 C CG . LEU A 466 ? 0.5098 0.5699 0.2955 0.0007 0.1283 -0.1482 528 LEU A CG 3709 C CD1 . LEU A 466 ? 0.4561 0.5894 0.2497 -0.0288 0.1995 -0.0551 528 LEU A CD1 3710 C CD2 . LEU A 466 ? 0.5290 0.6032 0.2754 0.0012 0.1253 -0.0969 528 LEU A CD2 3711 N N . PRO A 467 ? 0.5128 0.6282 0.2873 -0.0272 0.1678 -0.1341 529 PRO A N 3712 C CA . PRO A 467 ? 0.4992 0.7015 0.4061 -0.0293 0.1581 -0.0367 529 PRO A CA 3713 C C . PRO A 467 ? 0.5464 0.6895 0.3034 -0.0324 0.1247 -0.0900 529 PRO A C 3714 O O . PRO A 467 ? 0.5526 0.7478 0.2759 -0.0492 0.1845 -0.1231 529 PRO A O 3715 C CB . PRO A 467 ? 0.5698 0.7081 0.3745 -0.0572 0.1050 -0.1201 529 PRO A CB 3716 C CG . PRO A 467 ? 0.4885 0.6758 0.3725 -0.0487 0.0465 -0.1244 529 PRO A CG 3717 C CD . PRO A 467 ? 0.5268 0.6543 0.3350 -0.0542 0.1683 -0.0328 529 PRO A CD 3718 N N . ASP A 468 ? 0.4845 0.5933 0.3190 -0.0461 0.1163 -0.0821 530 ASP A N 3719 C CA . ASP A 468 ? 0.5205 0.6486 0.2991 -0.0427 0.1349 -0.0875 530 ASP A CA 3720 C C . ASP A 468 ? 0.5482 0.6397 0.3728 -0.0505 0.1504 -0.0863 530 ASP A C 3721 O O . ASP A 468 ? 0.5453 0.6383 0.2612 -0.0326 0.1610 -0.0325 530 ASP A O 3722 C CB . ASP A 468 ? 0.5186 0.6716 0.2812 -0.0440 0.1404 -0.0935 530 ASP A CB 3723 C CG . ASP A 468 ? 0.5596 0.7104 0.3539 -0.0791 0.0812 -0.0348 530 ASP A CG 3724 O OD1 . ASP A 468 ? 0.5472 0.6805 0.3549 -0.0143 0.1265 -0.0140 530 ASP A OD1 3725 O OD2 . ASP A 468 ? 0.6518 0.7385 0.4336 -0.1221 0.1387 -0.0006 530 ASP A OD2 3726 N N . THR A 469 ? 0.5091 0.5871 0.2713 -0.0335 0.1184 -0.0511 531 THR A N 3727 C CA . THR A 469 ? 0.4907 0.5499 0.3152 -0.0250 0.1101 -0.0693 531 THR A CA 3728 C C . THR A 469 ? 0.4790 0.5408 0.2711 -0.0236 0.1349 -0.1156 531 THR A C 3729 O O . THR A 469 ? 0.4767 0.5206 0.3249 -0.0643 0.1332 -0.0819 531 THR A O 3730 C CB . THR A 469 ? 0.4750 0.5661 0.3046 -0.0509 0.0757 -0.0665 531 THR A CB 3731 O OG1 . THR A 469 ? 0.4542 0.5679 0.2833 -0.0003 0.0499 -0.1142 531 THR A OG1 3732 C CG2 . THR A 469 ? 0.5652 0.6043 0.3243 -0.0628 0.0165 -0.0619 531 THR A CG2 3733 N N . VAL A 470 ? 0.4581 0.4696 0.2876 -0.0345 0.0872 -0.1103 532 VAL A N 3734 C CA . VAL A 470 ? 0.4220 0.5124 0.2871 -0.0311 0.1248 -0.0902 532 VAL A CA 3735 C C . VAL A 470 ? 0.4095 0.4735 0.2960 -0.0565 0.1234 -0.0542 532 VAL A C 3736 O O . VAL A 470 ? 0.4197 0.4922 0.2338 0.0101 0.1424 -0.0578 532 VAL A O 3737 C CB . VAL A 470 ? 0.4430 0.4506 0.2960 -0.0434 0.0907 -0.0313 532 VAL A CB 3738 C CG1 . VAL A 470 ? 0.3431 0.4315 0.2751 -0.0188 0.0683 -0.1260 532 VAL A CG1 3739 C CG2 . VAL A 470 ? 0.4893 0.5085 0.2273 -0.0378 0.1034 -0.0633 532 VAL A CG2 3740 N N . ARG A 471 ? 0.4190 0.4851 0.2706 -0.0617 0.1054 -0.0322 533 ARG A N 3741 C CA . ARG A 471 ? 0.4498 0.5029 0.2811 -0.0294 0.0829 -0.0716 533 ARG A CA 3742 C C . ARG A 471 ? 0.4459 0.5270 0.2799 -0.0345 0.1019 -0.0495 533 ARG A C 3743 O O . ARG A 471 ? 0.4314 0.4963 0.3193 -0.0638 0.1310 -0.0603 533 ARG A O 3744 C CB . ARG A 471 ? 0.4386 0.5134 0.2554 -0.0290 0.1078 -0.0640 533 ARG A CB 3745 C CG . ARG A 471 ? 0.4844 0.4759 0.3033 -0.0718 0.0872 -0.0268 533 ARG A CG 3746 C CD . ARG A 471 ? 0.7127 0.5113 0.2461 -0.0979 0.0534 -0.0274 533 ARG A CD 3747 N NE . ARG A 471 ? 0.6890 0.5908 0.3926 0.0819 0.1146 -0.1115 533 ARG A NE 3748 C CZ . ARG A 471 ? 0.5019 0.5702 0.3952 -0.0614 0.0649 -0.0720 533 ARG A CZ 3749 N NH1 . ARG A 471 ? 0.5708 0.6677 0.2694 -0.1226 0.0326 0.0576 533 ARG A NH1 3750 N NH2 . ARG A 471 ? 0.6806 0.5527 0.4855 0.0026 0.2270 -0.1022 533 ARG A NH2 3751 N N . ALA A 472 ? 0.4618 0.5186 0.2587 -0.0238 0.0949 -0.0165 534 ALA A N 3752 C CA . ALA A 472 ? 0.4674 0.5368 0.2839 -0.0195 0.1234 -0.0641 534 ALA A CA 3753 C C . ALA A 472 ? 0.4694 0.5505 0.2770 -0.0218 0.1048 -0.0563 534 ALA A C 3754 O O . ALA A 472 ? 0.4633 0.5015 0.3053 -0.0641 0.1548 -0.0619 534 ALA A O 3755 C CB . ALA A 472 ? 0.4493 0.5491 0.2884 -0.0818 0.1420 -0.0101 534 ALA A CB 3756 N N . ILE A 473 ? 0.4279 0.5305 0.2452 -0.0563 0.1402 -0.0641 535 ILE A N 3757 C CA . ILE A 473 ? 0.4312 0.5141 0.3103 -0.0170 0.1371 -0.0497 535 ILE A CA 3758 C C . ILE A 473 ? 0.4355 0.4667 0.3251 -0.0019 0.0927 -0.0634 535 ILE A C 3759 O O . ILE A 473 ? 0.4265 0.4816 0.3357 -0.0521 0.1214 -0.0484 535 ILE A O 3760 C CB . ILE A 473 ? 0.4246 0.5489 0.2962 -0.0035 0.1057 -0.1091 535 ILE A CB 3761 C CG1 . ILE A 473 ? 0.4480 0.5361 0.3048 -0.0454 0.1536 -0.0739 535 ILE A CG1 3762 C CG2 . ILE A 473 ? 0.4155 0.5217 0.3360 0.0345 0.1801 -0.0695 535 ILE A CG2 3763 C CD1 . ILE A 473 ? 0.4840 0.5852 0.2710 -0.0209 0.1068 -0.1063 535 ILE A CD1 3764 N N . MET A 474 ? 0.4363 0.4956 0.3006 -0.0297 0.0779 -0.0801 536 MET A N 3765 C CA . MET A 474 ? 0.4163 0.4802 0.3020 -0.0645 0.0625 -0.0640 536 MET A CA 3766 C C . MET A 474 ? 0.4183 0.4499 0.3089 -0.0382 0.0904 -0.0644 536 MET A C 3767 O O . MET A 474 ? 0.4106 0.4497 0.3128 -0.0746 0.0709 -0.0431 536 MET A O 3768 C CB . MET A 474 ? 0.4382 0.4485 0.3200 -0.0532 0.1233 -0.0878 536 MET A CB 3769 C CG . MET A 474 ? 0.4167 0.4266 0.3496 -0.0675 0.1114 -0.0300 536 MET A CG 3770 S SD . MET A 474 ? 0.4719 0.4720 0.3545 -0.0357 0.0921 -0.0748 536 MET A SD 3771 C CE . MET A 474 ? 0.3975 0.4065 0.3425 -0.0468 0.0892 -0.0436 536 MET A CE 3772 N N . ASP A 475 ? 0.4582 0.4988 0.3281 -0.0511 0.1062 -0.0191 537 ASP A N 3773 C CA . ASP A 475 ? 0.4517 0.4890 0.3084 -0.0396 0.0784 -0.0477 537 ASP A CA 3774 C C . ASP A 475 ? 0.4369 0.5152 0.3284 -0.0829 0.1095 -0.0336 537 ASP A C 3775 O O . ASP A 475 ? 0.4609 0.5011 0.3535 -0.0452 0.1360 -0.0692 537 ASP A O 3776 C CB . ASP A 475 ? 0.4327 0.5152 0.3759 -0.0407 0.0513 0.0029 537 ASP A CB 3777 C CG . ASP A 475 ? 0.4491 0.4915 0.3404 -0.0905 0.0603 -0.0386 537 ASP A CG 3778 O OD1 . ASP A 475 ? 0.4664 0.4650 0.3087 -0.0686 0.0675 -0.0591 537 ASP A OD1 3779 O OD2 . ASP A 475 ? 0.4741 0.4995 0.3327 -0.0328 0.0820 -0.0379 537 ASP A OD2 3780 N N . ARG A 476 ? 0.4469 0.4795 0.2961 -0.0445 0.0721 -0.0296 538 ARG A N 3781 C CA . ARG A 476 ? 0.4236 0.4434 0.3650 -0.0579 0.1445 -0.0308 538 ARG A CA 3782 C C . ARG A 476 ? 0.4225 0.4753 0.3335 -0.0524 0.1166 -0.1146 538 ARG A C 3783 O O . ARG A 476 ? 0.4306 0.4864 0.3356 -0.0941 0.1047 -0.0711 538 ARG A O 3784 C CB . ARG A 476 ? 0.4326 0.5149 0.3270 -0.0697 0.0972 -0.0993 538 ARG A CB 3785 C CG . ARG A 476 ? 0.4704 0.5458 0.3767 -0.0426 0.1957 -0.0082 538 ARG A CG 3786 C CD . ARG A 476 ? 0.5404 0.5532 0.3863 -0.0259 0.1337 -0.0480 538 ARG A CD 3787 N NE . ARG A 476 ? 0.5615 0.6545 0.3771 -0.0616 0.1441 -0.0245 538 ARG A NE 3788 C CZ . ARG A 476 ? 0.5420 0.7902 0.3653 -0.0609 0.1296 -0.0335 538 ARG A CZ 3789 N NH1 . ARG A 476 ? 0.5402 0.7627 0.3613 -0.0969 0.0991 0.0057 538 ARG A NH1 3790 N NH2 . ARG A 476 ? 0.6058 0.7612 0.4247 -0.1087 0.1052 0.0758 538 ARG A NH2 3791 N N . TRP A 477 ? 0.4346 0.4416 0.3231 -0.0512 0.1350 -0.1137 539 TRP A N 3792 C CA . TRP A 477 ? 0.4267 0.4474 0.3281 -0.0193 0.0713 -0.1027 539 TRP A CA 3793 C C . TRP A 477 ? 0.3865 0.4908 0.3392 -0.0422 0.0906 -0.0851 539 TRP A C 3794 O O . TRP A 477 ? 0.4030 0.4671 0.3032 -0.0211 0.1190 -0.0838 539 TRP A O 3795 C CB . TRP A 477 ? 0.3997 0.4648 0.3157 -0.0230 0.0909 -0.0851 539 TRP A CB 3796 C CG . TRP A 477 ? 0.4126 0.4807 0.3269 -0.0306 0.1094 -0.0835 539 TRP A CG 3797 C CD1 . TRP A 477 ? 0.3849 0.4676 0.3369 -0.0867 0.1206 -0.0920 539 TRP A CD1 3798 C CD2 . TRP A 477 ? 0.4184 0.5578 0.3624 -0.0070 0.0925 -0.1252 539 TRP A CD2 3799 N NE1 . TRP A 477 ? 0.4099 0.5121 0.3888 -0.0400 0.1186 -0.1163 539 TRP A NE1 3800 C CE2 . TRP A 477 ? 0.4201 0.5262 0.3071 -0.0402 0.1097 -0.0590 539 TRP A CE2 3801 C CE3 . TRP A 477 ? 0.3933 0.5191 0.3202 -0.0661 0.1046 -0.0812 539 TRP A CE3 3802 C CZ2 . TRP A 477 ? 0.4349 0.4858 0.3373 -0.0214 0.1422 -0.0734 539 TRP A CZ2 3803 C CZ3 . TRP A 477 ? 0.4060 0.4933 0.3397 -0.0345 0.0990 -0.0487 539 TRP A CZ3 3804 C CH2 . TRP A 477 ? 0.4087 0.5113 0.3917 -0.0632 0.1113 -0.1083 539 TRP A CH2 3805 N N . THR A 478 ? 0.3763 0.3858 0.3466 -0.1013 0.1052 -0.0555 540 THR A N 3806 C CA . THR A 478 ? 0.4066 0.4363 0.3392 -0.0686 0.0634 -0.0680 540 THR A CA 3807 C C . THR A 478 ? 0.4549 0.4271 0.3276 -0.0234 0.0738 -0.0471 540 THR A C 3808 O O . THR A 478 ? 0.4404 0.4593 0.2795 -0.0772 0.0964 -0.0147 540 THR A O 3809 C CB . THR A 478 ? 0.3845 0.4494 0.3259 -0.0361 0.1179 -0.0546 540 THR A CB 3810 O OG1 . THR A 478 ? 0.4250 0.4898 0.3935 -0.0497 0.0550 0.0150 540 THR A OG1 3811 C CG2 . THR A 478 ? 0.3697 0.4204 0.3138 -0.0641 0.1143 -0.0927 540 THR A CG2 3812 N N . LEU A 479 ? 0.4248 0.4680 0.3609 -0.0795 0.1294 -0.0273 541 LEU A N 3813 C CA . LEU A 479 ? 0.4626 0.4511 0.3064 -0.0510 0.0719 -0.0669 541 LEU A CA 3814 C C . LEU A 479 ? 0.4486 0.4611 0.3335 -0.0723 0.0928 -0.0321 541 LEU A C 3815 O O . LEU A 479 ? 0.5195 0.4560 0.3347 -0.0882 0.0819 -0.0315 541 LEU A O 3816 C CB . LEU A 479 ? 0.4801 0.4438 0.3754 -0.0488 0.0410 -0.0224 541 LEU A CB 3817 C CG . LEU A 479 ? 0.4745 0.5087 0.3630 -0.0451 0.0837 -0.0330 541 LEU A CG 3818 C CD1 . LEU A 479 ? 0.5803 0.5579 0.3990 -0.0643 0.0278 -0.0054 541 LEU A CD1 3819 C CD2 . LEU A 479 ? 0.5106 0.5242 0.3140 -0.0748 0.0933 -0.0395 541 LEU A CD2 3820 N N . GLN A 480 ? 0.4303 0.4749 0.3493 -0.0656 0.0708 -0.0563 542 GLN A N 3821 C CA . GLN A 480 ? 0.3969 0.4628 0.3671 -0.0701 0.1045 -0.0382 542 GLN A CA 3822 C C . GLN A 480 ? 0.4026 0.4668 0.3719 -0.0613 0.1075 -0.0328 542 GLN A C 3823 O O . GLN A 480 ? 0.3995 0.4815 0.3829 -0.0939 0.1113 -0.0531 542 GLN A O 3824 C CB . GLN A 480 ? 0.4131 0.5016 0.3170 -0.0796 0.0810 -0.0116 542 GLN A CB 3825 C CG . GLN A 480 ? 0.3995 0.5237 0.3706 -0.0545 0.1260 -0.0410 542 GLN A CG 3826 C CD . GLN A 480 ? 0.4635 0.5622 0.3644 -0.0929 0.1290 -0.0336 542 GLN A CD 3827 O OE1 . GLN A 480 ? 0.4614 0.5704 0.3662 -0.0941 0.1639 -0.0051 542 GLN A OE1 3828 N NE2 . GLN A 480 ? 0.4685 0.5545 0.3026 -0.1057 0.1739 -0.0308 542 GLN A NE2 3829 N N . MET A 481 ? 0.4098 0.4324 0.3468 -0.0911 0.1197 -0.0502 543 MET A N 3830 C CA . MET A 481 ? 0.3784 0.4829 0.3687 -0.0819 0.0769 -0.0463 543 MET A CA 3831 C C . MET A 481 ? 0.4226 0.4897 0.3905 -0.0700 0.1011 -0.0413 543 MET A C 3832 O O . MET A 481 ? 0.3803 0.5073 0.3751 -0.0545 0.1171 -0.0811 543 MET A O 3833 C CB . MET A 481 ? 0.3994 0.4553 0.3757 -0.1381 0.0398 -0.0166 543 MET A CB 3834 C CG . MET A 481 ? 0.3941 0.5068 0.3821 -0.1317 0.0777 -0.0066 543 MET A CG 3835 S SD . MET A 481 ? 0.4359 0.5088 0.4098 -0.1297 0.0918 -0.0406 543 MET A SD 3836 C CE . MET A 481 ? 0.4556 0.5338 0.4057 -0.1933 0.0891 -0.0380 543 MET A CE 3837 N N . GLY A 482 ? 0.4294 0.4994 0.3383 -0.0409 0.0968 -0.0565 544 GLY A N 3838 C CA . GLY A 482 ? 0.3895 0.4653 0.3664 -0.0888 0.1113 -0.0649 544 GLY A CA 3839 C C . GLY A 482 ? 0.4080 0.4722 0.3798 -0.0751 0.0521 -0.0637 544 GLY A C 3840 O O . GLY A 482 ? 0.4141 0.4601 0.3203 -0.1121 0.1095 -0.1045 544 GLY A O 3841 N N . PHE A 483 ? 0.3909 0.5093 0.3231 -0.1048 0.1018 -0.0839 545 PHE A N 3842 C CA . PHE A 483 ? 0.3768 0.4704 0.3749 -0.0383 0.0956 -0.0833 545 PHE A CA 3843 C C . PHE A 483 ? 0.3716 0.5037 0.4247 -0.0634 0.0941 -0.0595 545 PHE A C 3844 O O . PHE A 483 ? 0.3439 0.5498 0.3941 -0.0562 0.1559 -0.1482 545 PHE A O 3845 C CB . PHE A 483 ? 0.3385 0.4959 0.3267 -0.0600 0.1161 -0.0791 545 PHE A CB 3846 C CG . PHE A 483 ? 0.4101 0.5069 0.4051 -0.0511 0.0640 -0.0811 545 PHE A CG 3847 C CD1 . PHE A 483 ? 0.3838 0.5644 0.3932 -0.0333 0.0877 -0.0690 545 PHE A CD1 3848 C CD2 . PHE A 483 ? 0.3936 0.5187 0.4108 -0.0523 0.0650 -0.0660 545 PHE A CD2 3849 C CE1 . PHE A 483 ? 0.3660 0.5093 0.3552 -0.0641 0.0974 -0.0480 545 PHE A CE1 3850 C CE2 . PHE A 483 ? 0.3622 0.5093 0.4379 -0.0895 0.0671 -0.0438 545 PHE A CE2 3851 C CZ . PHE A 483 ? 0.3697 0.4891 0.4375 -0.0576 0.0523 -0.0803 545 PHE A CZ 3852 N N . PRO A 484 ? 0.3871 0.5234 0.4024 -0.0383 0.1516 -0.0564 546 PRO A N 3853 C CA . PRO A 484 ? 0.3689 0.5893 0.4119 -0.0591 0.1330 -0.0946 546 PRO A CA 3854 C C . PRO A 484 ? 0.4101 0.6179 0.3754 -0.0634 0.1012 -0.0613 546 PRO A C 3855 O O . PRO A 484 ? 0.3610 0.5838 0.4536 -0.0225 0.1309 -0.0797 546 PRO A O 3856 C CB . PRO A 484 ? 0.4223 0.6429 0.3823 -0.0752 0.1362 0.0077 546 PRO A CB 3857 C CG . PRO A 484 ? 0.3993 0.5614 0.4149 -0.0125 0.1809 -0.0091 546 PRO A CG 3858 C CD . PRO A 484 ? 0.4120 0.5658 0.3703 -0.0526 0.1363 -0.0509 546 PRO A CD 3859 N N . VAL A 485 ? 0.4075 0.6528 0.4402 -0.0340 0.1265 -0.0453 547 VAL A N 3860 C CA . VAL A 485 ? 0.3986 0.6529 0.4736 -0.0595 0.1686 -0.0414 547 VAL A CA 3861 C C . VAL A 485 ? 0.4715 0.6715 0.5106 -0.0524 0.1616 -0.0903 547 VAL A C 3862 O O . VAL A 485 ? 0.3697 0.7543 0.4504 -0.0749 0.1774 -0.0499 547 VAL A O 3863 C CB . VAL A 485 ? 0.4182 0.6733 0.4539 -0.0292 0.1356 -0.0880 547 VAL A CB 3864 C CG1 . VAL A 485 ? 0.4170 0.6877 0.5139 -0.0415 0.1801 -0.0557 547 VAL A CG1 3865 C CG2 . VAL A 485 ? 0.4179 0.6964 0.4528 -0.0146 0.1559 -0.0740 547 VAL A CG2 3866 N N . ILE A 486 ? 0.4106 0.7115 0.5055 -0.1124 0.2119 -0.1339 548 ILE A N 3867 C CA . ILE A 486 ? 0.4066 0.7338 0.4532 -0.0313 0.1188 -0.1007 548 ILE A CA 3868 C C . ILE A 486 ? 0.4215 0.7170 0.5318 -0.0135 0.1541 -0.1015 548 ILE A C 3869 O O . ILE A 486 ? 0.3855 0.7341 0.4853 -0.0069 0.1437 -0.0937 548 ILE A O 3870 C CB . ILE A 486 ? 0.4294 0.6832 0.4257 -0.0237 0.1452 -0.1018 548 ILE A CB 3871 C CG1 . ILE A 486 ? 0.4080 0.6321 0.4637 -0.0239 0.0766 -0.1244 548 ILE A CG1 3872 C CG2 . ILE A 486 ? 0.4944 0.7067 0.3939 -0.0920 0.1255 -0.0812 548 ILE A CG2 3873 C CD1 . ILE A 486 ? 0.4361 0.6426 0.4571 -0.0241 0.1466 -0.1137 548 ILE A CD1 3874 N N . THR A 487 ? 0.4429 0.7652 0.4273 0.0036 0.1240 -0.0663 549 THR A N 3875 C CA . THR A 487 ? 0.4638 0.8449 0.5404 0.0149 0.2183 -0.1254 549 THR A CA 3876 C C . THR A 487 ? 0.5532 0.9417 0.4625 0.0684 0.1755 -0.0562 549 THR A C 3877 O O . THR A 487 ? 0.5147 0.9046 0.4392 0.0145 0.2553 -0.0122 549 THR A O 3878 C CB . THR A 487 ? 0.4813 0.8323 0.5712 0.0055 0.1882 -0.0923 549 THR A CB 3879 O OG1 . THR A 487 ? 0.5595 0.8088 0.5577 -0.0102 0.1784 -0.0763 549 THR A OG1 3880 C CG2 . THR A 487 ? 0.4391 0.8145 0.5287 -0.0359 0.2014 0.0101 549 THR A CG2 3881 N N . VAL A 488 ? 0.6054 0.8878 0.5755 -0.0150 0.2535 -0.1279 550 VAL A N 3882 C CA . VAL A 488 ? 0.5014 0.9477 0.5555 -0.0271 0.2505 -0.1300 550 VAL A CA 3883 C C . VAL A 488 ? 0.4826 1.1335 0.7256 0.0064 0.1846 -0.0506 550 VAL A C 3884 O O . VAL A 488 ? 0.5358 1.0024 0.5317 -0.0485 0.2614 -0.0525 550 VAL A O 3885 C CB . VAL A 488 ? 0.5502 0.9519 0.5901 -0.0251 0.2505 -0.1233 550 VAL A CB 3886 C CG1 . VAL A 488 ? 0.6357 0.9577 0.5892 0.0323 0.2022 -0.1169 550 VAL A CG1 3887 C CG2 . VAL A 488 ? 0.5414 0.8398 0.7058 0.1508 0.0657 -0.0473 550 VAL A CG2 3888 N N . ASP A 489 ? 0.5257 1.0249 0.7349 0.0631 0.2061 -0.0274 551 ASP A N 3889 C CA . ASP A 489 ? 0.5276 1.1948 0.8173 0.0000 0.3010 -0.0930 551 ASP A CA 3890 C C . ASP A 489 ? 0.5249 1.1480 0.7633 0.1098 0.2556 -0.0981 551 ASP A C 3891 O O . ASP A 489 ? 0.6633 1.1541 0.7333 0.2138 0.1510 -0.2603 551 ASP A O 3892 C CB . ASP A 489 ? 0.3981 1.1194 0.5719 0.1503 0.3796 -0.1664 551 ASP A CB 3893 C CG . ASP A 489 ? 0.4140 1.3494 0.6290 0.1958 0.4006 -0.1903 551 ASP A CG 3894 O OD1 . ASP A 489 ? 0.6316 1.3932 0.6100 0.0967 0.2720 -0.0591 551 ASP A OD1 3895 O OD2 . ASP A 489 ? 0.3954 1.4819 0.8415 0.0665 0.3507 0.0651 551 ASP A OD2 3896 N N . THR A 490 ? 0.5827 1.1334 0.8306 0.0754 0.2579 -0.1095 552 THR A N 3897 C CA . THR A 490 ? 0.4594 1.3725 0.4611 0.1117 0.3923 -0.1615 552 THR A CA 3898 C C . THR A 490 ? 0.4984 1.3831 0.5353 0.1192 0.4583 -0.1484 552 THR A C 3899 O O . THR A 490 ? 0.7983 1.5138 0.7469 -0.1090 0.3187 -0.1885 552 THR A O 3900 C CB . THR A 490 ? 0.5311 1.1978 0.7045 -0.0160 0.3133 -0.1556 552 THR A CB 3901 O OG1 . THR A 490 ? 0.6469 1.1677 0.7159 -0.0682 0.0894 -0.2027 552 THR A OG1 3902 C CG2 . THR A 490 ? 0.5973 1.1132 0.5357 0.0773 0.2347 -0.2732 552 THR A CG2 3903 N N . LYS A 491 ? 0.4372 1.4819 0.5903 0.0408 0.4622 -0.1365 553 LYS A N 3904 C CA . LYS A 491 ? 0.4605 1.8691 0.5486 -0.0870 0.4475 -0.2288 553 LYS A CA 3905 C C . LYS A 491 ? 0.8945 1.5015 0.7534 0.0593 0.2928 -0.5543 553 LYS A C 3906 O O . LYS A 491 ? 0.9233 1.5455 0.6137 -0.0407 0.4917 -0.3722 553 LYS A O 3907 C CB . LYS A 491 ? 0.7643 1.3836 0.8474 -0.0957 0.3154 -0.1843 553 LYS A CB 3908 C CG . LYS A 491 ? 0.9277 1.5309 0.7462 0.1781 0.4299 -0.1622 553 LYS A CG 3909 C CD . LYS A 491 ? 0.9424 1.4994 0.9420 0.1470 0.3465 -0.0756 553 LYS A CD 3910 C CE . LYS A 491 ? 0.9742 1.3672 1.1319 0.0469 0.2670 0.1233 553 LYS A CE 3911 N NZ . LYS A 491 ? 0.8062 1.4291 0.9859 0.3102 0.6241 -0.2664 553 LYS A NZ 3912 N N . THR A 492 ? 0.5762 1.4312 0.9536 0.0024 0.3247 -0.1935 554 THR A N 3913 C CA . THR A 492 ? 0.8262 1.4190 0.8214 -0.0085 0.2376 -0.3250 554 THR A CA 3914 C C . THR A 492 ? 0.8479 1.1782 0.7238 0.0270 0.1526 -0.0701 554 THR A C 3915 O O . THR A 492 ? 0.6265 1.3146 0.5818 0.1203 0.3030 -0.1599 554 THR A O 3916 C CB . THR A 492 ? 0.6433 1.3196 0.5374 0.3691 0.2624 -0.4274 554 THR A CB 3917 O OG1 . THR A 492 ? 0.7044 1.3499 0.4615 0.2974 0.3342 -0.3155 554 THR A OG1 3918 C CG2 . THR A 492 ? 0.9115 1.4226 0.8578 -0.3247 0.4102 -0.4185 554 THR A CG2 3919 N N . GLY A 493 ? 0.7784 0.9709 0.7800 0.0038 0.2175 -0.1376 555 GLY A N 3920 C CA . GLY A 493 ? 0.8120 1.0880 0.6545 0.0157 0.1951 -0.1288 555 GLY A CA 3921 C C . GLY A 493 ? 0.7001 1.0563 0.4144 0.0050 0.0590 -0.0417 555 GLY A C 3922 O O . GLY A 493 ? 0.5950 0.9338 0.4915 -0.1292 0.1753 -0.1154 555 GLY A O 3923 N N . ASN A 494 ? 0.7810 1.0459 0.4746 -0.0855 0.2221 -0.0817 556 ASN A N 3924 C CA . ASN A 494 ? 0.7430 1.0772 0.6437 -0.0328 0.2411 0.0020 556 ASN A CA 3925 C C . ASN A 494 ? 0.7213 1.0056 0.5848 0.0765 0.1710 -0.0459 556 ASN A C 3926 O O . ASN A 494 ? 0.5612 1.1154 0.4369 0.0244 0.3150 -0.0462 556 ASN A O 3927 C CB . ASN A 494 ? 0.7173 1.0760 0.7082 -0.0287 0.1804 -0.0297 556 ASN A CB 3928 C CG . ASN A 494 ? 0.8810 1.1608 0.5973 -0.0157 0.0926 -0.0837 556 ASN A CG 3929 O OD1 . ASN A 494 ? 0.7151 1.1308 0.4688 -0.0146 0.3353 -0.0750 556 ASN A OD1 3930 N ND2 . ASN A 494 ? 0.7756 1.3984 0.7503 -0.0989 0.2768 -0.0976 556 ASN A ND2 3931 N N . ILE A 495 ? 0.6874 1.0446 0.5263 0.0628 0.2766 -0.0077 557 ILE A N 3932 C CA . ILE A 495 ? 0.6139 0.9356 0.5167 0.0293 0.2365 -0.0508 557 ILE A CA 3933 C C . ILE A 495 ? 0.7251 0.9979 0.4892 0.0019 0.1610 -0.1544 557 ILE A C 3934 O O . ILE A 495 ? 0.6921 0.8916 0.5180 0.0645 0.2744 -0.1620 557 ILE A O 3935 C CB . ILE A 495 ? 0.5221 1.0007 0.5355 0.0364 0.2637 -0.0561 557 ILE A CB 3936 C CG1 . ILE A 495 ? 0.6448 0.9533 0.5135 -0.0807 0.2712 -0.1057 557 ILE A CG1 3937 C CG2 . ILE A 495 ? 0.6389 1.0272 0.5276 0.0884 0.2119 -0.1464 557 ILE A CG2 3938 C CD1 . ILE A 495 ? 0.5103 0.9144 0.6215 0.0022 0.1868 -0.1286 557 ILE A CD1 3939 N N . SER A 496 ? 0.5436 0.9419 0.4550 -0.0343 0.1845 -0.0838 558 SER A N 3940 C CA . SER A 496 ? 0.4764 0.8581 0.4885 -0.0318 0.2547 0.0045 558 SER A CA 3941 C C . SER A 496 ? 0.5444 0.8592 0.4962 0.0117 0.2688 -0.0911 558 SER A C 3942 O O . SER A 496 ? 0.5098 0.8332 0.5058 0.0384 0.2982 -0.0988 558 SER A O 3943 C CB . SER A 496 ? 0.5618 0.8059 0.5228 -0.0918 0.2547 -0.1123 558 SER A CB 3944 O OG . SER A 496 ? 0.4961 0.9312 0.6888 -0.0643 0.1685 -0.0592 558 SER A OG 3945 N N . GLN A 497 ? 0.4100 0.7709 0.4823 -0.0714 0.2321 -0.0851 559 GLN A N 3946 C CA . GLN A 497 ? 0.4465 0.7477 0.4120 -0.1161 0.1762 -0.1090 559 GLN A CA 3947 C C . GLN A 497 ? 0.5165 0.7005 0.4865 -0.1275 0.1341 -0.0619 559 GLN A C 3948 O O . GLN A 497 ? 0.4269 0.7440 0.4298 -0.1564 0.2380 -0.0729 559 GLN A O 3949 C CB . GLN A 497 ? 0.4510 0.7093 0.3992 -0.0409 0.1600 -0.1219 559 GLN A CB 3950 C CG . GLN A 497 ? 0.4844 0.7085 0.4322 -0.0822 0.1394 -0.0739 559 GLN A CG 3951 C CD . GLN A 497 ? 0.4853 0.6666 0.4055 -0.0972 0.1718 -0.0204 559 GLN A CD 3952 O OE1 . GLN A 497 ? 0.4638 0.6340 0.4244 -0.1006 0.1626 -0.0903 559 GLN A OE1 3953 N NE2 . GLN A 497 ? 0.4323 0.6418 0.4175 -0.0867 0.1984 -0.0013 559 GLN A NE2 3954 N N . LYS A 498 ? 0.4731 0.7056 0.4926 -0.0629 0.1757 -0.0445 560 LYS A N 3955 C CA . LYS A 498 ? 0.4371 0.7343 0.4835 -0.0694 0.2033 -0.0453 560 LYS A CA 3956 C C . LYS A 498 ? 0.4663 0.6929 0.4339 -0.1004 0.1444 -0.0353 560 LYS A C 3957 O O . LYS A 498 ? 0.4018 0.6681 0.4229 -0.0375 0.2080 -0.0496 560 LYS A O 3958 C CB . LYS A 498 ? 0.4282 0.8331 0.5557 -0.0900 0.1967 0.0386 560 LYS A CB 3959 C CG . LYS A 498 ? 0.4762 0.8258 0.5899 -0.1434 0.1713 0.1519 560 LYS A CG 3960 C CD . LYS A 498 ? 0.4336 0.9830 0.6863 -0.1414 0.0794 0.0039 560 LYS A CD 3961 C CE . LYS A 498 ? 0.4649 1.0016 0.8267 -0.1124 0.0695 0.0473 560 LYS A CE 3962 N NZ . LYS A 498 ? 0.5384 1.0427 0.8383 -0.2153 0.1540 0.0693 560 LYS A NZ 3963 N N . HIS A 499 ? 0.4014 0.6354 0.4725 -0.1311 0.1447 -0.0239 561 HIS A N 3964 C CA . HIS A 499 ? 0.4552 0.6231 0.4476 -0.1008 0.1265 -0.0590 561 HIS A CA 3965 C C . HIS A 499 ? 0.4780 0.6049 0.4336 -0.1387 0.1159 -0.0812 561 HIS A C 3966 O O . HIS A 499 ? 0.4643 0.6091 0.5486 -0.1323 0.1401 -0.0772 561 HIS A O 3967 C CB . HIS A 499 ? 0.4029 0.5929 0.4833 -0.1103 0.1717 0.0367 561 HIS A CB 3968 C CG . HIS A 499 ? 0.4213 0.6011 0.4120 -0.0987 0.0547 0.0136 561 HIS A CG 3969 N ND1 . HIS A 499 ? 0.4358 0.5836 0.4832 -0.1914 0.1141 -0.0215 561 HIS A ND1 3970 C CD2 . HIS A 499 ? 0.3942 0.5933 0.4240 -0.1281 0.0602 -0.0046 561 HIS A CD2 3971 C CE1 . HIS A 499 ? 0.3996 0.5493 0.4347 -0.1090 0.0724 -0.0169 561 HIS A CE1 3972 N NE2 . HIS A 499 ? 0.4216 0.5502 0.4039 -0.1104 0.0582 -0.0128 561 HIS A NE2 3973 N N . PHE A 500 ? 0.4183 0.6649 0.4720 -0.1134 0.1304 -0.0226 562 PHE A N 3974 C CA . PHE A 500 ? 0.4219 0.6229 0.4919 -0.0541 0.1010 -0.0709 562 PHE A CA 3975 C C . PHE A 500 ? 0.3806 0.5932 0.5049 -0.0918 0.0856 -0.0949 562 PHE A C 3976 O O . PHE A 500 ? 0.3736 0.5763 0.4300 -0.0918 0.0763 -0.1120 562 PHE A O 3977 C CB . PHE A 500 ? 0.3676 0.6331 0.4646 -0.0519 0.1405 -0.0848 562 PHE A CB 3978 C CG . PHE A 500 ? 0.4046 0.6004 0.4967 -0.0839 0.1179 -0.0482 562 PHE A CG 3979 C CD1 . PHE A 500 ? 0.3978 0.6346 0.4672 -0.0604 0.1105 -0.0463 562 PHE A CD1 3980 C CD2 . PHE A 500 ? 0.3833 0.5633 0.5085 -0.1126 0.1040 -0.0657 562 PHE A CD2 3981 C CE1 . PHE A 500 ? 0.3178 0.6525 0.5215 -0.0629 0.1143 -0.0832 562 PHE A CE1 3982 C CE2 . PHE A 500 ? 0.4006 0.6199 0.5092 -0.0680 0.1126 -0.0399 562 PHE A CE2 3983 C CZ . PHE A 500 ? 0.3456 0.6631 0.5031 -0.0897 0.0343 -0.0311 562 PHE A CZ 3984 N N . LEU A 501 ? 0.3603 0.5735 0.5008 -0.1229 0.1176 -0.0645 563 LEU A N 3985 C CA . LEU A 501 ? 0.3896 0.5948 0.5196 -0.1179 0.0739 -0.0525 563 LEU A CA 3986 C C . LEU A 501 ? 0.4114 0.6649 0.5151 -0.0978 0.0525 -0.0720 563 LEU A C 3987 O O . LEU A 501 ? 0.4510 0.6709 0.5037 -0.0942 0.1158 -0.0145 563 LEU A O 3988 C CB . LEU A 501 ? 0.4246 0.6260 0.5301 -0.1184 0.0989 0.0418 563 LEU A CB 3989 C CG . LEU A 501 ? 0.4742 0.6177 0.7041 -0.0370 0.1207 0.0027 563 LEU A CG 3990 C CD1 . LEU A 501 ? 0.5541 0.7621 0.7646 -0.1276 0.1733 0.0684 563 LEU A CD1 3991 C CD2 . LEU A 501 ? 0.5117 0.5908 0.5779 -0.0096 0.0855 -0.0103 563 LEU A CD2 3992 N N . LEU A 502 ? 0.3817 0.5927 0.5569 -0.1617 0.0684 -0.0077 564 LEU A N 3993 C CA . LEU A 502 ? 0.4022 0.6390 0.4788 -0.0997 0.0617 -0.0560 564 LEU A CA 3994 C C . LEU A 502 ? 0.3804 0.6593 0.4452 -0.1165 0.0878 -0.0107 564 LEU A C 3995 O O . LEU A 502 ? 0.3905 0.7337 0.5349 -0.0488 0.0695 -0.0711 564 LEU A O 3996 C CB . LEU A 502 ? 0.3797 0.6662 0.5447 -0.1065 0.1604 -0.0499 564 LEU A CB 3997 C CG . LEU A 502 ? 0.4583 0.5898 0.4415 -0.0747 0.0786 -0.0332 564 LEU A CG 3998 C CD1 . LEU A 502 ? 0.2900 0.5602 0.5268 -0.0490 0.0478 -0.0058 564 LEU A CD1 3999 C CD2 . LEU A 502 ? 0.3478 0.6135 0.4732 -0.0530 0.0948 -0.0596 564 LEU A CD2 4000 N N . ASP A 503 ? 0.4180 0.6102 0.4583 -0.0884 0.0374 -0.0043 565 ASP A N 4001 C CA . ASP A 503 ? 0.4316 0.6741 0.6050 -0.1207 0.0328 -0.0608 565 ASP A CA 4002 C C . ASP A 503 ? 0.4526 0.7096 0.6500 -0.1375 0.0659 -0.0401 565 ASP A C 4003 O O . ASP A 503 ? 0.4594 0.7004 0.5933 -0.1532 0.0705 -0.0310 565 ASP A O 4004 C CB . ASP A 503 ? 0.5035 0.6478 0.5160 -0.1433 -0.0024 -0.0325 565 ASP A CB 4005 C CG . ASP A 503 ? 0.5077 0.6770 0.6242 -0.1524 0.0120 -0.0521 565 ASP A CG 4006 O OD1 . ASP A 503 ? 0.4843 0.6730 0.7917 -0.1280 0.0318 0.0520 565 ASP A OD1 4007 O OD2 . ASP A 503 ? 0.4476 0.6340 0.7739 -0.1475 -0.0441 -0.1396 565 ASP A OD2 4008 N N . SER A 504 ? 0.4828 0.7423 0.6938 -0.1340 0.1149 -0.0394 566 SER A N 4009 C CA . SER A 504 ? 0.4235 0.7137 0.7802 -0.1771 0.1583 -0.0062 566 SER A CA 4010 C C . SER A 504 ? 0.5204 0.7114 0.7352 -0.1601 0.1122 0.0126 566 SER A C 4011 O O . SER A 504 ? 0.6021 0.7634 0.8027 -0.2839 0.2071 0.0949 566 SER A O 4012 C CB . SER A 504 ? 0.5020 0.8226 0.7780 -0.0894 0.1724 -0.0126 566 SER A CB 4013 O OG . SER A 504 ? 0.4514 0.8370 0.8582 -0.1109 0.1964 0.0202 566 SER A OG 4014 N N . GLU A 505 ? 0.4865 0.7362 0.8464 -0.1707 0.0272 -0.0826 567 GLU A N 4015 C CA . GLU A 505 ? 0.4861 0.7683 0.9297 -0.2442 0.1109 -0.0149 567 GLU A CA 4016 C C . GLU A 505 ? 0.5470 0.6851 0.9210 -0.2076 0.0158 -0.1333 567 GLU A C 4017 O O . GLU A 505 ? 0.7366 0.6887 0.9112 -0.2692 0.0182 -0.0425 567 GLU A O 4018 C CB . GLU A 505 ? 0.5081 0.8214 0.9339 -0.2048 0.1000 -0.0421 567 GLU A CB 4019 C CG . GLU A 505 ? 0.5443 0.9025 1.0206 -0.1447 0.0306 -0.0645 567 GLU A CG 4020 C CD . GLU A 505 ? 0.5454 1.2136 1.1330 -0.1461 0.0286 -0.1814 567 GLU A CD 4021 O OE1 . GLU A 505 ? 0.7906 1.0764 1.1068 -0.1620 0.0051 -0.1764 567 GLU A OE1 4022 O OE2 . GLU A 505 ? 0.8017 1.3664 1.3317 -0.1871 0.3370 -0.0586 567 GLU A OE2 4023 N N . SER A 506 ? 0.4907 0.7466 0.7822 -0.1784 0.0205 -0.0514 568 SER A N 4024 C CA . SER A 506 ? 0.4910 0.7729 0.7625 -0.1581 0.0728 -0.0456 568 SER A CA 4025 C C . SER A 506 ? 0.6057 0.6652 0.7646 -0.1807 -0.0079 -0.1052 568 SER A C 4026 O O . SER A 506 ? 0.6473 0.8707 0.7933 -0.0779 0.1305 -0.1023 568 SER A O 4027 C CB . SER A 506 ? 0.5862 0.6921 0.8058 -0.1328 0.1192 0.1182 568 SER A CB 4028 O OG . SER A 506 ? 0.7152 0.7432 0.7875 -0.1165 0.1502 0.0267 568 SER A OG 4029 N N . ASN A 507 ? 0.5394 0.6321 0.7382 -0.2128 -0.0069 -0.0690 569 ASN A N 4030 C CA . ASN A 507 ? 0.5856 0.6631 0.7548 -0.2920 -0.1049 -0.0479 569 ASN A CA 4031 C C . ASN A 507 ? 0.5825 0.6401 0.6649 -0.2808 0.0138 -0.0549 569 ASN A C 4032 O O . ASN A 507 ? 0.6062 0.6517 0.6111 -0.1676 -0.0034 -0.0936 569 ASN A O 4033 C CB . ASN A 507 ? 0.6342 0.6715 0.9070 -0.3168 -0.0951 -0.1328 569 ASN A CB 4034 C CG . ASN A 507 ? 0.6806 0.9578 0.8635 -0.2921 0.0874 -0.0043 569 ASN A CG 4035 O OD1 . ASN A 507 ? 0.8600 0.9630 0.7951 -0.1553 0.1685 0.1220 569 ASN A OD1 4036 N ND2 . ASN A 507 ? 0.9937 1.0911 1.0901 -0.3498 -0.0504 -0.1348 569 ASN A ND2 4037 N N . VAL A 508 ? 0.5465 0.6839 0.5566 -0.2328 0.0521 -0.0064 570 VAL A N 4038 C CA . VAL A 508 ? 0.5107 0.5442 0.6144 -0.2138 0.0971 -0.0377 570 VAL A CA 4039 C C . VAL A 508 ? 0.6198 0.5935 0.5421 -0.1780 0.0934 -0.0158 570 VAL A C 4040 O O . VAL A 508 ? 0.5740 0.5565 0.6872 -0.2136 0.1639 0.0143 570 VAL A O 4041 C CB . VAL A 508 ? 0.5578 0.6064 0.5324 -0.1593 0.0575 -0.0338 570 VAL A CB 4042 C CG1 . VAL A 508 ? 0.5621 0.6642 0.5955 -0.2018 0.0557 -0.0307 570 VAL A CG1 4043 C CG2 . VAL A 508 ? 0.5514 0.6262 0.5238 -0.0711 0.0627 -0.0617 570 VAL A CG2 4044 N N . THR A 509 ? 0.5308 0.5354 0.5627 -0.2454 0.0864 0.0100 571 THR A N 4045 C CA . THR A 509 ? 0.5980 0.5513 0.6127 -0.1804 0.0653 -0.0163 571 THR A CA 4046 C C . THR A 509 ? 0.6338 0.4289 0.5543 -0.1714 0.0174 -0.0376 571 THR A C 4047 O O . THR A 509 ? 0.6322 0.4707 0.6300 -0.2364 0.0670 0.0963 571 THR A O 4048 C CB . THR A 509 ? 0.6535 0.5639 0.6246 -0.1735 0.0555 -0.0237 571 THR A CB 4049 O OG1 . THR A 509 ? 0.7314 0.5999 0.6076 -0.1842 0.0557 0.0020 571 THR A OG1 4050 C CG2 . THR A 509 ? 0.7062 0.6790 0.7348 -0.1248 -0.0790 -0.0717 571 THR A CG2 4051 N N . ARG A 510 ? 0.5677 0.5113 0.4801 -0.1800 0.0606 0.0131 572 ARG A N 4052 C CA . ARG A 510 ? 0.5585 0.5033 0.5116 -0.1301 0.0652 0.0143 572 ARG A CA 4053 C C . ARG A 510 ? 0.5863 0.4953 0.4955 -0.1607 0.1168 0.0304 572 ARG A C 4054 O O . ARG A 510 ? 0.5786 0.5279 0.5445 -0.1440 0.0943 -0.0244 572 ARG A O 4055 C CB . ARG A 510 ? 0.5721 0.4964 0.5089 -0.1737 0.0526 -0.0321 572 ARG A CB 4056 C CG . ARG A 510 ? 0.5962 0.5128 0.5125 -0.1393 0.0543 0.0369 572 ARG A CG 4057 C CD . ARG A 510 ? 0.5800 0.4592 0.4832 -0.1070 0.0446 -0.0076 572 ARG A CD 4058 N NE . ARG A 510 ? 0.5268 0.4051 0.4729 -0.1146 0.0618 -0.0147 572 ARG A NE 4059 C CZ . ARG A 510 ? 0.5648 0.3972 0.4551 -0.1060 0.0288 -0.0510 572 ARG A CZ 4060 N NH1 . ARG A 510 ? 0.5055 0.4160 0.4122 -0.0791 0.0958 -0.0133 572 ARG A NH1 4061 N NH2 . ARG A 510 ? 0.6286 0.4316 0.4658 -0.1042 0.0334 -0.0440 572 ARG A NH2 4062 N N . SER A 511 ? 0.5591 0.5059 0.5195 -0.1249 0.1270 -0.0065 573 SER A N 4063 C CA . SER A 511 ? 0.5874 0.6136 0.5165 -0.1371 0.0056 0.0340 573 SER A CA 4064 C C . SER A 511 ? 0.6336 0.4835 0.4617 -0.0998 0.0726 0.0085 573 SER A C 4065 O O . SER A 511 ? 0.5973 0.5484 0.4954 -0.2031 0.0478 0.0247 573 SER A O 4066 C CB . SER A 511 ? 0.7012 0.5009 0.6043 -0.1218 0.1169 -0.0332 573 SER A CB 4067 O OG . SER A 511 ? 0.7206 0.6949 0.7594 -0.0073 0.0022 -0.0552 573 SER A OG 4068 N N . SER A 512 ? 0.5876 0.5854 0.4182 -0.1105 0.1925 0.0319 574 SER A N 4069 C CA . SER A 512 ? 0.5832 0.5826 0.4834 -0.1099 0.1229 0.0426 574 SER A CA 4070 C C . SER A 512 ? 0.5734 0.5745 0.3928 -0.1383 0.1386 -0.0388 574 SER A C 4071 O O . SER A 512 ? 0.5621 0.5042 0.4319 -0.1383 0.0842 0.1051 574 SER A O 4072 C CB . SER A 512 ? 0.5794 0.5676 0.5098 -0.1253 0.0820 0.0327 574 SER A CB 4073 O OG . SER A 512 ? 0.5994 0.5541 0.4552 -0.1380 0.1275 0.0142 574 SER A OG 4074 N N . ALA A 513 ? 0.6063 0.6195 0.4516 -0.0802 0.1048 -0.0316 575 ALA A N 4075 C CA . ALA A 513 ? 0.6203 0.7132 0.4926 -0.0484 0.0736 -0.0401 575 ALA A CA 4076 C C . ALA A 513 ? 0.6608 0.6751 0.3848 -0.0651 0.0705 0.0161 575 ALA A C 4077 O O . ALA A 513 ? 0.7231 0.6711 0.4063 -0.0503 0.0589 0.0875 575 ALA A O 4078 C CB . ALA A 513 ? 0.6467 0.6161 0.5111 -0.2081 0.0265 -0.0820 575 ALA A CB 4079 N N . PHE A 514 ? 0.5954 0.5165 0.4503 -0.1626 0.1052 -0.0135 576 PHE A N 4080 C CA . PHE A 514 ? 0.5809 0.6176 0.4608 -0.0758 0.1046 0.0108 576 PHE A CA 4081 C C . PHE A 514 ? 0.5607 0.6438 0.4824 -0.1011 0.0942 -0.0383 576 PHE A C 4082 O O . PHE A 514 ? 0.6007 0.6851 0.3865 -0.0545 0.1487 0.0099 576 PHE A O 4083 C CB . PHE A 514 ? 0.5568 0.5405 0.3448 -0.0498 0.0254 -0.0541 576 PHE A CB 4084 C CG . PHE A 514 ? 0.5772 0.5221 0.3823 -0.1734 0.1156 -0.0018 576 PHE A CG 4085 C CD1 . PHE A 514 ? 0.5788 0.5611 0.4431 -0.0514 0.1043 -0.0395 576 PHE A CD1 4086 C CD2 . PHE A 514 ? 0.5778 0.5100 0.2854 -0.0872 0.0630 -0.0217 576 PHE A CD2 4087 C CE1 . PHE A 514 ? 0.5946 0.5411 0.4336 -0.1288 0.0952 -0.0005 576 PHE A CE1 4088 C CE2 . PHE A 514 ? 0.5709 0.6092 0.3646 -0.1075 0.0874 0.0351 576 PHE A CE2 4089 C CZ . PHE A 514 ? 0.5404 0.5708 0.3751 -0.1196 0.0713 -0.0317 576 PHE A CZ 4090 N N . ASP A 515 ? 0.5550 0.5890 0.4610 -0.1573 0.1054 0.0262 577 ASP A N 4091 C CA . ASP A 515 ? 0.5767 0.6600 0.5318 -0.1152 0.1430 0.0565 577 ASP A CA 4092 C C . ASP A 515 ? 0.5236 0.6501 0.4740 -0.1208 0.1334 0.0474 577 ASP A C 4093 O O . ASP A 515 ? 0.4840 0.6145 0.4259 -0.1600 0.1500 0.0606 577 ASP A O 4094 C CB . ASP A 515 ? 0.6192 0.7110 0.5009 -0.1568 0.1105 0.0740 577 ASP A CB 4095 C CG . ASP A 515 ? 0.8537 0.7338 0.5089 -0.0833 0.0581 0.0023 577 ASP A CG 4096 O OD1 . ASP A 515 ? 0.7804 0.6356 0.6848 -0.2033 0.1104 0.0112 577 ASP A OD1 4097 O OD2 . ASP A 515 ? 0.7790 0.8637 0.5535 -0.0477 0.0399 0.1421 577 ASP A OD2 4098 N N . TYR A 516 ? 0.5356 0.6021 0.4123 -0.1891 0.0747 -0.0161 578 TYR A N 4099 C CA . TYR A 516 ? 0.5093 0.5737 0.4902 -0.1616 0.1333 -0.0363 578 TYR A CA 4100 C C . TYR A 516 ? 0.5117 0.6450 0.4772 -0.0987 0.1387 -0.0381 578 TYR A C 4101 O O . TYR A 516 ? 0.4254 0.6223 0.5137 -0.1823 0.1615 -0.0279 578 TYR A O 4102 C CB . TYR A 516 ? 0.5068 0.6066 0.4071 -0.0916 0.1505 0.0231 578 TYR A CB 4103 C CG . TYR A 516 ? 0.4946 0.5880 0.4015 -0.1581 0.1403 0.0061 578 TYR A CG 4104 C CD1 . TYR A 516 ? 0.4150 0.5364 0.3938 -0.1827 0.0895 -0.0188 578 TYR A CD1 4105 C CD2 . TYR A 516 ? 0.5372 0.5855 0.3992 -0.1332 0.0650 -0.0305 578 TYR A CD2 4106 C CE1 . TYR A 516 ? 0.5083 0.4861 0.3487 -0.1357 0.0958 0.0189 578 TYR A CE1 4107 C CE2 . TYR A 516 ? 0.4476 0.5244 0.4724 -0.0764 0.1328 0.0169 578 TYR A CE2 4108 C CZ . TYR A 516 ? 0.5248 0.5161 0.4038 -0.1703 0.0794 -0.0041 578 TYR A CZ 4109 O OH . TYR A 516 ? 0.4879 0.4720 0.4167 -0.1459 0.0765 -0.0175 578 TYR A OH 4110 N N . LEU A 517 ? 0.4822 0.6070 0.3881 -0.1442 0.2036 0.0066 579 LEU A N 4111 C CA . LEU A 517 ? 0.4822 0.6329 0.3937 -0.1228 0.1423 -0.0391 579 LEU A CA 4112 C C . LEU A 517 ? 0.5102 0.6438 0.3281 -0.0992 0.2050 -0.0372 579 LEU A C 4113 O O . LEU A 517 ? 0.4581 0.6180 0.3507 -0.1107 0.1177 -0.0035 579 LEU A O 4114 C CB . LEU A 517 ? 0.4831 0.6796 0.4262 -0.0907 0.2017 -0.0228 579 LEU A CB 4115 C CG . LEU A 517 ? 0.5216 0.6583 0.4979 -0.1297 0.2125 0.0070 579 LEU A CG 4116 C CD1 . LEU A 517 ? 0.5668 0.7743 0.4893 -0.0912 0.2189 0.0294 579 LEU A CD1 4117 C CD2 . LEU A 517 ? 0.5284 0.6521 0.5004 -0.1004 0.1793 0.0358 579 LEU A CD2 4118 N N . TRP A 518 ? 0.4733 0.6260 0.3333 -0.1123 0.1850 -0.0285 580 TRP A N 4119 C CA . TRP A 518 ? 0.4268 0.5944 0.3785 -0.0791 0.0864 -0.0751 580 TRP A CA 4120 C C . TRP A 518 ? 0.4665 0.6188 0.3721 -0.0721 0.1596 -0.0956 580 TRP A C 4121 O O . TRP A 518 ? 0.4702 0.5943 0.3189 -0.0274 0.1416 -0.0656 580 TRP A O 4122 C CB . TRP A 518 ? 0.4123 0.5759 0.3918 -0.0682 0.1533 -0.0482 580 TRP A CB 4123 C CG . TRP A 518 ? 0.4512 0.5503 0.3963 -0.0915 0.1293 -0.0425 580 TRP A CG 4124 C CD1 . TRP A 518 ? 0.4359 0.5580 0.3729 0.0086 0.1078 -0.0943 580 TRP A CD1 4125 C CD2 . TRP A 518 ? 0.4413 0.5251 0.4038 -0.0746 0.1006 -0.0486 580 TRP A CD2 4126 N NE1 . TRP A 518 ? 0.4164 0.5560 0.3323 -0.0451 0.1134 -0.0639 580 TRP A NE1 4127 C CE2 . TRP A 518 ? 0.4210 0.5537 0.3400 -0.0918 0.0774 -0.0017 580 TRP A CE2 4128 C CE3 . TRP A 518 ? 0.4612 0.5625 0.3755 -0.1142 0.1442 -0.0661 580 TRP A CE3 4129 C CZ2 . TRP A 518 ? 0.4488 0.4469 0.4291 -0.1319 0.1042 -0.0676 580 TRP A CZ2 4130 C CZ3 . TRP A 518 ? 0.4504 0.6134 0.4229 -0.1480 0.1317 -0.0785 580 TRP A CZ3 4131 C CH2 . TRP A 518 ? 0.4510 0.5039 0.4224 -0.1383 0.1396 -0.0464 580 TRP A CH2 4132 N N . ILE A 519 ? 0.4631 0.6730 0.3599 -0.0497 0.1195 -0.0872 581 ILE A N 4133 C CA . ILE A 519 ? 0.4772 0.6345 0.2923 -0.0283 0.1595 -0.0738 581 ILE A CA 4134 C C . ILE A 519 ? 0.4181 0.6501 0.3729 -0.0614 0.1651 -0.0669 581 ILE A C 4135 O O . ILE A 519 ? 0.4502 0.6005 0.3111 -0.1014 0.1624 -0.1365 581 ILE A O 4136 C CB . ILE A 519 ? 0.4730 0.6209 0.3332 -0.0527 0.1441 -0.0772 581 ILE A CB 4137 C CG1 . ILE A 519 ? 0.4353 0.6076 0.3661 -0.0974 0.1055 -0.0883 581 ILE A CG1 4138 C CG2 . ILE A 519 ? 0.4655 0.5478 0.3489 -0.0358 0.1424 -0.0605 581 ILE A CG2 4139 C CD1 . ILE A 519 ? 0.5028 0.4895 0.3818 -0.0270 0.1114 -0.0649 581 ILE A CD1 4140 N N . VAL A 520 ? 0.4656 0.5894 0.3726 -0.0740 0.1576 -0.0990 582 VAL A N 4141 C CA . VAL A 520 ? 0.4380 0.6313 0.3773 -0.0193 0.1196 -0.1263 582 VAL A CA 4142 C C . VAL A 520 ? 0.3780 0.6151 0.3777 0.0374 0.0972 -0.1210 582 VAL A C 4143 O O . VAL A 520 ? 0.4561 0.6681 0.3904 -0.0078 0.1414 -0.1394 582 VAL A O 4144 C CB . VAL A 520 ? 0.4266 0.6622 0.3458 0.0071 0.1426 -0.1546 582 VAL A CB 4145 C CG1 . VAL A 520 ? 0.4386 0.6397 0.4231 0.0213 0.1556 -0.0934 582 VAL A CG1 4146 C CG2 . VAL A 520 ? 0.4614 0.6585 0.3557 -0.0232 0.1887 -0.1685 582 VAL A CG2 4147 N N . PRO A 521 ? 0.4389 0.6084 0.3127 0.0165 0.1294 -0.1299 583 PRO A N 4148 C CA . PRO A 521 ? 0.4345 0.6075 0.3127 -0.0005 0.1580 -0.1207 583 PRO A CA 4149 C C . PRO A 521 ? 0.4514 0.6272 0.4290 -0.0145 0.0994 -0.1305 583 PRO A C 4150 O O . PRO A 521 ? 0.4580 0.6905 0.3942 0.0429 0.1831 -0.1343 583 PRO A O 4151 C CB . PRO A 521 ? 0.3806 0.5901 0.3887 -0.0225 0.1126 -0.1529 583 PRO A CB 4152 C CG . PRO A 521 ? 0.4072 0.5933 0.3468 -0.0527 0.1276 -0.1204 583 PRO A CG 4153 C CD . PRO A 521 ? 0.3790 0.5927 0.3708 -0.0132 0.1578 -0.1253 583 PRO A CD 4154 N N . ILE A 522 ? 0.4399 0.6577 0.3996 -0.0311 0.1119 -0.1188 584 ILE A N 4155 C CA . ILE A 522 ? 0.4832 0.6612 0.4008 0.0243 0.1514 -0.1836 584 ILE A CA 4156 C C . ILE A 522 ? 0.5893 0.6631 0.4246 0.0278 0.1156 -0.1940 584 ILE A C 4157 O O . ILE A 522 ? 0.5054 0.6423 0.4259 0.0404 0.2025 -0.1897 584 ILE A O 4158 C CB . ILE A 522 ? 0.4430 0.7253 0.4992 0.0269 0.1652 -0.1910 584 ILE A CB 4159 C CG1 . ILE A 522 ? 0.4870 0.6531 0.5444 0.0630 0.1624 -0.1138 584 ILE A CG1 4160 C CG2 . ILE A 522 ? 0.4854 0.7067 0.5568 0.0311 0.0747 -0.1551 584 ILE A CG2 4161 C CD1 . ILE A 522 ? 0.5119 0.6533 0.5429 0.0575 0.1306 -0.0699 584 ILE A CD1 4162 N N . SER A 523 ? 0.4948 0.6395 0.4435 -0.0060 0.1858 -0.2086 585 SER A N 4163 C CA . SER A 523 ? 0.5502 0.6454 0.4182 0.0397 0.0912 -0.2372 585 SER A CA 4164 C C . SER A 523 ? 0.5364 0.6738 0.4891 0.0319 0.1524 -0.2356 585 SER A C 4165 O O . SER A 523 ? 0.5069 0.6861 0.4081 0.0803 0.1731 -0.2091 585 SER A O 4166 C CB . SER A 523 ? 0.5335 0.5583 0.4983 0.0518 0.0688 -0.2011 585 SER A CB 4167 O OG . SER A 523 ? 0.5008 0.6515 0.4563 0.0284 0.1399 -0.1876 585 SER A OG 4168 N N . SER A 524 ? 0.5708 0.6943 0.5287 0.0978 0.1690 -0.2215 586 SER A N 4169 C CA . SER A 524 ? 0.5520 0.6889 0.5281 0.0371 0.1014 -0.2234 586 SER A CA 4170 C C . SER A 524 ? 0.5715 0.6585 0.5240 0.0603 0.1266 -0.2084 586 SER A C 4171 O O . SER A 524 ? 0.6338 0.6811 0.5696 0.0543 0.0681 -0.2060 586 SER A O 4172 C CB . SER A 524 ? 0.5874 0.7538 0.5208 -0.0115 0.1235 -0.2158 586 SER A CB 4173 O OG . SER A 524 ? 0.6010 0.7294 0.4950 0.1031 0.1484 -0.2370 586 SER A OG 4174 N N . ILE A 525 ? 0.5653 0.7401 0.5070 0.0937 0.1155 -0.2325 587 ILE A N 4175 C CA . ILE A 525 ? 0.6725 0.7460 0.6535 0.0666 0.0569 -0.2430 587 ILE A CA 4176 C C . ILE A 525 ? 0.7390 0.7104 0.5667 0.0185 0.0968 -0.4444 587 ILE A C 4177 O O . ILE A 525 ? 0.5345 0.7820 0.6247 0.0492 0.1104 -0.3065 587 ILE A O 4178 C CB . ILE A 525 ? 0.6820 0.7169 0.6715 0.0778 0.0252 -0.1851 587 ILE A CB 4179 C CG1 . ILE A 525 ? 0.8759 0.8118 0.6825 -0.0292 0.0372 -0.3065 587 ILE A CG1 4180 C CG2 . ILE A 525 ? 0.5256 0.8004 0.7078 0.0917 0.1222 -0.2796 587 ILE A CG2 4181 C CD1 . ILE A 525 ? 0.9886 1.0878 0.7682 0.0166 0.1356 -0.2189 587 ILE A CD1 4182 N N . LYS A 526 ? 0.8363 0.7555 0.5615 0.1209 0.1152 -0.4287 588 LYS A N 4183 C CA . LYS A 526 ? 0.7569 0.8918 0.8308 0.0550 0.1329 -0.1565 588 LYS A CA 4184 C C . LYS A 526 ? 0.6951 0.9477 0.6780 0.1505 0.2056 -0.2531 588 LYS A C 4185 O O . LYS A 526 ? 0.8243 0.8447 0.8685 0.2190 0.1472 -0.3216 588 LYS A O 4186 C CB . LYS A 526 ? 0.8278 0.8811 0.7176 0.1200 0.0974 -0.2815 588 LYS A CB 4187 C CG . LYS A 526 ? 0.8346 0.9340 0.8258 0.1054 0.1137 -0.1235 588 LYS A CG 4188 C CD . LYS A 526 ? 0.8851 0.8732 0.7771 0.1915 0.1790 -0.2364 588 LYS A CD 4189 C CE . LYS A 526 ? 0.9107 1.0608 0.8589 -0.0770 0.0669 -0.2441 588 LYS A CE 4190 N NZ . LYS A 526 ? 1.0140 0.9161 0.8238 0.0177 0.2783 -0.2036 588 LYS A NZ 4191 N N . ASN A 527 ? 0.6802 0.9531 0.6477 0.1806 0.2195 -0.2637 589 ASN A N 4192 C CA . ASN A 527 ? 0.8156 0.9327 0.7602 0.1582 0.1956 -0.3276 589 ASN A CA 4193 C C . ASN A 527 ? 0.8669 0.8708 0.8698 0.1805 0.2053 -0.2758 589 ASN A C 4194 O O . ASN A 527 ? 0.8719 0.8263 1.0479 0.1558 0.0385 -0.2079 589 ASN A O 4195 C CB . ASN A 527 ? 0.9247 0.9081 0.8193 0.2594 0.2368 -0.3174 589 ASN A CB 4196 C CG . ASN A 527 ? 0.7775 1.1987 0.7770 0.2339 0.1938 -0.3058 589 ASN A CG 4197 O OD1 . ASN A 527 ? 0.8065 1.2764 0.9510 0.0573 0.1969 -0.2732 589 ASN A OD1 4198 N ND2 . ASN A 527 ? 1.0416 1.1599 0.7883 0.0922 -0.1075 -0.3041 589 ASN A ND2 4199 N N . GLY A 528 ? 0.7379 0.7990 0.6973 0.1181 0.0720 -0.2870 590 GLY A N 4200 C CA . GLY A 528 ? 0.7810 0.8300 0.6746 0.1444 0.1123 -0.2965 590 GLY A CA 4201 C C . GLY A 528 ? 0.7421 0.7728 0.9042 0.1108 0.0691 -0.1927 590 GLY A C 4202 O O . GLY A 528 ? 0.8607 0.7667 0.9610 0.0490 0.0684 -0.1788 590 GLY A O 4203 N N . VAL A 529 ? 0.8152 0.7436 0.6794 0.1585 0.1413 -0.3944 591 VAL A N 4204 C CA . VAL A 529 ? 0.7768 0.7287 0.6837 0.0145 0.1377 -0.2409 591 VAL A CA 4205 C C . VAL A 529 ? 0.7549 0.8278 0.5315 0.0833 0.0091 -0.2669 591 VAL A C 4206 O O . VAL A 529 ? 0.8127 0.7887 0.6108 0.1400 0.1564 -0.3626 591 VAL A O 4207 C CB . VAL A 529 ? 0.7820 0.7997 0.7159 0.0612 0.0445 -0.3454 591 VAL A CB 4208 C CG1 . VAL A 529 ? 0.7388 0.7620 0.7450 0.2111 0.0856 -0.2735 591 VAL A CG1 4209 C CG2 . VAL A 529 ? 0.7842 0.8528 0.7374 0.1556 0.1448 -0.2710 591 VAL A CG2 4210 N N . MET A 530 ? 0.7744 0.7208 0.5841 0.0548 0.0468 -0.2141 592 MET A N 4211 C CA . MET A 530 ? 0.7855 0.8024 0.6566 0.1274 0.0780 -0.2880 592 MET A CA 4212 C C . MET A 530 ? 0.8063 0.7856 0.6403 0.0387 0.0120 -0.3103 592 MET A C 4213 O O . MET A 530 ? 0.8573 0.7251 0.6813 0.0728 0.1660 -0.3319 592 MET A O 4214 C CB . MET A 530 ? 0.8620 0.8976 0.7019 0.0420 0.0824 -0.2643 592 MET A CB 4215 C CG . MET A 530 ? 0.8209 0.7996 0.7003 0.0014 0.1823 -0.3525 592 MET A CG 4216 S SD . MET A 530 ? 0.8769 0.7973 0.7290 0.1208 0.0955 -0.3756 592 MET A SD 4217 C CE . MET A 530 ? 0.8678 0.8072 0.5051 0.0594 -0.0101 -0.3162 592 MET A CE 4218 N N . GLN A 531 ? 0.5454 0.7992 0.6602 0.1497 0.0296 -0.2828 593 GLN A N 4219 C CA . GLN A 531 ? 0.7568 0.7531 0.5819 0.1315 -0.0300 -0.3693 593 GLN A CA 4220 C C . GLN A 531 ? 0.6844 0.7617 0.6593 0.1035 0.1243 -0.1865 593 GLN A C 4221 O O . GLN A 531 ? 0.7069 0.7215 0.6508 0.0933 0.1154 -0.3114 593 GLN A O 4222 C CB . GLN A 531 ? 0.8573 0.6983 0.6572 0.1681 -0.0162 -0.3290 593 GLN A CB 4223 C CG . GLN A 531 ? 0.6125 0.8956 0.6924 0.0000 -0.0162 -0.3792 593 GLN A CG 4224 C CD . GLN A 531 ? 0.6943 0.9187 0.5563 0.1096 0.2106 -0.2838 593 GLN A CD 4225 O OE1 . GLN A 531 ? 0.8113 0.9672 0.4626 0.0668 0.2038 -0.3027 593 GLN A OE1 4226 N NE2 . GLN A 531 ? 0.6296 0.8723 0.6693 0.1474 0.1350 -0.2898 593 GLN A NE2 4227 N N . ASP A 532 ? 0.6430 0.8924 0.4937 0.0846 0.0751 -0.3258 594 ASP A N 4228 C CA . ASP A 532 ? 0.7646 0.7122 0.5759 0.0897 0.0561 -0.3175 594 ASP A CA 4229 C C . ASP A 532 ? 0.6512 0.7290 0.5036 0.0794 -0.0099 -0.3059 594 ASP A C 4230 O O . ASP A 532 ? 0.5702 0.7373 0.5490 0.1191 0.1069 -0.2736 594 ASP A O 4231 C CB . ASP A 532 ? 0.6955 0.7574 0.5797 0.1404 -0.0020 -0.2768 594 ASP A CB 4232 C CG . ASP A 532 ? 0.8585 0.8749 0.5688 0.0690 -0.0251 -0.2924 594 ASP A CG 4233 O OD1 . ASP A 532 ? 0.9795 0.8471 0.7542 0.0322 -0.0314 -0.3998 594 ASP A OD1 4234 O OD2 . ASP A 532 ? 1.0403 0.9351 0.5359 0.2362 0.0785 -0.3219 594 ASP A OD2 4235 N N . HIS A 533 ? 0.6450 0.6841 0.5767 0.0138 0.1331 -0.2198 595 HIS A N 4236 C CA . HIS A 533 ? 0.6430 0.7487 0.4377 -0.0267 0.1068 -0.2265 595 HIS A CA 4237 C C . HIS A 533 ? 0.6748 0.7765 0.4535 -0.0678 0.0763 -0.1837 595 HIS A C 4238 O O . HIS A 533 ? 0.6374 0.8045 0.4079 -0.0136 0.1756 -0.2407 595 HIS A O 4239 C CB . HIS A 533 ? 0.5823 0.6472 0.4956 -0.0466 0.0758 -0.2659 595 HIS A CB 4240 C CG . HIS A 533 ? 0.5904 0.7003 0.4212 0.0262 0.1356 -0.2157 595 HIS A CG 4241 N ND1 . HIS A 533 ? 0.5599 0.6879 0.4360 0.0098 0.0188 -0.2243 595 HIS A ND1 4242 C CD2 . HIS A 533 ? 0.5653 0.7265 0.4615 0.0719 0.0505 -0.2210 595 HIS A CD2 4243 C CE1 . HIS A 533 ? 0.4810 0.6034 0.4870 0.0662 0.1124 -0.2185 595 HIS A CE1 4244 N NE2 . HIS A 533 ? 0.5482 0.6190 0.4117 -0.0419 0.1934 -0.1061 595 HIS A NE2 4245 N N . TYR A 534 ? 0.5955 0.7643 0.4236 0.0305 0.1216 -0.2147 596 TYR A N 4246 C CA . TYR A 534 ? 0.5803 0.7144 0.4469 0.0405 0.0592 -0.2067 596 TYR A CA 4247 C C . TYR A 534 ? 0.5520 0.7308 0.4432 0.0240 0.0838 -0.1906 596 TYR A C 4248 O O . TYR A 534 ? 0.6311 0.7019 0.4326 0.0562 0.2003 -0.2058 596 TYR A O 4249 C CB . TYR A 534 ? 0.6121 0.7449 0.4548 0.0433 0.1782 -0.1348 596 TYR A CB 4250 C CG . TYR A 534 ? 0.5923 0.7737 0.4755 -0.0269 0.1367 -0.1608 596 TYR A CG 4251 C CD1 . TYR A 534 ? 0.5689 0.8354 0.4947 0.0858 0.1695 -0.1547 596 TYR A CD1 4252 C CD2 . TYR A 534 ? 0.4506 0.8430 0.4021 0.0700 0.1717 -0.2118 596 TYR A CD2 4253 C CE1 . TYR A 534 ? 0.4808 0.9173 0.4560 0.0248 0.1945 -0.1921 596 TYR A CE1 4254 C CE2 . TYR A 534 ? 0.5363 0.8587 0.4594 0.0867 0.1676 -0.1693 596 TYR A CE2 4255 C CZ . TYR A 534 ? 0.5449 0.7917 0.4820 0.0208 0.1693 -0.1266 596 TYR A CZ 4256 O OH . TYR A 534 ? 0.6306 0.8961 0.3334 -0.0149 0.2256 -0.1222 596 TYR A OH 4257 N N . TRP A 535 ? 0.4746 0.7509 0.4402 0.0357 0.1135 -0.1562 597 TRP A N 4258 C CA . TRP A 535 ? 0.5338 0.7143 0.4050 0.0033 0.1842 -0.1321 597 TRP A CA 4259 C C . TRP A 535 ? 0.4715 0.7404 0.4022 0.0176 0.1603 -0.1605 597 TRP A C 4260 O O . TRP A 535 ? 0.5425 0.7050 0.4111 -0.0635 0.1785 -0.1435 597 TRP A O 4261 C CB . TRP A 535 ? 0.5250 0.7164 0.3736 0.0067 0.1743 -0.1997 597 TRP A CB 4262 C CG . TRP A 535 ? 0.5620 0.6704 0.3789 0.0007 0.1869 -0.2115 597 TRP A CG 4263 C CD1 . TRP A 535 ? 0.5210 0.7461 0.4032 -0.0235 0.1314 -0.1787 597 TRP A CD1 4264 C CD2 . TRP A 535 ? 0.4377 0.6952 0.3028 0.0189 0.1234 -0.1327 597 TRP A CD2 4265 N NE1 . TRP A 535 ? 0.5215 0.7181 0.4015 -0.0220 0.1411 -0.1949 597 TRP A NE1 4266 C CE2 . TRP A 535 ? 0.5208 0.5912 0.3247 0.0529 0.1463 -0.1039 597 TRP A CE2 4267 C CE3 . TRP A 535 ? 0.4938 0.5819 0.3593 -0.0664 0.1556 -0.0884 597 TRP A CE3 4268 C CZ2 . TRP A 535 ? 0.4347 0.6353 0.3217 -0.0252 0.1062 -0.1159 597 TRP A CZ2 4269 C CZ3 . TRP A 535 ? 0.4459 0.6135 0.3750 0.0160 0.1246 -0.1214 597 TRP A CZ3 4270 C CH2 . TRP A 535 ? 0.4801 0.5397 0.4097 0.0260 0.1235 -0.1194 597 TRP A CH2 4271 N N . LEU A 536 ? 0.4728 0.7233 0.3929 0.0611 0.1729 -0.1717 598 LEU A N 4272 C CA . LEU A 536 ? 0.5369 0.7450 0.4190 0.0446 0.1747 -0.1014 598 LEU A CA 4273 C C . LEU A 536 ? 0.5280 0.7337 0.3694 0.0337 0.1996 -0.0412 598 LEU A C 4274 O O . LEU A 536 ? 0.4918 0.6363 0.3313 -0.0416 0.1730 -0.0707 598 LEU A O 4275 C CB . LEU A 536 ? 0.5225 0.7196 0.3831 -0.0179 0.1785 -0.0826 598 LEU A CB 4276 C CG . LEU A 536 ? 0.5471 0.7484 0.4083 -0.0462 0.1761 -0.0831 598 LEU A CG 4277 C CD1 . LEU A 536 ? 0.5373 0.8170 0.4280 -0.0858 0.2045 -0.0236 598 LEU A CD1 4278 C CD2 . LEU A 536 ? 0.4307 0.7084 0.4234 -0.0638 0.1901 0.0024 598 LEU A CD2 4279 N N . ARG A 537 ? 0.5386 0.7741 0.3088 -0.0194 0.2173 -0.0486 599 ARG A N 4280 C CA . ARG A 537 ? 0.5486 0.7762 0.3769 -0.0087 0.1377 -0.0578 599 ARG A CA 4281 C C . ARG A 537 ? 0.5275 0.7790 0.4275 -0.0341 0.1706 -0.0554 599 ARG A C 4282 O O . ARG A 537 ? 0.5044 0.6817 0.4250 -0.0134 0.1698 -0.0552 599 ARG A O 4283 C CB . ARG A 537 ? 0.6327 0.8796 0.3696 0.0430 0.1621 -0.0813 599 ARG A CB 4284 C CG . ARG A 537 ? 0.6552 0.9699 0.4250 -0.0081 0.1291 -0.0798 599 ARG A CG 4285 C CD . ARG A 537 ? 0.7423 0.9983 0.4472 -0.1160 0.1543 -0.1326 599 ARG A CD 4286 N NE . ARG A 537 ? 0.7480 1.0688 0.7837 -0.0712 -0.0387 -0.2291 599 ARG A NE 4287 C CZ . ARG A 537 ? 0.6834 0.9658 0.5986 -0.0518 0.1508 -0.2666 599 ARG A CZ 4288 N NH1 . ARG A 537 ? 0.7944 0.9115 0.6966 0.0057 0.1314 0.0286 599 ARG A NH1 4289 N NH2 . ARG A 537 ? 0.9663 0.9585 0.6334 -0.0890 0.2249 -0.3050 599 ARG A NH2 4290 N N . ASP A 538 ? 0.5282 0.7824 0.3747 -0.1044 0.1532 0.0175 600 ASP A N 4291 C CA . ASP A 538 ? 0.6246 0.7329 0.4395 -0.0624 0.2043 -0.0341 600 ASP A CA 4292 C C . ASP A 538 ? 0.6279 0.7862 0.5042 -0.0676 0.2611 -0.0045 600 ASP A C 4293 O O . ASP A 538 ? 0.5762 0.8097 0.6116 -0.0759 0.2691 0.0292 600 ASP A O 4294 C CB . ASP A 538 ? 0.5913 0.8096 0.4465 0.0160 0.1856 0.0231 600 ASP A CB 4295 C CG . ASP A 538 ? 0.6882 0.8122 0.4637 -0.0103 0.0786 -0.0716 600 ASP A CG 4296 O OD1 . ASP A 538 ? 0.7955 0.9059 0.5615 0.0248 0.1611 -0.1650 600 ASP A OD1 4297 O OD2 . ASP A 538 ? 0.6136 0.8227 0.6035 0.0161 0.2465 -0.0149 600 ASP A OD2 4298 N N . VAL A 539 ? 0.5829 0.7569 0.5282 -0.1498 0.1785 0.1090 601 VAL A N 4299 C CA . VAL A 539 ? 0.5235 0.8121 0.5127 -0.1032 0.1942 -0.0365 601 VAL A CA 4300 C C . VAL A 539 ? 0.5905 0.7994 0.4659 -0.0852 0.2272 0.0032 601 VAL A C 4301 O O . VAL A 539 ? 0.6245 0.7763 0.4079 -0.0964 0.2554 -0.0696 601 VAL A O 4302 C CB . VAL A 539 ? 0.6436 0.8311 0.5015 -0.0724 0.1412 -0.0288 601 VAL A CB 4303 C CG1 . VAL A 539 ? 0.6959 0.8848 0.3799 -0.0534 0.1821 -0.0390 601 VAL A CG1 4304 C CG2 . VAL A 539 ? 0.5253 0.7873 0.5090 -0.0066 0.2323 -0.0449 601 VAL A CG2 4305 N N . SER A 540 ? 0.5520 0.8432 0.5450 -0.1001 0.2248 -0.0103 602 SER A N 4306 C CA . SER A 540 ? 0.6032 0.8431 0.4798 -0.1271 0.1952 0.0237 602 SER A CA 4307 C C . SER A 540 ? 0.5393 0.7857 0.4859 -0.1919 0.2009 -0.0285 602 SER A C 4308 O O . SER A 540 ? 0.6592 0.8607 0.4269 -0.1236 0.2327 -0.0260 602 SER A O 4309 C CB . SER A 540 ? 0.6381 0.7739 0.6498 -0.1697 0.0223 -0.1356 602 SER A CB 4310 O OG . SER A 540 ? 0.7531 0.8579 0.6341 -0.0925 0.1576 -0.0999 602 SER A OG 4311 N N . GLN A 541 ? 0.5632 0.9112 0.4586 -0.1134 0.2511 0.0094 603 GLN A N 4312 C CA . GLN A 541 ? 0.6089 0.9079 0.5284 -0.0660 0.2186 0.0065 603 GLN A CA 4313 C C . GLN A 541 ? 0.5295 0.9643 0.4898 -0.0151 0.2190 -0.0241 603 GLN A C 4314 O O . GLN A 541 ? 0.5686 0.9563 0.5091 -0.0119 0.2378 0.0615 603 GLN A O 4315 C CB . GLN A 541 ? 0.5833 1.0003 0.6989 -0.1251 0.2158 -0.0368 603 GLN A CB 4316 C CG . GLN A 541 ? 0.7540 1.0924 0.7982 -0.2502 0.0843 -0.0104 603 GLN A CG 4317 C CD . GLN A 541 ? 0.9627 1.0720 0.8723 -0.2245 0.0699 -0.0052 603 GLN A CD 4318 O OE1 . GLN A 541 ? 1.1502 1.1386 0.9908 -0.1949 0.2186 0.1439 603 GLN A OE1 4319 N NE2 . GLN A 541 ? 0.7983 1.2314 0.8259 -0.1769 0.1644 0.0739 603 GLN A NE2 4320 N N . ALA A 542 ? 0.5636 0.9282 0.4431 0.0035 0.2274 0.0143 604 ALA A N 4321 C CA . ALA A 542 ? 0.6423 0.9880 0.5944 -0.0672 0.1982 -0.0721 604 ALA A CA 4322 C C . ALA A 542 ? 0.6923 1.0485 0.5153 -0.0135 0.2232 -0.0635 604 ALA A C 4323 O O . ALA A 542 ? 0.5595 0.9887 0.5822 0.0453 0.3417 0.0429 604 ALA A O 4324 C CB . ALA A 542 ? 0.6121 0.9524 0.4563 -0.0290 0.2356 -0.0818 604 ALA A CB 4325 N N . GLN A 543 ? 0.6129 1.0948 0.4630 -0.0056 0.1912 -0.0779 605 GLN A N 4326 C CA . GLN A 543 ? 0.6298 1.1224 0.5139 0.0156 0.2822 -0.0577 605 GLN A CA 4327 C C . GLN A 543 ? 0.6048 1.1411 0.5826 0.0070 0.1773 0.0172 605 GLN A C 4328 O O . GLN A 543 ? 0.6731 1.1433 0.4229 -0.0016 0.1773 -0.0909 605 GLN A O 4329 C CB . GLN A 543 ? 0.6103 1.1300 0.5468 -0.0291 0.2601 -0.0033 605 GLN A CB 4330 C CG . GLN A 543 ? 0.5997 1.1371 0.6752 -0.0254 0.2478 -0.0881 605 GLN A CG 4331 C CD . GLN A 543 ? 0.8651 1.1447 0.4982 0.0574 0.1297 -0.0927 605 GLN A CD 4332 O OE1 . GLN A 543 ? 0.8208 1.1703 0.4341 0.0423 0.1881 -0.2648 605 GLN A OE1 4333 N NE2 . GLN A 543 ? 0.7763 1.1879 0.6719 0.2177 0.2033 -0.2372 605 GLN A NE2 4334 N N . ASN A 544 ? 0.5791 1.0792 0.4227 0.0143 0.2778 -0.0776 606 ASN A N 4335 C CA . ASN A 544 ? 0.6944 1.0681 0.5550 0.0169 0.1674 -0.0593 606 ASN A CA 4336 C C . ASN A 544 ? 0.5514 1.1041 0.6826 0.0057 0.2387 -0.1130 606 ASN A C 4337 O O . ASN A 544 ? 0.6621 1.0720 0.6446 0.0310 0.2426 -0.0811 606 ASN A O 4338 C CB . ASN A 544 ? 0.6023 1.0564 0.5853 0.0570 0.1213 -0.1082 606 ASN A CB 4339 C CG . ASN A 544 ? 0.6861 1.0340 0.4208 0.0755 0.1700 -0.1089 606 ASN A CG 4340 O OD1 . ASN A 544 ? 0.7669 1.0582 0.5041 0.1060 0.1810 -0.2361 606 ASN A OD1 4341 N ND2 . ASN A 544 ? 0.6162 1.0509 0.3805 0.0122 0.1295 -0.1931 606 ASN A ND2 4342 N N . ASP A 545 ? 0.8193 1.2131 0.6410 -0.0164 0.1289 -0.1495 607 ASP A N 4343 C CA . ASP A 545 ? 0.7141 1.2810 0.6609 0.0037 0.3031 -0.1392 607 ASP A CA 4344 C C . ASP A 545 ? 0.7708 0.9970 0.5386 0.1274 0.1803 -0.2279 607 ASP A C 4345 O O . ASP A 545 ? 0.4505 1.1338 0.6892 0.2012 0.3077 -0.2218 607 ASP A O 4346 C CB . ASP A 545 ? 0.9236 1.2372 0.7067 0.0151 0.2662 -0.1910 607 ASP A CB 4347 C CG . ASP A 545 ? 0.9287 1.2779 0.6969 -0.1258 0.0857 -0.0939 607 ASP A CG 4348 O OD1 . ASP A 545 ? 0.7683 0.9734 0.6327 -0.0416 0.3452 -0.0886 607 ASP A OD1 4349 O OD2 . ASP A 545 ? 1.0958 1.5271 0.7132 -0.0379 0.4483 -0.1837 607 ASP A OD2 4350 N N . LEU A 546 ? 0.7305 1.0615 0.5029 0.0317 0.1822 -0.2262 608 LEU A N 4351 C CA . LEU A 546 ? 0.6872 0.9584 0.6258 0.0669 0.2154 -0.2158 608 LEU A CA 4352 C C . LEU A 546 ? 0.5812 0.9859 0.5738 0.1629 0.2596 -0.1488 608 LEU A C 4353 O O . LEU A 546 ? 0.7009 0.9435 0.6902 0.1882 0.2160 -0.1770 608 LEU A O 4354 C CB . LEU A 546 ? 0.6381 0.9866 0.5723 0.0834 0.0974 -0.2909 608 LEU A CB 4355 C CG . LEU A 546 ? 0.6136 1.0505 0.6674 0.0685 0.0711 -0.1840 608 LEU A CG 4356 C CD1 . LEU A 546 ? 0.8670 1.0170 0.4743 0.1399 0.1640 -0.2717 608 LEU A CD1 4357 C CD2 . LEU A 546 ? 0.6736 1.0174 0.6909 0.1544 0.1168 -0.1581 608 LEU A CD2 4358 N N . PHE A 547 ? 0.5438 0.9786 0.5870 0.1418 0.1908 -0.1407 609 PHE A N 4359 C CA . PHE A 547 ? 0.6387 0.9292 0.5634 0.2096 0.1035 -0.1178 609 PHE A CA 4360 C C . PHE A 547 ? 0.6674 1.1471 0.7133 -0.0671 0.1701 -0.1611 609 PHE A C 4361 O O . PHE A 547 ? 0.5453 1.1278 0.5745 0.1167 0.2104 -0.1688 609 PHE A O 4362 C CB . PHE A 547 ? 0.6444 1.0069 0.4780 0.2199 0.1044 -0.1822 609 PHE A CB 4363 C CG . PHE A 547 ? 0.5717 0.8459 0.5307 0.0349 0.0693 -0.2384 609 PHE A CG 4364 C CD1 . PHE A 547 ? 0.5848 0.7908 0.5765 0.1354 0.1879 -0.2320 609 PHE A CD1 4365 C CD2 . PHE A 547 ? 0.5840 0.9872 0.5164 0.0401 0.1349 -0.1104 609 PHE A CD2 4366 C CE1 . PHE A 547 ? 0.5950 0.9034 0.4686 0.0759 0.2090 -0.1864 609 PHE A CE1 4367 C CE2 . PHE A 547 ? 0.6503 0.9638 0.4486 0.0943 0.2603 -0.1860 609 PHE A CE2 4368 C CZ . PHE A 547 ? 0.6258 0.8388 0.5154 0.0453 0.1596 -0.2208 609 PHE A CZ 4369 N N . LYS A 548 ? 0.7227 1.2403 0.6937 0.0587 0.1650 -0.1452 610 LYS A N 4370 C CA . LYS A 548 ? 0.7161 1.1789 0.8254 0.0053 0.2355 -0.0609 610 LYS A CA 4371 C C . LYS A 548 ? 0.7500 1.1561 0.7885 0.1294 0.2961 -0.1963 610 LYS A C 4372 O O . LYS A 548 ? 0.8026 1.1871 0.8593 0.1739 0.2582 -0.3851 610 LYS A O 4373 C CB . LYS A 548 ? 0.6120 1.1465 0.8430 0.2156 0.1728 0.0232 610 LYS A CB 4374 C CG . LYS A 548 ? 0.7309 1.1208 0.7280 0.0147 0.3088 -0.0268 610 LYS A CG 4375 C CD . LYS A 548 ? 0.7187 1.2770 0.6657 0.1313 0.3171 -0.1093 610 LYS A CD 4376 C CE . LYS A 548 ? 0.9986 1.2832 0.7826 0.2135 0.3437 -0.3530 610 LYS A CE 4377 N NZ . LYS A 548 ? 0.8472 1.5770 0.8134 0.3022 0.4147 -0.1729 610 LYS A NZ 4378 N N . THR A 549 ? 0.7635 1.1065 0.7350 0.0986 0.2438 -0.2085 611 THR A N 4379 C CA . THR A 549 ? 0.6485 1.3335 0.6277 0.4262 0.4847 -0.0760 611 THR A CA 4380 C C . THR A 549 ? 0.6345 1.5227 0.7155 0.4675 0.4659 -0.1507 611 THR A C 4381 O O . THR A 549 ? 0.9226 1.4072 0.8903 0.1806 0.4317 -0.3153 611 THR A O 4382 C CB . THR A 549 ? 0.8301 1.2249 0.7124 0.2251 0.1602 -0.1239 611 THR A CB 4383 O OG1 . THR A 549 ? 1.1544 1.4475 0.9703 -0.1309 0.0516 -0.0339 611 THR A OG1 4384 C CG2 . THR A 549 ? 0.6173 1.0292 0.6988 0.3702 0.2469 -0.0093 611 THR A CG2 4385 N N . ALA A 550 ? 0.8654 1.4416 0.8766 0.1569 0.3029 -0.0785 612 ALA A N 4386 C CA . ALA A 550 ? 0.8068 1.4033 1.0033 0.1337 0.1771 -0.1127 612 ALA A CA 4387 C C . ALA A 550 ? 0.8116 1.4730 1.1393 0.1979 0.0728 -0.0792 612 ALA A C 4388 O O . ALA A 550 ? 0.7143 1.6139 1.0363 0.1990 -0.0472 -0.2512 612 ALA A O 4389 C CB . ALA A 550 ? 0.8842 1.5423 0.8879 0.0730 0.2322 -0.2033 612 ALA A CB 4390 N N . SER A 551 ? 0.7928 1.5090 0.9990 0.2221 0.1844 -0.0270 613 SER A N 4391 C CA . SER A 551 ? 0.7271 1.6568 1.0582 0.2960 0.1639 -0.1016 613 SER A CA 4392 C C . SER A 551 ? 0.3508 1.7752 1.1168 0.4072 0.3051 -0.0447 613 SER A C 4393 O O . SER A 551 ? 1.1137 2.1371 1.0055 0.0608 0.1933 0.0234 613 SER A O 4394 C CB . SER A 551 ? 0.7036 1.4786 1.2377 0.0263 0.3520 -0.0819 613 SER A CB 4395 O OG . SER A 551 ? 0.5837 1.6115 1.2150 0.1900 0.4238 -0.0167 613 SER A OG 4396 N N . ASP A 552 ? 0.6576 1.7951 1.0770 0.3702 0.3711 -0.2406 614 ASP A N 4397 C CA . ASP A 552 ? 0.9795 1.4609 1.0450 0.2796 0.2804 -0.3677 614 ASP A CA 4398 C C . ASP A 552 ? 0.9672 1.3025 1.0587 0.1767 0.1672 -0.0179 614 ASP A C 4399 O O . ASP A 552 ? 1.2820 1.5071 0.6440 0.2898 0.2417 0.0803 614 ASP A O 4400 C CB . ASP A 552 ? 0.9746 1.3882 1.0353 0.1033 0.2147 -0.3596 614 ASP A CB 4401 C CG . ASP A 552 ? 0.8326 1.2889 0.9205 0.5843 0.2983 -0.5530 614 ASP A CG 4402 O OD1 . ASP A 552 ? 0.7413 1.3934 1.0781 0.3360 0.0921 -0.0827 614 ASP A OD1 4403 O OD2 . ASP A 552 ? 0.9700 1.2452 0.7672 0.5376 0.3752 -0.4505 614 ASP A OD2 4404 N N . ASP A 553 ? 0.7450 1.3261 0.7036 0.2315 0.1590 -0.2228 615 ASP A N 4405 C CA . ASP A 553 ? 0.7816 1.3189 0.9971 0.0184 0.1579 -0.2096 615 ASP A CA 4406 C C . ASP A 553 ? 0.7181 1.1421 1.1772 0.1084 0.2596 0.0226 615 ASP A C 4407 O O . ASP A 553 ? 0.6563 1.1122 1.1992 0.1472 0.3311 -0.1459 615 ASP A O 4408 C CB . ASP A 553 ? 0.9079 1.2880 0.9488 0.0730 0.0837 -0.1659 615 ASP A CB 4409 C CG . ASP A 553 ? 0.8309 1.2442 0.9000 -0.0293 0.0978 -0.2265 615 ASP A CG 4410 O OD1 . ASP A 553 ? 1.2691 1.1350 1.4083 -0.0071 0.2506 -0.2771 615 ASP A OD1 4411 O OD2 . ASP A 553 ? 0.8988 1.3571 0.7792 0.0688 0.3619 -0.5651 615 ASP A OD2 4412 N N . TRP A 554 ? 0.9514 1.1375 0.7194 0.1159 0.2584 -0.2785 616 TRP A N 4413 C CA . TRP A 554 ? 0.7298 0.8939 0.8177 0.0678 0.0315 -0.2189 616 TRP A CA 4414 C C . TRP A 554 ? 0.7434 0.9845 0.7276 0.0801 0.0843 -0.1413 616 TRP A C 4415 O O . TRP A 554 ? 0.6316 0.9504 0.6892 0.1596 0.2669 -0.2777 616 TRP A O 4416 C CB . TRP A 554 ? 0.6296 0.9650 0.7495 0.2633 0.1620 -0.3293 616 TRP A CB 4417 C CG . TRP A 554 ? 0.7890 1.0672 0.8129 0.1726 0.1579 -0.2922 616 TRP A CG 4418 C CD1 . TRP A 554 ? 0.6701 1.1307 1.0366 0.2173 0.2685 -0.1168 616 TRP A CD1 4419 C CD2 . TRP A 554 ? 0.7118 0.9451 0.8119 0.2055 0.0475 -0.2567 616 TRP A CD2 4420 N NE1 . TRP A 554 ? 0.6920 1.0106 0.7789 0.1647 0.0862 -0.1384 616 TRP A NE1 4421 C CE2 . TRP A 554 ? 0.6895 1.0239 0.8032 0.1939 0.0135 -0.1320 616 TRP A CE2 4422 C CE3 . TRP A 554 ? 0.6122 1.0215 0.6141 0.1647 0.0642 -0.2574 616 TRP A CE3 4423 C CZ2 . TRP A 554 ? 0.7263 0.9368 0.6541 0.2909 0.1249 -0.2994 616 TRP A CZ2 4424 C CZ3 . TRP A 554 ? 0.5763 0.9199 0.6874 0.3502 0.1211 -0.1624 616 TRP A CZ3 4425 C CH2 . TRP A 554 ? 0.6750 0.9781 0.7055 0.2965 0.0937 -0.1495 616 TRP A CH2 4426 N N . VAL A 555 ? 0.6478 1.0330 0.7254 0.1114 0.1444 -0.1370 617 VAL A N 4427 C CA . VAL A 555 ? 0.6188 0.9934 0.6392 0.0802 0.0214 -0.2387 617 VAL A CA 4428 C C . VAL A 555 ? 0.6346 0.8786 0.6584 0.0789 0.1040 -0.1631 617 VAL A C 4429 O O . VAL A 555 ? 0.4524 0.8221 0.6458 0.1710 0.2299 -0.2228 617 VAL A O 4430 C CB . VAL A 555 ? 0.6935 0.8641 0.7000 0.1745 0.0357 -0.2690 617 VAL A CB 4431 C CG1 . VAL A 555 ? 0.6243 0.9449 0.4944 0.1389 0.1033 -0.3390 617 VAL A CG1 4432 C CG2 . VAL A 555 ? 0.6679 0.9452 0.5633 0.1121 0.1382 -0.2619 617 VAL A CG2 4433 N N . LEU A 556 ? 0.6321 0.7507 0.6000 0.0854 0.1056 -0.2227 618 LEU A N 4434 C CA . LEU A 556 ? 0.5484 0.7631 0.5911 0.0521 0.1351 -0.1711 618 LEU A CA 4435 C C . LEU A 556 ? 0.5640 0.7092 0.5486 0.0419 0.1269 -0.1569 618 LEU A C 4436 O O . LEU A 556 ? 0.5089 0.7116 0.5619 0.0930 0.1272 -0.1893 618 LEU A O 4437 C CB . LEU A 556 ? 0.5178 0.7362 0.6312 0.0936 0.1028 -0.2139 618 LEU A CB 4438 C CG . LEU A 556 ? 0.5649 0.6877 0.6303 0.1590 0.1805 -0.1405 618 LEU A CG 4439 C CD1 . LEU A 556 ? 0.6032 0.8027 0.7458 0.2043 0.0451 -0.1558 618 LEU A CD1 4440 C CD2 . LEU A 556 ? 0.5528 0.7181 0.6846 0.0989 0.2125 -0.1064 618 LEU A CD2 4441 N N . LEU A 557 ? 0.5237 0.6807 0.6087 0.0355 0.1139 -0.1471 619 LEU A N 4442 C CA . LEU A 557 ? 0.4949 0.6837 0.4938 0.0236 0.1159 -0.2004 619 LEU A CA 4443 C C . LEU A 557 ? 0.4296 0.6868 0.5349 0.0160 0.1086 -0.1098 619 LEU A C 4444 O O . LEU A 557 ? 0.4461 0.5950 0.4479 0.0927 0.1390 -0.1757 619 LEU A O 4445 C CB . LEU A 557 ? 0.4851 0.7123 0.5326 0.0605 0.1748 -0.1246 619 LEU A CB 4446 C CG . LEU A 557 ? 0.4658 0.7308 0.5530 0.0368 0.2120 -0.1667 619 LEU A CG 4447 C CD1 . LEU A 557 ? 0.5016 0.7384 0.5143 0.1222 0.1680 -0.1129 619 LEU A CD1 4448 C CD2 . LEU A 557 ? 0.5457 0.7064 0.5323 0.1215 0.2332 -0.1270 619 LEU A CD2 4449 N N . ASN A 558 ? 0.4625 0.6247 0.4788 0.0609 0.1096 -0.1266 620 ASN A N 4450 C CA . ASN A 558 ? 0.5087 0.5953 0.5078 0.0284 0.1443 -0.1622 620 ASN A CA 4451 C C . ASN A 558 ? 0.4639 0.6247 0.4912 0.0346 0.1271 -0.1622 620 ASN A C 4452 O O . ASN A 558 ? 0.4033 0.6034 0.4947 0.0821 0.0651 -0.2164 620 ASN A O 4453 C CB . ASN A 558 ? 0.4474 0.5928 0.4751 0.0413 0.1090 -0.1406 620 ASN A CB 4454 C CG . ASN A 558 ? 0.4536 0.5734 0.4777 0.0057 0.1305 -0.1445 620 ASN A CG 4455 O OD1 . ASN A 558 ? 0.4256 0.5695 0.4181 0.0755 0.1201 -0.1831 620 ASN A OD1 4456 N ND2 . ASN A 558 ? 0.3913 0.5856 0.4493 0.0200 0.1321 -0.1466 620 ASN A ND2 4457 N N . VAL A 559 ? 0.5025 0.6195 0.5950 0.0035 0.1261 -0.1815 621 VAL A N 4458 C CA . VAL A 559 ? 0.4482 0.6049 0.5563 0.0084 0.1077 -0.1954 621 VAL A CA 4459 C C . VAL A 559 ? 0.4920 0.5142 0.4972 0.0593 0.0792 -0.2238 621 VAL A C 4460 O O . VAL A 559 ? 0.4211 0.5439 0.5130 0.0289 0.0800 -0.1816 621 VAL A O 4461 C CB . VAL A 559 ? 0.5154 0.6215 0.5197 -0.0053 0.1268 -0.2013 621 VAL A CB 4462 C CG1 . VAL A 559 ? 0.5749 0.6499 0.5159 -0.0442 0.0788 -0.2025 621 VAL A CG1 4463 C CG2 . VAL A 559 ? 0.5485 0.6300 0.6023 0.1341 0.1561 -0.2546 621 VAL A CG2 4464 N N . ASN A 560 ? 0.4189 0.4796 0.5486 0.0510 0.0815 -0.1742 622 ASN A N 4465 C CA . ASN A 560 ? 0.4608 0.5139 0.4824 -0.0081 0.0548 -0.1514 622 ASN A CA 4466 C C . ASN A 560 ? 0.4292 0.5108 0.5449 0.0072 0.1143 -0.1329 622 ASN A C 4467 O O . ASN A 560 ? 0.3931 0.4999 0.4870 -0.0171 0.0718 -0.1803 622 ASN A O 4468 C CB . ASN A 560 ? 0.4139 0.5287 0.5186 0.0319 0.0667 -0.1748 622 ASN A CB 4469 C CG . ASN A 560 ? 0.4899 0.5171 0.6351 0.0457 0.0621 -0.1525 622 ASN A CG 4470 O OD1 . ASN A 560 ? 0.4851 0.5711 0.6033 0.0539 0.0557 -0.1581 622 ASN A OD1 4471 N ND2 . ASN A 560 ? 0.5424 0.5393 0.6189 0.0332 0.0268 -0.1368 622 ASN A ND2 4472 N N . VAL A 561 ? 0.4328 0.5184 0.5090 -0.0074 0.0912 -0.1178 623 VAL A N 4473 C CA . VAL A 561 ? 0.4031 0.5358 0.4761 0.0259 0.1024 -0.1611 623 VAL A CA 4474 C C . VAL A 561 ? 0.4309 0.4722 0.4780 0.0294 0.0723 -0.1199 623 VAL A C 4475 O O . VAL A 561 ? 0.4119 0.4439 0.4340 -0.0036 0.1114 -0.0834 623 VAL A O 4476 C CB . VAL A 561 ? 0.4113 0.4685 0.4761 0.0115 0.0732 -0.0684 623 VAL A CB 4477 C CG1 . VAL A 561 ? 0.4336 0.5012 0.3740 0.0111 0.1118 -0.1393 623 VAL A CG1 4478 C CG2 . VAL A 561 ? 0.4034 0.4884 0.5248 0.0207 0.0632 -0.0946 623 VAL A CG2 4479 N N . THR A 562 ? 0.4083 0.4488 0.4521 0.0139 0.0911 -0.1073 624 THR A N 4480 C CA . THR A 562 ? 0.4137 0.5051 0.4640 0.0007 0.0550 -0.0939 624 THR A CA 4481 C C . THR A 562 ? 0.3722 0.5155 0.4927 -0.0014 0.0682 -0.1049 624 THR A C 4482 O O . THR A 562 ? 0.4386 0.5067 0.3949 0.0140 0.0879 -0.1281 624 THR A O 4483 C CB . THR A 562 ? 0.4436 0.5175 0.5083 -0.0189 0.0734 -0.1585 624 THR A CB 4484 O OG1 . THR A 562 ? 0.5080 0.5846 0.4520 -0.0010 0.0461 -0.1083 624 THR A OG1 4485 C CG2 . THR A 562 ? 0.3929 0.4948 0.4790 0.0216 0.0628 -0.1327 624 THR A CG2 4486 N N . GLY A 563 ? 0.4270 0.5354 0.3862 -0.0156 0.1153 -0.1320 625 GLY A N 4487 C CA . GLY A 563 ? 0.3263 0.5106 0.3811 0.0479 0.1301 -0.1451 625 GLY A CA 4488 C C . GLY A 563 ? 0.3618 0.5084 0.3897 -0.0300 0.1112 -0.0933 625 GLY A C 4489 O O . GLY A 563 ? 0.3636 0.5480 0.4103 0.0364 0.1200 -0.1294 625 GLY A O 4490 N N . TYR A 564 ? 0.3815 0.5436 0.3285 -0.0230 0.1389 -0.0974 626 TYR A N 4491 C CA . TYR A 564 ? 0.3515 0.4794 0.4410 -0.0496 0.0971 -0.1252 626 TYR A CA 4492 C C . TYR A 564 ? 0.3737 0.5344 0.3596 -0.0411 0.1388 -0.1244 626 TYR A C 4493 O O . TYR A 564 ? 0.3506 0.5080 0.3552 -0.0383 0.0516 -0.0853 626 TYR A O 4494 C CB . TYR A 564 ? 0.3715 0.4884 0.3419 -0.0379 0.0823 -0.0693 626 TYR A CB 4495 C CG . TYR A 564 ? 0.3370 0.4727 0.4042 -0.0331 0.0698 -0.1074 626 TYR A CG 4496 C CD1 . TYR A 564 ? 0.3651 0.4453 0.3844 -0.0397 0.0936 -0.1162 626 TYR A CD1 4497 C CD2 . TYR A 564 ? 0.3526 0.4892 0.4031 -0.0872 0.1085 -0.0680 626 TYR A CD2 4498 C CE1 . TYR A 564 ? 0.3877 0.4879 0.3275 -0.1060 0.0887 -0.0507 626 TYR A CE1 4499 C CE2 . TYR A 564 ? 0.3648 0.5019 0.3744 -0.0469 0.0580 -0.0388 626 TYR A CE2 4500 C CZ . TYR A 564 ? 0.3292 0.4780 0.3479 -0.0451 0.0792 -0.0872 626 TYR A CZ 4501 O OH . TYR A 564 ? 0.3664 0.4709 0.3452 -0.0677 0.1098 -0.1089 626 TYR A OH 4502 N N . PHE A 565 ? 0.3736 0.5454 0.3693 -0.0190 0.0950 -0.0910 627 PHE A N 4503 C CA . PHE A 565 ? 0.3830 0.6020 0.4489 -0.0221 0.1134 -0.0878 627 PHE A CA 4504 C C . PHE A 565 ? 0.4226 0.5457 0.4546 -0.0198 0.0645 -0.0896 627 PHE A C 4505 O O . PHE A 565 ? 0.3953 0.5449 0.3903 0.0099 0.0988 -0.0987 627 PHE A O 4506 C CB . PHE A 565 ? 0.4540 0.5662 0.4643 -0.0430 0.0959 -0.0590 627 PHE A CB 4507 C CG . PHE A 565 ? 0.3962 0.6227 0.4725 -0.0022 0.0917 -0.1029 627 PHE A CG 4508 C CD1 . PHE A 565 ? 0.3612 0.6135 0.4051 0.0025 0.1426 -0.0925 627 PHE A CD1 4509 C CD2 . PHE A 565 ? 0.3914 0.6517 0.5069 -0.0262 0.1155 -0.1568 627 PHE A CD2 4510 C CE1 . PHE A 565 ? 0.4316 0.5455 0.4568 0.0201 0.1126 -0.0930 627 PHE A CE1 4511 C CE2 . PHE A 565 ? 0.3562 0.6063 0.4850 -0.0058 0.1336 -0.1212 627 PHE A CE2 4512 C CZ . PHE A 565 ? 0.3814 0.6001 0.3424 -0.0123 0.1360 -0.0922 627 PHE A CZ 4513 N N . GLN A 566 ? 0.3852 0.6042 0.4655 -0.0023 0.1194 -0.0806 628 GLN A N 4514 C CA . GLN A 566 ? 0.3826 0.5649 0.4576 -0.0176 0.1273 -0.0931 628 GLN A CA 4515 C C . GLN A 566 ? 0.4083 0.6484 0.4779 -0.0324 0.1477 -0.1026 628 GLN A C 4516 O O . GLN A 566 ? 0.4156 0.6447 0.4629 -0.0166 0.1159 -0.1268 628 GLN A O 4517 C CB . GLN A 566 ? 0.3251 0.5795 0.4835 -0.0344 0.1058 -0.0757 628 GLN A CB 4518 C CG . GLN A 566 ? 0.3425 0.5742 0.4685 -0.0461 0.0942 -0.0712 628 GLN A CG 4519 C CD . GLN A 566 ? 0.3903 0.5575 0.4997 -0.0223 0.0884 -0.1128 628 GLN A CD 4520 O OE1 . GLN A 566 ? 0.4014 0.6063 0.4932 -0.0176 0.0814 -0.0891 628 GLN A OE1 4521 N NE2 . GLN A 566 ? 0.3652 0.5685 0.4731 0.0201 0.1434 -0.0238 628 GLN A NE2 4522 N N . VAL A 567 ? 0.3711 0.6223 0.4974 -0.0180 0.1204 -0.0789 629 VAL A N 4523 C CA . VAL A 567 ? 0.4036 0.6732 0.5662 0.0611 0.1351 -0.1357 629 VAL A CA 4524 C C . VAL A 567 ? 0.3933 0.7381 0.5834 -0.0116 0.1306 -0.1107 629 VAL A C 4525 O O . VAL A 567 ? 0.3340 0.7095 0.5699 0.0300 0.1872 -0.1456 629 VAL A O 4526 C CB . VAL A 567 ? 0.4134 0.7034 0.4736 0.0378 0.0982 -0.1175 629 VAL A CB 4527 C CG1 . VAL A 567 ? 0.3933 0.7385 0.5425 0.0190 0.1432 -0.1621 629 VAL A CG1 4528 C CG2 . VAL A 567 ? 0.3983 0.5950 0.4197 0.0749 0.1520 -0.1144 629 VAL A CG2 4529 N N . ASN A 568 ? 0.4407 0.7155 0.5444 0.0361 0.1285 -0.0657 630 ASN A N 4530 C CA . ASN A 568 ? 0.4272 0.7407 0.5684 0.0109 0.1866 -0.0997 630 ASN A CA 4531 C C . ASN A 568 ? 0.4627 0.7835 0.5375 -0.0106 0.1407 -0.1144 630 ASN A C 4532 O O . ASN A 568 ? 0.4201 0.8320 0.4312 0.0225 0.2491 -0.0880 630 ASN A O 4533 C CB . ASN A 568 ? 0.3831 0.7820 0.5638 -0.0201 0.1728 -0.1100 630 ASN A CB 4534 C CG . ASN A 568 ? 0.4240 0.7546 0.6193 -0.0091 0.1418 -0.1253 630 ASN A CG 4535 O OD1 . ASN A 568 ? 0.5138 0.9017 0.7139 0.0580 0.1211 -0.0390 630 ASN A OD1 4536 N ND2 . ASN A 568 ? 0.3415 0.8646 0.6607 -0.0726 0.2127 -0.1056 630 ASN A ND2 4537 N N . TYR A 569 ? 0.4153 0.8446 0.5897 -0.0239 0.1706 -0.1388 631 TYR A N 4538 C CA . TYR A 569 ? 0.4355 0.8997 0.5770 0.0706 0.1358 -0.1166 631 TYR A CA 4539 C C . TYR A 569 ? 0.5203 0.9591 0.6021 -0.0599 0.1066 -0.0503 631 TYR A C 4540 O O . TYR A 569 ? 0.4979 0.9853 0.5278 0.0048 0.2525 -0.1291 631 TYR A O 4541 C CB . TYR A 569 ? 0.4284 0.9241 0.5876 0.0632 0.1026 -0.2538 631 TYR A CB 4542 C CG . TYR A 569 ? 0.5144 0.7910 0.6138 0.0199 0.0729 -0.1250 631 TYR A CG 4543 C CD1 . TYR A 569 ? 0.4456 0.7850 0.6024 0.0965 0.0807 -0.1133 631 TYR A CD1 4544 C CD2 . TYR A 569 ? 0.3836 0.7949 0.5973 0.0867 0.1715 -0.2062 631 TYR A CD2 4545 C CE1 . TYR A 569 ? 0.5172 0.7621 0.6016 0.0836 0.2134 -0.1482 631 TYR A CE1 4546 C CE2 . TYR A 569 ? 0.4080 0.8209 0.6085 0.0628 0.1677 -0.1767 631 TYR A CE2 4547 C CZ . TYR A 569 ? 0.4736 0.7881 0.5815 0.0370 0.1578 -0.1444 631 TYR A CZ 4548 O OH . TYR A 569 ? 0.4551 0.8335 0.5310 0.0494 0.1152 -0.0679 631 TYR A OH 4549 N N . ASP A 570 ? 0.5090 1.1318 0.7422 0.0204 0.1963 -0.1645 632 ASP A N 4550 C CA . ASP A 570 ? 0.4980 1.1669 0.6766 0.0212 0.1469 -0.0827 632 ASP A CA 4551 C C . ASP A 570 ? 0.5387 1.1547 0.5405 -0.0348 0.2529 -0.0638 632 ASP A C 4552 O O . ASP A 570 ? 0.3732 1.0219 0.6949 0.1269 0.2238 -0.0897 632 ASP A O 4553 C CB . ASP A 570 ? 0.5563 1.1236 0.7085 0.0178 0.1830 -0.1367 632 ASP A CB 4554 C CG . ASP A 570 ? 0.6318 1.2368 0.6043 -0.0055 0.1249 -0.2101 632 ASP A CG 4555 O OD1 . ASP A 570 ? 0.5613 1.1191 0.6297 0.1302 0.1672 -0.2005 632 ASP A OD1 4556 O OD2 . ASP A 570 ? 0.6204 1.2986 0.7209 0.0120 0.2493 -0.1437 632 ASP A OD2 4557 N N . GLU A 571 ? 0.5492 0.9740 0.6992 0.0956 0.1749 -0.1742 633 GLU A N 4558 C CA . GLU A 571 ? 0.4326 1.1028 0.6394 -0.0507 0.2425 -0.0288 633 GLU A CA 4559 C C . GLU A 571 ? 0.6547 1.1205 0.8411 0.1605 0.1539 -0.0898 633 GLU A C 4560 O O . GLU A 571 ? 0.4617 1.0854 0.7882 0.1158 0.1374 -0.1746 633 GLU A O 4561 C CB . GLU A 571 ? 0.4680 1.3026 0.7950 -0.1003 0.2078 -0.0933 633 GLU A CB 4562 C CG . GLU A 571 ? 0.6461 1.3301 0.8956 -0.1017 0.1468 -0.0975 633 GLU A CG 4563 C CD . GLU A 571 ? 0.4510 1.4643 0.9109 -0.0286 0.2249 -0.1777 633 GLU A CD 4564 O OE1 . GLU A 571 ? 0.4990 1.5877 1.2571 0.2320 -0.0568 -0.0560 633 GLU A OE1 4565 O OE2 . GLU A 571 ? 0.9147 1.3602 0.7869 0.0420 0.2715 -0.0997 633 GLU A OE2 4566 N N . ASP A 572 ? 0.5876 1.0680 0.8405 0.1783 0.2093 -0.0553 634 ASP A N 4567 C CA . ASP A 572 ? 0.5582 1.0981 0.8585 0.1176 0.2175 -0.0301 634 ASP A CA 4568 C C . ASP A 572 ? 0.5017 1.2310 0.6657 0.1495 0.0461 -0.0110 634 ASP A C 4569 O O . ASP A 572 ? 0.4426 1.1082 0.8114 0.1061 0.2988 -0.1910 634 ASP A O 4570 C CB . ASP A 572 ? 0.4416 1.1580 0.8495 0.1244 0.2169 -0.0430 634 ASP A CB 4571 C CG . ASP A 572 ? 0.5559 1.3999 1.0129 -0.0723 0.1933 0.0021 634 ASP A CG 4572 O OD1 . ASP A 572 ? 0.5008 1.3300 0.9309 0.1089 0.2860 -0.1190 634 ASP A OD1 4573 O OD2 . ASP A 572 ? 0.7139 1.2481 1.0593 0.0305 0.2866 -0.0190 634 ASP A OD2 4574 N N . ASN A 573 ? 0.4919 1.1220 0.8920 0.2563 0.2397 -0.1264 635 ASN A N 4575 C CA . ASN A 573 ? 0.5998 0.9831 0.7256 0.1604 0.0938 -0.1894 635 ASN A CA 4576 C C . ASN A 573 ? 0.3938 1.0531 0.8265 0.1012 0.1519 -0.1165 635 ASN A C 4577 O O . ASN A 573 ? 0.5055 0.8846 0.7816 0.1246 0.1726 -0.3565 635 ASN A O 4578 C CB . ASN A 573 ? 0.4574 1.0789 0.7288 0.1912 0.2353 -0.1383 635 ASN A CB 4579 C CG . ASN A 573 ? 0.4032 0.9704 0.5659 0.3117 0.3376 -0.1200 635 ASN A CG 4580 O OD1 . ASN A 573 ? 0.4882 1.1324 0.5998 0.1364 0.2275 -0.1824 635 ASN A OD1 4581 N ND2 . ASN A 573 ? 0.4084 0.9606 0.4969 0.2441 0.3167 -0.1883 635 ASN A ND2 4582 N N . TRP A 574 ? 0.4329 1.0105 0.7838 0.1595 0.0288 -0.0409 636 TRP A N 4583 C CA . TRP A 574 ? 0.4380 0.9661 0.7962 0.0466 0.1141 -0.0890 636 TRP A CA 4584 C C . TRP A 574 ? 0.3512 1.2783 0.6186 0.3109 0.3737 0.0538 636 TRP A C 4585 O O . TRP A 574 ? 0.4754 0.9167 0.6164 0.1654 0.1318 -0.0963 636 TRP A O 4586 C CB . TRP A 574 ? 0.3893 1.0285 0.7531 0.1029 0.0289 -0.1527 636 TRP A CB 4587 C CG . TRP A 574 ? 0.4342 0.9418 0.6641 0.0589 0.0842 -0.1195 636 TRP A CG 4588 C CD1 . TRP A 574 ? 0.4944 0.9029 0.6818 0.1178 0.0639 -0.1068 636 TRP A CD1 4589 C CD2 . TRP A 574 ? 0.4497 0.9370 0.6809 0.1361 0.0932 -0.0594 636 TRP A CD2 4590 N NE1 . TRP A 574 ? 0.3753 0.9375 0.6358 0.0267 0.0927 -0.1319 636 TRP A NE1 4591 C CE2 . TRP A 574 ? 0.4590 0.8764 0.5796 0.0810 0.0941 -0.1120 636 TRP A CE2 4592 C CE3 . TRP A 574 ? 0.4169 0.9339 0.6687 0.1506 0.1232 -0.0756 636 TRP A CE3 4593 C CZ2 . TRP A 574 ? 0.4299 0.9189 0.5422 0.0926 0.0729 -0.0219 636 TRP A CZ2 4594 C CZ3 . TRP A 574 ? 0.4590 0.9133 0.6824 0.1063 0.1711 -0.1071 636 TRP A CZ3 4595 C CH2 . TRP A 574 ? 0.3961 0.9752 0.4742 0.1387 0.2263 -0.0928 636 TRP A CH2 4596 N N . ARG A 575 ? 0.2885 1.2702 0.7640 0.2083 0.3520 -0.0172 637 ARG A N 4597 C CA . ARG A 575 ? 0.5261 1.1750 0.9792 0.1991 0.1039 -0.0447 637 ARG A CA 4598 C C . ARG A 575 ? 0.4325 1.1190 0.9996 0.2887 0.0160 -0.0521 637 ARG A C 4599 O O . ARG A 575 ? 0.4668 0.9518 0.8489 0.2554 0.0225 -0.2018 637 ARG A O 4600 C CB . ARG A 575 ? 0.5686 1.2347 0.9626 -0.0035 0.0906 -0.0132 637 ARG A CB 4601 C CG . ARG A 575 ? 0.6837 1.3495 0.9935 0.1110 0.1414 -0.0323 637 ARG A CG 4602 C CD . ARG A 575 ? 0.7000 1.4001 1.0854 0.1108 0.1768 -0.0415 637 ARG A CD 4603 N NE . ARG A 575 ? 1.1723 1.3353 1.1361 -0.0497 0.3373 -0.0715 637 ARG A NE 4604 C CZ . ARG A 575 ? 0.7992 1.3729 0.9974 0.0040 0.5090 -0.0451 637 ARG A CZ 4605 N NH1 . ARG A 575 ? 1.3621 1.3262 1.0982 0.0003 0.1130 -0.1037 637 ARG A NH1 4606 N NH2 . ARG A 575 ? 1.0813 1.4252 0.9102 0.0335 0.2757 -0.1704 637 ARG A NH2 4607 N N . MET A 576 ? 0.3894 1.0300 0.8711 0.2402 0.1137 -0.0223 638 MET A N 4608 C CA . MET A 576 ? 0.5758 0.9540 1.0360 0.2818 0.0539 -0.0577 638 MET A CA 4609 C C . MET A 576 ? 0.5614 0.8506 0.8837 0.3755 0.2013 -0.4570 638 MET A C 4610 O O . MET A 576 ? 0.6404 0.9084 0.7945 0.3073 0.1784 -0.2799 638 MET A O 4611 C CB . MET A 576 ? 0.5815 1.0239 0.9716 0.2508 0.1613 -0.0866 638 MET A CB 4612 C CG . MET A 576 ? 0.5949 1.0296 0.9194 -0.0128 0.1255 -0.1560 638 MET A CG 4613 S SD . MET A 576 ? 0.6939 1.3283 0.8917 0.1777 0.2155 -0.1641 638 MET A SD 4614 C CE . MET A 576 ? 0.6658 1.0266 1.0509 0.2236 0.3527 -0.2154 638 MET A CE 4615 N N . ILE A 577 ? 0.4930 0.7943 0.8819 0.3461 0.1600 -0.4334 639 ILE A N 4616 C CA . ILE A 577 ? 0.6099 0.8741 0.8647 0.1437 0.0431 -0.0700 639 ILE A CA 4617 C C . ILE A 577 ? 0.5591 0.8151 0.8304 0.2578 0.0984 -0.1288 639 ILE A C 4618 O O . ILE A 577 ? 0.5349 0.8906 0.7556 0.1982 0.2002 -0.2079 639 ILE A O 4619 C CB . ILE A 577 ? 0.6805 0.8981 0.8183 0.1205 0.1011 -0.0746 639 ILE A CB 4620 C CG1 . ILE A 577 ? 0.6135 0.8098 0.7676 0.1534 0.1598 -0.0854 639 ILE A CG1 4621 C CG2 . ILE A 577 ? 0.6502 0.7966 0.8150 0.2495 0.1543 -0.1234 639 ILE A CG2 4622 C CD1 . ILE A 577 ? 0.6149 0.8440 0.7775 0.1630 0.2097 -0.0385 639 ILE A CD1 4623 N N . GLN A 578 ? 0.5827 0.7540 0.7953 0.1938 0.1463 -0.0862 640 GLN A N 4624 C CA . GLN A 578 ? 0.5487 0.9047 0.8177 0.2310 0.0783 -0.1442 640 GLN A CA 4625 C C . GLN A 578 ? 0.5610 0.9576 0.7780 0.3040 0.1086 -0.1910 640 GLN A C 4626 O O . GLN A 578 ? 0.6676 0.8880 0.9877 0.2570 0.1228 -0.1548 640 GLN A O 4627 C CB . GLN A 578 ? 0.5520 0.8848 0.8728 0.2501 0.0615 -0.1234 640 GLN A CB 4628 C CG . GLN A 578 ? 0.6399 0.9426 0.7139 0.2064 0.1168 -0.1600 640 GLN A CG 4629 C CD . GLN A 578 ? 0.5135 0.9826 0.7467 0.2469 0.1529 -0.0789 640 GLN A CD 4630 O OE1 . GLN A 578 ? 0.5632 1.0864 0.6703 0.3138 0.2006 -0.0414 640 GLN A OE1 4631 N NE2 . GLN A 578 ? 0.6473 0.9045 0.7619 0.2055 0.0635 -0.0233 640 GLN A NE2 4632 N N . HIS A 579 ? 0.4200 1.0705 0.8553 0.1144 0.2068 -0.1657 641 HIS A N 4633 C CA . HIS A 579 ? 0.5716 1.0839 0.9708 0.2703 0.1751 -0.1097 641 HIS A CA 4634 C C . HIS A 579 ? 0.6767 1.0113 0.9292 0.2481 0.1418 -0.1474 641 HIS A C 4635 O O . HIS A 579 ? 0.6887 1.0724 0.9662 0.1119 0.3031 -0.1103 641 HIS A O 4636 C CB . HIS A 579 ? 0.6300 1.1212 0.9205 0.3025 0.1548 -0.0592 641 HIS A CB 4637 C CG . HIS A 579 ? 0.8000 1.1912 1.2671 0.4048 0.1696 -0.0968 641 HIS A CG 4638 N ND1 . HIS A 579 ? 0.9004 1.3306 1.1741 0.2261 0.1024 -0.1481 641 HIS A ND1 4639 C CD2 . HIS A 579 ? 0.7737 1.3945 1.4627 0.4586 0.1517 -0.0120 641 HIS A CD2 4640 C CE1 . HIS A 579 ? 0.9900 1.2689 1.4804 0.2471 0.0767 -0.1559 641 HIS A CE1 4641 N NE2 . HIS A 579 ? 1.0913 1.2524 1.5640 0.2694 0.0023 -0.1729 641 HIS A NE2 4642 N N . GLN A 580 ? 0.7467 0.9815 0.6808 0.1288 0.0747 -0.1693 642 GLN A N 4643 C CA . GLN A 580 ? 0.6141 0.8916 0.8617 0.2936 0.1313 -0.1140 642 GLN A CA 4644 C C . GLN A 580 ? 0.6085 0.8830 0.8606 0.2192 0.1197 -0.1702 642 GLN A C 4645 O O . GLN A 580 ? 0.7186 0.8429 0.8451 0.2213 0.0620 -0.2113 642 GLN A O 4646 C CB . GLN A 580 ? 0.7423 0.8548 0.7940 0.2634 0.0332 -0.1405 642 GLN A CB 4647 C CG . GLN A 580 ? 0.8583 0.6730 0.8243 0.2260 0.0657 -0.1965 642 GLN A CG 4648 C CD . GLN A 580 ? 0.8131 0.9220 0.7996 0.3545 0.0969 -0.2916 642 GLN A CD 4649 O OE1 . GLN A 580 ? 0.8171 0.9077 0.7479 0.2091 0.0662 -0.4259 642 GLN A OE1 4650 N NE2 . GLN A 580 ? 0.7090 0.8635 0.8422 0.4640 0.1033 -0.2588 642 GLN A NE2 4651 N N . LEU A 581 ? 0.6914 0.7639 0.8317 0.1959 0.1390 -0.1191 643 LEU A N 4652 C CA . LEU A 581 ? 0.6811 0.7502 0.8582 0.1574 0.1476 -0.0878 643 LEU A CA 4653 C C . LEU A 581 ? 0.6681 0.9078 0.8131 0.1979 0.0429 -0.1665 643 LEU A C 4654 O O . LEU A 581 ? 0.7459 0.7956 0.8534 0.2186 0.1274 -0.2332 643 LEU A O 4655 C CB . LEU A 581 ? 0.6275 0.7874 0.7314 0.1302 0.1435 -0.0870 643 LEU A CB 4656 C CG . LEU A 581 ? 0.6714 0.7742 0.8253 0.1773 0.1500 -0.1208 643 LEU A CG 4657 C CD1 . LEU A 581 ? 0.6474 0.8001 0.8161 0.1943 0.2065 -0.1604 643 LEU A CD1 4658 C CD2 . LEU A 581 ? 0.6582 0.7234 0.6965 0.2202 0.1325 -0.1147 643 LEU A CD2 4659 N N . GLN A 582 ? 0.7310 0.9913 0.9051 0.2218 0.2174 -0.1639 644 GLN A N 4660 C CA . GLN A 582 ? 0.8345 1.0390 0.8759 0.2153 0.0411 -0.2005 644 GLN A CA 4661 C C . GLN A 582 ? 0.9047 0.8758 0.9630 0.2690 0.0045 -0.0213 644 GLN A C 4662 O O . GLN A 582 ? 1.0499 0.8300 0.9823 0.4450 0.1029 -0.0451 644 GLN A O 4663 C CB . GLN A 582 ? 0.8123 0.9568 1.1396 0.2832 0.0727 -0.1413 644 GLN A CB 4664 C CG . GLN A 582 ? 0.7902 1.0104 1.2962 0.2210 0.0400 -0.1875 644 GLN A CG 4665 C CD . GLN A 582 ? 0.6851 0.9000 1.6424 0.5998 0.2977 -0.2021 644 GLN A CD 4666 O OE1 . GLN A 582 ? 0.7846 0.7493 1.4193 0.4721 0.3801 -0.3180 644 GLN A OE1 4667 N NE2 . GLN A 582 ? 0.6223 1.2455 1.6093 0.2367 0.0921 -0.0895 644 GLN A NE2 4668 N N . THR A 583 ? 0.9228 0.8844 0.9686 0.2816 -0.0047 -0.1161 645 THR A N 4669 C CA . THR A 583 ? 0.8417 0.9401 1.0500 0.3572 0.0325 -0.1907 645 THR A CA 4670 C C . THR A 583 ? 0.8626 0.8522 1.0671 0.3729 -0.0082 -0.0320 645 THR A C 4671 O O . THR A 583 ? 0.9327 0.8192 0.9988 0.5174 0.1791 -0.0287 645 THR A O 4672 C CB . THR A 583 ? 0.8864 0.9740 1.0942 0.3084 0.0699 -0.0632 645 THR A CB 4673 O OG1 . THR A 583 ? 0.9746 1.0087 1.0550 0.3853 0.0013 -0.1423 645 THR A OG1 4674 C CG2 . THR A 583 ? 0.8435 0.9831 1.1705 0.2823 0.2293 -0.1544 645 THR A CG2 4675 N N . ASN A 584 ? 0.8330 0.7396 0.8532 0.3795 0.0049 -0.2532 646 ASN A N 4676 C CA . ASN A 584 ? 0.9641 0.6992 1.0401 0.3187 0.0444 -0.1799 646 ASN A CA 4677 C C . ASN A 584 ? 0.8867 0.7844 0.9066 0.3397 0.0431 -0.1804 646 ASN A C 4678 O O . ASN A 584 ? 0.8695 0.6930 0.8691 0.4083 0.0040 -0.2605 646 ASN A O 4679 C CB . ASN A 584 ? 0.9230 0.7431 1.1062 0.3698 -0.0085 -0.2313 646 ASN A CB 4680 C CG . ASN A 584 ? 1.1176 0.8950 0.9793 0.2109 -0.0067 -0.1856 646 ASN A CG 4681 O OD1 . ASN A 584 ? 1.1710 0.7374 1.0673 0.3191 0.0508 -0.1194 646 ASN A OD1 4682 N ND2 . ASN A 584 ? 1.3783 0.7520 0.9065 0.3519 0.0121 -0.1510 646 ASN A ND2 4683 N N . LEU A 585 ? 0.8539 0.7157 0.9392 0.2562 0.0772 -0.1918 647 LEU A N 4684 C CA . LEU A 585 ? 0.6755 0.7613 0.8725 0.2034 0.0693 -0.2246 647 LEU A CA 4685 C C . LEU A 585 ? 0.7014 0.6967 0.7634 0.1713 0.0127 -0.1318 647 LEU A C 4686 O O . LEU A 585 ? 0.7170 0.6566 0.7845 0.1513 0.0899 -0.1285 647 LEU A O 4687 C CB . LEU A 585 ? 0.7532 0.6651 0.8651 0.3336 0.1795 -0.2261 647 LEU A CB 4688 C CG . LEU A 585 ? 0.7620 0.6532 0.9835 0.2122 -0.0323 -0.1463 647 LEU A CG 4689 C CD1 . LEU A 585 ? 0.7619 0.5836 0.9023 0.2386 -0.0162 -0.1021 647 LEU A CD1 4690 C CD2 . LEU A 585 ? 0.7776 0.7499 0.8500 0.2466 0.0624 -0.1540 647 LEU A CD2 4691 N N . SER A 586 ? 0.7757 0.6364 0.8024 0.2427 0.1191 -0.1924 648 SER A N 4692 C CA . SER A 586 ? 0.8612 0.6350 0.8295 0.1519 0.0495 -0.1913 648 SER A CA 4693 C C . SER A 586 ? 0.7651 0.7353 0.9254 0.1835 0.0410 -0.1008 648 SER A C 4694 O O . SER A 586 ? 0.7934 0.7383 0.8844 0.1624 -0.0381 -0.2103 648 SER A O 4695 C CB . SER A 586 ? 0.8820 0.6299 1.0263 0.1936 0.0796 -0.0515 648 SER A CB 4696 O OG . SER A 586 ? 1.0448 0.6703 0.9284 0.1391 -0.0643 -0.1272 648 SER A OG 4697 N N . VAL A 587 ? 0.8304 0.6628 0.8206 0.1508 0.0805 -0.2539 649 VAL A N 4698 C CA . VAL A 587 ? 0.7730 0.6753 0.8137 0.1467 0.0123 -0.2886 649 VAL A CA 4699 C C . VAL A 587 ? 0.7535 0.7656 0.8961 0.2472 0.0413 -0.2580 649 VAL A C 4700 O O . VAL A 587 ? 0.7620 0.8399 0.7847 0.2607 0.1208 -0.2653 649 VAL A O 4701 C CB . VAL A 587 ? 0.8798 0.7645 0.8837 0.2060 0.1184 -0.2140 649 VAL A CB 4702 C CG1 . VAL A 587 ? 0.9106 0.7790 0.8674 0.2732 0.0756 -0.2869 649 VAL A CG1 4703 C CG2 . VAL A 587 ? 0.9577 0.8031 0.8458 0.2485 0.0473 -0.2286 649 VAL A CG2 4704 N N . ILE A 588 ? 0.6024 0.7021 0.7981 0.2251 0.1090 -0.1910 650 ILE A N 4705 C CA . ILE A 588 ? 0.6677 0.5825 0.7363 0.1000 0.1250 -0.1425 650 ILE A CA 4706 C C . ILE A 588 ? 0.6259 0.5764 0.7199 0.1405 0.0745 -0.2090 650 ILE A C 4707 O O . ILE A 588 ? 0.6324 0.6169 0.7270 0.1991 0.1459 -0.2157 650 ILE A O 4708 C CB . ILE A 588 ? 0.6259 0.5995 0.6919 0.1495 0.1307 -0.2092 650 ILE A CB 4709 C CG1 . ILE A 588 ? 0.5293 0.7013 0.7099 0.1710 0.1158 -0.1922 650 ILE A CG1 4710 C CG2 . ILE A 588 ? 0.6507 0.5905 0.5800 0.1833 0.1271 -0.1489 650 ILE A CG2 4711 C CD1 . ILE A 588 ? 0.5881 0.7229 0.6698 0.1382 0.1478 -0.2975 650 ILE A CD1 4712 N N . PRO A 589 ? 0.6241 0.5845 0.6845 0.1462 0.0835 -0.1908 651 PRO A N 4713 C CA . PRO A 589 ? 0.5877 0.6146 0.6698 0.0853 0.0460 -0.1360 651 PRO A CA 4714 C C . PRO A 589 ? 0.4381 0.5904 0.7091 0.0989 0.0748 -0.1968 651 PRO A C 4715 O O . PRO A 589 ? 0.5851 0.5887 0.6421 0.0265 0.1184 -0.2426 651 PRO A O 4716 C CB . PRO A 589 ? 0.6464 0.5716 0.6427 0.1384 0.0533 -0.2124 651 PRO A CB 4717 C CG . PRO A 589 ? 0.6573 0.5996 0.6379 0.0704 0.1130 -0.1073 651 PRO A CG 4718 C CD . PRO A 589 ? 0.6496 0.6380 0.6143 0.1308 0.1093 -0.1980 651 PRO A CD 4719 N N . VAL A 590 ? 0.6023 0.5344 0.6858 0.0581 -0.0393 -0.1208 652 VAL A N 4720 C CA . VAL A 590 ? 0.5592 0.5460 0.6726 0.0592 0.0518 -0.1816 652 VAL A CA 4721 C C . VAL A 590 ? 0.4899 0.5282 0.6493 0.0762 0.0349 -0.1438 652 VAL A C 4722 O O . VAL A 590 ? 0.4348 0.5731 0.6243 0.0787 0.0727 -0.1531 652 VAL A O 4723 C CB . VAL A 590 ? 0.5417 0.5046 0.7287 0.0556 -0.0222 -0.0937 652 VAL A CB 4724 C CG1 . VAL A 590 ? 0.5336 0.5243 0.7543 0.0524 -0.0054 -0.1085 652 VAL A CG1 4725 C CG2 . VAL A 590 ? 0.5904 0.5215 0.7105 0.0394 -0.0969 -0.0401 652 VAL A CG2 4726 N N . ILE A 591 ? 0.4605 0.4924 0.6027 0.0492 0.0297 -0.1936 653 ILE A N 4727 C CA . ILE A 591 ? 0.4437 0.4958 0.5670 0.0255 0.0463 -0.1536 653 ILE A CA 4728 C C . ILE A 591 ? 0.3938 0.5416 0.5577 0.0644 0.0724 -0.1290 653 ILE A C 4729 O O . ILE A 591 ? 0.4196 0.5271 0.5646 0.1069 0.0680 -0.1227 653 ILE A O 4730 C CB . ILE A 591 ? 0.4442 0.5194 0.5296 0.0441 0.0788 -0.1184 653 ILE A CB 4731 C CG1 . ILE A 591 ? 0.4294 0.5179 0.5247 0.0298 0.0432 -0.1130 653 ILE A CG1 4732 C CG2 . ILE A 591 ? 0.4758 0.5547 0.5876 0.0259 0.1001 -0.1178 653 ILE A CG2 4733 C CD1 . ILE A 591 ? 0.4168 0.5223 0.5872 -0.0021 0.0466 -0.0450 653 ILE A CD1 4734 N N . ASN A 592 ? 0.4527 0.5561 0.5710 0.0834 0.0897 -0.1549 654 ASN A N 4735 C CA . ASN A 592 ? 0.4386 0.5426 0.5890 0.0658 0.1121 -0.1592 654 ASN A CA 4736 C C . ASN A 592 ? 0.4872 0.5822 0.5541 0.0456 0.0749 -0.1404 654 ASN A C 4737 O O . ASN A 592 ? 0.4286 0.6201 0.5747 0.0580 0.0670 -0.1166 654 ASN A O 4738 C CB . ASN A 592 ? 0.4477 0.5145 0.5993 0.0309 0.0838 -0.1582 654 ASN A CB 4739 C CG . ASN A 592 ? 0.4437 0.5571 0.6163 0.0433 0.1055 -0.0977 654 ASN A CG 4740 O OD1 . ASN A 592 ? 0.4813 0.5642 0.5163 0.0819 0.0704 -0.1557 654 ASN A OD1 4741 N ND2 . ASN A 592 ? 0.5184 0.5645 0.5643 0.0982 0.1073 -0.1147 654 ASN A ND2 4742 N N . ARG A 593 ? 0.4841 0.5909 0.6016 0.1138 0.0941 -0.1435 655 ARG A N 4743 C CA . ARG A 593 ? 0.5077 0.5995 0.5837 0.1079 0.0802 -0.1149 655 ARG A CA 4744 C C . ARG A 593 ? 0.4193 0.5502 0.6305 0.0692 0.0752 -0.1136 655 ARG A C 4745 O O . ARG A 593 ? 0.4202 0.6293 0.7038 0.0521 0.0737 -0.1271 655 ARG A O 4746 C CB . ARG A 593 ? 0.5262 0.6041 0.6147 0.1326 0.0974 -0.1097 655 ARG A CB 4747 C CG . ARG A 593 ? 0.5470 0.6177 0.6985 0.1319 -0.0278 -0.1322 655 ARG A CG 4748 C CD . ARG A 593 ? 0.6234 0.5899 0.7998 0.1337 0.0849 -0.0800 655 ARG A CD 4749 N NE . ARG A 593 ? 0.5599 0.6309 0.7797 0.1276 0.1056 -0.1697 655 ARG A NE 4750 C CZ . ARG A 593 ? 0.5256 0.5774 0.7207 0.1473 0.0928 -0.1857 655 ARG A CZ 4751 N NH1 . ARG A 593 ? 0.6075 0.6602 0.7482 0.1673 0.0572 -0.1536 655 ARG A NH1 4752 N NH2 . ARG A 593 ? 0.5660 0.6112 0.7015 0.1130 0.0888 -0.1811 655 ARG A NH2 4753 N N . ALA A 594 ? 0.4148 0.4908 0.6117 0.0636 0.0488 -0.1434 656 ALA A N 4754 C CA . ALA A 594 ? 0.4047 0.5444 0.5310 0.0890 0.0511 -0.1190 656 ALA A CA 4755 C C . ALA A 594 ? 0.3626 0.5765 0.5353 -0.0029 0.1056 -0.1067 656 ALA A C 4756 O O . ALA A 594 ? 0.3637 0.6348 0.5458 0.0019 0.0976 -0.1024 656 ALA A O 4757 C CB . ALA A 594 ? 0.4419 0.4779 0.4758 0.0362 0.0718 -0.1835 656 ALA A CB 4758 N N . GLN A 595 ? 0.3123 0.5879 0.5714 0.0605 0.1099 -0.0657 657 GLN A N 4759 C CA . GLN A 595 ? 0.3689 0.5423 0.5927 0.0802 0.0433 -0.1090 657 GLN A CA 4760 C C . GLN A 595 ? 0.4179 0.5762 0.6215 0.0513 0.1210 -0.0955 657 GLN A C 4761 O O . GLN A 595 ? 0.3800 0.6105 0.5755 0.0170 0.1143 -0.1147 657 GLN A O 4762 C CB . GLN A 595 ? 0.4214 0.5369 0.5507 0.0682 0.0413 -0.1436 657 GLN A CB 4763 C CG . GLN A 595 ? 0.3848 0.6005 0.5222 0.0695 0.0972 -0.1287 657 GLN A CG 4764 C CD . GLN A 595 ? 0.4676 0.6035 0.5003 0.0956 0.1214 -0.1311 657 GLN A CD 4765 O OE1 . GLN A 595 ? 0.4596 0.5565 0.5481 0.0433 0.1336 -0.1360 657 GLN A OE1 4766 N NE2 . GLN A 595 ? 0.4291 0.6060 0.4599 0.1379 0.1527 -0.1878 657 GLN A NE2 4767 N N . VAL A 596 ? 0.3921 0.6070 0.5595 0.0951 0.0510 -0.0938 658 VAL A N 4768 C CA . VAL A 596 ? 0.4214 0.6089 0.5805 0.0969 0.1202 -0.1070 658 VAL A CA 4769 C C . VAL A 596 ? 0.4087 0.6510 0.6394 0.0452 0.1120 -0.1569 658 VAL A C 4770 O O . VAL A 596 ? 0.4805 0.6783 0.6378 0.0325 0.1588 -0.0708 658 VAL A O 4771 C CB . VAL A 596 ? 0.4493 0.6872 0.6370 0.0998 0.2221 -0.2102 658 VAL A CB 4772 C CG1 . VAL A 596 ? 0.5511 0.7244 0.7174 0.0691 -0.0357 -0.1328 658 VAL A CG1 4773 C CG2 . VAL A 596 ? 0.4416 0.6955 0.6291 0.1272 0.2452 -0.1970 658 VAL A CG2 4774 N N . ILE A 597 ? 0.4024 0.5806 0.6278 0.0773 0.0631 -0.1549 659 ILE A N 4775 C CA . ILE A 597 ? 0.4253 0.6714 0.5509 0.1037 0.0893 -0.1005 659 ILE A CA 4776 C C . ILE A 597 ? 0.3885 0.6273 0.5394 0.0104 0.0800 -0.0847 659 ILE A C 4777 O O . ILE A 597 ? 0.3718 0.6377 0.4827 0.0282 0.1015 -0.0832 659 ILE A O 4778 C CB . ILE A 597 ? 0.4251 0.5891 0.6426 0.0850 0.0472 -0.0824 659 ILE A CB 4779 C CG1 . ILE A 597 ? 0.3963 0.6223 0.7521 0.0994 0.0826 -0.0988 659 ILE A CG1 4780 C CG2 . ILE A 597 ? 0.3405 0.5988 0.6145 0.0388 0.0992 -0.0538 659 ILE A CG2 4781 C CD1 . ILE A 597 ? 0.4403 0.7055 0.7115 0.0449 0.0521 -0.0833 659 ILE A CD1 4782 N N . TYR A 598 ? 0.3914 0.5935 0.4985 0.0682 0.0143 -0.0692 660 TYR A N 4783 C CA . TYR A 598 ? 0.3933 0.5965 0.4641 0.0357 0.0154 -0.0690 660 TYR A CA 4784 C C . TYR A 598 ? 0.3133 0.6422 0.5443 0.0049 0.0379 -0.0550 660 TYR A C 4785 O O . TYR A 598 ? 0.2897 0.5846 0.5401 0.0183 0.0928 -0.0570 660 TYR A O 4786 C CB . TYR A 598 ? 0.3984 0.6133 0.4635 -0.0107 0.0201 -0.0341 660 TYR A CB 4787 C CG . TYR A 598 ? 0.3882 0.4827 0.5123 0.0119 0.0119 -0.0324 660 TYR A CG 4788 C CD1 . TYR A 598 ? 0.4085 0.5368 0.5155 0.0707 0.0782 -0.0441 660 TYR A CD1 4789 C CD2 . TYR A 598 ? 0.3662 0.5077 0.5394 0.0259 -0.0025 -0.0486 660 TYR A CD2 4790 C CE1 . TYR A 598 ? 0.4744 0.5233 0.5390 -0.0244 0.0591 -0.0627 660 TYR A CE1 4791 C CE2 . TYR A 598 ? 0.3964 0.5525 0.5507 0.0480 0.0362 -0.0573 660 TYR A CE2 4792 C CZ . TYR A 598 ? 0.3520 0.5463 0.5326 0.0204 0.0549 -0.0501 660 TYR A CZ 4793 O OH . TYR A 598 ? 0.3658 0.5556 0.5758 0.0327 0.0597 0.0000 660 TYR A OH 4794 N N . ASP A 599 ? 0.3983 0.5991 0.5283 0.0147 0.0915 -0.0737 661 ASP A N 4795 C CA . ASP A 599 ? 0.4372 0.6464 0.5224 -0.0525 0.1348 -0.0700 661 ASP A CA 4796 C C . ASP A 599 ? 0.4159 0.6376 0.4783 0.0382 -0.0063 -0.0490 661 ASP A C 4797 O O . ASP A 599 ? 0.4056 0.6956 0.5527 0.0036 0.1264 -0.0762 661 ASP A O 4798 C CB . ASP A 599 ? 0.3936 0.6238 0.5416 0.0380 0.0960 -0.1213 661 ASP A CB 4799 C CG . ASP A 599 ? 0.3938 0.6726 0.5197 -0.0067 0.1088 -0.0553 661 ASP A CG 4800 O OD1 . ASP A 599 ? 0.3943 0.5978 0.4628 0.0777 0.0796 -0.0540 661 ASP A OD1 4801 O OD2 . ASP A 599 ? 0.3887 0.5259 0.5377 0.0185 0.0780 -0.1402 661 ASP A OD2 4802 N N . SER A 600 ? 0.3643 0.6851 0.5194 0.0705 0.1299 -0.1164 662 SER A N 4803 C CA . SER A 600 ? 0.3697 0.6958 0.5936 0.0431 0.0952 -0.1004 662 SER A CA 4804 C C . SER A 600 ? 0.4203 0.6219 0.5951 0.0017 0.1129 -0.0554 662 SER A C 4805 O O . SER A 600 ? 0.3486 0.7769 0.5731 -0.0335 0.1106 -0.0304 662 SER A O 4806 C CB . SER A 600 ? 0.4092 0.6998 0.6417 0.0699 0.1054 -0.0590 662 SER A CB 4807 O OG . SER A 600 ? 0.4006 0.6068 0.7420 0.0393 0.1459 -0.0509 662 SER A OG 4808 N N . PHE A 601 ? 0.3348 0.6897 0.5986 0.0665 0.1364 -0.0549 663 PHE A N 4809 C CA . PHE A 601 ? 0.4146 0.6507 0.5614 0.0231 0.1007 -0.0243 663 PHE A CA 4810 C C . PHE A 601 ? 0.3495 0.6541 0.5874 -0.0187 0.0780 -0.0361 663 PHE A C 4811 O O . PHE A 601 ? 0.2847 0.7014 0.5071 -0.0196 0.0724 -0.0415 663 PHE A O 4812 C CB . PHE A 601 ? 0.3593 0.7318 0.5155 -0.0046 0.0107 -0.0171 663 PHE A CB 4813 C CG . PHE A 601 ? 0.3541 0.6430 0.5071 -0.0016 0.1292 -0.0216 663 PHE A CG 4814 C CD1 . PHE A 601 ? 0.4147 0.6650 0.5754 -0.0029 0.0454 0.0514 663 PHE A CD1 4815 C CD2 . PHE A 601 ? 0.3935 0.6687 0.5407 -0.0500 0.0684 -0.0207 663 PHE A CD2 4816 C CE1 . PHE A 601 ? 0.3597 0.7078 0.5943 0.0562 0.1137 -0.0378 663 PHE A CE1 4817 C CE2 . PHE A 601 ? 0.3502 0.6903 0.5881 -0.0340 0.0814 -0.0447 663 PHE A CE2 4818 C CZ . PHE A 601 ? 0.3376 0.7037 0.5723 0.0148 0.0749 -0.0038 663 PHE A CZ 4819 N N . ASN A 602 ? 0.3954 0.6465 0.4981 -0.0224 0.0696 0.0161 664 ASN A N 4820 C CA . ASN A 602 ? 0.3428 0.6855 0.5315 -0.0187 0.0574 0.0026 664 ASN A CA 4821 C C . ASN A 602 ? 0.3175 0.6700 0.5882 -0.0647 0.1072 -0.0675 664 ASN A C 4822 O O . ASN A 602 ? 0.3573 0.6878 0.5647 -0.0264 0.1017 -0.0947 664 ASN A O 4823 C CB . ASN A 602 ? 0.3374 0.6873 0.4999 -0.0563 0.0734 -0.0556 664 ASN A CB 4824 C CG . ASN A 602 ? 0.3019 0.5829 0.5103 -0.0168 0.0407 -0.0383 664 ASN A CG 4825 O OD1 . ASN A 602 ? 0.3353 0.5959 0.4879 -0.0420 0.0626 -0.0142 664 ASN A OD1 4826 N ND2 . ASN A 602 ? 0.3172 0.5198 0.4697 -0.0754 0.1441 -0.0633 664 ASN A ND2 4827 N N . LEU A 603 ? 0.3538 0.6852 0.5536 -0.0253 0.1052 -0.0535 665 LEU A N 4828 C CA . LEU A 603 ? 0.3870 0.7201 0.5298 -0.0662 0.0985 -0.0658 665 LEU A CA 4829 C C . LEU A 603 ? 0.3793 0.6953 0.5858 -0.0091 0.0877 -0.0913 665 LEU A C 4830 O O . LEU A 603 ? 0.4167 0.7810 0.6580 -0.0562 0.0406 -0.0294 665 LEU A O 4831 C CB . LEU A 603 ? 0.4037 0.6142 0.6204 -0.0634 0.0663 -0.0707 665 LEU A CB 4832 C CG . LEU A 603 ? 0.3761 0.6585 0.5627 0.0010 0.0901 -0.0632 665 LEU A CG 4833 C CD1 . LEU A 603 ? 0.4270 0.7082 0.5435 -0.0333 0.0643 -0.1286 665 LEU A CD1 4834 C CD2 . LEU A 603 ? 0.3042 0.6617 0.5082 0.0061 0.1376 -0.0621 665 LEU A CD2 4835 N N . ALA A 604 ? 0.3424 0.7169 0.5920 0.0185 0.1612 -0.0567 666 ALA A N 4836 C CA . ALA A 604 ? 0.3672 0.7456 0.6405 0.0044 0.1022 -0.0400 666 ALA A CA 4837 C C . ALA A 604 ? 0.3886 0.7566 0.6798 -0.0664 0.0579 -0.0302 666 ALA A C 4838 O O . ALA A 604 ? 0.2965 0.8230 0.7015 -0.0447 0.1657 -0.0185 666 ALA A O 4839 C CB . ALA A 604 ? 0.3718 0.7726 0.5877 0.0005 0.1356 -0.0455 666 ALA A CB 4840 N N . THR A 605 ? 0.4002 0.7428 0.6518 -0.0244 0.0398 -0.0545 667 THR A N 4841 C CA . THR A 605 ? 0.3752 0.7192 0.6256 0.0011 0.0806 -0.0320 667 THR A CA 4842 C C . THR A 605 ? 0.3078 0.7370 0.5986 -0.0408 0.1078 -0.0703 667 THR A C 4843 O O . THR A 605 ? 0.3568 0.7546 0.5770 -0.0788 0.0352 -0.0236 667 THR A O 4844 C CB . THR A 605 ? 0.3582 0.6433 0.6113 -0.0917 0.0384 -0.0016 667 THR A CB 4845 O OG1 . THR A 605 ? 0.2527 0.6669 0.5902 -0.0248 0.0848 -0.0169 667 THR A OG1 4846 C CG2 . THR A 605 ? 0.3989 0.7309 0.5054 -0.0620 0.0308 -0.0200 667 THR A CG2 4847 N N . ALA A 606 ? 0.3761 0.7393 0.6064 0.0030 0.0843 -0.0454 668 ALA A N 4848 C CA . ALA A 606 ? 0.3600 0.7479 0.6257 -0.0741 0.0817 -0.0248 668 ALA A CA 4849 C C . ALA A 606 ? 0.3917 0.6927 0.5931 -0.0908 0.0936 -0.0430 668 ALA A C 4850 O O . ALA A 606 ? 0.4078 0.7816 0.6009 -0.0759 0.1782 0.0388 668 ALA A O 4851 C CB . ALA A 606 ? 0.4338 0.6658 0.5191 -0.0343 0.0530 -0.0261 668 ALA A CB 4852 N N . HIS A 607 ? 0.3377 0.7479 0.6177 -0.1182 0.0434 -0.0598 669 HIS A N 4853 C CA . HIS A 607 ? 0.3288 0.8152 0.7018 -0.0833 0.0549 -0.0123 669 HIS A CA 4854 C C . HIS A 607 ? 0.4128 0.8160 0.7339 -0.1480 0.1108 -0.0637 669 HIS A C 4855 O O . HIS A 607 ? 0.4366 0.8959 0.7265 -0.0979 0.1706 -0.0276 669 HIS A O 4856 C CB . HIS A 607 ? 0.3497 0.7964 0.7762 -0.0968 0.0813 -0.0330 669 HIS A CB 4857 C CG . HIS A 607 ? 0.5684 0.7645 0.7677 -0.1376 0.0319 0.0018 669 HIS A CG 4858 N ND1 . HIS A 607 ? 0.7374 0.7894 0.7466 -0.1915 -0.0105 0.0039 669 HIS A ND1 4859 C CD2 . HIS A 607 ? 0.5107 0.8522 0.6711 -0.0664 0.0826 -0.0332 669 HIS A CD2 4860 C CE1 . HIS A 607 ? 0.8069 0.8024 0.7255 -0.0899 0.0243 0.0745 669 HIS A CE1 4861 N NE2 . HIS A 607 ? 0.7071 0.8010 0.6582 -0.1482 0.0030 0.0501 669 HIS A NE2 4862 N N . MET A 608 ? 0.4588 0.7892 0.7177 -0.1574 0.0244 -0.0306 670 MET A N 4863 C CA . MET A 608 ? 0.3849 0.7887 0.6677 -0.0715 0.1039 -0.0222 670 MET A CA 4864 C C . MET A 608 ? 0.3965 0.8617 0.6625 0.0105 0.1328 -0.0485 670 MET A C 4865 O O . MET A 608 ? 0.4786 0.8785 0.6072 0.0126 0.1458 -0.0264 670 MET A O 4866 C CB . MET A 608 ? 0.3764 0.7861 0.6575 -0.0554 0.1231 -0.0033 670 MET A CB 4867 C CG . MET A 608 ? 0.4090 0.7966 0.6588 -0.0482 0.0670 0.0292 670 MET A CG 4868 S SD . MET A 608 ? 0.4086 0.7512 0.7009 -0.0413 0.0768 -0.0063 670 MET A SD 4869 C CE . MET A 608 ? 0.4005 0.7665 0.6900 -0.0933 -0.0007 -0.0956 670 MET A CE 4870 N N . VAL A 609 ? 0.3869 0.8458 0.6554 -0.0194 0.1210 -0.0856 671 VAL A N 4871 C CA . VAL A 609 ? 0.4583 0.8116 0.6961 -0.0015 0.0643 -0.0303 671 VAL A CA 4872 C C . VAL A 609 ? 0.3289 0.8698 0.7418 -0.0769 0.0888 -0.1008 671 VAL A C 4873 O O . VAL A 609 ? 0.4308 0.8555 0.7206 -0.1242 0.0626 -0.1360 671 VAL A O 4874 C CB . VAL A 609 ? 0.3910 0.8370 0.6858 -0.0052 0.1155 -0.0949 671 VAL A CB 4875 C CG1 . VAL A 609 ? 0.3889 0.8061 0.6916 0.0246 0.1104 -0.1426 671 VAL A CG1 4876 C CG2 . VAL A 609 ? 0.3528 0.7763 0.7707 0.0434 0.1591 -0.0499 671 VAL A CG2 4877 N N . PRO A 610 ? 0.3852 0.8997 0.7505 0.0026 0.1131 -0.0612 672 PRO A N 4878 C CA . PRO A 610 ? 0.4161 0.9538 0.7439 0.0006 0.1258 -0.0056 672 PRO A CA 4879 C C . PRO A 610 ? 0.4410 0.8868 0.7768 -0.0756 0.1100 -0.0556 672 PRO A C 4880 O O . PRO A 610 ? 0.3298 0.8196 0.8297 -0.0555 0.1342 -0.0318 672 PRO A O 4881 C CB . PRO A 610 ? 0.5012 0.9015 0.8131 0.0803 0.1278 0.0014 672 PRO A CB 4882 C CG . PRO A 610 ? 0.4918 1.0411 0.8322 0.0313 0.0612 -0.0266 672 PRO A CG 4883 C CD . PRO A 610 ? 0.4278 0.9298 0.7875 -0.0363 0.1437 -0.0882 672 PRO A CD 4884 N N . VAL A 611 ? 0.3518 0.8412 0.7920 -0.1207 0.0869 -0.0374 673 VAL A N 4885 C CA . VAL A 611 ? 0.4570 0.8659 0.6845 0.0219 0.1291 0.0054 673 VAL A CA 4886 C C . VAL A 611 ? 0.3673 0.8875 0.7482 -0.0016 0.0771 -0.0216 673 VAL A C 4887 O O . VAL A 611 ? 0.3167 0.9473 0.6228 0.0246 0.0791 -0.0630 673 VAL A O 4888 C CB . VAL A 611 ? 0.3600 0.7885 0.7443 -0.0318 0.0626 -0.0197 673 VAL A CB 4889 C CG1 . VAL A 611 ? 0.3531 0.8156 0.7523 -0.0188 0.1117 0.0869 673 VAL A CG1 4890 C CG2 . VAL A 611 ? 0.3407 0.7537 0.7304 -0.0014 0.0693 -0.0724 673 VAL A CG2 4891 N N . THR A 612 ? 0.4000 0.8835 0.8156 0.0134 0.1281 -0.0412 674 THR A N 4892 C CA . THR A 612 ? 0.3927 0.9209 0.7427 0.0787 0.0778 -0.0006 674 THR A CA 4893 C C . THR A 612 ? 0.2400 0.9110 0.8691 0.0698 0.0658 0.0162 674 THR A C 4894 O O . THR A 612 ? 0.3941 0.9192 0.7551 0.0028 0.1108 -0.0425 674 THR A O 4895 C CB . THR A 612 ? 0.3436 0.9871 0.8435 -0.0123 0.0410 0.0625 674 THR A CB 4896 O OG1 . THR A 612 ? 0.4193 1.0434 0.8388 -0.1286 0.0846 0.0173 674 THR A OG1 4897 C CG2 . THR A 612 ? 0.3758 0.9731 0.8474 0.0530 0.0423 -0.0001 674 THR A CG2 4898 N N . LEU A 613 ? 0.3439 0.8630 0.7476 0.0837 0.0767 -0.0683 675 LEU A N 4899 C CA . LEU A 613 ? 0.3849 0.8331 0.7423 0.0722 0.1211 -0.0681 675 LEU A CA 4900 C C . LEU A 613 ? 0.3210 0.8578 0.7745 0.0778 0.0676 -0.1000 675 LEU A C 4901 O O . LEU A 613 ? 0.4221 0.8716 0.7935 0.0383 0.1288 -0.0423 675 LEU A O 4902 C CB . LEU A 613 ? 0.4596 0.8173 0.7173 0.1179 0.1051 -0.0732 675 LEU A CB 4903 C CG . LEU A 613 ? 0.3965 0.9172 0.7824 -0.0114 0.1115 0.0005 675 LEU A CG 4904 C CD1 . LEU A 613 ? 0.3536 0.8820 0.7978 0.0299 0.1353 -0.0024 675 LEU A CD1 4905 C CD2 . LEU A 613 ? 0.4441 0.9073 0.6845 0.1866 0.0907 0.0475 675 LEU A CD2 4906 N N . ALA A 614 ? 0.3638 0.7555 0.7386 0.0144 0.0846 -0.0797 676 ALA A N 4907 C CA . ALA A 614 ? 0.3621 0.7481 0.6787 0.0407 0.0546 -0.0636 676 ALA A CA 4908 C C . ALA A 614 ? 0.3758 0.7653 0.6763 0.0305 0.0971 -0.0578 676 ALA A C 4909 O O . ALA A 614 ? 0.3961 0.7520 0.5971 0.0270 0.0578 -0.1249 676 ALA A O 4910 C CB . ALA A 614 ? 0.2769 0.7532 0.6883 0.0701 0.0199 -0.0488 676 ALA A CB 4911 N N . LEU A 615 ? 0.4318 0.8677 0.7247 0.1240 0.0255 -0.0471 677 LEU A N 4912 C CA . LEU A 615 ? 0.4970 0.8239 0.7233 0.0846 0.0466 -0.0001 677 LEU A CA 4913 C C . LEU A 615 ? 0.5294 0.8751 0.7767 0.0739 0.0563 -0.0358 677 LEU A C 4914 O O . LEU A 615 ? 0.3685 0.8868 0.7489 0.0911 0.1136 -0.0758 677 LEU A O 4915 C CB . LEU A 615 ? 0.4380 0.8203 0.8098 0.0087 0.1104 -0.0197 677 LEU A CB 4916 C CG . LEU A 615 ? 0.4275 0.8554 0.7100 0.0343 0.0611 -0.0055 677 LEU A CG 4917 C CD1 . LEU A 615 ? 0.4743 0.8815 0.6975 -0.0090 0.0197 0.0087 677 LEU A CD1 4918 C CD2 . LEU A 615 ? 0.3396 0.8191 0.6614 -0.0916 -0.0660 -0.0307 677 LEU A CD2 4919 N N . ASP A 616 ? 0.3974 0.8787 0.7413 0.0910 0.0117 -0.0489 678 ASP A N 4920 C CA . ASP A 616 ? 0.4586 0.8158 0.7319 0.1385 0.0003 -0.0204 678 ASP A CA 4921 C C . ASP A 616 ? 0.4069 0.7964 0.7854 0.1113 0.1908 0.0003 678 ASP A C 4922 O O . ASP A 616 ? 0.4333 0.7676 0.7882 0.1787 0.1447 -0.0259 678 ASP A O 4923 C CB . ASP A 616 ? 0.4131 0.8553 0.7891 0.0726 0.0953 -0.1017 678 ASP A CB 4924 C CG . ASP A 616 ? 0.4123 0.8786 0.8427 0.0943 0.0102 -0.0134 678 ASP A CG 4925 O OD1 . ASP A 616 ? 0.3582 0.9094 0.7699 0.1511 0.0906 -0.0543 678 ASP A OD1 4926 O OD2 . ASP A 616 ? 0.5655 0.9159 0.8631 0.1566 0.2043 -0.0468 678 ASP A OD2 4927 N N . ASN A 617 ? 0.4122 0.7720 0.7751 0.0919 0.1277 -0.0021 679 ASN A N 4928 C CA . ASN A 617 ? 0.4139 0.7463 0.7751 0.1386 0.0906 -0.0468 679 ASN A CA 4929 C C . ASN A 617 ? 0.4112 0.7195 0.7379 0.1324 0.1326 -0.0913 679 ASN A C 4930 O O . ASN A 617 ? 0.4529 0.7921 0.7030 0.0936 0.0541 -0.0938 679 ASN A O 4931 C CB . ASN A 617 ? 0.3884 0.7556 0.6597 0.0917 -0.0069 -0.0641 679 ASN A CB 4932 C CG . ASN A 617 ? 0.5105 0.7090 0.7258 0.0497 0.1357 -0.0411 679 ASN A CG 4933 O OD1 . ASN A 617 ? 0.4716 0.8364 0.7708 0.0837 0.1835 -0.0679 679 ASN A OD1 4934 N ND2 . ASN A 617 ? 0.4385 0.7462 0.6571 0.1201 0.0953 -0.0726 679 ASN A ND2 4935 N N . THR A 618 ? 0.4430 0.7165 0.7062 0.1549 0.1230 -0.0780 680 THR A N 4936 C CA . THR A 618 ? 0.4543 0.7268 0.7261 0.1694 0.0494 -0.0299 680 THR A CA 4937 C C . THR A 618 ? 0.4193 0.7527 0.7350 0.1713 0.0672 -0.0707 680 THR A C 4938 O O . THR A 618 ? 0.5128 0.6691 0.7932 0.1474 0.0900 -0.1072 680 THR A O 4939 C CB . THR A 618 ? 0.3892 0.7335 0.7362 0.1322 0.0809 -0.0361 680 THR A CB 4940 O OG1 . THR A 618 ? 0.3601 0.7388 0.7209 0.1256 0.1285 -0.0953 680 THR A OG1 4941 C CG2 . THR A 618 ? 0.5004 0.6301 0.6364 0.0816 0.0323 -0.0620 680 THR A CG2 4942 N N . LEU A 619 ? 0.3638 0.8384 0.7882 0.1667 0.0651 -0.0769 681 LEU A N 4943 C CA . LEU A 619 ? 0.4126 0.7994 0.8324 0.1485 0.0645 -0.0485 681 LEU A CA 4944 C C . LEU A 619 ? 0.5441 0.7672 0.8842 0.1542 -0.0058 -0.0524 681 LEU A C 4945 O O . LEU A 619 ? 0.4935 0.8160 0.8022 0.2032 0.2230 -0.0076 681 LEU A O 4946 C CB . LEU A 619 ? 0.4768 0.8648 0.8383 0.2210 0.1452 -0.0431 681 LEU A CB 4947 C CG . LEU A 619 ? 0.4915 0.8970 0.7931 0.1993 0.1620 -0.0651 681 LEU A CG 4948 C CD1 . LEU A 619 ? 0.4564 0.8826 0.8519 0.1418 0.1868 -0.0964 681 LEU A CD1 4949 C CD2 . LEU A 619 ? 0.4031 0.9609 0.7256 0.2299 0.1424 -0.1819 681 LEU A CD2 4950 N N . PHE A 620 ? 0.4304 0.8414 0.9158 0.1133 0.0432 -0.1254 682 PHE A N 4951 C CA . PHE A 620 ? 0.5315 0.7050 0.8250 0.1613 0.0831 -0.0693 682 PHE A CA 4952 C C . PHE A 620 ? 0.5470 0.6921 0.7669 0.1868 0.0788 -0.0690 682 PHE A C 4953 O O . PHE A 620 ? 0.5882 0.6843 0.7534 0.1489 0.0584 -0.0969 682 PHE A O 4954 C CB . PHE A 620 ? 0.5850 0.7905 0.6749 0.1572 0.1315 -0.1580 682 PHE A CB 4955 C CG . PHE A 620 ? 0.5020 0.7712 0.7731 0.1265 0.0662 -0.1104 682 PHE A CG 4956 C CD1 . PHE A 620 ? 0.4511 0.7505 0.8045 0.1466 0.0448 -0.0663 682 PHE A CD1 4957 C CD2 . PHE A 620 ? 0.5587 0.7249 0.7661 0.1496 0.1020 -0.0250 682 PHE A CD2 4958 C CE1 . PHE A 620 ? 0.4790 0.7613 0.6954 0.1575 0.0870 -0.0367 682 PHE A CE1 4959 C CE2 . PHE A 620 ? 0.5081 0.7073 0.8783 0.1266 0.0155 -0.0620 682 PHE A CE2 4960 C CZ . PHE A 620 ? 0.4771 0.6951 0.7695 0.1754 0.0948 -0.1190 682 PHE A CZ 4961 N N . LEU A 621 ? 0.5669 0.7382 0.7780 0.1626 0.1267 -0.1039 683 LEU A N 4962 C CA . LEU A 621 ? 0.5730 0.6567 0.7435 0.1851 0.1017 -0.0488 683 LEU A CA 4963 C C . LEU A 621 ? 0.4960 0.6263 0.6745 0.1839 0.0297 -0.1079 683 LEU A C 4964 O O . LEU A 621 ? 0.4991 0.6265 0.7397 0.1739 0.0003 -0.0956 683 LEU A O 4965 C CB . LEU A 621 ? 0.6211 0.6717 0.7319 0.1558 0.0262 -0.0613 683 LEU A CB 4966 C CG . LEU A 621 ? 0.4921 0.6478 0.7533 0.1057 0.0325 -0.0711 683 LEU A CG 4967 C CD1 . LEU A 621 ? 0.5856 0.5908 0.7180 0.2435 0.0354 -0.0318 683 LEU A CD1 4968 C CD2 . LEU A 621 ? 0.4728 0.6391 0.8072 0.2002 -0.0371 -0.0242 683 LEU A CD2 4969 N N . ASN A 622 ? 0.5388 0.7622 0.8234 0.2728 0.0324 -0.0721 684 ASN A N 4970 C CA . ASN A 622 ? 0.5552 0.7440 0.9193 0.2118 0.0294 -0.0451 684 ASN A CA 4971 C C . ASN A 622 ? 0.6978 0.7857 0.9102 0.1415 -0.0173 -0.0378 684 ASN A C 4972 O O . ASN A 622 ? 0.6401 0.7633 0.9665 0.2952 0.0674 -0.0261 684 ASN A O 4973 C CB . ASN A 622 ? 0.5717 0.8684 0.9428 0.2948 0.1405 -0.0165 684 ASN A CB 4974 C CG . ASN A 622 ? 0.5095 0.7792 0.8561 0.2638 -0.0159 -0.1009 684 ASN A CG 4975 O OD1 . ASN A 622 ? 0.5374 0.7772 0.8813 0.2086 -0.0450 -0.0874 684 ASN A OD1 4976 N ND2 . ASN A 622 ? 0.6607 0.8459 1.0312 0.3577 0.0362 -0.0845 684 ASN A ND2 4977 N N . GLY A 623 ? 0.5307 0.6709 0.8658 0.2678 0.0254 -0.0440 685 GLY A N 4978 C CA . GLY A 623 ? 0.5907 0.8261 0.9071 0.1404 0.0738 -0.0880 685 GLY A CA 4979 C C . GLY A 623 ? 0.6699 0.6461 0.9578 0.2054 0.0042 -0.0596 685 GLY A C 4980 O O . GLY A 623 ? 0.8760 0.5363 0.8459 0.1932 0.0789 -0.1719 685 GLY A O 4981 N N . GLU A 624 ? 0.6206 0.6938 0.8560 0.1876 0.0541 -0.0826 686 GLU A N 4982 C CA . GLU A 624 ? 0.6336 0.5914 0.7941 0.1787 0.0273 -0.0617 686 GLU A CA 4983 C C . GLU A 624 ? 0.5172 0.5712 0.8425 0.1824 0.0359 -0.1082 686 GLU A C 4984 O O . GLU A 624 ? 0.5709 0.6984 0.8147 0.2359 0.0542 -0.0943 686 GLU A O 4985 C CB . GLU A 624 ? 0.6266 0.5829 0.8527 0.2395 0.0228 -0.0598 686 GLU A CB 4986 C CG . GLU A 624 ? 0.5080 0.5342 0.7368 0.0884 0.1112 -0.0606 686 GLU A CG 4987 C CD . GLU A 624 ? 0.5578 0.5802 0.7999 0.1025 0.0380 -0.0534 686 GLU A CD 4988 O OE1 . GLU A 624 ? 0.4994 0.6152 0.7184 0.1208 0.0869 -0.1432 686 GLU A OE1 4989 O OE2 . GLU A 624 ? 0.5440 0.5780 0.8810 0.1200 0.0535 -0.0756 686 GLU A OE2 4990 N N . LYS A 625 ? 0.5125 0.5281 0.8062 0.1867 0.0324 -0.0793 687 LYS A N 4991 C CA . LYS A 625 ? 0.5739 0.5312 0.7753 0.1553 -0.0132 -0.0500 687 LYS A CA 4992 C C . LYS A 625 ? 0.6009 0.5380 0.7630 0.1488 0.0214 -0.0730 687 LYS A C 4993 O O . LYS A 625 ? 0.6529 0.5077 0.7590 0.0699 0.0005 -0.0845 687 LYS A O 4994 C CB . LYS A 625 ? 0.5916 0.5651 0.9091 0.1810 0.0391 -0.1262 687 LYS A CB 4995 C CG . LYS A 625 ? 0.6563 0.5531 1.0041 0.1973 0.1267 -0.1225 687 LYS A CG 4996 C CD . LYS A 625 ? 0.7945 0.6099 1.0131 0.2092 0.0876 -0.1611 687 LYS A CD 4997 C CE . LYS A 625 ? 0.8245 0.5921 1.1109 0.1946 0.1932 -0.0795 687 LYS A CE 4998 N NZ . LYS A 625 ? 0.8110 0.8377 1.1213 0.1602 0.1017 -0.1064 687 LYS A NZ 4999 N N . GLU A 626 ? 0.5853 0.5607 0.7115 0.1735 -0.0083 -0.0954 688 GLU A N 5000 C CA . GLU A 626 ? 0.5435 0.5645 0.7530 0.1239 -0.0079 -0.1528 688 GLU A CA 5001 C C . GLU A 626 ? 0.5009 0.5679 0.6921 0.0654 0.0218 -0.1417 688 GLU A C 5002 O O . GLU A 626 ? 0.4827 0.5009 0.7477 0.0900 0.0413 -0.1069 688 GLU A O 5003 C CB . GLU A 626 ? 0.5343 0.5609 0.7439 0.1507 -0.0043 -0.1045 688 GLU A CB 5004 C CG . GLU A 626 ? 0.5974 0.6002 0.6840 0.0845 0.0900 -0.1216 688 GLU A CG 5005 C CD . GLU A 626 ? 0.5888 0.6927 0.8246 0.1654 0.0060 -0.2015 688 GLU A CD 5006 O OE1 . GLU A 626 ? 0.5422 0.5800 0.7749 0.0980 0.0270 -0.1587 688 GLU A OE1 5007 O OE2 . GLU A 626 ? 0.6658 0.7033 0.8328 0.1529 0.1218 -0.1356 688 GLU A OE2 5008 N N . TYR A 627 ? 0.4788 0.5642 0.6357 0.0493 0.0025 -0.1333 689 TYR A N 5009 C CA . TYR A 627 ? 0.4368 0.4453 0.6711 0.0796 0.0159 -0.0738 689 TYR A CA 5010 C C . TYR A 627 ? 0.4314 0.5239 0.6446 0.0480 0.0392 -0.0369 689 TYR A C 5011 O O . TYR A 627 ? 0.3754 0.5404 0.7046 0.0509 0.0395 0.0038 689 TYR A O 5012 C CB . TYR A 627 ? 0.4299 0.4620 0.6129 0.0921 0.0065 -0.0215 689 TYR A CB 5013 C CG . TYR A 627 ? 0.4162 0.4830 0.6221 0.0470 0.0192 -0.0409 689 TYR A CG 5014 C CD1 . TYR A 627 ? 0.3941 0.5035 0.6484 0.0511 -0.0195 -0.0453 689 TYR A CD1 5015 C CD2 . TYR A 627 ? 0.4367 0.5013 0.6324 0.0708 0.0357 -0.0390 689 TYR A CD2 5016 C CE1 . TYR A 627 ? 0.5332 0.4784 0.6551 0.0357 -0.0245 -0.0334 689 TYR A CE1 5017 C CE2 . TYR A 627 ? 0.4324 0.4912 0.5781 -0.0060 0.0209 -0.0483 689 TYR A CE2 5018 C CZ . TYR A 627 ? 0.4267 0.4987 0.6583 -0.0233 -0.0443 -0.0702 689 TYR A CZ 5019 O OH . TYR A 627 ? 0.5120 0.5633 0.6928 0.0568 0.0359 -0.0506 689 TYR A OH 5020 N N . MET A 628 ? 0.4017 0.4747 0.6011 0.0297 0.0450 -0.1281 690 MET A N 5021 C CA . MET A 628 ? 0.4493 0.5010 0.6674 0.0058 -0.0046 -0.1019 690 MET A CA 5022 C C . MET A 628 ? 0.4191 0.5293 0.6397 0.0514 0.0665 -0.0783 690 MET A C 5023 O O . MET A 628 ? 0.3918 0.5229 0.6376 0.0656 0.0240 -0.0912 690 MET A O 5024 C CB . MET A 628 ? 0.5176 0.4871 0.5943 0.0102 0.0071 -0.1396 690 MET A CB 5025 C CG . MET A 628 ? 0.4782 0.5303 0.6351 0.0401 0.0218 -0.0616 690 MET A CG 5026 S SD . MET A 628 ? 0.4483 0.5357 0.6165 0.0751 0.0590 -0.0889 690 MET A SD 5027 C CE . MET A 628 ? 0.4152 0.4841 0.5332 0.0521 -0.0212 -0.0694 690 MET A CE 5028 N N . PRO A 629 ? 0.4352 0.5098 0.6726 0.0947 0.0271 -0.1177 691 PRO A N 5029 C CA . PRO A 629 ? 0.4584 0.5488 0.5796 0.0855 0.0423 -0.0730 691 PRO A CA 5030 C C . PRO A 629 ? 0.3727 0.5112 0.6399 0.0962 0.0299 -0.0819 691 PRO A C 5031 O O . PRO A 629 ? 0.4082 0.5702 0.6303 0.0240 0.0327 -0.0104 691 PRO A O 5032 C CB . PRO A 629 ? 0.4577 0.5162 0.6377 0.0623 0.0287 -0.1063 691 PRO A CB 5033 C CG . PRO A 629 ? 0.4085 0.5972 0.6413 0.0390 0.0451 -0.0762 691 PRO A CG 5034 C CD . PRO A 629 ? 0.3769 0.5332 0.6119 0.0698 0.0152 -0.1004 691 PRO A CD 5035 N N . TRP A 630 ? 0.3687 0.5253 0.6343 0.0629 0.0762 -0.0644 692 TRP A N 5036 C CA . TRP A 630 ? 0.3918 0.5141 0.6656 0.1160 0.0262 -0.0364 692 TRP A CA 5037 C C . TRP A 630 ? 0.3804 0.5267 0.5653 0.0434 0.0365 -0.0395 692 TRP A C 5038 O O . TRP A 630 ? 0.4274 0.5126 0.6128 0.0393 0.0184 -0.0625 692 TRP A O 5039 C CB . TRP A 630 ? 0.3569 0.5472 0.6471 0.0995 -0.0184 -0.0395 692 TRP A CB 5040 C CG . TRP A 630 ? 0.4508 0.5224 0.7569 0.1264 0.0208 -0.0238 692 TRP A CG 5041 C CD1 . TRP A 630 ? 0.4187 0.5727 0.7478 0.1323 0.0420 -0.0571 692 TRP A CD1 5042 C CD2 . TRP A 630 ? 0.4306 0.5903 0.7430 0.1258 0.0661 -0.0623 692 TRP A CD2 5043 N NE1 . TRP A 630 ? 0.4354 0.6041 0.7831 0.1775 0.0670 -0.0898 692 TRP A NE1 5044 C CE2 . TRP A 630 ? 0.4652 0.5763 0.8670 0.0990 0.1215 -0.1071 692 TRP A CE2 5045 C CE3 . TRP A 630 ? 0.4231 0.6291 0.7973 0.0832 0.0655 -0.0709 692 TRP A CE3 5046 C CZ2 . TRP A 630 ? 0.5483 0.6136 0.8313 0.1018 0.0350 -0.1065 692 TRP A CZ2 5047 C CZ3 . TRP A 630 ? 0.4547 0.7085 0.7339 0.0569 0.0252 -0.0440 692 TRP A CZ3 5048 C CH2 . TRP A 630 ? 0.5840 0.6434 0.6929 0.0341 0.0542 -0.0416 692 TRP A CH2 5049 N N . GLN A 631 ? 0.3763 0.5536 0.5704 0.0752 0.0267 -0.0190 693 GLN A N 5050 C CA . GLN A 631 ? 0.3707 0.5542 0.5510 0.0139 0.0291 -0.0287 693 GLN A CA 5051 C C . GLN A 631 ? 0.3347 0.5125 0.5848 0.0536 0.0091 -0.0413 693 GLN A C 5052 O O . GLN A 631 ? 0.4053 0.5521 0.5609 0.0565 0.0470 -0.0760 693 GLN A O 5053 C CB . GLN A 631 ? 0.3706 0.5498 0.6412 0.0895 0.0508 -0.0271 693 GLN A CB 5054 C CG . GLN A 631 ? 0.3814 0.4614 0.6043 0.0355 0.0015 -0.0273 693 GLN A CG 5055 C CD . GLN A 631 ? 0.4161 0.5459 0.5859 -0.0395 0.0567 -0.0290 693 GLN A CD 5056 O OE1 . GLN A 631 ? 0.5184 0.5270 0.6031 0.0034 0.0369 0.0348 693 GLN A OE1 5057 N NE2 . GLN A 631 ? 0.4918 0.5397 0.6005 -0.0495 0.0356 -0.0132 693 GLN A NE2 5058 N N . ALA A 632 ? 0.4059 0.5629 0.5849 0.0012 0.0016 -0.0224 694 ALA A N 5059 C CA . ALA A 632 ? 0.3619 0.5376 0.6320 0.0140 0.0323 -0.0337 694 ALA A CA 5060 C C . ALA A 632 ? 0.3794 0.5499 0.5097 0.0296 0.0226 -0.0222 694 ALA A C 5061 O O . ALA A 632 ? 0.3683 0.5710 0.5641 0.0401 0.0594 -0.0515 694 ALA A O 5062 C CB . ALA A 632 ? 0.4005 0.5680 0.6006 -0.0354 -0.0309 -0.0247 694 ALA A CB 5063 N N . ALA A 633 ? 0.3506 0.5480 0.5747 0.0616 0.0460 -0.0276 695 ALA A N 5064 C CA . ALA A 633 ? 0.3421 0.5601 0.6518 0.0691 0.0346 -0.0405 695 ALA A CA 5065 C C . ALA A 633 ? 0.3276 0.5720 0.6466 0.0497 0.0241 -0.0361 695 ALA A C 5066 O O . ALA A 633 ? 0.3127 0.6236 0.5709 0.0259 0.0167 -0.0289 695 ALA A O 5067 C CB . ALA A 633 ? 0.3656 0.5496 0.7043 0.0706 0.0810 -0.1236 695 ALA A CB 5068 N N . LEU A 634 ? 0.3562 0.5795 0.6073 0.0502 0.0126 -0.0130 696 LEU A N 5069 C CA . LEU A 634 ? 0.4591 0.5731 0.6173 0.0076 0.0108 0.0137 696 LEU A CA 5070 C C . LEU A 634 ? 0.3672 0.5980 0.5702 0.0070 0.0355 -0.0212 696 LEU A C 5071 O O . LEU A 634 ? 0.3539 0.6093 0.5545 -0.0081 0.0453 -0.0021 696 LEU A O 5072 C CB . LEU A 634 ? 0.3615 0.5743 0.6456 -0.0209 -0.0015 -0.0424 696 LEU A CB 5073 C CG . LEU A 634 ? 0.3809 0.5991 0.6959 0.0131 -0.0617 0.0400 696 LEU A CG 5074 C CD1 . LEU A 634 ? 0.5100 0.5610 0.6797 -0.0859 -0.0474 -0.0483 696 LEU A CD1 5075 C CD2 . LEU A 634 ? 0.3561 0.5829 0.6969 0.0215 -0.0490 -0.0200 696 LEU A CD2 5076 N N . SER A 635 ? 0.3360 0.5819 0.5925 -0.0169 0.0331 -0.0453 697 SER A N 5077 C CA . SER A 635 ? 0.3469 0.5645 0.6075 -0.0268 -0.0018 -0.0015 697 SER A CA 5078 C C . SER A 635 ? 0.3600 0.5846 0.5654 -0.0579 0.0171 -0.0408 697 SER A C 5079 O O . SER A 635 ? 0.3836 0.5603 0.5900 0.0126 0.0941 -0.0221 697 SER A O 5080 C CB . SER A 635 ? 0.3058 0.5991 0.6528 -0.0350 0.0043 -0.0361 697 SER A CB 5081 O OG . SER A 635 ? 0.4003 0.5681 0.6337 -0.0021 0.0438 -0.0167 697 SER A OG 5082 N N . SER A 636 ? 0.3834 0.5775 0.5681 0.0251 0.0359 -0.0338 698 SER A N 5083 C CA . SER A 636 ? 0.3421 0.5823 0.5846 0.0081 0.0219 -0.0724 698 SER A CA 5084 C C . SER A 636 ? 0.3565 0.6020 0.5821 -0.0023 0.0060 -0.0346 698 SER A C 5085 O O . SER A 636 ? 0.3728 0.5703 0.6547 -0.0014 0.0178 0.0138 698 SER A O 5086 C CB . SER A 636 ? 0.3733 0.6224 0.5982 0.0497 0.0343 -0.0360 698 SER A CB 5087 O OG . SER A 636 ? 0.4131 0.6822 0.5616 -0.0274 0.0612 -0.0861 698 SER A OG 5088 N N . LEU A 637 ? 0.3704 0.5747 0.6484 -0.0454 0.0142 0.0098 699 LEU A N 5089 C CA . LEU A 637 ? 0.3745 0.6382 0.5828 -0.0066 0.0303 0.0489 699 LEU A CA 5090 C C . LEU A 637 ? 0.3787 0.6957 0.6920 0.0149 -0.0287 -0.1150 699 LEU A C 5091 O O . LEU A 637 ? 0.2684 0.7102 0.6377 0.0241 0.0294 0.0314 699 LEU A O 5092 C CB . LEU A 637 ? 0.4235 0.6195 0.6790 -0.0130 0.0203 -0.0656 699 LEU A CB 5093 C CG . LEU A 637 ? 0.3777 0.6411 0.6864 0.0459 0.0067 -0.0253 699 LEU A CG 5094 C CD1 . LEU A 637 ? 0.3403 0.6649 0.7041 0.0486 -0.0143 -0.0120 699 LEU A CD1 5095 C CD2 . LEU A 637 ? 0.4596 0.5769 0.6716 -0.0015 0.0283 -0.0467 699 LEU A CD2 5096 N N . SER A 638 ? 0.3683 0.6215 0.6164 -0.0457 0.0085 0.0686 700 SER A N 5097 C CA . SER A 638 ? 0.3988 0.6424 0.6638 0.0072 0.0315 -0.0041 700 SER A CA 5098 C C . SER A 638 ? 0.3122 0.6382 0.6059 0.0220 0.0160 -0.0119 700 SER A C 5099 O O . SER A 638 ? 0.3909 0.6574 0.6394 -0.0024 -0.0237 -0.0287 700 SER A O 5100 C CB . SER A 638 ? 0.3557 0.7030 0.6295 -0.0277 -0.0461 0.1184 700 SER A CB 5101 O OG . SER A 638 ? 0.3350 0.6650 0.7812 0.0795 -0.0433 -0.0004 700 SER A OG 5102 N N . TYR A 639 ? 0.3885 0.6326 0.5483 -0.0274 -0.0001 -0.0689 701 TYR A N 5103 C CA . TYR A 639 ? 0.4218 0.6034 0.6098 -0.0056 0.0311 -0.0166 701 TYR A CA 5104 C C . TYR A 639 ? 0.4394 0.6618 0.5851 0.0069 -0.0520 -0.0035 701 TYR A C 5105 O O . TYR A 639 ? 0.3648 0.6582 0.7081 -0.0203 -0.0165 -0.0331 701 TYR A O 5106 C CB . TYR A 639 ? 0.4495 0.6775 0.6176 -0.0072 -0.0550 -0.0354 701 TYR A CB 5107 C CG . TYR A 639 ? 0.5093 0.6924 0.6560 -0.0409 0.0179 -0.0288 701 TYR A CG 5108 C CD1 . TYR A 639 ? 0.4159 0.6154 0.6226 -0.0546 -0.0506 -0.0089 701 TYR A CD1 5109 C CD2 . TYR A 639 ? 0.4758 0.6730 0.5722 -0.1070 -0.0507 -0.0102 701 TYR A CD2 5110 C CE1 . TYR A 639 ? 0.5149 0.6040 0.6174 -0.0611 -0.0363 -0.0480 701 TYR A CE1 5111 C CE2 . TYR A 639 ? 0.4835 0.7008 0.4675 -0.0999 -0.0974 -0.0057 701 TYR A CE2 5112 C CZ . TYR A 639 ? 0.3786 0.6602 0.6335 -0.0127 -0.0930 0.0128 701 TYR A CZ 5113 O OH . TYR A 639 ? 0.5043 0.6866 0.6613 -0.1162 -0.0395 0.0350 701 TYR A OH 5114 N N . PHE A 640 ? 0.3803 0.6393 0.6586 -0.0248 0.0014 0.0108 702 PHE A N 5115 C CA . PHE A 640 ? 0.3948 0.7162 0.6839 0.0215 -0.0589 0.0250 702 PHE A CA 5116 C C . PHE A 640 ? 0.3800 0.5947 0.6844 -0.0171 -0.0287 -0.0028 702 PHE A C 5117 O O . PHE A 640 ? 0.4245 0.6529 0.7149 -0.0216 -0.0525 -0.0294 702 PHE A O 5118 C CB . PHE A 640 ? 0.3503 0.7024 0.7083 0.0296 0.0131 0.0441 702 PHE A CB 5119 C CG . PHE A 640 ? 0.4295 0.8220 0.6831 0.0709 0.0187 -0.0162 702 PHE A CG 5120 C CD1 . PHE A 640 ? 0.3877 0.7567 0.6640 -0.0769 -0.0260 -0.0042 702 PHE A CD1 5121 C CD2 . PHE A 640 ? 0.3404 0.9044 0.7601 -0.0736 -0.0322 0.0307 702 PHE A CD2 5122 C CE1 . PHE A 640 ? 0.4151 0.7123 0.6576 -0.0760 -0.0430 -0.0224 702 PHE A CE1 5123 C CE2 . PHE A 640 ? 0.4343 0.7990 0.7445 -0.0540 0.0047 -0.0002 702 PHE A CE2 5124 C CZ . PHE A 640 ? 0.4466 0.7768 0.7110 -0.0938 -0.0020 0.0466 702 PHE A CZ 5125 N N . SER A 641 ? 0.3952 0.5898 0.6498 0.0367 0.0476 -0.0005 703 SER A N 5126 C CA . SER A 641 ? 0.3496 0.7270 0.6414 -0.0302 -0.0662 -0.0031 703 SER A CA 5127 C C . SER A 641 ? 0.4084 0.6062 0.6098 -0.0422 -0.0969 0.0786 703 SER A C 5128 O O . SER A 641 ? 0.3760 0.6745 0.5922 -0.0069 -0.0590 0.0290 703 SER A O 5129 C CB . SER A 641 ? 0.4671 0.7067 0.6247 -0.0672 -0.1090 0.0793 703 SER A CB 5130 O OG . SER A 641 ? 0.6673 0.7118 0.7468 -0.0280 -0.1155 0.1765 703 SER A OG 5131 N N . LEU A 642 ? 0.3248 0.7290 0.6412 0.0070 -0.0233 -0.0415 704 LEU A N 5132 C CA . LEU A 642 ? 0.3951 0.6769 0.5751 -0.0072 -0.0577 0.0246 704 LEU A CA 5133 C C . LEU A 642 ? 0.3585 0.7150 0.6568 0.0186 -0.1245 0.0190 704 LEU A C 5134 O O . LEU A 642 ? 0.4482 0.7591 0.6522 0.0363 -0.1421 0.0341 704 LEU A O 5135 C CB . LEU A 642 ? 0.5470 0.7147 0.5694 0.0603 -0.1275 0.0310 704 LEU A CB 5136 C CG . LEU A 642 ? 0.5578 0.8785 0.6580 0.0784 -0.0407 0.0896 704 LEU A CG 5137 C CD1 . LEU A 642 ? 0.6452 0.8272 0.7896 0.0615 0.0074 0.1627 704 LEU A CD1 5138 C CD2 . LEU A 642 ? 0.5722 0.9163 0.6692 0.0845 -0.0624 0.0776 704 LEU A CD2 5139 N N . MET A 643 ? 0.4074 0.6231 0.6393 0.0210 -0.1302 0.0142 705 MET A N 5140 C CA . MET A 643 ? 0.4779 0.6380 0.6969 -0.0153 -0.0953 0.0233 705 MET A CA 5141 C C . MET A 643 ? 0.4353 0.7262 0.6926 -0.0697 -0.1904 -0.0099 705 MET A C 5142 O O . MET A 643 ? 0.2818 0.7139 0.7573 -0.0922 -0.1602 0.1013 705 MET A O 5143 C CB . MET A 643 ? 0.5640 0.7610 0.6331 -0.0143 -0.1221 -0.0391 705 MET A CB 5144 C CG . MET A 643 ? 0.4572 0.6822 0.6220 -0.0699 -0.0187 -0.0117 705 MET A CG 5145 S SD . MET A 643 ? 0.5026 0.7079 0.7196 -0.1044 -0.0578 -0.0074 705 MET A SD 5146 C CE . MET A 643 ? 0.4691 0.6658 0.6610 -0.0362 -0.0398 -0.1080 705 MET A CE 5147 N N . PHE A 644 ? 0.3641 0.7291 0.6672 -0.1188 -0.1760 0.0380 706 PHE A N 5148 C CA . PHE A 644 ? 0.3839 0.7494 0.7395 -0.0396 -0.0712 0.0253 706 PHE A CA 5149 C C . PHE A 644 ? 0.3452 0.7321 0.6814 -0.0581 -0.1162 -0.0117 706 PHE A C 5150 O O . PHE A 644 ? 0.3916 0.8143 0.6398 0.0310 -0.0737 -0.0248 706 PHE A O 5151 C CB . PHE A 644 ? 0.3949 0.7439 0.7436 -0.0504 -0.1217 0.0142 706 PHE A CB 5152 C CG . PHE A 644 ? 0.3687 0.8288 0.7128 -0.0228 -0.0923 0.0288 706 PHE A CG 5153 C CD1 . PHE A 644 ? 0.4207 0.7929 0.6808 -0.0085 -0.0613 -0.0344 706 PHE A CD1 5154 C CD2 . PHE A 644 ? 0.4210 0.7127 0.7207 -0.0084 -0.0696 -0.0301 706 PHE A CD2 5155 C CE1 . PHE A 644 ? 0.4467 0.9296 0.7569 -0.0227 -0.0497 0.0375 706 PHE A CE1 5156 C CE2 . PHE A 644 ? 0.3260 0.8323 0.7547 -0.0051 -0.0849 0.0350 706 PHE A CE2 5157 C CZ . PHE A 644 ? 0.4435 0.7381 0.8286 0.0168 -0.1099 0.0411 706 PHE A CZ 5158 N N . ASP A 645 ? 0.3758 0.7539 0.7264 -0.0299 -0.0853 0.0184 707 ASP A N 5159 C CA . ASP A 645 ? 0.4313 0.7497 0.6955 0.0278 -0.0613 0.0159 707 ASP A CA 5160 C C . ASP A 645 ? 0.3846 0.7732 0.7501 0.0007 -0.0756 0.0769 707 ASP A C 5161 O O . ASP A 645 ? 0.4936 0.6684 0.6847 0.0173 0.0198 0.0039 707 ASP A O 5162 C CB . ASP A 645 ? 0.4468 0.7503 0.6694 0.0246 -0.1082 0.0672 707 ASP A CB 5163 C CG . ASP A 645 ? 0.4609 0.7277 0.6527 -0.0477 -0.0534 0.0102 707 ASP A CG 5164 O OD1 . ASP A 645 ? 0.5095 0.6977 0.5784 -0.0484 -0.0865 -0.0243 707 ASP A OD1 5165 O OD2 . ASP A 645 ? 0.4379 0.7411 0.5102 0.0107 -0.0375 -0.0382 707 ASP A OD2 5166 N N . ARG A 646 ? 0.4467 0.7428 0.8028 0.0526 -0.1416 0.0144 708 ARG A N 5167 C CA . ARG A 646 ? 0.4634 0.7655 0.7695 0.0104 -0.1438 0.0701 708 ARG A CA 5168 C C . ARG A 646 ? 0.4274 0.8807 0.7607 -0.0474 -0.1715 0.0745 708 ARG A C 5169 O O . ARG A 646 ? 0.3483 0.8886 0.8928 0.0078 -0.1885 0.0285 708 ARG A O 5170 C CB . ARG A 646 ? 0.4714 0.8650 0.7152 0.0259 -0.1598 0.0093 708 ARG A CB 5171 C CG . ARG A 646 ? 0.5552 0.7731 0.7220 -0.0493 -0.1246 0.0454 708 ARG A CG 5172 C CD . ARG A 646 ? 0.5860 0.7470 0.7220 -0.0195 -0.1746 0.0464 708 ARG A CD 5173 N NE . ARG A 646 ? 0.5249 0.8095 0.6495 0.0262 -0.0883 0.0450 708 ARG A NE 5174 C CZ . ARG A 646 ? 0.4964 0.8014 0.6426 -0.0554 -0.1475 0.0456 708 ARG A CZ 5175 N NH1 . ARG A 646 ? 0.4945 0.6928 0.7312 -0.0317 -0.1190 -0.0321 708 ARG A NH1 5176 N NH2 . ARG A 646 ? 0.5121 0.7671 0.7464 -0.0048 -0.1009 0.0991 708 ARG A NH2 5177 N N . SER A 647 ? 0.3240 0.8268 0.7547 -0.0057 -0.1828 0.0949 709 SER A N 5178 C CA . SER A 647 ? 0.3917 0.8170 0.6940 -0.0451 -0.1396 0.0304 709 SER A CA 5179 C C . SER A 647 ? 0.4538 0.9015 0.7343 0.0249 -0.1094 0.0595 709 SER A C 5180 O O . SER A 647 ? 0.4469 0.9121 0.7836 0.0173 -0.0726 0.0933 709 SER A O 5181 C CB . SER A 647 ? 0.4455 0.7419 0.7251 -0.0436 -0.1149 0.0825 709 SER A CB 5182 O OG . SER A 647 ? 0.4097 0.7955 0.7354 -0.0635 -0.0780 0.0685 709 SER A OG 5183 N N . GLU A 648 ? 0.4016 0.9376 0.8380 -0.0022 -0.1708 0.0348 710 GLU A N 5184 C CA . GLU A 648 ? 0.4126 0.9996 0.9018 -0.0030 -0.0589 0.0268 710 GLU A CA 5185 C C . GLU A 648 ? 0.4319 0.9962 0.7623 0.0619 -0.0331 0.1029 710 GLU A C 5186 O O . GLU A 648 ? 0.5095 1.0893 0.8421 0.0701 -0.1153 -0.0288 710 GLU A O 5187 C CB . GLU A 648 ? 0.3955 1.0142 0.8878 -0.0013 -0.0962 0.1101 710 GLU A CB 5188 C CG . GLU A 648 ? 0.4043 1.1335 0.8722 -0.0809 -0.1476 0.1535 710 GLU A CG 5189 C CD . GLU A 648 ? 0.4518 1.1763 0.9335 -0.0030 -0.0339 0.1176 710 GLU A CD 5190 O OE1 . GLU A 648 ? 0.5419 1.2674 0.9934 0.0840 -0.2175 -0.0441 710 GLU A OE1 5191 O OE2 . GLU A 648 ? 0.4950 1.1841 1.1279 -0.2288 0.1627 0.0916 710 GLU A OE2 5192 N N . VAL A 649 ? 0.3542 0.9477 0.7282 0.0379 0.0083 0.0447 711 VAL A N 5193 C CA . VAL A 649 ? 0.2975 0.9011 0.8674 0.0045 -0.0413 0.0001 711 VAL A CA 5194 C C . VAL A 649 ? 0.3072 0.9398 0.8337 0.0130 0.0304 0.0285 711 VAL A C 5195 O O . VAL A 649 ? 0.4062 0.8386 0.7063 0.1172 0.0464 0.0488 711 VAL A O 5196 C CB . VAL A 649 ? 0.3599 0.9226 0.8014 0.0313 -0.0232 -0.0164 711 VAL A CB 5197 C CG1 . VAL A 649 ? 0.5077 0.9557 0.6844 -0.0372 0.0427 -0.0158 711 VAL A CG1 5198 C CG2 . VAL A 649 ? 0.5888 0.8978 0.9323 -0.0260 0.0183 0.0179 711 VAL A CG2 5199 N N . TYR A 650 ? 0.4180 0.8108 0.8038 0.1249 0.0167 -0.0190 712 TYR A N 5200 C CA . TYR A 650 ? 0.4409 0.8188 0.8208 0.1030 -0.0522 0.0272 712 TYR A CA 5201 C C . TYR A 650 ? 0.4516 0.8609 0.7382 0.1112 -0.1083 0.0369 712 TYR A C 5202 O O . TYR A 650 ? 0.3801 0.9074 0.7504 0.1006 -0.0503 -0.0065 712 TYR A O 5203 C CB . TYR A 650 ? 0.4728 0.7988 0.7578 0.0327 -0.0409 0.1020 712 TYR A CB 5204 C CG . TYR A 650 ? 0.4290 0.7451 0.8225 0.0901 -0.0262 0.0434 712 TYR A CG 5205 C CD1 . TYR A 650 ? 0.5017 0.7824 0.7684 -0.0575 -0.0393 -0.0265 712 TYR A CD1 5206 C CD2 . TYR A 650 ? 0.4788 0.7743 0.8162 0.0523 -0.0713 0.0494 712 TYR A CD2 5207 C CE1 . TYR A 650 ? 0.5640 0.7837 0.8303 -0.1120 0.0031 -0.0521 712 TYR A CE1 5208 C CE2 . TYR A 650 ? 0.4925 0.8662 0.7726 0.0312 -0.0372 -0.0388 712 TYR A CE2 5209 C CZ . TYR A 650 ? 0.4682 0.7459 0.7964 0.0929 -0.0271 -0.0602 712 TYR A CZ 5210 O OH . TYR A 650 ? 0.6131 0.7379 0.9997 0.0366 0.2078 -0.1143 712 TYR A OH 5211 N N . GLY A 651 ? 0.4015 0.9205 0.8040 0.1255 -0.0687 0.0110 713 GLY A N 5212 C CA . GLY A 651 ? 0.5221 0.9124 0.7779 0.1355 -0.0504 0.0674 713 GLY A CA 5213 C C . GLY A 651 ? 0.4527 0.8623 0.8730 0.1642 0.0299 -0.0111 713 GLY A C 5214 O O . GLY A 651 ? 0.4986 0.8137 0.7810 0.1325 -0.0024 0.0880 713 GLY A O 5215 N N . PRO A 652 ? 0.4511 0.9920 0.9266 0.1369 0.0060 0.0600 714 PRO A N 5216 C CA . PRO A 652 ? 0.4655 0.9540 0.8694 0.0977 -0.1097 0.1472 714 PRO A CA 5217 C C . PRO A 652 ? 0.3469 0.9072 0.8712 0.0840 0.0395 0.0341 714 PRO A C 5218 O O . PRO A 652 ? 0.4594 0.8888 0.8844 0.1076 -0.0886 0.0632 714 PRO A O 5219 C CB . PRO A 652 ? 0.3230 1.0818 0.8241 0.1190 -0.0113 0.0856 714 PRO A CB 5220 C CG . PRO A 652 ? 0.5605 0.9289 0.8812 -0.0737 0.0125 0.0370 714 PRO A CG 5221 C CD . PRO A 652 ? 0.5659 0.8915 0.8808 0.1309 -0.0209 0.0116 714 PRO A CD 5222 N N . MET A 653 ? 0.3956 0.8765 0.6878 0.0974 0.0496 0.0868 715 MET A N 5223 C CA . MET A 653 ? 0.4255 0.8616 0.7335 0.0345 -0.0011 -0.0015 715 MET A CA 5224 C C . MET A 653 ? 0.4662 0.7734 0.8322 0.0833 -0.0452 0.0786 715 MET A C 5225 O O . MET A 653 ? 0.4428 0.6205 0.8420 0.1554 0.0251 0.0400 715 MET A O 5226 C CB . MET A 653 ? 0.4045 0.8163 0.7568 0.0529 -0.0212 0.0109 715 MET A CB 5227 C CG . MET A 653 ? 0.3932 0.7699 0.7337 0.0506 0.0243 -0.0055 715 MET A CG 5228 S SD . MET A 653 ? 0.4389 0.7585 0.7671 0.0598 -0.0246 0.0119 715 MET A SD 5229 C CE . MET A 653 ? 0.3924 0.6093 0.7236 0.0991 0.0663 -0.1229 715 MET A CE 5230 N N . LYS A 654 ? 0.4267 0.7449 0.7707 0.1097 0.0481 -0.0305 716 LYS A N 5231 C CA . LYS A 654 ? 0.5056 0.7574 0.7950 0.1417 0.0492 -0.0107 716 LYS A CA 5232 C C . LYS A 654 ? 0.4774 0.7975 0.8299 0.1478 0.0064 -0.0379 716 LYS A C 5233 O O . LYS A 654 ? 0.4258 0.8095 0.8635 0.1578 -0.0073 -0.0011 716 LYS A O 5234 C CB . LYS A 654 ? 0.5492 0.7144 0.8619 0.0647 -0.0736 -0.0089 716 LYS A CB 5235 C CG . LYS A 654 ? 0.5062 0.7518 0.9174 -0.0595 -0.0438 -0.0804 716 LYS A CG 5236 C CD . LYS A 654 ? 0.7374 0.7165 0.7992 -0.0595 -0.0027 0.0426 716 LYS A CD 5237 C CE . LYS A 654 ? 0.6609 0.7919 0.7713 0.0764 -0.0376 0.1309 716 LYS A CE 5238 N NZ . LYS A 654 ? 0.4194 0.9229 1.0242 -0.0335 -0.0823 0.0041 716 LYS A NZ 5239 N N . LYS A 655 ? 0.4147 0.8008 0.7053 0.1388 -0.1090 0.0832 717 LYS A N 5240 C CA . LYS A 655 ? 0.4225 0.8683 0.8680 0.1049 0.0392 0.0424 717 LYS A CA 5241 C C . LYS A 655 ? 0.3879 0.7775 0.9030 0.2017 0.0384 -0.0149 717 LYS A C 5242 O O . LYS A 655 ? 0.4812 0.7386 0.8664 0.2245 -0.0363 0.0332 717 LYS A O 5243 C CB . LYS A 655 ? 0.3940 0.9290 0.9745 0.2788 -0.0259 -0.0362 717 LYS A CB 5244 C CG . LYS A 655 ? 0.4460 0.8850 1.0313 0.2408 -0.0814 -0.0166 717 LYS A CG 5245 C CD . LYS A 655 ? 0.4290 1.0731 1.1451 0.3501 -0.1043 0.0682 717 LYS A CD 5246 C CE . LYS A 655 ? 0.4648 1.0053 1.1051 0.1961 -0.1419 -0.0518 717 LYS A CE 5247 N NZ . LYS A 655 ? 0.5778 0.9661 1.2629 0.2999 0.0771 0.0343 717 LYS A NZ 5248 N N . TYR A 656 ? 0.3893 0.8816 0.8897 0.1409 -0.0707 0.0504 718 TYR A N 5249 C CA . TYR A 656 ? 0.3753 0.8185 0.8632 0.1843 -0.0470 0.0053 718 TYR A CA 5250 C C . TYR A 656 ? 0.4507 0.8224 0.8950 0.0998 0.0200 -0.0194 718 TYR A C 5251 O O . TYR A 656 ? 0.4321 0.7903 0.8071 0.1877 0.0636 -0.0548 718 TYR A O 5252 C CB . TYR A 656 ? 0.5005 0.8216 0.8452 0.0644 -0.0006 -0.0129 718 TYR A CB 5253 C CG . TYR A 656 ? 0.5008 0.8784 0.8612 0.1034 0.0199 -0.0624 718 TYR A CG 5254 C CD1 . TYR A 656 ? 0.4995 0.8162 0.9191 0.1169 -0.0067 -0.0675 718 TYR A CD1 5255 C CD2 . TYR A 656 ? 0.5012 0.9451 0.7744 0.1329 0.0585 -0.1188 718 TYR A CD2 5256 C CE1 . TYR A 656 ? 0.5221 0.8033 0.8882 0.1098 -0.0124 -0.0486 718 TYR A CE1 5257 C CE2 . TYR A 656 ? 0.4265 0.8377 0.7981 0.1549 0.0648 -0.0325 718 TYR A CE2 5258 C CZ . TYR A 656 ? 0.5155 0.8902 0.8276 0.1514 0.0724 -0.0777 718 TYR A CZ 5259 O OH . TYR A 656 ? 0.4118 0.8139 0.8077 0.1659 0.1144 -0.0576 718 TYR A OH 5260 N N . LEU A 657 ? 0.4262 0.7324 0.7888 0.1212 -0.0357 0.0265 719 LEU A N 5261 C CA . LEU A 657 ? 0.4511 0.7181 0.8154 0.1383 0.0460 0.0134 719 LEU A CA 5262 C C . LEU A 657 ? 0.4679 0.7414 0.8011 0.1207 0.0067 0.0200 719 LEU A C 5263 O O . LEU A 657 ? 0.4314 0.7596 0.8564 0.1083 0.0858 -0.0077 719 LEU A O 5264 C CB . LEU A 657 ? 0.3730 0.7151 0.7811 0.1294 -0.0033 0.0070 719 LEU A CB 5265 C CG . LEU A 657 ? 0.4313 0.7542 0.7502 0.0860 -0.0362 0.0364 719 LEU A CG 5266 C CD1 . LEU A 657 ? 0.4327 0.7992 0.7741 0.0900 0.0068 0.0758 719 LEU A CD1 5267 C CD2 . LEU A 657 ? 0.4766 0.6730 0.7557 0.0710 -0.0469 -0.0103 719 LEU A CD2 5268 N N . ARG A 658 ? 0.4120 0.7091 0.8962 0.1375 -0.0209 0.0113 720 ARG A N 5269 C CA . ARG A 658 ? 0.3814 0.7580 0.8908 0.1450 0.0052 0.0683 720 ARG A CA 5270 C C . ARG A 658 ? 0.4687 0.8488 0.9178 0.1624 -0.0413 0.0115 720 ARG A C 5271 O O . ARG A 658 ? 0.5047 0.7785 0.7992 0.1750 0.0525 0.0882 720 ARG A O 5272 C CB . ARG A 658 ? 0.5377 0.7937 0.7839 0.0925 -0.0477 0.1107 720 ARG A CB 5273 C CG . ARG A 658 ? 0.4787 0.8518 0.9112 0.1295 -0.0654 -0.0279 720 ARG A CG 5274 C CD . ARG A 658 ? 0.5862 0.8904 0.8888 0.1718 -0.0798 -0.0337 720 ARG A CD 5275 N NE . ARG A 658 ? 0.5624 0.9190 0.9479 0.2145 -0.0958 -0.0341 720 ARG A NE 5276 C CZ . ARG A 658 ? 0.4810 0.9246 1.1561 0.1204 -0.0856 0.0050 720 ARG A CZ 5277 N NH1 . ARG A 658 ? 0.5022 0.8986 1.0927 0.0789 -0.0480 0.0070 720 ARG A NH1 5278 N NH2 . ARG A 658 ? 0.4688 0.8356 1.1786 0.2348 -0.0260 0.0107 720 ARG A NH2 5279 N N . LYS A 659 ? 0.5547 0.9430 0.8573 0.1177 -0.0399 -0.0050 721 LYS A N 5280 C CA . LYS A 659 ? 0.5472 0.8769 0.8701 0.1504 -0.0282 -0.0029 721 LYS A CA 5281 C C . LYS A 659 ? 0.5360 0.7657 0.8627 0.1978 -0.0235 -0.0330 721 LYS A C 5282 O O . LYS A 659 ? 0.5355 0.7217 0.9752 0.2961 0.0628 -0.0970 721 LYS A O 5283 C CB . LYS A 659 ? 0.4925 0.9079 0.9175 0.1622 0.0010 -0.0269 721 LYS A CB 5284 C CG . LYS A 659 ? 0.5575 0.7841 0.9975 0.1623 0.0035 -0.0550 721 LYS A CG 5285 C CD . LYS A 659 ? 0.5983 0.9073 0.9910 0.1892 0.1104 -0.0212 721 LYS A CD 5286 C CE . LYS A 659 ? 0.6193 1.0442 0.9583 0.1663 0.1096 -0.0837 721 LYS A CE 5287 N NZ . LYS A 659 ? 0.8399 1.0664 1.0138 0.0387 0.1518 -0.0148 721 LYS A NZ 5288 N N . GLN A 660 ? 0.4281 0.7615 0.8137 0.1966 0.0204 -0.1131 722 GLN A N 5289 C CA . GLN A 660 ? 0.5113 0.7507 0.8484 0.1250 -0.0602 -0.0171 722 GLN A CA 5290 C C . GLN A 660 ? 0.5120 0.8274 0.8076 0.1557 -0.0173 0.0093 722 GLN A C 5291 O O . GLN A 660 ? 0.5440 0.6064 0.9699 0.0989 0.0323 -0.0119 722 GLN A O 5292 C CB . GLN A 660 ? 0.4396 0.7220 0.8929 0.1432 -0.0257 -0.0587 722 GLN A CB 5293 C CG . GLN A 660 ? 0.4922 0.7860 0.8786 0.2285 0.0717 -0.0767 722 GLN A CG 5294 C CD . GLN A 660 ? 0.5522 0.6530 0.8833 0.2440 0.0952 -0.0419 722 GLN A CD 5295 O OE1 . GLN A 660 ? 0.6020 0.8110 0.8790 0.3881 0.1163 -0.0199 722 GLN A OE1 5296 N NE2 . GLN A 660 ? 0.5363 0.7190 0.8419 0.1469 0.1049 -0.0082 722 GLN A NE2 5297 N N . VAL A 661 ? 0.4944 0.5932 0.7955 0.1353 0.0019 -0.0343 723 VAL A N 5298 C CA . VAL A 661 ? 0.4001 0.6830 0.8109 0.2294 -0.0072 0.0119 723 VAL A CA 5299 C C . VAL A 661 ? 0.5171 0.6648 0.8178 0.1867 -0.0022 -0.0425 723 VAL A C 5300 O O . VAL A 661 ? 0.4447 0.6411 0.8568 0.2309 -0.0304 -0.0568 723 VAL A O 5301 C CB . VAL A 661 ? 0.5175 0.6198 0.8582 0.1335 0.0154 -0.0269 723 VAL A CB 5302 C CG1 . VAL A 661 ? 0.4917 0.6314 0.8218 -0.0388 0.0273 0.0437 723 VAL A CG1 5303 C CG2 . VAL A 661 ? 0.5204 0.6692 0.7802 0.0182 -0.1789 -0.1003 723 VAL A CG2 5304 N N . GLU A 662 ? 0.5130 0.6975 0.8631 0.2150 -0.0072 -0.0639 724 GLU A N 5305 C CA . GLU A 662 ? 0.5725 0.7301 0.9266 0.1458 -0.0737 0.0050 724 GLU A CA 5306 C C . GLU A 662 ? 0.4476 0.7347 0.9709 0.1885 0.0169 -0.0405 724 GLU A C 5307 O O . GLU A 662 ? 0.5529 0.6691 0.9106 0.2024 -0.0577 0.0151 724 GLU A O 5308 C CB . GLU A 662 ? 0.6358 0.6743 0.8995 0.3060 -0.0306 -0.0465 724 GLU A CB 5309 C CG . GLU A 662 ? 0.6540 0.7045 0.9190 0.2503 0.0028 0.0195 724 GLU A CG 5310 C CD . GLU A 662 ? 0.6874 0.9930 1.0659 0.2244 -0.0340 0.1919 724 GLU A CD 5311 O OE1 . GLU A 662 ? 0.8569 0.6883 1.0354 0.2435 -0.1005 0.0457 724 GLU A OE1 5312 O OE2 . GLU A 662 ? 0.6909 1.1952 1.0624 0.3956 0.1065 0.1370 724 GLU A OE2 5313 N N . PRO A 663 ? 0.4951 0.6509 0.9349 0.2306 -0.0604 0.0473 725 PRO A N 5314 C CA . PRO A 663 ? 0.6724 0.6913 0.9712 0.1486 -0.0288 0.0199 725 PRO A CA 5315 C C . PRO A 663 ? 0.6891 0.6080 0.9782 0.2672 -0.0406 -0.0269 725 PRO A C 5316 O O . PRO A 663 ? 0.6122 0.6489 0.9128 0.2277 -0.0576 -0.0744 725 PRO A O 5317 C CB . PRO A 663 ? 0.7070 0.6841 0.9447 0.1824 -0.0131 -0.0587 725 PRO A CB 5318 C CG . PRO A 663 ? 0.6170 0.7080 1.0192 0.2421 -0.0032 -0.0552 725 PRO A CG 5319 C CD . PRO A 663 ? 0.6443 0.7076 0.9341 0.1857 0.0243 0.0154 725 PRO A CD 5320 N N . LEU A 664 ? 0.6377 0.6580 0.8418 0.2709 0.1375 -0.0899 726 LEU A N 5321 C CA . LEU A 664 ? 0.5996 0.6351 0.9046 0.1663 -0.0036 0.0253 726 LEU A CA 5322 C C . LEU A 664 ? 0.5568 0.5624 0.9425 0.1500 0.0207 0.0518 726 LEU A C 5323 O O . LEU A 664 ? 0.5978 0.4574 0.8885 0.1436 0.0160 -0.0503 726 LEU A O 5324 C CB . LEU A 664 ? 0.6230 0.6372 0.8236 0.1978 -0.0393 -0.0441 726 LEU A CB 5325 C CG . LEU A 664 ? 0.6088 0.5722 0.8219 0.1688 0.0232 -0.1347 726 LEU A CG 5326 C CD1 . LEU A 664 ? 0.6085 0.5364 0.8977 -0.0208 -0.0475 -0.0078 726 LEU A CD1 5327 C CD2 . LEU A 664 ? 0.6219 0.6398 0.9289 0.1408 -0.0646 -0.0063 726 LEU A CD2 5328 N N . PHE A 665 ? 0.6371 0.5505 0.8865 0.1253 0.0350 0.0044 727 PHE A N 5329 C CA . PHE A 665 ? 0.5402 0.5454 0.8692 0.1873 0.0566 0.0122 727 PHE A CA 5330 C C . PHE A 665 ? 0.6257 0.5719 0.9865 0.2018 0.0760 0.0523 727 PHE A C 5331 O O . PHE A 665 ? 0.6443 0.5403 1.0376 0.1956 0.0418 0.1200 727 PHE A O 5332 C CB . PHE A 665 ? 0.5790 0.5557 0.8378 0.1589 0.0494 -0.0180 727 PHE A CB 5333 C CG . PHE A 665 ? 0.6033 0.6111 0.8956 0.2026 -0.0500 0.0443 727 PHE A CG 5334 C CD1 . PHE A 665 ? 0.5474 0.6637 0.8752 0.1929 -0.0926 0.0455 727 PHE A CD1 5335 C CD2 . PHE A 665 ? 0.5200 0.6368 0.9691 0.2134 -0.0791 0.0423 727 PHE A CD2 5336 C CE1 . PHE A 665 ? 0.6030 0.5911 0.8435 0.1136 -0.0373 0.0113 727 PHE A CE1 5337 C CE2 . PHE A 665 ? 0.6543 0.6011 1.0159 0.2181 0.0093 0.0377 727 PHE A CE2 5338 C CZ . PHE A 665 ? 0.5324 0.6897 0.8807 0.1931 -0.0485 0.0357 727 PHE A CZ 5339 N N . GLN A 666 ? 0.7041 0.5825 0.9692 0.2102 0.0421 -0.1270 728 GLN A N 5340 C CA . GLN A 666 ? 0.7035 0.5838 1.1560 0.1612 -0.0250 -0.0325 728 GLN A CA 5341 C C . GLN A 666 ? 0.7600 0.6525 1.0397 0.1683 -0.0433 -0.0489 728 GLN A C 5342 O O . GLN A 666 ? 0.5658 0.6040 1.0726 0.3004 0.0393 -0.0289 728 GLN A O 5343 C CB . GLN A 666 ? 0.8504 0.6191 1.1310 0.2697 0.0340 -0.0234 728 GLN A CB 5344 C CG . GLN A 666 ? 0.9893 0.7715 1.1762 0.1755 -0.0509 0.0736 728 GLN A CG 5345 C CD . GLN A 666 ? 1.4937 0.7545 1.1487 0.2359 -0.1046 0.0263 728 GLN A CD 5346 O OE1 . GLN A 666 ? 1.5429 0.7474 1.5708 0.5667 0.0476 -0.0142 728 GLN A OE1 5347 N NE2 . GLN A 666 ? 1.1444 1.0633 1.2262 0.3621 -0.1898 -0.1295 728 GLN A NE2 5348 N N . HIS A 667 ? 0.6337 0.7344 1.0202 0.2245 0.0250 -0.0117 729 HIS A N 5349 C CA . HIS A 667 ? 0.7435 0.7179 0.9695 0.1545 0.0230 -0.0049 729 HIS A CA 5350 C C . HIS A 667 ? 0.6627 0.6738 1.1085 0.1331 -0.0004 -0.1009 729 HIS A C 5351 O O . HIS A 667 ? 0.7171 0.6261 1.1108 0.1591 -0.0073 -0.0807 729 HIS A O 5352 C CB . HIS A 667 ? 0.8557 0.6710 1.0369 0.1520 -0.0116 -0.0204 729 HIS A CB 5353 C CG . HIS A 667 ? 0.8231 0.6425 1.1374 0.1663 -0.0058 -0.1683 729 HIS A CG 5354 N ND1 . HIS A 667 ? 0.7841 0.6801 1.0451 0.2130 -0.1569 -0.1152 729 HIS A ND1 5355 C CD2 . HIS A 667 ? 0.6683 0.7067 0.9683 0.0959 -0.0780 -0.0072 729 HIS A CD2 5356 C CE1 . HIS A 667 ? 0.7181 0.7335 1.0227 0.2355 -0.0556 -0.1605 729 HIS A CE1 5357 N NE2 . HIS A 667 ? 0.8128 0.5279 0.9192 0.0297 -0.0009 -0.1126 729 HIS A NE2 5358 N N . PHE A 668 ? 0.6164 0.5146 0.9961 0.0585 -0.0552 -0.0163 730 PHE A N 5359 C CA . PHE A 668 ? 0.7484 0.5330 0.8100 0.1264 -0.0535 -0.0365 730 PHE A CA 5360 C C . PHE A 668 ? 0.7347 0.4918 0.9461 0.1295 -0.1003 0.0330 730 PHE A C 5361 O O . PHE A 668 ? 0.6491 0.4901 0.9447 0.1242 -0.1203 0.0001 730 PHE A O 5362 C CB . PHE A 668 ? 0.5140 0.5087 0.8689 0.1155 -0.0559 -0.0201 730 PHE A CB 5363 C CG . PHE A 668 ? 0.7184 0.4593 0.8000 0.0771 -0.0423 -0.0315 730 PHE A CG 5364 C CD1 . PHE A 668 ? 0.6087 0.4771 0.9020 0.1447 -0.0013 -0.0227 730 PHE A CD1 5365 C CD2 . PHE A 668 ? 0.6317 0.6345 0.8136 -0.0066 0.0028 0.0524 730 PHE A CD2 5366 C CE1 . PHE A 668 ? 0.6421 0.5407 0.9482 0.0879 -0.0110 0.0672 730 PHE A CE1 5367 C CE2 . PHE A 668 ? 0.5770 0.5215 0.9273 0.0523 -0.0008 0.0281 730 PHE A CE2 5368 C CZ . PHE A 668 ? 0.5646 0.4917 0.8887 0.1214 -0.0146 0.0142 730 PHE A CZ 5369 N N . GLU A 669 ? 0.7730 0.5453 0.9760 0.0896 -0.1855 -0.0274 731 GLU A N 5370 C CA . GLU A 669 ? 0.8123 0.5307 0.9439 0.1144 -0.0602 -0.0263 731 GLU A CA 5371 C C . GLU A 669 ? 0.7163 0.4872 1.0626 0.1526 -0.1079 0.0196 731 GLU A C 5372 O O . GLU A 669 ? 0.7290 0.5334 1.1305 0.1569 -0.0704 0.0436 731 GLU A O 5373 C CB . GLU A 669 ? 0.8431 0.5873 1.0306 0.1874 -0.0732 0.0818 731 GLU A CB 5374 C CG . GLU A 669 ? 0.8095 0.7308 1.0640 0.2824 -0.0990 0.1135 731 GLU A CG 5375 C CD . GLU A 669 ? 0.8239 0.9432 1.1204 0.3336 -0.1424 -0.0365 731 GLU A CD 5376 O OE1 . GLU A 669 ? 0.8643 0.8706 1.0028 0.2796 -0.1844 0.0951 731 GLU A OE1 5377 O OE2 . GLU A 669 ? 0.8448 0.8224 1.3332 0.4437 -0.1039 0.0362 731 GLU A OE2 5378 N N . THR A 670 ? 0.7671 0.5038 1.0752 0.1644 -0.0773 -0.0297 732 THR A N 5379 C CA . THR A 670 ? 0.9096 0.6317 1.1468 0.0024 -0.0575 -0.0976 732 THR A CA 5380 C C . THR A 670 ? 0.9702 0.4972 1.1361 0.0938 -0.1346 -0.0350 732 THR A C 5381 O O . THR A 670 ? 0.8733 0.4629 1.1654 0.1386 -0.1450 -0.0687 732 THR A O 5382 C CB . THR A 670 ? 0.9195 0.5918 1.2353 0.1427 -0.0532 -0.1628 732 THR A CB 5383 O OG1 . THR A 670 ? 0.9542 0.5801 1.3629 0.2223 -0.0830 -0.0450 732 THR A OG1 5384 C CG2 . THR A 670 ? 0.8721 0.6128 1.1724 -0.0010 0.0743 -0.1151 732 THR A CG2 5385 N N . LEU A 671 ? 0.9373 0.5199 1.2372 0.1174 -0.1631 0.0007 733 LEU A N 5386 C CA . LEU A 671 ? 0.8742 0.5779 1.1610 0.0114 -0.0967 -0.0461 733 LEU A CA 5387 C C . LEU A 671 ? 0.9227 0.5382 1.0513 -0.0428 -0.1561 -0.0169 733 LEU A C 5388 O O . LEU A 671 ? 0.8621 0.4099 1.0612 0.0285 -0.2057 0.0284 733 LEU A O 5389 C CB . LEU A 671 ? 0.8414 0.6224 1.1047 -0.0251 -0.1159 -0.0418 733 LEU A CB 5390 C CG . LEU A 671 ? 0.9174 0.5500 1.1318 0.0415 -0.1800 -0.0787 733 LEU A CG 5391 C CD1 . LEU A 671 ? 0.9824 0.7966 0.9680 0.0088 -0.1412 -0.1054 733 LEU A CD1 5392 C CD2 . LEU A 671 ? 0.6735 0.6084 1.0228 0.0092 -0.1294 -0.0637 733 LEU A CD2 5393 N N . THR A 672 ? 0.8921 0.4840 0.9960 0.0555 -0.1054 -0.0317 734 THR A N 5394 C CA . THR A 672 ? 0.7857 0.5140 1.0324 0.0830 -0.0911 0.0361 734 THR A CA 5395 C C . THR A 672 ? 0.9582 0.5026 1.0262 0.0257 -0.0400 0.0253 734 THR A C 5396 O O . THR A 672 ? 0.9732 0.5868 0.9553 0.0958 -0.0708 0.0538 734 THR A O 5397 C CB . THR A 672 ? 0.6669 0.4289 0.9518 0.1208 0.0258 0.0659 734 THR A CB 5398 O OG1 . THR A 672 ? 0.7838 0.4757 0.8821 0.1398 -0.1385 -0.0010 734 THR A OG1 5399 C CG2 . THR A 672 ? 0.7594 0.5226 0.9831 0.1616 -0.0941 0.1177 734 THR A CG2 5400 N N . LYS A 673 ? 0.8365 0.5777 1.0735 0.0625 -0.1400 0.0040 735 LYS A N 5401 C CA . LYS A 673 ? 0.8694 0.5424 1.1547 0.1288 -0.0627 0.0111 735 LYS A CA 5402 C C . LYS A 673 ? 0.9839 0.4681 1.2480 0.1307 -0.1061 -0.0021 735 LYS A C 5403 O O . LYS A 673 ? 0.7654 0.5354 1.3645 0.0065 -0.1555 0.1720 735 LYS A O 5404 C CB . LYS A 673 ? 0.8984 0.5180 1.1698 0.0737 -0.2098 0.0921 735 LYS A CB 5405 C CG . LYS A 673 ? 1.0353 0.4854 1.1671 0.0101 -0.1412 0.0956 735 LYS A CG 5406 C CD . LYS A 673 ? 1.0764 0.6483 1.3289 -0.0595 -0.1029 0.0800 735 LYS A CD 5407 C CE . LYS A 673 ? 1.1403 0.5570 1.2035 0.1253 0.0409 -0.1066 735 LYS A CE 5408 N NZ . LYS A 673 ? 1.0625 0.6397 1.2623 0.1146 0.0744 -0.1925 735 LYS A NZ 5409 N N . ASN A 674 ? 0.9474 0.4178 1.2769 0.2161 -0.0737 0.0935 736 ASN A N 5410 C CA . ASN A 674 ? 1.0481 0.4998 1.2738 0.2073 -0.1126 0.0733 736 ASN A CA 5411 C C . ASN A 674 ? 1.0138 0.5408 1.0359 0.1577 -0.0463 0.0977 736 ASN A C 5412 O O . ASN A 674 ? 0.9928 0.7515 1.0059 0.1536 -0.1263 0.1236 736 ASN A O 5413 C CB . ASN A 674 ? 1.0102 0.6143 1.0706 -0.0863 -0.2412 0.1417 736 ASN A CB 5414 C CG . ASN A 674 ? 0.9294 0.6984 1.3681 0.1755 -0.3200 0.2049 736 ASN A CG 5415 O OD1 . ASN A 674 ? 1.3153 0.7809 1.2900 0.3281 -0.1443 0.0703 736 ASN A OD1 5416 N ND2 . ASN A 674 ? 1.1120 0.5633 1.5225 0.1193 -0.0379 0.1196 736 ASN A ND2 5417 N N . TRP A 675 ? 0.8214 0.5259 1.0561 0.1205 -0.0050 0.1041 737 TRP A N 5418 C CA . TRP A 675 ? 0.8200 0.5005 1.0236 0.0664 0.0238 0.0951 737 TRP A CA 5419 C C . TRP A 675 ? 0.6966 0.5934 1.1951 0.0611 -0.0087 0.0668 737 TRP A C 5420 O O . TRP A 675 ? 0.6466 0.7761 1.0248 -0.1232 0.2059 0.0937 737 TRP A O 5421 C CB . TRP A 675 ? 0.8095 0.5663 1.0297 0.1167 0.0350 -0.0047 737 TRP A CB 5422 C CG . TRP A 675 ? 0.7692 0.5113 0.9980 0.0962 -0.0585 0.0494 737 TRP A CG 5423 C CD1 . TRP A 675 ? 0.7585 0.6749 0.9093 0.0804 -0.0795 0.0327 737 TRP A CD1 5424 C CD2 . TRP A 675 ? 0.7339 0.5317 0.9453 0.1212 -0.0830 0.0441 737 TRP A CD2 5425 N NE1 . TRP A 675 ? 0.7901 0.5674 0.9686 0.0661 -0.0697 0.0784 737 TRP A NE1 5426 C CE2 . TRP A 675 ? 0.7443 0.6285 0.9944 0.1184 -0.0477 0.0947 737 TRP A CE2 5427 C CE3 . TRP A 675 ? 0.6177 0.5488 0.9611 0.1156 -0.1073 0.0088 737 TRP A CE3 5428 C CZ2 . TRP A 675 ? 0.7996 0.5687 0.9937 0.1317 -0.0016 0.0820 737 TRP A CZ2 5429 C CZ3 . TRP A 675 ? 0.6018 0.5292 0.9132 0.0633 -0.1685 -0.0471 737 TRP A CZ3 5430 C CH2 . TRP A 675 ? 0.6191 0.6606 1.0353 0.1842 -0.0245 0.0214 737 TRP A CH2 5431 N N . THR A 676 ? 0.7690 0.5738 1.0506 0.0645 -0.0391 0.0927 738 THR A N 5432 C CA . THR A 676 ? 0.9034 0.6208 1.0449 0.0301 -0.0001 0.1864 738 THR A CA 5433 C C . THR A 676 ? 0.9274 0.7588 1.0687 0.0857 -0.0086 0.1709 738 THR A C 5434 O O . THR A 676 ? 0.9540 0.6090 1.1365 0.1495 0.0138 0.0887 738 THR A O 5435 C CB . THR A 676 ? 0.8965 0.5826 1.1490 0.1133 -0.1372 0.1444 738 THR A CB 5436 O OG1 . THR A 676 ? 1.0495 0.6408 1.1996 0.1558 -0.1197 0.0926 738 THR A OG1 5437 C CG2 . THR A 676 ? 0.8315 0.7705 1.0676 0.0197 -0.1146 0.1275 738 THR A CG2 5438 N N . GLU A 677 ? 0.9340 0.4396 1.0994 0.0701 -0.0723 0.2753 739 GLU A N 5439 C CA . GLU A 677 ? 0.8749 0.5496 1.0501 -0.0156 -0.0979 0.2015 739 GLU A CA 5440 C C . GLU A 677 ? 0.8009 0.5587 0.9539 0.0580 -0.0215 0.1442 739 GLU A C 5441 O O . GLU A 677 ? 0.8119 0.7124 0.9837 0.1088 -0.0233 0.0609 739 GLU A O 5442 C CB . GLU A 677 ? 1.0241 0.5711 1.0125 0.0708 -0.0789 0.0866 739 GLU A CB 5443 C CG . GLU A 677 ? 1.1277 0.7783 1.0963 0.0510 0.0457 -0.0669 739 GLU A CG 5444 C CD . GLU A 677 ? 1.1894 0.8987 1.0774 -0.1545 0.0655 0.0869 739 GLU A CD 5445 O OE1 . GLU A 677 ? 1.1994 1.1232 1.1098 -0.1286 0.0169 0.2689 739 GLU A OE1 5446 O OE2 . GLU A 677 ? 0.9705 0.9935 1.0863 -0.0289 -0.0725 -0.0373 739 GLU A OE2 5447 N N . ARG A 678 ? 0.7667 0.5002 0.9214 0.0367 -0.0324 0.1125 740 ARG A N 5448 C CA . ARG A 678 ? 0.7098 0.3938 0.9225 0.0200 -0.0082 0.0204 740 ARG A CA 5449 C C . ARG A 678 ? 0.7031 0.4049 0.9762 -0.0093 0.0068 0.0529 740 ARG A C 5450 O O . ARG A 678 ? 0.6981 0.3554 1.0508 0.0716 -0.1100 -0.0380 740 ARG A O 5451 C CB . ARG A 678 ? 0.7080 0.4084 0.8872 0.0437 0.0308 0.0962 740 ARG A CB 5452 C CG . ARG A 678 ? 0.7534 0.4822 0.8964 -0.0149 -0.0389 0.0955 740 ARG A CG 5453 C CD . ARG A 678 ? 0.6800 0.4284 0.8759 0.0500 -0.0226 0.0643 740 ARG A CD 5454 N NE . ARG A 678 ? 0.6642 0.4613 0.8889 0.0087 -0.0505 0.0890 740 ARG A NE 5455 C CZ . ARG A 678 ? 0.7334 0.5377 0.8110 0.0411 -0.0333 0.0707 740 ARG A CZ 5456 N NH1 . ARG A 678 ? 0.8065 0.5023 0.8864 0.1356 -0.0780 0.0256 740 ARG A NH1 5457 N NH2 . ARG A 678 ? 0.6514 0.6385 0.8630 0.0207 -0.0994 0.1904 740 ARG A NH2 5458 N N . PRO A 679 ? 0.6930 0.4878 0.9438 0.0116 -0.0295 0.1070 741 PRO A N 5459 C CA . PRO A 679 ? 0.6697 0.5154 0.9321 -0.0267 -0.0536 -0.0391 741 PRO A CA 5460 C C . PRO A 679 ? 0.7513 0.5425 0.8722 0.0893 -0.0747 -0.0131 741 PRO A C 5461 O O . PRO A 679 ? 0.7438 0.4125 0.8465 -0.0496 -0.0576 -0.0415 741 PRO A O 5462 C CB . PRO A 679 ? 0.6601 0.4839 0.8739 0.1022 -0.0332 0.0657 741 PRO A CB 5463 C CG . PRO A 679 ? 0.6799 0.5381 0.8421 0.0988 -0.0265 -0.0714 741 PRO A CG 5464 C CD . PRO A 679 ? 0.6686 0.5384 0.8529 0.0137 -0.0791 0.0360 741 PRO A CD 5465 N N . GLU A 680 ? 0.7264 0.6184 0.9433 -0.0543 -0.0432 -0.0775 742 GLU A N 5466 C CA . GLU A 680 ? 0.7459 0.4500 0.9549 -0.0099 -0.0185 -0.0926 742 GLU A CA 5467 C C . GLU A 680 ? 0.7812 0.5186 0.8895 0.0312 0.0355 0.0135 742 GLU A C 5468 O O . GLU A 680 ? 0.7209 0.6041 0.8427 -0.0368 0.0053 -0.0405 742 GLU A O 5469 C CB . GLU A 680 ? 0.8026 0.5054 0.9059 -0.1366 -0.0613 -0.0448 742 GLU A CB 5470 C CG . GLU A 680 ? 0.8306 0.5665 1.1040 -0.1868 -0.0961 -0.1214 742 GLU A CG 5471 C CD . GLU A 680 ? 1.0318 0.5344 1.3401 -0.1701 0.1578 -0.1649 742 GLU A CD 5472 O OE1 . GLU A 680 ? 0.9882 0.9446 1.2823 -0.1729 0.1379 -0.1960 742 GLU A OE1 5473 O OE2 . GLU A 680 ? 0.9341 1.0259 1.2252 -0.1828 0.1931 0.0728 742 GLU A OE2 5474 N N . ASN A 681 ? 0.6661 0.4409 0.8388 0.0279 0.0276 -0.0752 743 ASN A N 5475 C CA . ASN A 681 ? 0.6008 0.4558 0.7791 0.0101 0.0104 -0.0384 743 ASN A CA 5476 C C . ASN A 681 ? 0.5617 0.4108 0.8178 0.0780 -0.0084 -0.0561 743 ASN A C 5477 O O . ASN A 681 ? 0.6570 0.4108 0.8047 0.1287 -0.0437 -0.0566 743 ASN A O 5478 C CB . ASN A 681 ? 0.5784 0.5258 0.7708 0.0714 0.0058 -0.0559 743 ASN A CB 5479 C CG . ASN A 681 ? 0.6262 0.4975 0.8671 -0.0077 0.0579 -0.1192 743 ASN A CG 5480 O OD1 . ASN A 681 ? 0.7978 0.5412 0.9274 -0.0221 -0.0473 -0.1270 743 ASN A OD1 5481 N ND2 . ASN A 681 ? 0.6978 0.4981 0.8173 0.0933 -0.0647 -0.1050 743 ASN A ND2 5482 N N . LEU A 682 ? 0.5230 0.3899 0.7720 0.0261 -0.0673 -0.0416 744 LEU A N 5483 C CA . LEU A 682 ? 0.5059 0.4178 0.6510 0.0314 -0.0192 -0.0504 744 LEU A CA 5484 C C . LEU A 682 ? 0.4886 0.4129 0.6919 0.0563 0.0049 -0.0834 744 LEU A C 5485 O O . LEU A 682 ? 0.5098 0.4980 0.6756 0.0470 -0.0131 -0.0658 744 LEU A O 5486 C CB . LEU A 682 ? 0.5245 0.4037 0.7049 0.0696 0.0612 -0.0793 744 LEU A CB 5487 C CG . LEU A 682 ? 0.6226 0.4622 0.5927 -0.0300 -0.0697 -0.0742 744 LEU A CG 5488 C CD1 . LEU A 682 ? 0.6478 0.5814 0.6889 -0.0725 0.0436 -0.1148 744 LEU A CD1 5489 C CD2 . LEU A 682 ? 0.7019 0.4465 0.6904 0.0417 -0.0710 -0.0866 744 LEU A CD2 5490 N N . MET A 683 ? 0.4797 0.4986 0.6869 0.0622 0.0067 -0.0340 745 MET A N 5491 C CA . MET A 683 ? 0.5187 0.5235 0.7137 0.0417 0.0409 -0.0207 745 MET A CA 5492 C C . MET A 683 ? 0.5109 0.4561 0.7936 0.0262 0.0463 0.0173 745 MET A C 5493 O O . MET A 683 ? 0.5113 0.4784 0.7312 0.0972 -0.0015 -0.0328 745 MET A O 5494 C CB . MET A 683 ? 0.5568 0.5626 0.7395 0.0451 -0.0010 -0.0125 745 MET A CB 5495 C CG . MET A 683 ? 0.5821 0.4637 0.7602 0.0740 0.0172 -0.0797 745 MET A CG 5496 S SD . MET A 683 ? 0.5383 0.4687 0.7538 0.0663 -0.0445 -0.0594 745 MET A SD 5497 C CE . MET A 683 ? 0.5015 0.4746 0.7316 0.0234 -0.0348 -0.0312 745 MET A CE 5498 N N . ASP A 684 ? 0.5328 0.4462 0.7528 0.0750 0.0424 -0.0500 746 ASP A N 5499 C CA . ASP A 684 ? 0.5820 0.4450 0.7800 0.0667 0.0064 -0.0378 746 ASP A CA 5500 C C . ASP A 684 ? 0.5351 0.4113 0.7806 0.0468 -0.0067 -0.1079 746 ASP A C 5501 O O . ASP A 684 ? 0.5636 0.4992 0.7862 0.1158 -0.0244 0.0385 746 ASP A O 5502 C CB . ASP A 684 ? 0.5211 0.4188 0.7746 0.0684 -0.0129 -0.0207 746 ASP A CB 5503 C CG . ASP A 684 ? 0.6762 0.4851 0.7940 0.0475 0.0520 -0.0225 746 ASP A CG 5504 O OD1 . ASP A 684 ? 0.5400 0.5347 0.8277 -0.0358 0.0409 -0.0330 746 ASP A OD1 5505 O OD2 . ASP A 684 ? 0.6916 0.4954 0.8081 0.1266 -0.0696 -0.0288 746 ASP A OD2 5506 N N . GLN A 685 ? 0.5607 0.4525 0.7500 -0.0116 0.0040 -0.0393 747 GLN A N 5507 C CA . GLN A 685 ? 0.5691 0.5356 0.7620 -0.0200 0.0529 -0.0010 747 GLN A CA 5508 C C . GLN A 685 ? 0.5337 0.4756 0.7411 0.0645 0.0004 -0.0351 747 GLN A C 5509 O O . GLN A 685 ? 0.6174 0.4135 0.7009 0.0972 -0.0506 -0.0272 747 GLN A O 5510 C CB . GLN A 685 ? 0.4898 0.4834 0.7601 0.0162 -0.0269 0.0224 747 GLN A CB 5511 C CG . GLN A 685 ? 0.5733 0.4633 0.6923 0.0208 -0.0285 0.0352 747 GLN A CG 5512 C CD . GLN A 685 ? 0.5307 0.5691 0.7358 -0.0028 -0.0724 -0.0151 747 GLN A CD 5513 O OE1 . GLN A 685 ? 0.5963 0.5261 0.7575 0.0215 0.0123 0.0095 747 GLN A OE1 5514 N NE2 . GLN A 685 ? 0.6437 0.6123 0.8222 -0.1739 -0.0206 -0.0897 747 GLN A NE2 5515 N N . TYR A 686 ? 0.4104 0.4940 0.7242 0.0274 -0.0279 -0.0327 748 TYR A N 5516 C CA . TYR A 686 ? 0.4535 0.5167 0.6751 -0.0144 0.0312 0.0619 748 TYR A CA 5517 C C . TYR A 686 ? 0.4404 0.5718 0.6979 0.0387 -0.0168 -0.0738 748 TYR A C 5518 O O . TYR A 686 ? 0.4776 0.5033 0.6901 0.0183 0.0081 -0.0644 748 TYR A O 5519 C CB . TYR A 686 ? 0.5061 0.4316 0.7124 0.0479 0.0030 0.0084 748 TYR A CB 5520 C CG . TYR A 686 ? 0.5241 0.3770 0.6624 -0.0110 0.0599 -0.0440 748 TYR A CG 5521 C CD1 . TYR A 686 ? 0.4737 0.4439 0.6709 0.0068 0.0447 -0.0099 748 TYR A CD1 5522 C CD2 . TYR A 686 ? 0.5114 0.4964 0.6730 0.0929 -0.0287 -0.0111 748 TYR A CD2 5523 C CE1 . TYR A 686 ? 0.5322 0.3867 0.6656 0.0537 -0.0090 -0.0431 748 TYR A CE1 5524 C CE2 . TYR A 686 ? 0.5134 0.5839 0.6157 0.0659 0.0660 -0.0174 748 TYR A CE2 5525 C CZ . TYR A 686 ? 0.4694 0.4545 0.6921 -0.0168 0.0320 0.0476 748 TYR A CZ 5526 O OH . TYR A 686 ? 0.4984 0.5783 0.7414 0.0428 -0.0096 -0.0490 748 TYR A OH 5527 N N . SER A 687 ? 0.4460 0.5066 0.6424 0.0770 -0.0556 -0.0492 749 SER A N 5528 C CA . SER A 687 ? 0.4915 0.4971 0.6523 0.0914 0.0475 -0.0253 749 SER A CA 5529 C C . SER A 687 ? 0.4530 0.5159 0.7365 0.1233 0.0508 -0.0060 749 SER A C 5530 O O . SER A 687 ? 0.5301 0.5136 0.7121 0.1031 0.0125 -0.1192 749 SER A O 5531 C CB . SER A 687 ? 0.5212 0.5618 0.7587 0.1013 0.0752 -0.0950 749 SER A CB 5532 O OG . SER A 687 ? 0.4970 0.4911 0.8362 0.1087 0.0293 -0.0771 749 SER A OG 5533 N N . GLU A 688 ? 0.5403 0.4874 0.6671 0.0522 0.0243 -0.0449 750 GLU A N 5534 C CA . GLU A 688 ? 0.5795 0.5473 0.7475 0.0741 -0.0088 0.0160 750 GLU A CA 5535 C C . GLU A 688 ? 0.5177 0.4917 0.7541 0.0946 -0.0552 0.0414 750 GLU A C 5536 O O . GLU A 688 ? 0.4887 0.4600 0.7668 0.1864 -0.0412 -0.0754 750 GLU A O 5537 C CB . GLU A 688 ? 0.5661 0.4493 0.8018 0.1055 -0.0524 -0.0321 750 GLU A CB 5538 C CG . GLU A 688 ? 0.6094 0.4916 0.7912 0.0745 -0.1026 -0.0252 750 GLU A CG 5539 C CD . GLU A 688 ? 0.6003 0.5344 0.8698 0.0754 -0.1078 0.0048 750 GLU A CD 5540 O OE1 . GLU A 688 ? 0.6062 0.4873 0.8980 0.1283 -0.0607 -0.0279 750 GLU A OE1 5541 O OE2 . GLU A 688 ? 0.6762 0.5391 0.9014 0.0803 -0.1914 -0.0289 750 GLU A OE2 5542 N N . ILE A 689 ? 0.4895 0.4669 0.6802 0.0486 0.0221 0.0441 751 ILE A N 5543 C CA . ILE A 689 ? 0.4714 0.4850 0.7335 0.0747 0.0422 0.0262 751 ILE A CA 5544 C C . ILE A 689 ? 0.4166 0.5095 0.7257 0.0799 -0.0257 0.0159 751 ILE A C 5545 O O . ILE A 689 ? 0.4607 0.5149 0.7532 0.0548 -0.0771 -0.0002 751 ILE A O 5546 C CB . ILE A 689 ? 0.4665 0.4700 0.7255 0.0595 -0.0205 0.0455 751 ILE A CB 5547 C CG1 . ILE A 689 ? 0.4840 0.4899 0.6999 0.0566 -0.0171 0.1042 751 ILE A CG1 5548 C CG2 . ILE A 689 ? 0.4235 0.5199 0.6557 -0.0285 -0.0860 0.0417 751 ILE A CG2 5549 C CD1 . ILE A 689 ? 0.4492 0.5672 0.7072 0.0329 0.0060 0.1878 751 ILE A CD1 5550 N N . ASN A 690 ? 0.4192 0.5265 0.6940 0.0807 -0.0400 0.0011 752 ASN A N 5551 C CA . ASN A 690 ? 0.4631 0.5220 0.7646 0.0654 -0.0145 0.0297 752 ASN A CA 5552 C C . ASN A 690 ? 0.5060 0.5844 0.7504 0.1262 -0.0510 -0.0175 752 ASN A C 5553 O O . ASN A 690 ? 0.5102 0.5729 0.7377 0.0510 0.0284 0.0426 752 ASN A O 5554 C CB . ASN A 690 ? 0.4675 0.5609 0.7414 0.0792 -0.1007 -0.0130 752 ASN A CB 5555 C CG . ASN A 690 ? 0.4876 0.5586 0.6843 0.0746 -0.0286 0.0075 752 ASN A CG 5556 O OD1 . ASN A 690 ? 0.4294 0.5152 0.6734 0.1069 -0.0114 0.0022 752 ASN A OD1 5557 N ND2 . ASN A 690 ? 0.4808 0.5350 0.6939 0.0948 -0.0174 0.0306 752 ASN A ND2 5558 N N . ALA A 691 ? 0.5198 0.5401 0.7381 0.0862 -0.0733 0.0540 753 ALA A N 5559 C CA . ALA A 691 ? 0.4889 0.5365 0.7956 0.0621 -0.0479 0.0522 753 ALA A CA 5560 C C . ALA A 691 ? 0.4945 0.6040 0.8123 0.1277 -0.0378 0.0908 753 ALA A C 5561 O O . ALA A 691 ? 0.5252 0.5968 0.8415 0.1035 -0.0611 0.0468 753 ALA A O 5562 C CB . ALA A 691 ? 0.5079 0.5646 0.7670 0.1948 -0.0980 -0.0067 753 ALA A CB 5563 N N . ILE A 692 ? 0.5282 0.5369 0.7462 0.0334 -0.0756 0.0547 754 ILE A N 5564 C CA . ILE A 692 ? 0.5823 0.5312 0.7485 0.0707 -0.0429 0.0847 754 ILE A CA 5565 C C . ILE A 692 ? 0.5197 0.5402 0.6847 0.1151 -0.0556 0.0757 754 ILE A C 5566 O O . ILE A 692 ? 0.4895 0.5861 0.7952 0.0230 -0.0475 0.0271 754 ILE A O 5567 C CB . ILE A 692 ? 0.5422 0.5811 0.7858 0.0732 -0.0261 0.0173 754 ILE A CB 5568 C CG1 . ILE A 692 ? 0.5745 0.5892 0.8643 0.0415 0.0050 0.0344 754 ILE A CG1 5569 C CG2 . ILE A 692 ? 0.5189 0.6321 0.7781 0.1173 0.0561 0.0007 754 ILE A CG2 5570 C CD1 . ILE A 692 ? 0.6848 0.5851 0.9867 -0.0410 -0.0327 0.0821 754 ILE A CD1 5571 N N . SER A 693 ? 0.3942 0.5093 0.7341 0.0604 -0.0270 0.0901 755 SER A N 5572 C CA . SER A 693 ? 0.4230 0.5661 0.7282 0.0556 -0.0210 0.0217 755 SER A CA 5573 C C . SER A 693 ? 0.4434 0.5550 0.7702 0.0651 0.0055 0.0716 755 SER A C 5574 O O . SER A 693 ? 0.3919 0.5563 0.7424 0.0930 0.0330 0.0467 755 SER A O 5575 C CB . SER A 693 ? 0.3683 0.5378 0.7263 -0.0087 -0.0532 0.0343 755 SER A CB 5576 O OG . SER A 693 ? 0.4314 0.6020 0.7831 0.0754 -0.0423 -0.0901 755 SER A OG 5577 N N . THR A 694 ? 0.4474 0.5603 0.7419 0.0368 -0.0434 0.0662 756 THR A N 5578 C CA . THR A 694 ? 0.4713 0.6228 0.7473 0.0113 -0.0261 0.0215 756 THR A CA 5579 C C . THR A 694 ? 0.4327 0.6239 0.7246 0.0535 0.0729 0.0087 756 THR A C 5580 O O . THR A 694 ? 0.4524 0.6808 0.8408 0.1133 -0.1395 0.1443 756 THR A O 5581 C CB . THR A 694 ? 0.5106 0.6008 0.8008 0.0682 -0.0335 -0.0288 756 THR A CB 5582 O OG1 . THR A 694 ? 0.4627 0.5376 0.7397 0.0231 -0.0354 -0.0642 756 THR A OG1 5583 C CG2 . THR A 694 ? 0.5431 0.6517 0.7901 0.0662 -0.0436 0.0736 756 THR A CG2 5584 N N . ALA A 695 ? 0.5174 0.6359 0.7199 0.0854 -0.0364 0.0302 757 ALA A N 5585 C CA . ALA A 695 ? 0.5088 0.6571 0.8466 0.1084 -0.0426 0.0314 757 ALA A CA 5586 C C . ALA A 695 ? 0.5174 0.7238 0.8269 0.1568 -0.0457 0.0684 757 ALA A C 5587 O O . ALA A 695 ? 0.5320 0.6573 0.9109 0.1440 -0.0994 0.1371 757 ALA A O 5588 C CB . ALA A 695 ? 0.5452 0.6254 0.8315 0.0963 -0.0171 -0.0297 757 ALA A CB 5589 N N . CYS A 696 ? 0.5098 0.6796 0.7814 0.1011 -0.0427 0.1022 758 CYS A N 5590 C CA . CYS A 696 ? 0.5424 0.6253 0.8123 0.1570 -0.0891 0.0979 758 CYS A CA 5591 C C . CYS A 696 ? 0.4822 0.7220 0.8583 0.0782 -0.1314 0.0889 758 CYS A C 5592 O O . CYS A 696 ? 0.5819 0.7387 0.8021 0.0601 -0.1623 0.0596 758 CYS A O 5593 C CB . CYS A 696 ? 0.4600 0.6731 0.7935 0.0925 -0.1559 0.0815 758 CYS A CB 5594 S SG . CYS A 696 ? 0.5549 0.6839 0.8022 0.0866 -0.0427 0.0452 758 CYS A SG 5595 N N . SER A 697 ? 0.4142 0.6819 0.7784 0.0265 -0.0743 0.0560 759 SER A N 5596 C CA . SER A 697 ? 0.5026 0.6760 0.6967 0.0142 -0.0184 0.0155 759 SER A CA 5597 C C . SER A 697 ? 0.5337 0.7566 0.7973 -0.0071 0.0142 0.0203 759 SER A C 5598 O O . SER A 697 ? 0.4301 0.7855 0.8286 0.0236 -0.0500 0.0623 759 SER A O 5599 C CB . SER A 697 ? 0.5987 0.6944 0.7124 0.0076 -0.1075 0.0151 759 SER A CB 5600 O OG . SER A 697 ? 0.5936 0.8260 0.7757 0.0418 -0.0591 0.0526 759 SER A OG 5601 N N . ASN A 698 ? 0.4909 0.7594 0.8255 0.0509 -0.0719 0.0009 760 ASN A N 5602 C CA . ASN A 698 ? 0.4961 0.7675 0.8338 0.1584 -0.0695 -0.0060 760 ASN A CA 5603 C C . ASN A 698 ? 0.5004 0.8747 0.7675 0.1237 -0.1060 0.0846 760 ASN A C 5604 O O . ASN A 698 ? 0.4690 0.8843 0.9094 0.1120 -0.1366 0.0274 760 ASN A O 5605 C CB . ASN A 698 ? 0.5222 0.7423 0.8214 0.0853 -0.0336 0.0756 760 ASN A CB 5606 C CG . ASN A 698 ? 0.4155 0.7857 0.7863 0.0638 -0.0649 0.0627 760 ASN A CG 5607 O OD1 . ASN A 698 ? 0.3593 0.7679 0.7860 0.0904 -0.0403 0.0469 760 ASN A OD1 5608 N ND2 . ASN A 698 ? 0.3997 0.6951 0.6861 0.2223 -0.0472 0.0205 760 ASN A ND2 5609 N N . GLY A 699 ? 0.5904 0.8391 0.7574 0.0544 -0.0926 0.0756 761 GLY A N 5610 C CA . GLY A 699 ? 0.5543 0.7483 0.8106 0.0967 -0.0164 0.1047 761 GLY A CA 5611 C C . GLY A 699 ? 0.4712 0.8566 0.8256 0.1776 -0.0732 0.0643 761 GLY A C 5612 O O . GLY A 699 ? 0.4857 0.8150 0.9588 0.1308 -0.1656 0.0866 761 GLY A O 5613 N N . LEU A 700 ? 0.5776 0.8703 0.7565 0.1824 -0.1122 0.0631 762 LEU A N 5614 C CA . LEU A 700 ? 0.6294 0.8317 0.8242 0.1771 -0.0452 0.0836 762 LEU A CA 5615 C C . LEU A 700 ? 0.5902 0.6591 0.9094 0.2607 -0.0652 0.0845 762 LEU A C 5616 O O . LEU A 700 ? 0.5799 0.6796 0.8817 0.1195 -0.1117 0.0273 762 LEU A O 5617 C CB . LEU A 700 ? 0.5407 0.7606 0.8317 0.1836 -0.0032 0.0569 762 LEU A CB 5618 C CG . LEU A 700 ? 0.6192 0.7564 0.9207 0.1525 -0.0383 0.0406 762 LEU A CG 5619 C CD1 . LEU A 700 ? 0.4820 0.8599 0.9227 0.2056 -0.0963 0.0440 762 LEU A CD1 5620 C CD2 . LEU A 700 ? 0.4641 0.6918 0.9410 0.1790 0.0708 0.0378 762 LEU A CD2 5621 N N . PRO A 701 ? 0.5868 0.8147 0.9613 0.2591 -0.1297 0.1557 763 PRO A N 5622 C CA . PRO A 701 ? 0.6544 0.8115 0.9198 0.2247 -0.0294 0.0993 763 PRO A CA 5623 C C . PRO A 701 ? 0.5807 0.8619 0.8767 0.2201 -0.0214 0.0653 763 PRO A C 5624 O O . PRO A 701 ? 0.4552 0.8473 0.8907 0.2555 -0.0766 0.1107 763 PRO A O 5625 C CB . PRO A 701 ? 0.6490 0.8518 0.9764 0.2361 -0.1149 0.1919 763 PRO A CB 5626 C CG . PRO A 701 ? 0.5675 0.7685 1.0281 0.2752 -0.0867 0.1258 763 PRO A CG 5627 C CD . PRO A 701 ? 0.5696 0.7561 0.9240 0.1603 -0.1103 0.1124 763 PRO A CD 5628 N N . GLN A 702 ? 0.6436 0.7876 0.9338 0.2452 -0.0560 0.0166 764 GLN A N 5629 C CA . GLN A 702 ? 0.7089 0.7193 0.8975 0.2488 0.0022 0.0827 764 GLN A CA 5630 C C . GLN A 702 ? 0.6723 0.7027 0.9130 0.1868 -0.0370 0.0368 764 GLN A C 5631 O O . GLN A 702 ? 0.5786 0.6423 0.9718 0.1735 -0.0837 0.0378 764 GLN A O 5632 C CB . GLN A 702 ? 0.7638 0.7439 1.0376 0.1902 0.0236 -0.0109 764 GLN A CB 5633 C CG . GLN A 702 ? 0.7051 0.8534 1.2131 0.2346 -0.0039 0.0680 764 GLN A CG 5634 C CD . GLN A 702 ? 0.7493 0.9735 1.0589 0.1962 -0.0147 0.0411 764 GLN A CD 5635 O OE1 . GLN A 702 ? 0.7589 0.8239 1.2634 0.1961 -0.0774 0.1709 764 GLN A OE1 5636 N NE2 . GLN A 702 ? 0.6376 0.9399 1.0886 0.1453 -0.2363 0.0587 764 GLN A NE2 5637 N N . CYS A 703 ? 0.5629 0.6959 0.8771 0.2181 -0.1681 0.0378 765 CYS A N 5638 C CA . CYS A 703 ? 0.6466 0.6834 0.8370 0.2140 -0.0680 0.0803 765 CYS A CA 5639 C C . CYS A 703 ? 0.6381 0.7252 0.8949 0.1412 -0.0502 -0.0044 765 CYS A C 5640 O O . CYS A 703 ? 0.6101 0.6849 0.7907 0.1938 -0.1119 0.0485 765 CYS A O 5641 C CB . CYS A 703 ? 0.6366 0.5653 0.8518 0.2049 -0.0535 0.0104 765 CYS A CB 5642 S SG . CYS A 703 ? 0.6047 0.6482 0.8516 0.1399 -0.0835 0.0419 765 CYS A SG 5643 N N . GLU A 704 ? 0.6046 0.7085 0.8918 0.1567 -0.0473 -0.0010 766 GLU A N 5644 C CA . GLU A 704 ? 0.5223 0.6858 0.9089 0.2054 -0.0699 0.0792 766 GLU A CA 5645 C C . GLU A 704 ? 0.4836 0.6840 0.9087 0.1493 -0.1067 0.0544 766 GLU A C 5646 O O . GLU A 704 ? 0.6617 0.6210 0.9171 0.2072 -0.0562 0.1319 766 GLU A O 5647 C CB . GLU A 704 ? 0.6067 0.7172 0.9447 0.1296 -0.1222 0.0412 766 GLU A CB 5648 C CG . GLU A 704 ? 0.5237 0.8004 0.8867 0.1243 -0.0979 0.1284 766 GLU A CG 5649 C CD . GLU A 704 ? 0.5656 0.6907 0.9162 0.0976 -0.0398 0.0255 766 GLU A CD 5650 O OE1 . GLU A 704 ? 0.6133 0.6929 0.8768 0.0621 -0.0261 0.2164 766 GLU A OE1 5651 O OE2 . GLU A 704 ? 0.6884 0.6916 0.9031 0.0778 -0.0680 0.0982 766 GLU A OE2 5652 N N . ASN A 705 ? 0.4576 0.6146 0.9930 0.1110 -0.1825 0.0465 767 ASN A N 5653 C CA . ASN A 705 ? 0.6979 0.7634 0.9744 0.0644 -0.0383 0.1197 767 ASN A CA 5654 C C . ASN A 705 ? 0.6423 0.7260 0.9381 0.1629 -0.0542 0.0516 767 ASN A C 5655 O O . ASN A 705 ? 0.7083 0.7278 0.8810 0.2177 -0.1719 0.1593 767 ASN A O 5656 C CB . ASN A 705 ? 0.7355 0.8035 1.0323 0.1499 -0.0150 0.1408 767 ASN A CB 5657 C CG . ASN A 705 ? 0.8036 0.8356 1.2859 0.1658 0.0443 0.2259 767 ASN A CG 5658 O OD1 . ASN A 705 ? 0.9294 1.2743 1.5143 0.3749 -0.0246 0.0728 767 ASN A OD1 5659 N ND2 . ASN A 705 ? 0.8556 0.8189 1.2228 0.2114 0.1905 0.0570 767 ASN A ND2 5660 N N . LEU A 706 ? 0.6370 0.5984 0.9858 0.2418 -0.0461 0.1062 768 LEU A N 5661 C CA . LEU A 706 ? 0.6622 0.7193 0.9427 0.1575 -0.1625 0.0489 768 LEU A CA 5662 C C . LEU A 706 ? 0.5900 0.5877 1.0003 0.1649 -0.1488 0.1277 768 LEU A C 5663 O O . LEU A 706 ? 0.6341 0.5524 0.9964 0.1234 -0.1091 0.0790 768 LEU A O 5664 C CB . LEU A 706 ? 0.7334 0.6915 0.9400 0.1241 -0.1432 0.0974 768 LEU A CB 5665 C CG . LEU A 706 ? 0.7072 0.5717 0.9186 0.1190 -0.0605 0.1078 768 LEU A CG 5666 C CD1 . LEU A 706 ? 0.7495 0.5902 0.8274 0.0050 -0.2616 0.0651 768 LEU A CD1 5667 C CD2 . LEU A 706 ? 0.6047 0.6506 0.9480 0.2355 -0.1791 0.0332 768 LEU A CD2 5668 N N . ALA A 707 ? 0.5856 0.5859 0.9618 0.1369 -0.1943 0.1248 769 ALA A N 5669 C CA . ALA A 707 ? 0.6298 0.6616 0.8824 0.0860 -0.0739 0.1426 769 ALA A CA 5670 C C . ALA A 707 ? 0.5716 0.6999 0.9093 0.1156 -0.1182 0.1995 769 ALA A C 5671 O O . ALA A 707 ? 0.5461 0.5982 0.9090 0.1077 -0.1030 0.1563 769 ALA A O 5672 C CB . ALA A 707 ? 0.5888 0.6069 0.8685 0.1050 -0.1068 0.0785 769 ALA A CB 5673 N N . LYS A 708 ? 0.5803 0.6115 1.0020 0.1245 -0.1457 0.1777 770 LYS A N 5674 C CA . LYS A 708 ? 0.5988 0.6215 0.9433 0.0982 -0.1729 0.1072 770 LYS A CA 5675 C C . LYS A 708 ? 0.5109 0.7025 0.9726 0.0980 -0.1214 0.1600 770 LYS A C 5676 O O . LYS A 708 ? 0.6305 0.8036 0.8592 0.1148 -0.2045 0.1282 770 LYS A O 5677 C CB . LYS A 708 ? 0.6342 0.5597 1.0099 0.1516 -0.2235 0.1320 770 LYS A CB 5678 C CG . LYS A 708 ? 0.6048 0.6311 0.9781 0.1132 -0.1515 0.1892 770 LYS A CG 5679 C CD . LYS A 708 ? 0.6076 0.8379 0.9778 0.1553 -0.1643 0.2241 770 LYS A CD 5680 C CE . LYS A 708 ? 0.8550 0.7449 0.9584 0.0698 -0.2287 0.1414 770 LYS A CE 5681 N NZ . LYS A 708 ? 0.8546 0.8562 0.9205 0.0760 -0.2640 0.2748 770 LYS A NZ 5682 N N . THR A 709 ? 0.5704 0.6409 1.0570 0.1288 -0.1159 0.1669 771 THR A N 5683 C CA . THR A 709 ? 0.6848 0.5827 1.0677 0.1420 -0.1352 0.1680 771 THR A CA 5684 C C . THR A 709 ? 0.6929 0.6333 1.0164 0.1101 -0.1966 0.1985 771 THR A C 5685 O O . THR A 709 ? 0.7072 0.5935 1.0872 0.1155 -0.2373 0.2410 771 THR A O 5686 C CB . THR A 709 ? 0.7460 0.6548 1.0719 0.0786 -0.1454 0.1776 771 THR A CB 5687 O OG1 . THR A 709 ? 0.7800 0.6388 1.1551 0.1115 -0.0656 0.1947 771 THR A OG1 5688 C CG2 . THR A 709 ? 0.8291 0.5513 1.0916 0.1482 -0.0663 0.1129 771 THR A CG2 5689 N N . LEU A 710 ? 0.6707 0.4990 0.9620 0.0272 -0.1368 0.2067 772 LEU A N 5690 C CA . LEU A 710 ? 0.6917 0.6560 1.0116 0.0323 -0.1577 0.1399 772 LEU A CA 5691 C C . LEU A 710 ? 0.6087 0.5799 0.9401 0.0032 -0.1882 0.2105 772 LEU A C 5692 O O . LEU A 710 ? 0.7496 0.5024 0.9648 -0.0442 -0.1187 0.2833 772 LEU A O 5693 C CB . LEU A 710 ? 0.6852 0.6175 1.0054 0.1423 -0.0887 0.1397 772 LEU A CB 5694 C CG . LEU A 710 ? 0.6410 0.6025 1.0288 -0.0411 -0.2271 0.1599 772 LEU A CG 5695 C CD1 . LEU A 710 ? 0.6217 0.6334 0.9499 0.0054 -0.1450 0.0980 772 LEU A CD1 5696 C CD2 . LEU A 710 ? 0.6816 0.6886 0.9846 -0.1066 -0.1887 0.0658 772 LEU A CD2 5697 N N . PHE A 711 ? 0.6079 0.5491 0.9073 0.0022 -0.1199 0.2208 773 PHE A N 5698 C CA . PHE A 711 ? 0.6553 0.6119 0.9267 0.0239 -0.1272 0.1894 773 PHE A CA 5699 C C . PHE A 711 ? 0.7616 0.6902 0.8832 0.1229 -0.0880 0.1748 773 PHE A C 5700 O O . PHE A 711 ? 0.6901 0.6718 0.8485 0.0529 -0.1256 0.2196 773 PHE A O 5701 C CB . PHE A 711 ? 0.6519 0.6570 0.9011 -0.0115 -0.1107 0.1566 773 PHE A CB 5702 C CG . PHE A 711 ? 0.5970 0.6131 0.8511 -0.0595 -0.1379 0.1783 773 PHE A CG 5703 C CD1 . PHE A 711 ? 0.5042 0.5124 0.8524 -0.0965 -0.0683 0.1685 773 PHE A CD1 5704 C CD2 . PHE A 711 ? 0.4993 0.5548 0.8739 0.0796 -0.1820 0.1988 773 PHE A CD2 5705 C CE1 . PHE A 711 ? 0.6173 0.5032 0.8492 -0.0375 -0.0461 0.2268 773 PHE A CE1 5706 C CE2 . PHE A 711 ? 0.5718 0.6087 0.9431 0.0675 -0.1186 0.1156 773 PHE A CE2 5707 C CZ . PHE A 711 ? 0.5229 0.6369 0.8025 0.0201 -0.0385 0.1836 773 PHE A CZ 5708 N N . ASP A 712 ? 0.6012 0.7049 0.9688 0.0132 -0.1356 0.2856 774 ASP A N 5709 C CA . ASP A 712 ? 0.7688 0.7511 0.9220 0.0303 -0.1620 0.2548 774 ASP A CA 5710 C C . ASP A 712 ? 0.7037 0.7252 0.9336 0.0615 -0.1611 0.2500 774 ASP A C 5711 O O . ASP A 712 ? 0.6861 0.7786 0.9847 0.0126 -0.1462 0.1770 774 ASP A O 5712 C CB . ASP A 712 ? 0.7921 0.7897 0.9423 0.0727 -0.2049 0.1646 774 ASP A CB 5713 C CG . ASP A 712 ? 0.8175 0.7055 1.0316 0.0999 -0.2223 0.1847 774 ASP A CG 5714 O OD1 . ASP A 712 ? 0.8841 0.6001 1.1548 0.1525 -0.2642 0.2406 774 ASP A OD1 5715 O OD2 . ASP A 712 ? 0.8630 1.0017 0.8658 0.1242 0.0141 0.3349 774 ASP A OD2 5716 N N . GLN A 713 ? 0.6115 0.6658 0.9797 0.0079 -0.1361 0.2350 775 GLN A N 5717 C CA . GLN A 713 ? 0.7544 0.7102 0.9149 -0.0847 -0.1723 0.3338 775 GLN A CA 5718 C C . GLN A 713 ? 0.8428 0.5796 0.9384 -0.0603 -0.1663 0.2615 775 GLN A C 5719 O O . GLN A 713 ? 0.8018 0.5499 1.1175 -0.0139 -0.0720 0.3342 775 GLN A O 5720 C CB . GLN A 713 ? 0.8754 0.5341 0.8830 0.0991 -0.0581 0.3763 775 GLN A CB 5721 C CG . GLN A 713 ? 0.9665 0.6413 1.1045 -0.0091 -0.0427 0.3546 775 GLN A CG 5722 C CD . GLN A 713 ? 0.9195 0.9377 1.1749 -0.0683 -0.1015 0.3057 775 GLN A CD 5723 O OE1 . GLN A 713 ? 1.2677 0.6384 1.2874 -0.1426 -0.0021 0.3829 775 GLN A OE1 5724 N NE2 . GLN A 713 ? 0.9610 0.6402 1.1082 -0.0197 -0.0805 0.2178 775 GLN A NE2 5725 N N . TRP A 714 ? 0.6763 0.6484 0.8310 -0.0738 -0.2135 0.3217 776 TRP A N 5726 C CA . TRP A 714 ? 0.8612 0.6340 0.9242 -0.0155 -0.1017 0.3176 776 TRP A CA 5727 C C . TRP A 714 ? 0.7185 0.7467 1.0107 -0.1227 -0.0903 0.2310 776 TRP A C 5728 O O . TRP A 714 ? 0.6560 0.5049 1.0607 -0.1273 -0.1017 0.2985 776 TRP A O 5729 C CB . TRP A 714 ? 0.8334 0.5907 0.8287 -0.0593 -0.1339 0.2679 776 TRP A CB 5730 C CG . TRP A 714 ? 0.7820 0.6731 0.6625 -0.1004 -0.0403 0.3364 776 TRP A CG 5731 C CD1 . TRP A 714 ? 0.6880 0.6143 0.9248 -0.0950 -0.0507 0.2501 776 TRP A CD1 5732 C CD2 . TRP A 714 ? 0.5769 0.6447 0.8579 -0.0264 -0.1117 0.1671 776 TRP A CD2 5733 N NE1 . TRP A 714 ? 0.7049 0.6752 0.8076 -0.0166 -0.1232 0.2635 776 TRP A NE1 5734 C CE2 . TRP A 714 ? 0.6089 0.6902 0.7922 -0.0040 -0.0987 0.2632 776 TRP A CE2 5735 C CE3 . TRP A 714 ? 0.5784 0.6292 0.8208 0.0429 -0.0385 0.1744 776 TRP A CE3 5736 C CZ2 . TRP A 714 ? 0.6976 0.6259 0.8885 -0.0892 -0.1645 0.2283 776 TRP A CZ2 5737 C CZ3 . TRP A 714 ? 0.5983 0.6155 0.8447 -0.0049 -0.2294 0.1055 776 TRP A CZ3 5738 C CH2 . TRP A 714 ? 0.6287 0.6202 0.8085 -0.0811 -0.1730 0.1541 776 TRP A CH2 5739 N N . MET A 715 ? 0.6818 0.6717 0.9885 -0.1391 -0.0635 0.2244 777 MET A N 5740 C CA . MET A 715 ? 0.6935 0.7949 0.9422 -0.0678 -0.1352 0.2867 777 MET A CA 5741 C C . MET A 715 ? 0.7164 0.8382 0.9461 -0.0246 -0.0551 0.3027 777 MET A C 5742 O O . MET A 715 ? 0.6348 0.9993 0.8400 -0.0658 -0.1011 0.4510 777 MET A O 5743 C CB . MET A 715 ? 0.6793 0.7509 0.9724 -0.0057 -0.2180 0.3199 777 MET A CB 5744 C CG . MET A 715 ? 0.7699 0.7441 0.8403 -0.1201 -0.2127 0.2933 777 MET A CG 5745 S SD . MET A 715 ? 0.6643 0.8262 0.9780 -0.0555 -0.0554 0.3247 777 MET A SD 5746 C CE . MET A 715 ? 0.7773 0.8318 1.0376 0.0178 -0.0862 0.2761 777 MET A CE 5747 N N . SER A 716 ? 0.7387 0.7373 0.9854 -0.0846 -0.1036 0.3035 778 SER A N 5748 C CA . SER A 716 ? 0.8898 0.8035 1.0303 -0.1143 -0.0858 0.3432 778 SER A CA 5749 C C . SER A 716 ? 0.9638 0.6009 0.8433 -0.2509 0.1090 0.5710 778 SER A C 5750 O O . SER A 716 ? 0.8883 0.6297 0.8758 -0.3801 -0.1489 0.6360 778 SER A O 5751 C CB . SER A 716 ? 1.0434 0.8264 1.0907 0.0090 -0.1323 0.3627 778 SER A CB 5752 O OG . SER A 716 ? 1.1412 0.7790 0.9826 0.0208 0.0640 0.3094 778 SER A OG 5753 N N . ASP A 717 ? 1.0055 0.8062 0.9658 -0.0984 -0.0327 0.4167 779 ASP A N 5754 C CA . ASP A 717 ? 1.0269 0.7574 1.1270 -0.0887 -0.1623 0.3346 779 ASP A CA 5755 C C . ASP A 717 ? 0.9082 0.8142 1.1771 -0.0595 -0.1535 0.2770 779 ASP A C 5756 O O . ASP A 717 ? 0.9244 0.6323 1.2735 -0.1077 -0.2368 0.3577 779 ASP A O 5757 C CB . ASP A 717 ? 0.8841 0.9131 1.1301 -0.0697 -0.1915 0.2451 779 ASP A CB 5758 C CG . ASP A 717 ? 0.9666 0.9665 1.1452 -0.1679 -0.0403 0.1706 779 ASP A CG 5759 O OD1 . ASP A 717 ? 0.8254 0.6785 0.8814 -0.1752 -0.1212 0.4099 779 ASP A OD1 5760 O OD2 . ASP A 717 ? 0.9583 0.9308 1.2615 -0.0853 -0.1646 0.1538 779 ASP A OD2 5761 N N . PRO A 718 ? 0.5986 0.9156 1.0139 -0.0694 -0.0754 0.2681 780 PRO A N 5762 C CA . PRO A 718 ? 0.8151 0.8754 0.9084 -0.1188 0.0401 0.3315 780 PRO A CA 5763 C C . PRO A 718 ? 0.7484 0.7914 1.0202 -0.2297 0.0862 0.3207 780 PRO A C 5764 O O . PRO A 718 ? 0.7722 0.7955 1.0802 0.0325 -0.0103 0.2326 780 PRO A O 5765 C CB . PRO A 718 ? 0.7632 0.8087 1.0300 -0.1382 -0.0706 0.2744 780 PRO A CB 5766 C CG . PRO A 718 ? 0.9272 0.8865 0.8271 -0.1096 -0.0517 0.3611 780 PRO A CG 5767 C CD . PRO A 718 ? 0.7837 0.9386 0.9961 -0.1234 -0.0888 0.2302 780 PRO A CD 5768 N N . GLU A 719 ? 0.7949 0.7575 1.0906 -0.2670 0.0306 0.3441 781 GLU A N 5769 C CA . GLU A 719 ? 0.8181 0.7954 1.1303 -0.1531 -0.0418 0.3365 781 GLU A CA 5770 C C . GLU A 719 ? 0.7623 0.7772 1.0999 -0.0932 -0.0376 0.3821 781 GLU A C 5771 O O . GLU A 719 ? 0.7789 0.7222 1.0928 -0.0672 -0.0583 0.3380 781 GLU A O 5772 C CB . GLU A 719 ? 0.8431 0.9800 1.1274 -0.1750 0.0432 0.2863 781 GLU A CB 5773 C CG . GLU A 719 ? 0.9002 1.1430 1.2020 -0.0973 0.0065 0.2585 781 GLU A CG 5774 C CD . GLU A 719 ? 0.8026 1.0904 1.3179 -0.0502 -0.0585 0.2915 781 GLU A CD 5775 O OE1 . GLU A 719 ? 0.8038 1.4803 1.4519 -0.0303 0.0146 0.1536 781 GLU A OE1 5776 O OE2 . GLU A 719 ? 1.0025 1.3655 1.5185 0.2090 -0.2222 0.0974 781 GLU A OE2 5777 N N . ASN A 720 ? 0.7666 0.5802 1.1828 -0.0523 -0.0946 0.4280 782 ASN A N 5778 C CA . ASN A 720 ? 0.7400 0.7360 1.1927 -0.0943 -0.0734 0.3247 782 ASN A CA 5779 C C . ASN A 720 ? 0.8459 0.7028 1.0055 -0.0699 -0.0470 0.2997 782 ASN A C 5780 O O . ASN A 720 ? 0.7936 0.7977 0.9598 -0.1131 0.0691 0.3720 782 ASN A O 5781 C CB . ASN A 720 ? 0.8817 0.7424 1.0290 -0.1724 -0.1007 0.3222 782 ASN A CB 5782 C CG . ASN A 720 ? 0.7442 0.8530 1.2112 -0.1761 -0.1211 0.3321 782 ASN A CG 5783 O OD1 . ASN A 720 ? 1.0405 0.9698 1.2912 -0.1080 -0.0229 0.4673 782 ASN A OD1 5784 N ND2 . ASN A 720 ? 0.7641 0.8545 1.0783 -0.1473 -0.1481 0.4044 782 ASN A ND2 5785 N N . ASN A 721 ? 0.7843 0.6446 1.0454 -0.0410 -0.0027 0.2393 783 ASN A N 5786 C CA . ASN A 721 ? 0.7370 0.7419 0.9329 -0.0493 -0.0518 0.2475 783 ASN A CA 5787 C C . ASN A 721 ? 0.6987 0.5849 0.9420 -0.0330 -0.1225 0.2591 783 ASN A C 5788 O O . ASN A 721 ? 0.7077 0.4602 1.0923 -0.0036 -0.1831 0.2156 783 ASN A O 5789 C CB . ASN A 721 ? 0.6022 0.6039 0.9063 -0.1552 -0.0898 0.0862 783 ASN A CB 5790 C CG . ASN A 721 ? 0.6353 0.6043 0.8790 -0.0753 -0.1116 0.2482 783 ASN A CG 5791 O OD1 . ASN A 721 ? 0.5687 0.6429 0.9056 -0.0369 -0.1708 0.2316 783 ASN A OD1 5792 N ND2 . ASN A 721 ? 0.4920 0.6391 0.8481 -0.0458 -0.0261 0.1360 783 ASN A ND2 5793 N N . PRO A 722 ? 0.6960 0.6056 1.0422 -0.0363 -0.1555 0.2338 784 PRO A N 5794 C CA . PRO A 722 ? 0.7227 0.6064 1.0595 -0.0179 -0.1943 0.1954 784 PRO A CA 5795 C C . PRO A 722 ? 0.6181 0.5413 1.0351 0.0002 -0.1882 0.1488 784 PRO A C 5796 O O . PRO A 722 ? 0.8696 0.5558 1.1200 -0.0451 -0.1379 0.1023 784 PRO A O 5797 C CB . PRO A 722 ? 0.7802 0.5574 1.0579 0.0764 -0.1231 0.1771 784 PRO A CB 5798 C CG . PRO A 722 ? 0.6825 0.7393 1.0726 0.0480 -0.2699 0.2036 784 PRO A CG 5799 C CD . PRO A 722 ? 0.7614 0.6715 1.0326 0.0745 -0.2595 0.2536 784 PRO A CD 5800 N N . ILE A 723 ? 0.5188 0.5298 0.8631 0.0105 -0.2292 0.1242 785 ILE A N 5801 C CA . ILE A 723 ? 0.5539 0.5614 0.8783 0.0095 -0.1086 0.1204 785 ILE A CA 5802 C C . ILE A 723 ? 0.5530 0.5382 0.9372 0.0037 -0.1326 0.0751 785 ILE A C 5803 O O . ILE A 723 ? 0.5242 0.5302 0.8783 -0.0642 -0.0614 0.1108 785 ILE A O 5804 C CB . ILE A 723 ? 0.5198 0.5540 0.8531 0.0491 -0.1059 0.0954 785 ILE A CB 5805 C CG1 . ILE A 723 ? 0.6075 0.5420 0.8931 0.0826 -0.1172 0.2179 785 ILE A CG1 5806 C CG2 . ILE A 723 ? 0.5463 0.4815 0.8951 0.1650 -0.0854 0.1458 785 ILE A CG2 5807 C CD1 . ILE A 723 ? 0.4074 0.5950 0.9016 0.0468 -0.1200 0.2086 785 ILE A CD1 5808 N N . HIS A 724 ? 0.5309 0.4966 0.8757 0.0021 -0.1228 0.0955 786 HIS A N 5809 C CA . HIS A 724 ? 0.4935 0.4861 0.8946 -0.0313 -0.1103 0.0888 786 HIS A CA 5810 C C . HIS A 724 ? 0.4857 0.4709 0.7854 0.0564 -0.0944 -0.0274 786 HIS A C 5811 O O . HIS A 724 ? 0.5297 0.4569 0.8419 0.0107 -0.0364 0.0294 786 HIS A O 5812 C CB . HIS A 724 ? 0.5892 0.4950 0.8642 -0.0720 -0.1332 0.1075 786 HIS A CB 5813 C CG . HIS A 724 ? 0.5414 0.5543 0.9889 -0.0019 -0.1496 0.0839 786 HIS A CG 5814 N ND1 . HIS A 724 ? 0.5149 0.5645 0.9549 -0.0155 -0.1405 0.1003 786 HIS A ND1 5815 C CD2 . HIS A 724 ? 0.5393 0.4512 0.9730 -0.0090 -0.0589 0.0893 786 HIS A CD2 5816 C CE1 . HIS A 724 ? 0.5786 0.4707 0.9892 -0.0401 -0.1819 0.0863 786 HIS A CE1 5817 N NE2 . HIS A 724 ? 0.4906 0.5272 0.9862 -0.1115 -0.0953 0.1198 786 HIS A NE2 5818 N N . PRO A 725 ? 0.4803 0.5600 0.8271 0.0734 -0.0606 0.0661 787 PRO A N 5819 C CA . PRO A 725 ? 0.4874 0.5409 0.7406 0.0179 -0.0550 0.0263 787 PRO A CA 5820 C C . PRO A 725 ? 0.4795 0.5137 0.7233 0.0069 -0.0826 0.0491 787 PRO A C 5821 O O . PRO A 725 ? 0.5121 0.5271 0.7019 0.0244 -0.0452 -0.0040 787 PRO A O 5822 C CB . PRO A 725 ? 0.5183 0.5616 0.7281 0.0699 -0.0478 0.0432 787 PRO A CB 5823 C CG . PRO A 725 ? 0.5155 0.5557 0.8490 0.0551 -0.0316 0.0579 787 PRO A CG 5824 C CD . PRO A 725 ? 0.5644 0.4600 0.8484 0.0318 -0.0589 0.0850 787 PRO A CD 5825 N N . ASN A 726 ? 0.4851 0.5336 0.7037 0.0187 -0.1147 0.0529 788 ASN A N 5826 C CA . ASN A 726 ? 0.4656 0.5161 0.7146 0.0564 -0.0422 -0.0100 788 ASN A CA 5827 C C . ASN A 726 ? 0.5176 0.5220 0.7696 0.0376 -0.1107 0.0396 788 ASN A C 5828 O O . ASN A 726 ? 0.6306 0.5754 0.7412 0.0059 -0.0855 0.0914 788 ASN A O 5829 C CB . ASN A 726 ? 0.4938 0.4679 0.7339 0.0411 -0.0650 -0.0003 788 ASN A CB 5830 C CG . ASN A 726 ? 0.4869 0.4599 0.7219 0.0446 -0.0454 0.0458 788 ASN A CG 5831 O OD1 . ASN A 726 ? 0.4677 0.4322 0.7386 0.0423 -0.0759 0.0961 788 ASN A OD1 5832 N ND2 . ASN A 726 ? 0.4517 0.5170 0.7238 0.0406 -0.1221 -0.0169 788 ASN A ND2 5833 N N . LEU A 727 ? 0.5635 0.5339 0.6904 0.0018 -0.0838 0.0726 789 LEU A N 5834 C CA . LEU A 727 ? 0.5197 0.5215 0.7174 0.0249 -0.0290 0.1109 789 LEU A CA 5835 C C . LEU A 727 ? 0.4794 0.4465 0.7605 0.0807 -0.0808 0.1216 789 LEU A C 5836 O O . LEU A 727 ? 0.5450 0.6077 0.7839 0.0555 -0.1929 0.0645 789 LEU A O 5837 C CB . LEU A 727 ? 0.4781 0.5530 0.7501 0.0536 -0.1297 0.0493 789 LEU A CB 5838 C CG . LEU A 727 ? 0.5549 0.6181 0.7996 0.0686 -0.0099 0.0177 789 LEU A CG 5839 C CD1 . LEU A 727 ? 0.6527 0.6212 0.8863 0.0978 -0.0779 0.1375 789 LEU A CD1 5840 C CD2 . LEU A 727 ? 0.7481 0.6854 0.8642 -0.0950 -0.0807 0.0763 789 LEU A CD2 5841 N N . ARG A 728 ? 0.5278 0.4904 0.6795 -0.0003 -0.0155 0.0951 790 ARG A N 5842 C CA . ARG A 728 ? 0.4817 0.4757 0.6815 0.0230 -0.0691 0.0855 790 ARG A CA 5843 C C . ARG A 728 ? 0.4693 0.5354 0.7057 -0.0041 -0.0861 0.0788 790 ARG A C 5844 O O . ARG A 728 ? 0.4440 0.5039 0.7129 0.0072 -0.0790 0.0757 790 ARG A O 5845 C CB . ARG A 728 ? 0.4547 0.5330 0.7215 -0.0051 -0.0910 0.0540 790 ARG A CB 5846 C CG . ARG A 728 ? 0.4829 0.5253 0.7598 0.0239 -0.0621 0.0679 790 ARG A CG 5847 C CD . ARG A 728 ? 0.5143 0.5205 0.7930 0.0146 0.0107 0.1226 790 ARG A CD 5848 N NE . ARG A 728 ? 0.5497 0.4790 0.8151 0.0213 0.0168 0.0842 790 ARG A NE 5849 C CZ . ARG A 728 ? 0.5640 0.4428 0.7685 0.0040 -0.0123 0.0978 790 ARG A CZ 5850 N NH1 . ARG A 728 ? 0.4769 0.4511 0.6937 -0.0154 -0.0217 0.1130 790 ARG A NH1 5851 N NH2 . ARG A 728 ? 0.5836 0.4962 0.8465 -0.0929 -0.1111 0.0882 790 ARG A NH2 5852 N N . SER A 729 ? 0.3812 0.5165 0.7134 -0.0094 -0.0924 0.0818 791 SER A N 5853 C CA . SER A 729 ? 0.5014 0.5078 0.7094 0.0220 -0.1483 -0.0103 791 SER A CA 5854 C C . SER A 729 ? 0.4723 0.5704 0.6836 -0.0148 -0.0609 0.0087 791 SER A C 5855 O O . SER A 729 ? 0.4484 0.5687 0.7725 -0.0795 -0.0458 0.0151 791 SER A O 5856 C CB . SER A 729 ? 0.5302 0.6052 0.6124 -0.0672 -0.1355 0.0335 791 SER A CB 5857 O OG . SER A 729 ? 0.5231 0.6950 0.6997 0.0029 -0.0081 0.0797 791 SER A OG 5858 N N . THR A 730 ? 0.4659 0.5226 0.6826 0.0369 -0.0836 0.0474 792 THR A N 5859 C CA . THR A 730 ? 0.4638 0.5063 0.7677 0.0293 -0.0816 0.0387 792 THR A CA 5860 C C . THR A 730 ? 0.5476 0.5826 0.7062 -0.0108 -0.0869 0.0249 792 THR A C 5861 O O . THR A 730 ? 0.4021 0.6692 0.7893 0.0493 -0.0443 0.0687 792 THR A O 5862 C CB . THR A 730 ? 0.4999 0.5801 0.7255 0.0777 -0.1057 0.0752 792 THR A CB 5863 O OG1 . THR A 730 ? 0.5338 0.5262 0.7559 0.0110 -0.0882 0.0920 792 THR A OG1 5864 C CG2 . THR A 730 ? 0.4773 0.4534 0.7737 0.0081 -0.0969 -0.0355 792 THR A CG2 5865 N N . ILE A 731 ? 0.5239 0.5537 0.7806 0.0421 -0.0804 0.0627 793 ILE A N 5866 C CA . ILE A 731 ? 0.5676 0.5963 0.7253 -0.0051 -0.0799 0.0848 793 ILE A CA 5867 C C . ILE A 731 ? 0.5551 0.5353 0.7335 0.0620 -0.0725 0.0742 793 ILE A C 5868 O O . ILE A 731 ? 0.5214 0.6449 0.8095 0.1207 -0.0707 0.0588 793 ILE A O 5869 C CB . ILE A 731 ? 0.4906 0.5994 0.7911 0.0244 -0.1639 0.0799 793 ILE A CB 5870 C CG1 . ILE A 731 ? 0.5847 0.5384 0.7364 0.1300 -0.0576 0.1026 793 ILE A CG1 5871 C CG2 . ILE A 731 ? 0.4855 0.5467 0.7266 0.0145 -0.1079 0.0663 793 ILE A CG2 5872 C CD1 . ILE A 731 ? 0.5431 0.5959 0.8606 0.0574 -0.0472 0.0588 793 ILE A CD1 5873 N N . TYR A 732 ? 0.5269 0.5816 0.7890 0.0663 -0.0639 0.0922 794 TYR A N 5874 C CA . TYR A 732 ? 0.4909 0.5306 0.7698 0.0456 -0.0314 0.0921 794 TYR A CA 5875 C C . TYR A 732 ? 0.4868 0.5918 0.7538 0.0322 -0.0611 0.0781 794 TYR A C 5876 O O . TYR A 732 ? 0.4480 0.6923 0.7363 -0.0907 -0.0255 0.1872 794 TYR A O 5877 C CB . TYR A 732 ? 0.4455 0.5348 0.7581 0.0427 -0.1178 0.0758 794 TYR A CB 5878 C CG . TYR A 732 ? 0.5215 0.5426 0.6481 -0.0112 -0.0160 0.0655 794 TYR A CG 5879 C CD1 . TYR A 732 ? 0.5437 0.5307 0.7558 0.0426 -0.0345 0.0495 794 TYR A CD1 5880 C CD2 . TYR A 732 ? 0.4696 0.5820 0.6902 -0.0510 -0.1663 0.0461 794 TYR A CD2 5881 C CE1 . TYR A 732 ? 0.4802 0.5531 0.8113 0.0285 -0.1208 -0.0284 794 TYR A CE1 5882 C CE2 . TYR A 732 ? 0.4660 0.5777 0.7724 -0.0059 -0.1391 0.1449 794 TYR A CE2 5883 C CZ . TYR A 732 ? 0.4584 0.5529 0.7714 -0.0178 -0.0837 0.0466 794 TYR A CZ 5884 O OH . TYR A 732 ? 0.5266 0.5288 0.7414 -0.0615 -0.0960 0.1360 794 TYR A OH 5885 N N . CYS A 733 ? 0.4570 0.5201 0.7594 0.0580 -0.0438 0.0799 795 CYS A N 5886 C CA . CYS A 733 ? 0.4458 0.5773 0.7206 0.0445 -0.1015 0.0925 795 CYS A CA 5887 C C . CYS A 733 ? 0.3991 0.6292 0.7487 0.0246 -0.0612 0.0527 795 CYS A C 5888 O O . CYS A 733 ? 0.4212 0.6708 0.7598 -0.0309 -0.0306 -0.0023 795 CYS A O 5889 C CB . CYS A 733 ? 0.5330 0.5156 0.7664 -0.0024 -0.1104 0.0968 795 CYS A CB 5890 S SG . CYS A 733 ? 0.5518 0.6738 0.7605 -0.0419 -0.0817 0.0290 795 CYS A SG 5891 N N . ASN A 734 ? 0.4384 0.6203 0.7835 0.0575 -0.1105 0.0232 796 ASN A N 5892 C CA . ASN A 734 ? 0.4612 0.6484 0.8674 0.0957 -0.1225 0.0717 796 ASN A CA 5893 C C . ASN A 734 ? 0.4906 0.7105 0.8098 0.0097 -0.0273 0.1069 796 ASN A C 5894 O O . ASN A 734 ? 0.5352 0.6495 0.8474 0.0392 -0.0952 0.1274 796 ASN A O 5895 C CB . ASN A 734 ? 0.4969 0.6200 0.8169 0.0973 -0.0503 0.1260 796 ASN A CB 5896 C CG . ASN A 734 ? 0.5082 0.6444 0.8656 0.1077 -0.0725 0.0783 796 ASN A CG 5897 O OD1 . ASN A 734 ? 0.4571 0.6222 0.9147 0.0821 -0.1006 0.0821 796 ASN A OD1 5898 N ND2 . ASN A 734 ? 0.4277 0.7279 0.8750 0.0213 -0.0804 0.0174 796 ASN A ND2 5899 N N . ALA A 735 ? 0.4786 0.5157 0.8446 -0.0113 -0.1119 0.1006 797 ALA A N 5900 C CA . ALA A 735 ? 0.6140 0.6424 0.8673 0.0070 -0.1601 0.1302 797 ALA A CA 5901 C C . ALA A 735 ? 0.6250 0.6410 0.8692 0.0308 -0.1043 0.1331 797 ALA A C 5902 O O . ALA A 735 ? 0.5868 0.6215 0.8509 0.0417 -0.0792 0.0706 797 ALA A O 5903 C CB . ALA A 735 ? 0.5098 0.6242 0.8951 0.0797 -0.1311 0.1455 797 ALA A CB 5904 N N . ILE A 736 ? 0.4144 0.6242 0.7963 -0.0322 -0.0193 0.1160 798 ILE A N 5905 C CA . ILE A 736 ? 0.5346 0.5787 0.8202 -0.0647 -0.1163 0.1161 798 ILE A CA 5906 C C . ILE A 736 ? 0.3964 0.8526 0.8378 0.0379 -0.0288 0.0871 798 ILE A C 5907 O O . ILE A 736 ? 0.4836 0.8624 0.9188 -0.0919 -0.0806 0.0813 798 ILE A O 5908 C CB . ILE A 736 ? 0.4431 0.6877 0.8039 -0.0632 -0.1386 0.1260 798 ILE A CB 5909 C CG1 . ILE A 736 ? 0.5144 0.5923 0.8103 0.0061 -0.0467 0.1158 798 ILE A CG1 5910 C CG2 . ILE A 736 ? 0.4542 0.7436 0.7297 -0.0026 -0.0255 0.0242 798 ILE A CG2 5911 C CD1 . ILE A 736 ? 0.4710 0.6082 0.8160 0.0007 -0.0227 0.1223 798 ILE A CD1 5912 N N . ALA A 737 ? 0.5206 0.6436 0.8110 -0.0594 -0.0443 0.1041 799 ALA A N 5913 C CA . ALA A 737 ? 0.4771 0.6363 0.8023 -0.0205 -0.0453 0.0537 799 ALA A CA 5914 C C . ALA A 737 ? 0.4776 0.6812 0.8049 0.0019 -0.0574 0.0286 799 ALA A C 5915 O O . ALA A 737 ? 0.4305 0.8477 0.8412 0.0520 -0.1123 0.0784 799 ALA A O 5916 C CB . ALA A 737 ? 0.3985 0.6257 0.7937 -0.0701 -0.1203 0.0385 799 ALA A CB 5917 N N . GLN A 738 ? 0.5236 0.6976 0.8389 -0.0604 -0.0748 0.1371 800 GLN A N 5918 C CA . GLN A 738 ? 0.5510 0.7742 0.9709 -0.0082 -0.0736 0.1810 800 GLN A CA 5919 C C . GLN A 738 ? 0.5406 0.9882 1.0103 0.1065 -0.1578 0.1282 800 GLN A C 5920 O O . GLN A 738 ? 0.6334 0.7206 0.9528 0.0441 -0.2027 0.1993 800 GLN A O 5921 C CB . GLN A 738 ? 0.6184 0.8006 0.8945 0.1096 -0.1125 0.1195 800 GLN A CB 5922 C CG . GLN A 738 ? 0.4849 0.7093 0.9450 0.1454 -0.0314 0.0759 800 GLN A CG 5923 C CD . GLN A 738 ? 0.5559 0.6723 1.0224 0.0757 -0.1448 0.2165 800 GLN A CD 5924 O OE1 . GLN A 738 ? 0.5902 0.6569 1.0651 0.1605 -0.2121 0.1009 800 GLN A OE1 5925 N NE2 . GLN A 738 ? 0.5915 0.7056 1.0216 0.0303 -0.1439 0.0666 800 GLN A NE2 5926 N N . GLY A 739 ? 0.4414 0.9350 1.0426 0.0836 -0.2323 0.1464 801 GLY A N 5927 C CA . GLY A 739 ? 0.6215 0.7716 1.0790 0.0695 -0.2039 0.1614 801 GLY A CA 5928 C C . GLY A 739 ? 0.7805 0.8418 1.0123 -0.0712 -0.1749 0.1426 801 GLY A C 5929 O O . GLY A 739 ? 0.8225 0.8611 1.0488 -0.1462 -0.3181 0.1663 801 GLY A O 5930 N N . GLY A 740 ? 0.7675 0.9686 0.9439 -0.0716 -0.2284 0.1341 802 GLY A N 5931 C CA . GLY A 740 ? 0.5456 0.9685 0.7650 0.0707 -0.2639 0.1999 802 GLY A CA 5932 C C . GLY A 740 ? 0.5684 0.8059 0.9104 0.0540 -0.1970 0.1710 802 GLY A C 5933 O O . GLY A 740 ? 0.5873 0.7670 0.7441 0.0222 -0.1657 0.1472 802 GLY A O 5934 N N . GLN A 741 ? 0.6224 0.7808 0.8910 -0.0115 -0.1760 0.2309 803 GLN A N 5935 C CA . GLN A 741 ? 0.6590 0.7390 0.9348 -0.0532 -0.1270 0.1970 803 GLN A CA 5936 C C . GLN A 741 ? 0.6388 0.8436 0.8964 -0.0806 -0.0621 0.3148 803 GLN A C 5937 O O . GLN A 741 ? 0.6002 0.7921 0.8456 -0.0944 -0.2270 0.1932 803 GLN A O 5938 C CB . GLN A 741 ? 0.5554 0.8160 0.8479 -0.0492 -0.1307 0.2384 803 GLN A CB 5939 C CG . GLN A 741 ? 0.6752 0.9116 0.8511 0.0208 -0.1087 0.2467 803 GLN A CG 5940 C CD . GLN A 741 ? 0.6417 0.8942 0.9942 0.0630 -0.1554 0.1617 803 GLN A CD 5941 O OE1 . GLN A 741 ? 0.6818 1.1257 1.1532 -0.1100 -0.1686 0.1623 803 GLN A OE1 5942 N NE2 . GLN A 741 ? 0.7502 0.8668 1.0880 0.0571 -0.0183 0.1891 803 GLN A NE2 5943 N N . ASP A 742 ? 0.5885 0.8591 0.7826 -0.0364 -0.2187 0.2766 804 ASP A N 5944 C CA . ASP A 742 ? 0.7517 0.7500 0.7686 -0.0468 -0.1476 0.2603 804 ASP A CA 5945 C C . ASP A 742 ? 0.6204 0.7665 0.8707 -0.0544 -0.1409 0.2243 804 ASP A C 5946 O O . ASP A 742 ? 0.5818 0.8809 0.8680 -0.0771 -0.1811 0.3134 804 ASP A O 5947 C CB . ASP A 742 ? 0.6030 0.8330 0.8768 0.0272 -0.2311 0.2082 804 ASP A CB 5948 C CG . ASP A 742 ? 0.7214 0.9004 0.8629 0.0632 -0.2382 0.1900 804 ASP A CG 5949 O OD1 . ASP A 742 ? 0.6880 1.0032 0.9106 -0.0383 -0.1797 0.1586 804 ASP A OD1 5950 O OD2 . ASP A 742 ? 0.7658 0.8453 0.9305 0.0737 -0.2220 0.3901 804 ASP A OD2 5951 N N . GLN A 743 ? 0.6453 0.6612 0.8679 -0.0438 -0.1914 0.2172 805 GLN A N 5952 C CA . GLN A 743 ? 0.6399 0.7384 0.8109 0.0037 -0.1616 0.1757 805 GLN A CA 5953 C C . GLN A 743 ? 0.6384 0.7711 0.7248 0.0086 -0.1905 0.2057 805 GLN A C 5954 O O . GLN A 743 ? 0.5906 0.7644 0.7794 -0.0131 -0.1288 0.1867 805 GLN A O 5955 C CB . GLN A 743 ? 0.5451 0.6939 0.8587 -0.0878 -0.1359 0.2023 805 GLN A CB 5956 C CG . GLN A 743 ? 0.5140 0.7051 0.8087 -0.0496 -0.1074 0.2623 805 GLN A CG 5957 C CD . GLN A 743 ? 0.6187 0.7011 0.9558 0.0709 -0.1562 0.3071 805 GLN A CD 5958 O OE1 . GLN A 743 ? 0.4765 0.7739 1.0359 0.0489 -0.1327 0.2688 805 GLN A OE1 5959 N NE2 . GLN A 743 ? 0.6691 0.6531 1.0777 0.0852 -0.1941 0.2418 805 GLN A NE2 5960 N N . TRP A 744 ? 0.5741 0.7615 0.7985 0.0019 -0.1704 0.1855 806 TRP A N 5961 C CA . TRP A 744 ? 0.5870 0.7149 0.6969 0.0049 -0.1717 0.1558 806 TRP A CA 5962 C C . TRP A 744 ? 0.5951 0.6962 0.7706 -0.0413 -0.1670 0.1853 806 TRP A C 5963 O O . TRP A 744 ? 0.5743 0.7066 0.8009 -0.0612 -0.1336 0.2263 806 TRP A O 5964 C CB . TRP A 744 ? 0.4426 0.7401 0.6388 0.0050 -0.0575 0.1816 806 TRP A CB 5965 C CG . TRP A 744 ? 0.5031 0.7710 0.7083 -0.0005 -0.1497 0.1953 806 TRP A CG 5966 C CD1 . TRP A 744 ? 0.5276 0.7296 0.6849 -0.0108 -0.1149 0.1369 806 TRP A CD1 5967 C CD2 . TRP A 744 ? 0.5032 0.7215 0.6314 -0.0645 -0.1420 0.1693 806 TRP A CD2 5968 N NE1 . TRP A 744 ? 0.4692 0.7331 0.7176 -0.0288 -0.1404 0.1438 806 TRP A NE1 5969 C CE2 . TRP A 744 ? 0.5368 0.6453 0.6863 -0.0341 -0.1265 0.1476 806 TRP A CE2 5970 C CE3 . TRP A 744 ? 0.5934 0.7160 0.6506 0.0037 -0.1102 0.1221 806 TRP A CE3 5971 C CZ2 . TRP A 744 ? 0.6153 0.6843 0.6363 0.0057 -0.0569 0.1315 806 TRP A CZ2 5972 C CZ3 . TRP A 744 ? 0.5058 0.6590 0.6769 -0.0326 -0.0804 0.1877 806 TRP A CZ3 5973 C CH2 . TRP A 744 ? 0.5567 0.6653 0.5942 -0.1057 -0.0847 0.1717 806 TRP A CH2 5974 N N . ASP A 745 ? 0.5616 0.6577 0.7886 0.0356 -0.1504 0.2014 807 ASP A N 5975 C CA . ASP A 745 ? 0.6424 0.7988 0.7297 -0.0407 -0.1049 0.2551 807 ASP A CA 5976 C C . ASP A 745 ? 0.6638 0.7011 0.7700 -0.0380 -0.0677 0.2518 807 ASP A C 5977 O O . ASP A 745 ? 0.5679 0.8122 0.9475 -0.1111 -0.1303 0.1315 807 ASP A O 5978 C CB . ASP A 745 ? 0.5753 0.8320 0.8055 0.0042 -0.1903 0.2510 807 ASP A CB 5979 C CG . ASP A 745 ? 0.6828 0.8269 0.7251 0.0615 -0.1425 0.1336 807 ASP A CG 5980 O OD1 . ASP A 745 ? 0.5988 0.8901 0.7004 -0.0719 -0.0186 0.2067 807 ASP A OD1 5981 O OD2 . ASP A 745 ? 0.7063 0.7416 0.6764 0.0289 -0.0930 0.1726 807 ASP A OD2 5982 N N . PHE A 746 ? 0.6146 0.8359 0.6833 -0.0427 0.0551 0.2193 808 PHE A N 5983 C CA . PHE A 746 ? 0.6547 0.8192 0.8579 -0.0119 -0.0760 0.2223 808 PHE A CA 5984 C C . PHE A 746 ? 0.6672 0.7376 0.8061 -0.0698 -0.0880 0.1829 808 PHE A C 5985 O O . PHE A 746 ? 0.6632 0.5512 0.8703 -0.0651 -0.1045 0.1418 808 PHE A O 5986 C CB . PHE A 746 ? 0.6227 0.7214 0.9429 -0.0746 -0.0389 0.2783 808 PHE A CB 5987 C CG . PHE A 746 ? 0.6299 0.8016 0.8707 -0.0480 -0.0909 0.2677 808 PHE A CG 5988 C CD1 . PHE A 746 ? 0.6664 0.6779 0.9876 -0.0506 -0.1128 0.2678 808 PHE A CD1 5989 C CD2 . PHE A 746 ? 0.6250 0.7854 0.8627 0.0016 -0.0846 0.1840 808 PHE A CD2 5990 C CE1 . PHE A 746 ? 0.6756 0.6671 0.8883 0.0351 -0.1089 0.1566 808 PHE A CE1 5991 C CE2 . PHE A 746 ? 0.7296 0.5675 0.8032 0.0345 -0.0964 0.2529 808 PHE A CE2 5992 C CZ . PHE A 746 ? 0.6264 0.6436 0.8629 -0.0311 -0.0336 0.1445 808 PHE A CZ 5993 N N . ALA A 747 ? 0.5330 0.6251 0.7871 -0.0323 -0.0403 0.1127 809 ALA A N 5994 C CA . ALA A 747 ? 0.6129 0.7163 0.7268 0.0174 -0.0384 0.0883 809 ALA A CA 5995 C C . ALA A 747 ? 0.6044 0.7416 0.7589 0.0169 -0.1060 0.0890 809 ALA A C 5996 O O . ALA A 747 ? 0.5500 0.7530 0.6849 -0.0356 -0.0580 0.1339 809 ALA A O 5997 C CB . ALA A 747 ? 0.4858 0.5861 0.7849 -0.0880 -0.0993 0.0335 809 ALA A CB 5998 N N . TRP A 748 ? 0.4918 0.7505 0.7666 -0.1009 -0.0517 0.1098 810 TRP A N 5999 C CA . TRP A 748 ? 0.5171 0.8249 0.6893 -0.0755 -0.0753 0.0838 810 TRP A CA 6000 C C . TRP A 748 ? 0.5398 0.7990 0.6817 -0.0467 -0.0664 0.1409 810 TRP A C 6001 O O . TRP A 748 ? 0.4487 0.7984 0.6879 -0.0576 0.0687 0.0950 810 TRP A O 6002 C CB . TRP A 748 ? 0.3347 0.8529 0.7099 -0.0266 -0.1047 0.1491 810 TRP A CB 6003 C CG . TRP A 748 ? 0.3898 0.7963 0.7296 -0.0457 -0.0407 0.1617 810 TRP A CG 6004 C CD1 . TRP A 748 ? 0.6785 0.8637 0.7661 -0.0465 -0.0158 0.1325 810 TRP A CD1 6005 C CD2 . TRP A 748 ? 0.6478 0.8209 0.6464 -0.0362 -0.0506 0.1600 810 TRP A CD2 6006 N NE1 . TRP A 748 ? 0.7342 0.8398 0.7189 -0.0575 -0.0146 0.1198 810 TRP A NE1 6007 C CE2 . TRP A 748 ? 0.6570 0.7964 0.7205 -0.0687 -0.0972 0.1142 810 TRP A CE2 6008 C CE3 . TRP A 748 ? 0.4053 0.8110 0.6332 -0.0010 -0.0975 0.1636 810 TRP A CE3 6009 C CZ2 . TRP A 748 ? 0.6176 0.8493 0.6509 -0.0368 -0.1335 0.1987 810 TRP A CZ2 6010 C CZ3 . TRP A 748 ? 0.5813 0.7674 0.6453 -0.0513 -0.0824 0.1244 810 TRP A CZ3 6011 C CH2 . TRP A 748 ? 0.6889 0.7692 0.6327 -0.0060 -0.0854 0.1754 810 TRP A CH2 6012 N N . GLY A 749 ? 0.5403 0.8095 0.7062 -0.1027 -0.1202 0.1766 811 GLY A N 6013 C CA . GLY A 749 ? 0.5390 0.8432 0.8072 -0.0807 -0.0398 0.1135 811 GLY A CA 6014 C C . GLY A 749 ? 0.5919 0.8163 0.7354 -0.0781 -0.0423 0.1732 811 GLY A C 6015 O O . GLY A 749 ? 0.5640 0.8041 0.7578 -0.1605 -0.0146 0.1121 811 GLY A O 6016 N N . GLN A 750 ? 0.4348 0.8091 0.8057 -0.1458 0.0293 0.1493 812 GLN A N 6017 C CA . GLN A 750 ? 0.5020 0.8358 0.8616 -0.0764 -0.0295 0.1501 812 GLN A CA 6018 C C . GLN A 750 ? 0.5088 0.7880 0.7929 -0.0865 -0.0041 0.1219 812 GLN A C 6019 O O . GLN A 750 ? 0.5422 0.7553 0.8564 -0.2119 -0.0919 0.0882 812 GLN A O 6020 C CB . GLN A 750 ? 0.5766 0.7312 0.8282 -0.0774 -0.0923 0.0829 812 GLN A CB 6021 C CG . GLN A 750 ? 0.6847 0.7383 0.8176 -0.1150 -0.1139 0.1576 812 GLN A CG 6022 C CD . GLN A 750 ? 0.5923 0.8075 0.9156 -0.0170 -0.0864 0.2194 812 GLN A CD 6023 O OE1 . GLN A 750 ? 0.5074 0.8067 1.0131 -0.0540 -0.0376 0.0797 812 GLN A OE1 6024 N NE2 . GLN A 750 ? 0.5669 0.8303 0.8758 -0.1662 0.0707 0.2397 812 GLN A NE2 6025 N N . LEU A 751 ? 0.5779 0.7292 0.6849 -0.1003 -0.0729 0.1201 813 LEU A N 6026 C CA . LEU A 751 ? 0.5085 0.7666 0.7938 -0.0475 -0.0692 0.0820 813 LEU A CA 6027 C C . LEU A 751 ? 0.5536 0.8555 0.7442 -0.0057 -0.0733 0.1073 813 LEU A C 6028 O O . LEU A 751 ? 0.4876 0.8449 0.9247 -0.0264 -0.0415 0.1727 813 LEU A O 6029 C CB . LEU A 751 ? 0.5396 0.7954 0.7466 -0.0951 -0.0808 0.0996 813 LEU A CB 6030 C CG . LEU A 751 ? 0.4781 0.7490 0.6781 -0.0650 -0.0919 0.0116 813 LEU A CG 6031 C CD1 . LEU A 751 ? 0.4433 0.7345 0.6643 -0.1066 -0.0762 0.0496 813 LEU A CD1 6032 C CD2 . LEU A 751 ? 0.4511 0.7297 0.7407 -0.0317 -0.0286 0.0888 813 LEU A CD2 6033 N N . GLN A 752 ? 0.5752 0.8680 0.7515 -0.1188 -0.0676 0.0320 814 GLN A N 6034 C CA . GLN A 752 ? 0.6563 0.8882 0.8281 -0.0659 -0.0534 -0.0401 814 GLN A CA 6035 C C . GLN A 752 ? 0.6104 0.9038 0.9692 -0.0096 0.0812 -0.0583 814 GLN A C 6036 O O . GLN A 752 ? 0.5750 0.9353 0.9105 0.0531 0.0421 0.1063 814 GLN A O 6037 C CB . GLN A 752 ? 0.5825 0.9324 0.8131 -0.0507 -0.0386 0.0266 814 GLN A CB 6038 C CG . GLN A 752 ? 0.6593 0.9088 0.8588 -0.0732 0.0155 0.0580 814 GLN A CG 6039 C CD . GLN A 752 ? 0.6316 0.9615 0.7806 -0.0110 0.0615 0.0764 814 GLN A CD 6040 O OE1 . GLN A 752 ? 0.5728 1.0967 0.7364 -0.0325 0.0040 0.0422 814 GLN A OE1 6041 N NE2 . GLN A 752 ? 0.6792 1.0201 0.7775 -0.0056 0.1406 0.0604 814 GLN A NE2 6042 N N . GLN A 753 ? 0.6544 0.9655 0.9637 -0.1566 0.0214 -0.0907 815 GLN A N 6043 C CA . GLN A 753 ? 0.6338 0.9701 0.8403 -0.1362 0.0090 0.1297 815 GLN A CA 6044 C C . GLN A 753 ? 0.4738 0.9425 0.8994 -0.0976 -0.0008 0.0665 815 GLN A C 6045 O O . GLN A 753 ? 0.6497 0.8626 1.0901 -0.2871 0.1248 0.1642 815 GLN A O 6046 C CB . GLN A 753 ? 0.7531 0.9847 0.9549 0.0338 0.1127 0.1395 815 GLN A CB 6047 C CG . GLN A 753 ? 0.6332 0.9628 1.0887 0.0814 0.0679 0.1362 815 GLN A CG 6048 C CD . GLN A 753 ? 1.0169 0.9726 1.0392 -0.1118 -0.0756 0.2466 815 GLN A CD 6049 O OE1 . GLN A 753 ? 1.2513 1.2101 0.8317 -0.1839 0.1170 0.0369 815 GLN A OE1 6050 N NE2 . GLN A 753 ? 1.1190 1.0647 1.3367 -0.2212 0.0450 0.0799 815 GLN A NE2 6051 N N . ALA A 754 ? 0.4964 1.0212 0.8377 -0.1252 -0.0344 0.0448 816 ALA A N 6052 C CA . ALA A 754 ? 0.5477 0.8955 0.8352 -0.0269 -0.0534 0.0455 816 ALA A CA 6053 C C . ALA A 754 ? 0.4961 0.7528 0.8941 -0.1278 -0.1033 -0.0297 816 ALA A C 6054 O O . ALA A 754 ? 0.5073 0.9066 0.9014 -0.0281 -0.0719 -0.0893 816 ALA A O 6055 C CB . ALA A 754 ? 0.6142 0.8397 0.8894 -0.0165 0.0452 0.0089 816 ALA A CB 6056 N N . GLN A 755 ? 0.4455 0.8709 0.8781 -0.1437 -0.0586 -0.0979 817 GLN A N 6057 C CA . GLN A 755 ? 0.6015 0.8863 0.8635 0.0173 -0.0456 0.0328 817 GLN A CA 6058 C C . GLN A 755 ? 0.6069 0.9976 0.8162 0.1367 -0.0040 0.0309 817 GLN A C 6059 O O . GLN A 755 ? 0.5173 0.9569 0.9373 0.1026 -0.0087 -0.0902 817 GLN A O 6060 C CB . GLN A 755 ? 0.5945 1.0601 0.9970 -0.0490 0.0629 0.0614 817 GLN A CB 6061 C CG . GLN A 755 ? 0.6879 1.2780 0.9512 0.0084 0.1029 0.0417 817 GLN A CG 6062 C CD . GLN A 755 ? 0.6906 1.4795 0.9252 0.0948 -0.0884 -0.0976 817 GLN A CD 6063 O OE1 . GLN A 755 ? 0.7044 1.4319 1.1769 -0.0713 0.0079 0.1376 817 GLN A OE1 6064 N NE2 . GLN A 755 ? 0.6967 1.3628 1.1402 -0.2334 0.0375 -0.0627 817 GLN A NE2 6065 N N . LEU A 756 ? 0.4400 0.8259 0.8224 0.0501 -0.0450 0.0615 818 LEU A N 6066 C CA . LEU A 756 ? 0.4722 0.8237 0.7929 -0.0046 0.0000 -0.0694 818 LEU A CA 6067 C C . LEU A 756 ? 0.5040 0.7751 0.8556 -0.0094 -0.1363 0.0548 818 LEU A C 6068 O O . LEU A 756 ? 0.4559 0.8854 0.7954 -0.0846 -0.0701 -0.0361 818 LEU A O 6069 C CB . LEU A 756 ? 0.5852 0.8961 0.8782 -0.0991 -0.0259 -0.1599 818 LEU A CB 6070 C CG . LEU A 756 ? 0.5981 0.8844 0.8984 -0.0028 0.0678 -0.0718 818 LEU A CG 6071 C CD1 . LEU A 756 ? 0.7476 0.9724 0.8750 0.0306 0.1559 -0.1110 818 LEU A CD1 6072 C CD2 . LEU A 756 ? 0.6254 0.9599 0.7637 -0.0464 -0.0636 -0.0091 818 LEU A CD2 6073 N N . VAL A 757 ? 0.5348 0.8202 0.8965 0.0943 -0.1271 0.0312 819 VAL A N 6074 C CA . VAL A 757 ? 0.5839 0.8193 0.8174 0.1036 -0.0787 -0.0020 819 VAL A CA 6075 C C . VAL A 757 ? 0.4778 0.7363 0.7851 0.1661 -0.2152 -0.0474 819 VAL A C 6076 O O . VAL A 757 ? 0.5156 0.8326 0.8583 0.0815 -0.1561 -0.0795 819 VAL A O 6077 C CB . VAL A 757 ? 0.5145 0.7292 0.9853 0.1423 -0.0272 -0.0232 819 VAL A CB 6078 C CG1 . VAL A 757 ? 0.5136 0.8396 0.8863 0.0438 -0.1197 0.0045 819 VAL A CG1 6079 C CG2 . VAL A 757 ? 0.6428 0.7925 0.9185 0.1801 0.0600 -0.0878 819 VAL A CG2 6080 N N . ASN A 758 ? 0.4387 0.7328 0.7721 0.1395 -0.1183 -0.0713 820 ASN A N 6081 C CA . ASN A 758 ? 0.4826 0.7046 0.7091 0.0910 -0.0665 -0.0524 820 ASN A CA 6082 C C . ASN A 758 ? 0.4952 0.6478 0.7439 0.0189 -0.1207 -0.0403 820 ASN A C 6083 O O . ASN A 758 ? 0.5253 0.7915 0.7176 0.0527 -0.0398 0.1255 820 ASN A O 6084 C CB . ASN A 758 ? 0.4587 0.7673 0.8191 0.0242 -0.1094 -0.0871 820 ASN A CB 6085 C CG . ASN A 758 ? 0.4620 0.6829 0.8493 -0.0290 -0.1016 -0.1460 820 ASN A CG 6086 O OD1 . ASN A 758 ? 0.6508 0.6924 1.0531 -0.0607 0.0175 -0.0731 820 ASN A OD1 6087 N ND2 . ASN A 758 ? 0.7129 0.7949 0.6532 -0.0700 -0.1739 -0.0560 820 ASN A ND2 6088 N N . GLU A 759 ? 0.4385 0.7258 0.7722 -0.0042 -0.0505 -0.0682 821 GLU A N 6089 C CA . GLU A 759 ? 0.5022 0.6800 0.7440 -0.0122 -0.0417 0.0054 821 GLU A CA 6090 C C . GLU A 759 ? 0.4573 0.6795 0.7133 0.0660 -0.0783 -0.0138 821 GLU A C 6091 O O . GLU A 759 ? 0.4688 0.7209 0.7722 -0.0265 -0.1603 0.1952 821 GLU A O 6092 C CB . GLU A 759 ? 0.4680 0.6983 0.7543 0.0074 -0.0190 0.0116 821 GLU A CB 6093 C CG . GLU A 759 ? 0.4761 0.7013 0.7577 -0.0165 -0.0499 0.0197 821 GLU A CG 6094 C CD . GLU A 759 ? 0.5014 0.6060 0.8139 -0.0386 -0.0904 0.0110 821 GLU A CD 6095 O OE1 . GLU A 759 ? 0.5876 0.6076 0.8118 -0.0013 -0.1295 0.0734 821 GLU A OE1 6096 O OE2 . GLU A 759 ? 0.5086 0.5926 0.8259 -0.1217 -0.1622 -0.0064 821 GLU A OE2 6097 N N . ALA A 760 ? 0.4881 0.5921 0.6774 -0.0289 -0.0239 -0.0183 822 ALA A N 6098 C CA . ALA A 760 ? 0.4665 0.7251 0.6202 -0.0043 -0.0617 -0.0681 822 ALA A CA 6099 C C . ALA A 760 ? 0.5294 0.7243 0.6271 -0.0410 -0.0931 -0.0342 822 ALA A C 6100 O O . ALA A 760 ? 0.3906 0.6958 0.6920 -0.0122 -0.0065 0.0489 822 ALA A O 6101 C CB . ALA A 760 ? 0.4482 0.5772 0.7571 -0.0174 -0.0255 0.0226 822 ALA A CB 6102 N N . ASP A 761 ? 0.5337 0.7585 0.6936 0.0485 -0.1015 0.0243 823 ASP A N 6103 C CA . ASP A 761 ? 0.5642 0.5995 0.6560 0.0625 -0.0969 -0.0120 823 ASP A CA 6104 C C . ASP A 761 ? 0.4748 0.6405 0.6996 0.0202 -0.1057 -0.0464 823 ASP A C 6105 O O . ASP A 761 ? 0.4530 0.6666 0.7763 0.0438 -0.0755 0.0043 823 ASP A O 6106 C CB . ASP A 761 ? 0.5139 0.6974 0.7277 0.0207 -0.1874 -0.0612 823 ASP A CB 6107 C CG . ASP A 761 ? 0.5945 0.7572 0.6965 0.0634 -0.1403 -0.1315 823 ASP A CG 6108 O OD1 . ASP A 761 ? 0.6740 0.6579 0.7565 0.1815 -0.0405 -0.0946 823 ASP A OD1 6109 O OD2 . ASP A 761 ? 0.5027 0.8460 0.7233 0.1449 -0.0958 -0.0469 823 ASP A OD2 6110 N N . LYS A 762 ? 0.4664 0.5446 0.6678 -0.0053 0.0181 0.0581 824 LYS A N 6111 C CA . LYS A 762 ? 0.4810 0.6469 0.6718 0.0206 -0.0509 -0.0089 824 LYS A CA 6112 C C . LYS A 762 ? 0.4772 0.6763 0.7191 -0.0110 -0.0877 -0.0123 824 LYS A C 6113 O O . LYS A 762 ? 0.4483 0.7274 0.7814 -0.0048 -0.0549 0.0239 824 LYS A O 6114 C CB . LYS A 762 ? 0.5189 0.6046 0.7567 -0.0541 -0.0416 0.0322 824 LYS A CB 6115 C CG . LYS A 762 ? 0.5417 0.6311 0.7563 -0.0190 -0.0053 -0.0688 824 LYS A CG 6116 C CD . LYS A 762 ? 0.5585 0.6574 0.7664 -0.0740 -0.0430 -0.0531 824 LYS A CD 6117 C CE . LYS A 762 ? 0.6686 0.5857 0.6628 -0.0510 -0.0494 -0.0230 824 LYS A CE 6118 N NZ . LYS A 762 ? 0.5482 0.5276 0.8054 -0.0123 -0.0218 -0.0180 824 LYS A NZ 6119 N N . LEU A 763 ? 0.4174 0.5786 0.7253 0.0566 -0.0613 -0.0235 825 LEU A N 6120 C CA . LEU A 763 ? 0.5131 0.5704 0.6918 -0.0240 -0.0765 -0.0113 825 LEU A CA 6121 C C . LEU A 763 ? 0.4660 0.5900 0.7467 -0.0287 -0.0805 -0.0246 825 LEU A C 6122 O O . LEU A 763 ? 0.4512 0.5704 0.7390 -0.0315 -0.0634 0.0774 825 LEU A O 6123 C CB . LEU A 763 ? 0.5280 0.5966 0.7001 0.0412 -0.0885 0.0614 825 LEU A CB 6124 C CG . LEU A 763 ? 0.5442 0.6597 0.7623 -0.0364 -0.0601 0.0851 825 LEU A CG 6125 C CD1 . LEU A 763 ? 0.4900 0.6851 0.7653 -0.0356 -0.0561 -0.0478 825 LEU A CD1 6126 C CD2 . LEU A 763 ? 0.5266 0.6081 0.7431 -0.0366 -0.0467 0.0941 825 LEU A CD2 6127 N N . ARG A 764 ? 0.5317 0.6001 0.6965 -0.0043 -0.0344 -0.0012 826 ARG A N 6128 C CA . ARG A 764 ? 0.5398 0.5932 0.6479 -0.0199 -0.0657 0.0406 826 ARG A CA 6129 C C . ARG A 764 ? 0.4504 0.5317 0.6560 -0.0097 -0.0953 -0.0462 826 ARG A C 6130 O O . ARG A 764 ? 0.4032 0.6811 0.6878 -0.0375 -0.1303 0.0706 826 ARG A O 6131 C CB . ARG A 764 ? 0.5350 0.6897 0.6480 0.0326 -0.0786 0.0406 826 ARG A CB 6132 C CG . ARG A 764 ? 0.6573 0.7093 0.6485 0.0285 -0.0336 0.0470 826 ARG A CG 6133 C CD . ARG A 764 ? 0.5714 0.7231 0.5948 0.0338 -0.0714 0.0266 826 ARG A CD 6134 N NE . ARG A 764 ? 0.5409 0.7310 0.6789 0.0131 -0.1024 0.0307 826 ARG A NE 6135 C CZ . ARG A 764 ? 0.5706 0.7800 0.7090 -0.0457 -0.1374 0.0373 826 ARG A CZ 6136 N NH1 . ARG A 764 ? 0.4720 0.7044 0.8531 0.0859 -0.0799 0.1131 826 ARG A NH1 6137 N NH2 . ARG A 764 ? 0.7027 0.7167 0.7122 0.0164 -0.1981 0.0296 826 ARG A NH2 6138 N N . SER A 765 ? 0.4620 0.6320 0.6511 0.0276 -0.0910 -0.0125 827 SER A N 6139 C CA . SER A 765 ? 0.5043 0.6133 0.6879 0.0108 -0.0508 0.0342 827 SER A CA 6140 C C . SER A 765 ? 0.4486 0.6327 0.7325 -0.0325 -0.1397 0.0123 827 SER A C 6141 O O . SER A 765 ? 0.4363 0.6242 0.7113 -0.0031 -0.0684 0.0228 827 SER A O 6142 C CB . SER A 765 ? 0.4505 0.8079 0.7171 -0.0103 -0.0595 0.0342 827 SER A CB 6143 O OG . SER A 765 ? 0.6366 0.8161 0.7812 0.0958 0.0387 -0.0648 827 SER A OG 6144 N N . ALA A 766 ? 0.4434 0.6729 0.7411 0.0535 -0.1178 0.0595 828 ALA A N 6145 C CA . ALA A 766 ? 0.5077 0.5256 0.7073 0.0425 -0.0756 0.0599 828 ALA A CA 6146 C C . ALA A 766 ? 0.4423 0.5298 0.7264 0.0318 -0.0855 0.0885 828 ALA A C 6147 O O . ALA A 766 ? 0.4708 0.5758 0.7424 0.0826 -0.0685 0.1366 828 ALA A O 6148 C CB . ALA A 766 ? 0.4060 0.5807 0.6877 -0.0172 -0.0522 0.0240 828 ALA A CB 6149 N N . LEU A 767 ? 0.4196 0.5707 0.6845 -0.0274 -0.0628 0.1030 829 LEU A N 6150 C CA . LEU A 767 ? 0.4418 0.5455 0.7236 -0.0345 -0.0974 0.0798 829 LEU A CA 6151 C C . LEU A 767 ? 0.4174 0.6608 0.6990 -0.0683 -0.0972 0.0938 829 LEU A C 6152 O O . LEU A 767 ? 0.4411 0.5613 0.6642 -0.0741 -0.1141 0.0706 829 LEU A O 6153 C CB . LEU A 767 ? 0.4329 0.6683 0.6636 -0.0299 -0.1048 0.1265 829 LEU A CB 6154 C CG . LEU A 767 ? 0.5021 0.5689 0.6720 -0.0015 -0.0458 0.0467 829 LEU A CG 6155 C CD1 . LEU A 767 ? 0.4377 0.6500 0.6782 -0.0063 -0.0720 0.0828 829 LEU A CD1 6156 C CD2 . LEU A 767 ? 0.5805 0.6220 0.6755 0.0010 0.0469 0.2032 829 LEU A CD2 6157 N N . ALA A 768 ? 0.4175 0.6238 0.7050 0.0015 -0.0812 0.0432 830 ALA A N 6158 C CA . ALA A 768 ? 0.4839 0.6156 0.6465 0.0051 -0.0415 0.0968 830 ALA A CA 6159 C C . ALA A 768 ? 0.5045 0.6125 0.6739 -0.0389 -0.0044 0.0252 830 ALA A C 6160 O O . ALA A 768 ? 0.4724 0.6581 0.6597 -0.0435 -0.1105 0.0602 830 ALA A O 6161 C CB . ALA A 768 ? 0.3283 0.6594 0.6775 -0.0023 -0.0955 0.0879 830 ALA A CB 6162 N N . CYS A 769 ? 0.4079 0.5933 0.7306 -0.0345 -0.0640 0.0233 831 CYS A N 6163 C CA . CYS A 769 ? 0.3970 0.6098 0.7249 0.0314 -0.1196 0.0607 831 CYS A CA 6164 C C . CYS A 769 ? 0.5135 0.6430 0.7502 0.0573 -0.1639 0.0990 831 CYS A C 6165 O O . CYS A 769 ? 0.4444 0.6727 0.7906 -0.0826 -0.0301 0.0806 831 CYS A O 6166 C CB . CYS A 769 ? 0.3816 0.6617 0.7802 0.0009 -0.1034 0.0296 831 CYS A CB 6167 S SG . CYS A 769 ? 0.4960 0.7088 0.7591 0.0148 -0.0944 0.0372 831 CYS A SG 6168 N N . SER A 770 ? 0.4288 0.6158 0.7063 0.0006 -0.0289 0.1478 832 SER A N 6169 C CA . SER A 770 ? 0.5042 0.6780 0.6626 -0.0135 -0.0859 0.1011 832 SER A CA 6170 C C . SER A 770 ? 0.4734 0.6437 0.6780 -0.0450 -0.1613 0.0112 832 SER A C 6171 O O . SER A 770 ? 0.4464 0.5930 0.6847 0.0238 -0.1146 -0.0187 832 SER A O 6172 C CB . SER A 770 ? 0.4645 0.6630 0.7125 0.0114 -0.0957 0.0057 832 SER A CB 6173 O OG . SER A 770 ? 0.5281 0.7610 0.6979 -0.0294 -0.1163 0.0694 832 SER A OG 6174 N N . ASN A 771 ? 0.5054 0.6529 0.7123 -0.0031 -0.1596 0.0109 833 ASN A N 6175 C CA . ASN A 771 ? 0.5218 0.7321 0.7511 -0.0403 -0.1038 0.0364 833 ASN A CA 6176 C C . ASN A 771 ? 0.5371 0.6314 0.7369 0.0164 -0.1381 0.1030 833 ASN A C 6177 O O . ASN A 771 ? 0.5333 0.7084 0.7439 0.0685 -0.1143 0.0608 833 ASN A O 6178 C CB . ASN A 771 ? 0.4180 0.6791 0.8466 -0.0602 -0.1327 0.0404 833 ASN A CB 6179 C CG . ASN A 771 ? 0.5890 0.6834 0.7672 0.0308 0.0089 0.0845 833 ASN A CG 6180 O OD1 . ASN A 771 ? 0.5618 0.7661 0.8713 0.0709 -0.0083 0.1023 833 ASN A OD1 6181 N ND2 . ASN A 771 ? 0.5869 0.7369 0.8566 0.1408 -0.0571 0.0625 833 ASN A ND2 6182 N N . GLU A 772 ? 0.5243 0.5776 0.7308 -0.0116 -0.1037 0.1074 834 GLU A N 6183 C CA . GLU A 772 ? 0.4887 0.7668 0.7652 -0.0324 -0.1329 0.0941 834 GLU A CA 6184 C C . GLU A 772 ? 0.4411 0.7524 0.7903 -0.0128 -0.1797 0.1029 834 GLU A C 6185 O O . GLU A 772 ? 0.4437 0.7113 0.7869 0.0543 -0.1659 0.1101 834 GLU A O 6186 C CB . GLU A 772 ? 0.6317 0.7997 0.7563 -0.0666 -0.1727 0.1592 834 GLU A CB 6187 C CG . GLU A 772 ? 0.5382 0.8456 0.7814 -0.0042 -0.1616 0.1461 834 GLU A CG 6188 C CD . GLU A 772 ? 0.6999 0.9620 1.0400 0.0595 -0.3805 0.1302 834 GLU A CD 6189 O OE1 . GLU A 772 ? 0.7866 1.0792 1.2174 0.2390 -0.3357 0.0919 834 GLU A OE1 6190 O OE2 . GLU A 772 ? 0.5868 1.1671 1.0856 -0.0570 -0.2686 0.1230 834 GLU A OE2 6191 N N . VAL A 773 ? 0.4251 0.7563 0.6640 -0.0271 -0.1178 0.1377 835 VAL A N 6192 C CA . VAL A 773 ? 0.4636 0.7894 0.7813 0.0048 -0.1203 -0.0046 835 VAL A CA 6193 C C . VAL A 773 ? 0.4596 0.6928 0.7028 -0.1181 -0.1397 0.0382 835 VAL A C 6194 O O . VAL A 773 ? 0.4032 0.7335 0.6992 -0.1144 -0.0252 0.0830 835 VAL A O 6195 C CB . VAL A 773 ? 0.5096 0.7455 0.7916 -0.0292 -0.1045 0.0371 835 VAL A CB 6196 C CG1 . VAL A 773 ? 0.3966 0.7887 0.5722 -0.1279 -0.1238 0.0325 835 VAL A CG1 6197 C CG2 . VAL A 773 ? 0.4933 0.6716 0.6708 -0.1414 -0.1954 -0.0096 835 VAL A CG2 6198 N N . TRP A 774 ? 0.4493 0.7284 0.7340 -0.0717 -0.1703 0.0472 836 TRP A N 6199 C CA . TRP A 774 ? 0.5328 0.7726 0.7621 -0.0134 -0.1556 0.0136 836 TRP A CA 6200 C C . TRP A 774 ? 0.5974 0.8151 0.7742 -0.0885 -0.1854 -0.0242 836 TRP A C 6201 O O . TRP A 774 ? 0.5495 0.8688 0.7518 -0.1396 -0.1131 0.0000 836 TRP A O 6202 C CB . TRP A 774 ? 0.4949 0.8677 0.7507 -0.1168 -0.2199 0.0164 836 TRP A CB 6203 C CG . TRP A 774 ? 0.5275 0.8345 0.7710 -0.0427 -0.1834 0.1413 836 TRP A CG 6204 C CD1 . TRP A 774 ? 0.5646 0.9707 0.7428 -0.0877 -0.1428 0.0248 836 TRP A CD1 6205 C CD2 . TRP A 774 ? 0.5818 0.8907 0.7047 -0.0828 -0.1483 0.0607 836 TRP A CD2 6206 N NE1 . TRP A 774 ? 0.5058 0.9742 0.7092 -0.0416 -0.2278 0.1350 836 TRP A NE1 6207 C CE2 . TRP A 774 ? 0.5625 0.9093 0.7291 -0.0715 -0.1762 0.1367 836 TRP A CE2 6208 C CE3 . TRP A 774 ? 0.5571 0.8160 0.7557 0.0141 -0.2021 0.1100 836 TRP A CE3 6209 C CZ2 . TRP A 774 ? 0.4839 0.7195 0.7348 -0.0317 -0.2828 0.0878 836 TRP A CZ2 6210 C CZ3 . TRP A 774 ? 0.5898 0.8593 0.7054 -0.0400 -0.1981 0.0601 836 TRP A CZ3 6211 C CH2 . TRP A 774 ? 0.5615 0.8356 0.7640 -0.1801 -0.0621 0.1217 836 TRP A CH2 6212 N N . LEU A 775 ? 0.5532 0.7562 0.6124 -0.1173 -0.1993 0.0706 837 LEU A N 6213 C CA . LEU A 775 ? 0.4885 0.7791 0.7077 -0.0267 -0.1738 0.0630 837 LEU A CA 6214 C C . LEU A 775 ? 0.5519 0.6363 0.6225 -0.0632 -0.1398 0.0257 837 LEU A C 6215 O O . LEU A 775 ? 0.5640 0.7178 0.6641 -0.0582 -0.1130 0.0679 837 LEU A O 6216 C CB . LEU A 775 ? 0.4783 0.7732 0.7270 -0.0383 -0.0933 0.0985 837 LEU A CB 6217 C CG . LEU A 775 ? 0.6065 0.8412 0.6324 -0.0361 -0.1363 0.0881 837 LEU A CG 6218 C CD1 . LEU A 775 ? 0.5085 0.7159 0.7645 -0.0089 -0.1671 0.1093 837 LEU A CD1 6219 C CD2 . LEU A 775 ? 0.5333 0.7887 0.6835 -0.0040 -0.1141 0.0922 837 LEU A CD2 6220 N N . LEU A 776 ? 0.4777 0.6436 0.6610 -0.0255 -0.1068 0.0174 838 LEU A N 6221 C CA . LEU A 776 ? 0.4925 0.7211 0.6627 0.0178 -0.1458 0.0287 838 LEU A CA 6222 C C . LEU A 776 ? 0.5315 0.6857 0.6725 0.0135 -0.1920 0.0210 838 LEU A C 6223 O O . LEU A 776 ? 0.4902 0.6626 0.6902 0.0267 -0.1400 0.0119 838 LEU A O 6224 C CB . LEU A 776 ? 0.4681 0.6554 0.6906 -0.0301 -0.1433 0.0729 838 LEU A CB 6225 C CG . LEU A 776 ? 0.3963 0.6905 0.6794 -0.0129 -0.1092 0.0681 838 LEU A CG 6226 C CD1 . LEU A 776 ? 0.4297 0.6433 0.7704 -0.0046 -0.0571 0.0834 838 LEU A CD1 6227 C CD2 . LEU A 776 ? 0.4252 0.6223 0.6141 -0.0204 -0.0728 -0.0363 838 LEU A CD2 6228 N N . ASN A 777 ? 0.4460 0.6978 0.6363 -0.0171 -0.1480 0.0599 839 ASN A N 6229 C CA . ASN A 777 ? 0.5568 0.7257 0.6316 -0.0778 -0.1006 0.0345 839 ASN A CA 6230 C C . ASN A 777 ? 0.4974 0.7548 0.7463 -0.0248 -0.0537 0.0106 839 ASN A C 6231 O O . ASN A 777 ? 0.5996 0.7165 0.7764 0.0244 -0.0491 0.0566 839 ASN A O 6232 C CB . ASN A 777 ? 0.5093 0.6575 0.6787 0.0777 -0.1686 0.0424 839 ASN A CB 6233 C CG . ASN A 777 ? 0.5313 0.7654 0.6661 0.0033 -0.1158 -0.0068 839 ASN A CG 6234 O OD1 . ASN A 777 ? 0.3815 0.8162 0.6281 0.0099 -0.0639 -0.0124 839 ASN A OD1 6235 N ND2 . ASN A 777 ? 0.5417 0.8240 0.7089 -0.0433 -0.1381 -0.0324 839 ASN A ND2 6236 N N . ARG A 778 ? 0.4838 0.8257 0.6047 0.0644 -0.0791 0.0604 840 ARG A N 6237 C CA . ARG A 778 ? 0.5490 0.6885 0.7378 -0.0135 -0.0245 0.0460 840 ARG A CA 6238 C C . ARG A 778 ? 0.6469 0.7075 0.6380 -0.0556 -0.0638 0.0204 840 ARG A C 6239 O O . ARG A 778 ? 0.6137 0.8415 0.6710 -0.0321 -0.0335 0.0889 840 ARG A O 6240 C CB . ARG A 778 ? 0.6170 0.8406 0.6898 0.0598 -0.0630 0.1236 840 ARG A CB 6241 C CG . ARG A 778 ? 0.6122 0.7557 0.7167 0.0294 -0.0269 0.0083 840 ARG A CG 6242 C CD . ARG A 778 ? 0.4933 0.8458 0.6184 -0.0191 -0.0434 0.0659 840 ARG A CD 6243 N NE . ARG A 778 ? 0.4021 0.8041 0.7195 -0.0295 -0.1145 0.0828 840 ARG A NE 6244 C CZ . ARG A 778 ? 0.4650 0.8513 0.6850 0.0489 -0.0954 0.0554 840 ARG A CZ 6245 N NH1 . ARG A 778 ? 0.6918 0.8407 0.6683 -0.0455 -0.1570 0.0537 840 ARG A NH1 6246 N NH2 . ARG A 778 ? 0.3851 0.8364 0.7108 -0.0155 -0.1036 0.0814 840 ARG A NH2 6247 N N . TYR A 779 ? 0.5694 0.6228 0.6176 -0.0371 -0.0323 0.0716 841 TYR A N 6248 C CA . TYR A 779 ? 0.5485 0.7142 0.7098 -0.0421 -0.0477 0.0619 841 TYR A CA 6249 C C . TYR A 779 ? 0.5002 0.6920 0.8409 -0.0672 -0.0968 0.0586 841 TYR A C 6250 O O . TYR A 779 ? 0.5309 0.6938 0.7463 0.0031 0.0745 0.0361 841 TYR A O 6251 C CB . TYR A 779 ? 0.4366 0.7216 0.7094 -0.0746 -0.0248 0.0331 841 TYR A CB 6252 C CG . TYR A 779 ? 0.5021 0.7339 0.6805 -0.0880 -0.0317 -0.0021 841 TYR A CG 6253 C CD1 . TYR A 779 ? 0.5118 0.6722 0.7013 -0.0238 -0.0317 0.0904 841 TYR A CD1 6254 C CD2 . TYR A 779 ? 0.4459 0.7238 0.6635 -0.0390 0.0184 -0.0116 841 TYR A CD2 6255 C CE1 . TYR A 779 ? 0.4894 0.7502 0.6874 -0.0217 0.0156 0.0400 841 TYR A CE1 6256 C CE2 . TYR A 779 ? 0.4820 0.6224 0.6839 -0.0469 -0.0336 0.1119 841 TYR A CE2 6257 C CZ . TYR A 779 ? 0.5120 0.7291 0.6128 0.0298 -0.0743 0.0968 841 TYR A CZ 6258 O OH . TYR A 779 ? 0.4474 0.6200 0.7175 -0.0507 -0.0005 0.0928 841 TYR A OH 6259 N N . LEU A 780 ? 0.5241 0.7503 0.7760 -0.0380 -0.0046 0.1322 842 LEU A N 6260 C CA . LEU A 780 ? 0.4880 0.7045 0.8150 0.0067 -0.0568 0.0007 842 LEU A CA 6261 C C . LEU A 780 ? 0.6466 0.7572 0.7402 0.0023 -0.0700 -0.0198 842 LEU A C 6262 O O . LEU A 780 ? 0.6604 0.7798 0.6891 0.0393 0.0169 0.0080 842 LEU A O 6263 C CB . LEU A 780 ? 0.4854 0.6860 0.6562 -0.0334 -0.1599 0.0018 842 LEU A CB 6264 C CG . LEU A 780 ? 0.4923 0.7076 0.7303 0.0486 -0.0737 0.0771 842 LEU A CG 6265 C CD1 . LEU A 780 ? 0.5232 0.6497 0.7711 0.0498 -0.1056 -0.1016 842 LEU A CD1 6266 C CD2 . LEU A 780 ? 0.4782 0.7630 0.6552 0.0197 -0.1070 0.0100 842 LEU A CD2 6267 N N . GLY A 781 ? 0.5610 0.8445 0.6913 -0.0932 0.0107 0.0214 843 GLY A N 6268 C CA . GLY A 781 ? 0.6718 0.7835 0.7963 -0.0260 0.0362 -0.0276 843 GLY A CA 6269 C C . GLY A 781 ? 0.5939 0.7769 0.7673 0.0648 -0.0569 -0.0543 843 GLY A C 6270 O O . GLY A 781 ? 0.7172 0.9789 0.8703 0.0034 0.1693 -0.1242 843 GLY A O 6271 N N . TYR A 782 ? 0.5374 0.7999 0.7777 -0.0701 -0.1049 0.0246 844 TYR A N 6272 C CA . TYR A 782 ? 0.5112 0.8177 0.8356 -0.0361 0.0427 0.1126 844 TYR A CA 6273 C C . TYR A 782 ? 0.6067 0.8917 0.8405 0.0668 0.0881 0.1208 844 TYR A C 6274 O O . TYR A 782 ? 0.5955 0.9007 0.7349 0.0641 0.0192 0.1031 844 TYR A O 6275 C CB . TYR A 782 ? 0.4368 0.8697 0.7626 -0.0177 0.0718 0.0457 844 TYR A CB 6276 C CG . TYR A 782 ? 0.5324 0.8230 0.8545 -0.0226 0.0294 0.0676 844 TYR A CG 6277 C CD1 . TYR A 782 ? 0.5620 0.9293 0.8551 -0.0033 -0.0128 0.0745 844 TYR A CD1 6278 C CD2 . TYR A 782 ? 0.4931 0.8870 0.8107 -0.0037 0.0129 -0.0529 844 TYR A CD2 6279 C CE1 . TYR A 782 ? 0.4730 0.9596 0.8852 0.0300 -0.0781 0.0218 844 TYR A CE1 6280 C CE2 . TYR A 782 ? 0.6299 0.8006 0.8385 -0.0556 0.0309 0.0077 844 TYR A CE2 6281 C CZ . TYR A 782 ? 0.5386 0.8543 0.8477 -0.1425 -0.0274 0.0875 844 TYR A CZ 6282 O OH . TYR A 782 ? 0.7069 0.7945 0.9144 -0.0990 0.0785 0.1425 844 TYR A OH 6283 N N . THR A 783 ? 0.5143 0.8503 0.8681 0.1453 0.1054 0.1622 845 THR A N 6284 C CA . THR A 783 ? 0.4469 0.8804 0.9046 0.0378 -0.0009 0.0879 845 THR A CA 6285 C C . THR A 783 ? 0.5963 0.7704 0.9241 0.0272 0.0434 0.1359 845 THR A C 6286 O O . THR A 783 ? 0.5908 0.8623 0.9504 0.0110 0.0225 0.1127 845 THR A O 6287 C CB . THR A 783 ? 0.4553 0.8901 0.8477 0.0281 -0.0379 0.0568 845 THR A CB 6288 O OG1 . THR A 783 ? 0.5382 0.7451 0.9288 0.0844 -0.0949 0.1231 845 THR A OG1 6289 C CG2 . THR A 783 ? 0.4632 0.8505 0.7784 0.0081 -0.0823 0.0852 845 THR A CG2 6290 N N . LEU A 784 ? 0.6539 0.8607 1.0271 -0.0612 0.1419 0.0048 846 LEU A N 6291 C CA . LEU A 784 ? 0.7485 0.8616 1.0256 0.0041 0.0795 -0.0018 846 LEU A CA 6292 C C . LEU A 784 ? 0.8583 0.8616 1.2033 0.0711 0.2407 -0.1077 846 LEU A C 6293 O O . LEU A 784 ? 0.9859 0.8582 1.2648 0.1244 0.0825 -0.2398 846 LEU A O 6294 C CB . LEU A 784 ? 0.5598 0.8515 1.1593 0.0981 0.1279 -0.0465 846 LEU A CB 6295 C CG . LEU A 784 ? 0.8088 0.9220 1.0453 0.0084 0.1751 -0.0621 846 LEU A CG 6296 C CD1 . LEU A 784 ? 1.0178 0.8987 1.2057 -0.0428 0.2060 -0.1704 846 LEU A CD1 6297 C CD2 . LEU A 784 ? 0.5436 0.9652 1.1770 0.0974 0.1037 -0.0654 846 LEU A CD2 6298 N N . ASN A 785 ? 0.8474 0.9415 1.1761 -0.0169 0.2119 0.0295 847 ASN A N 6299 C CA . ASN A 785 ? 0.6933 1.0079 1.0445 0.1085 0.1665 -0.0066 847 ASN A CA 6300 C C . ASN A 785 ? 0.7755 0.9001 1.1678 0.0917 0.1854 -0.0943 847 ASN A C 6301 O O . ASN A 785 ? 0.5164 0.8911 1.1721 0.0798 0.2584 -0.0803 847 ASN A O 6302 C CB . ASN A 785 ? 0.6035 0.7631 1.0862 0.0954 0.2292 -0.0520 847 ASN A CB 6303 C CG . ASN A 785 ? 0.8259 0.8865 0.9587 0.0771 0.1744 0.0004 847 ASN A CG 6304 O OD1 . ASN A 785 ? 0.9111 1.1104 1.0571 0.1929 0.0830 -0.0658 847 ASN A OD1 6305 N ND2 . ASN A 785 ? 0.7805 1.0142 0.8913 -0.0561 0.0255 -0.0225 847 ASN A ND2 6306 N N . PRO A 786 ? 0.6855 1.0558 1.0792 0.0545 0.2412 -0.0590 848 PRO A N 6307 C CA . PRO A 786 ? 0.7000 0.9123 1.1647 0.0584 0.2085 -0.0036 848 PRO A CA 6308 C C . PRO A 786 ? 0.6053 0.9173 1.1576 0.0074 0.2029 -0.0636 848 PRO A C 6309 O O . PRO A 786 ? 0.5935 1.2002 1.1130 -0.0783 0.1171 -0.0059 848 PRO A O 6310 C CB . PRO A 786 ? 0.7804 0.9168 1.2029 0.0682 0.2972 -0.0277 848 PRO A CB 6311 C CG . PRO A 786 ? 0.8102 0.9723 1.2653 0.1241 0.1034 -0.0715 848 PRO A CG 6312 C CD . PRO A 786 ? 0.7770 1.0152 1.0975 0.2192 0.2524 -0.0152 848 PRO A CD 6313 N N . ASP A 787 ? 0.5976 1.1325 1.1355 0.1222 0.3259 0.0446 849 ASP A N 6314 C CA . ASP A 787 ? 0.7891 1.1035 1.2047 0.0682 0.2602 0.0323 849 ASP A CA 6315 C C . ASP A 787 ? 0.8458 0.9928 1.1316 -0.0289 0.2704 0.0602 849 ASP A C 6316 O O . ASP A 787 ? 0.7339 1.2461 1.2428 -0.2458 0.2739 -0.0708 849 ASP A O 6317 C CB . ASP A 787 ? 0.8125 1.0683 1.1075 0.0737 0.4273 0.0391 849 ASP A CB 6318 C CG . ASP A 787 ? 0.8309 1.0579 1.0488 0.0434 0.1609 -0.1693 849 ASP A CG 6319 O OD1 . ASP A 787 ? 0.7723 1.3687 1.1190 -0.1860 0.2980 0.0517 849 ASP A OD1 6320 O OD2 . ASP A 787 ? 1.0963 1.3301 1.0605 -0.1222 -0.0514 -0.1450 849 ASP A OD2 6321 N N . LEU A 788 ? 0.7682 0.8755 1.0698 0.0424 0.2137 0.0757 850 LEU A N 6322 C CA . LEU A 788 ? 0.5896 0.8778 0.8729 0.0520 0.0939 0.1001 850 LEU A CA 6323 C C . LEU A 788 ? 0.6202 0.9141 0.8888 -0.0062 0.1655 0.0559 850 LEU A C 6324 O O . LEU A 788 ? 0.5386 0.9731 0.8114 -0.0433 0.0969 0.0166 850 LEU A O 6325 C CB . LEU A 788 ? 0.5931 0.9101 0.9219 -0.1134 0.1172 0.0435 850 LEU A CB 6326 C CG . LEU A 788 ? 0.6573 0.9643 0.9385 -0.0185 0.1072 0.0651 850 LEU A CG 6327 C CD1 . LEU A 788 ? 0.6837 0.9410 0.8210 -0.1095 0.1447 -0.0931 850 LEU A CD1 6328 C CD2 . LEU A 788 ? 0.7017 1.0040 0.9313 -0.0531 0.0928 0.0818 850 LEU A CD2 6329 N N . ILE A 789 ? 0.4716 0.8714 0.9657 0.0926 0.1104 0.0314 851 ILE A N 6330 C CA . ILE A 789 ? 0.6084 0.8038 1.0013 0.0484 0.0933 0.1836 851 ILE A CA 6331 C C . ILE A 789 ? 0.4566 0.9417 1.0177 0.0777 0.0206 0.0091 851 ILE A C 6332 O O . ILE A 789 ? 0.5881 0.9571 1.1316 0.1103 0.1049 0.0050 851 ILE A O 6333 C CB . ILE A 789 ? 0.5754 0.9027 1.0201 0.0623 0.0995 0.1139 851 ILE A CB 6334 C CG1 . ILE A 789 ? 0.5380 0.8267 0.8898 0.0248 0.1774 0.1204 851 ILE A CG1 6335 C CG2 . ILE A 789 ? 0.5240 1.0207 1.0270 0.2147 0.0768 0.0618 851 ILE A CG2 6336 C CD1 . ILE A 789 ? 0.7019 0.8001 0.9202 0.0739 0.2046 0.1250 851 ILE A CD1 6337 N N . ARG A 790 ? 0.3170 1.0965 1.0503 -0.0604 0.0787 0.1667 852 ARG A N 6338 C CA . ARG A 790 ? 0.4899 1.0340 1.1848 0.0314 0.0981 0.1813 852 ARG A CA 6339 C C . ARG A 790 ? 0.4705 0.9383 1.1722 0.1028 -0.0004 0.2049 852 ARG A C 6340 O O . ARG A 790 ? 0.4816 1.0965 1.3288 0.1435 0.0445 0.1545 852 ARG A O 6341 C CB . ARG A 790 ? 0.5920 1.1423 1.1198 0.0740 0.0326 0.1974 852 ARG A CB 6342 C CG . ARG A 790 ? 0.5599 1.0884 1.1488 0.0444 -0.0918 0.1674 852 ARG A CG 6343 C CD . ARG A 790 ? 0.6864 1.1397 1.2914 0.0986 -0.0311 0.0518 852 ARG A CD 6344 N NE . ARG A 790 ? 0.8650 1.2686 1.4223 0.1630 -0.0856 0.1282 852 ARG A NE 6345 C CZ . ARG A 790 ? 0.9349 1.0782 1.2758 0.2514 -0.1028 0.3261 852 ARG A CZ 6346 N NH1 . ARG A 790 ? 0.9269 1.2655 1.5080 0.3062 0.0896 0.0343 852 ARG A NH1 6347 N NH2 . ARG A 790 ? 0.8609 1.5179 1.2278 0.2260 -0.2017 0.2447 852 ARG A NH2 6348 N N . LYS A 791 ? 0.5511 1.0809 1.2994 0.1156 0.2343 0.0075 853 LYS A N 6349 C CA . LYS A 791 ? 0.8454 1.0888 1.3010 0.1328 0.1811 0.0863 853 LYS A CA 6350 C C . LYS A 791 ? 0.5680 0.7048 1.2816 0.2207 0.2057 0.1537 853 LYS A C 6351 O O . LYS A 791 ? 0.4702 0.8481 1.4639 0.0381 0.0987 0.0711 853 LYS A O 6352 C CB . LYS A 791 ? 0.9056 1.1503 1.6687 0.1495 0.1814 -0.0723 853 LYS A CB 6353 C CG . LYS A 791 ? 0.8954 1.2349 1.7051 0.1383 0.2261 -0.0560 853 LYS A CG 6354 C CD . LYS A 791 ? 0.9831 1.2769 1.6501 0.1852 0.2013 -0.2278 853 LYS A CD 6355 C CE . LYS A 791 ? 0.9301 1.5515 1.4013 0.2071 0.2447 0.0840 853 LYS A CE 6356 N NZ . LYS A 791 ? 1.0762 1.6458 1.0710 0.0450 0.3310 0.0266 853 LYS A NZ 6357 N N . GLN A 792 ? 0.4559 1.1660 1.3976 0.1787 0.2341 0.1025 854 GLN A N 6358 C CA . GLN A 792 ? 0.5736 1.2161 1.4002 0.0622 0.0570 0.2647 854 GLN A CA 6359 C C . GLN A 792 ? 0.5906 1.1190 1.3272 0.0524 0.0058 0.2998 854 GLN A C 6360 O O . GLN A 792 ? 0.3247 1.0228 1.3985 0.1663 0.0938 0.2580 854 GLN A O 6361 C CB . GLN A 792 ? 0.6630 1.2589 1.3117 0.0523 -0.0753 0.3293 854 GLN A CB 6362 C CG . GLN A 792 ? 0.6089 1.3086 1.3651 0.1505 -0.0852 0.4495 854 GLN A CG 6363 C CD . GLN A 792 ? 0.5957 1.3639 1.4430 0.0500 0.0710 0.3226 854 GLN A CD 6364 O OE1 . GLN A 792 ? 0.7413 1.2269 1.2903 0.1844 0.0970 0.3827 854 GLN A OE1 6365 N NE2 . GLN A 792 ? 0.8037 1.3623 1.4182 0.0962 0.0254 0.1524 854 GLN A NE2 6366 N N . ASP A 793 ? 0.5293 0.8866 1.1041 -0.0683 0.0676 0.2309 855 ASP A N 6367 C CA . ASP A 793 ? 0.5101 0.9088 1.0587 -0.0544 -0.0496 0.1615 855 ASP A CA 6368 C C . ASP A 793 ? 0.4743 0.8785 1.0025 -0.0476 0.0242 0.1424 855 ASP A C 6369 O O . ASP A 793 ? 0.4630 0.8288 1.2376 -0.0237 -0.0103 0.2291 855 ASP A O 6370 C CB . ASP A 793 ? 0.5939 0.8745 1.1062 0.0121 -0.1019 0.1543 855 ASP A CB 6371 C CG . ASP A 793 ? 0.4375 0.7736 1.1469 0.1634 -0.0984 0.1923 855 ASP A CG 6372 O OD1 . ASP A 793 ? 0.6166 1.0166 1.0271 0.2358 -0.0202 0.2128 855 ASP A OD1 6373 O OD2 . ASP A 793 ? 0.5849 0.9017 1.2634 -0.1513 0.0086 0.0735 855 ASP A OD2 6374 N N . ALA A 794 ? 0.5146 0.8687 0.9296 0.0457 0.0468 0.1160 856 ALA A N 6375 C CA . ALA A 794 ? 0.5948 0.7664 1.0209 -0.0264 0.0041 0.1107 856 ALA A CA 6376 C C . ALA A 794 ? 0.5308 0.7062 0.9370 0.0980 -0.0015 0.0601 856 ALA A C 6377 O O . ALA A 794 ? 0.4976 0.6341 0.8762 0.0389 -0.0625 0.0845 856 ALA A O 6378 C CB . ALA A 794 ? 0.6892 0.8314 1.0700 0.0529 0.0872 0.1213 856 ALA A CB 6379 N N . THR A 795 ? 0.5173 0.8517 0.8940 0.0920 -0.0437 0.0795 857 THR A N 6380 C CA . THR A 795 ? 0.5947 0.7390 0.9953 -0.0034 -0.0687 0.1715 857 THR A CA 6381 C C . THR A 795 ? 0.4911 0.8015 0.8924 -0.0573 -0.0417 0.1568 857 THR A C 6382 O O . THR A 795 ? 0.4191 0.8704 0.9871 0.0782 -0.1601 0.0792 857 THR A O 6383 C CB . THR A 795 ? 0.5337 0.7963 1.0581 0.1536 -0.0742 0.1183 857 THR A CB 6384 O OG1 . THR A 795 ? 0.5066 0.8608 1.1139 0.1183 -0.0891 0.1887 857 THR A OG1 6385 C CG2 . THR A 795 ? 0.6623 0.8378 1.0535 0.0881 0.0254 0.0674 857 THR A CG2 6386 N N . SER A 796 ? 0.4701 0.6665 0.8758 0.0268 -0.1899 0.2353 858 SER A N 6387 C CA . SER A 796 ? 0.5124 0.7735 0.8538 -0.0058 -0.0881 0.1966 858 SER A CA 6388 C C . SER A 796 ? 0.5147 0.7406 0.8538 0.0113 -0.0918 0.1479 858 SER A C 6389 O O . SER A 796 ? 0.4854 0.7468 0.8196 0.0320 -0.1128 0.1828 858 SER A O 6390 C CB . SER A 796 ? 0.5308 0.7708 0.9551 0.0654 -0.1695 -0.0314 858 SER A CB 6391 O OG . SER A 796 ? 0.9149 0.8581 1.1343 -0.0543 -0.1173 -0.1684 858 SER A OG 6392 N N . THR A 797 ? 0.4068 0.6207 0.8161 -0.0027 -0.0507 0.1017 859 THR A N 6393 C CA . THR A 797 ? 0.4555 0.6009 0.8102 -0.0024 -0.0672 0.0921 859 THR A CA 6394 C C . THR A 797 ? 0.4456 0.6783 0.7848 0.0022 -0.0551 0.0792 859 THR A C 6395 O O . THR A 797 ? 0.4219 0.7382 0.8269 0.0237 -0.0459 0.1398 859 THR A O 6396 C CB . THR A 797 ? 0.5190 0.6763 0.8392 0.0033 -0.0893 0.1193 859 THR A CB 6397 O OG1 . THR A 797 ? 0.4470 0.6114 0.9550 0.0968 0.0869 0.0930 859 THR A OG1 6398 C CG2 . THR A 797 ? 0.4254 0.7900 0.6625 -0.0186 -0.0679 0.1062 859 THR A CG2 6399 N N . ILE A 798 ? 0.5136 0.6352 0.7005 -0.0325 -0.0480 0.1216 860 ILE A N 6400 C CA . ILE A 798 ? 0.5172 0.6033 0.7746 -0.0229 -0.0386 0.0953 860 ILE A CA 6401 C C . ILE A 798 ? 0.4491 0.6410 0.7701 -0.0215 -0.0763 0.0615 860 ILE A C 6402 O O . ILE A 798 ? 0.4834 0.6299 0.7884 0.0968 -0.1045 -0.0032 860 ILE A O 6403 C CB . ILE A 798 ? 0.4832 0.6411 0.7949 0.0337 -0.0971 0.0443 860 ILE A CB 6404 C CG1 . ILE A 798 ? 0.6432 0.6480 0.8024 -0.0046 -0.0452 0.1433 860 ILE A CG1 6405 C CG2 . ILE A 798 ? 0.5560 0.5851 0.8568 0.0153 -0.0422 0.0900 860 ILE A CG2 6406 C CD1 . ILE A 798 ? 0.4648 0.6849 0.7922 0.0136 -0.0728 0.1426 860 ILE A CD1 6407 N N . ASN A 799 ? 0.4827 0.6632 0.7825 -0.0005 -0.1209 0.0944 861 ASN A N 6408 C CA . ASN A 799 ? 0.4326 0.6922 0.7276 0.0310 -0.1751 0.1330 861 ASN A CA 6409 C C . ASN A 799 ? 0.4971 0.6466 0.7797 -0.0172 -0.0535 0.1383 861 ASN A C 6410 O O . ASN A 799 ? 0.4498 0.6396 0.8167 -0.0600 -0.0296 0.1295 861 ASN A O 6411 C CB . ASN A 799 ? 0.3367 0.6379 0.8441 0.0751 -0.1906 0.0798 861 ASN A CB 6412 C CG . ASN A 799 ? 0.5807 0.7774 1.0519 -0.0880 -0.2097 0.2167 861 ASN A CG 6413 O OD1 . ASN A 799 ? 0.4756 0.9145 1.1533 -0.0338 -0.2571 0.2148 861 ASN A OD1 6414 N ND2 . ASN A 799 ? 0.6112 0.7037 0.9866 0.0552 -0.0690 0.1145 861 ASN A ND2 6415 N N . SER A 800 ? 0.4229 0.6822 0.7302 -0.0840 -0.0559 0.0485 862 SER A N 6416 C CA . SER A 800 ? 0.4562 0.6718 0.6963 -0.0557 -0.1329 0.0284 862 SER A CA 6417 C C . SER A 800 ? 0.4363 0.5729 0.7091 -0.0597 -0.1099 0.1103 862 SER A C 6418 O O . SER A 800 ? 0.4241 0.6466 0.7950 -0.0334 -0.0823 0.0553 862 SER A O 6419 C CB . SER A 800 ? 0.3615 0.6615 0.6788 0.0048 -0.0918 -0.0165 862 SER A CB 6420 O OG . SER A 800 ? 0.3767 0.7811 0.7654 -0.0195 -0.1274 0.0751 862 SER A OG 6421 N N . ILE A 801 ? 0.4104 0.6170 0.7007 -0.0180 -0.0788 0.0774 863 ILE A N 6422 C CA . ILE A 801 ? 0.4727 0.6338 0.6615 -0.0118 -0.1271 0.0567 863 ILE A CA 6423 C C . ILE A 801 ? 0.4622 0.5992 0.6866 -0.0090 -0.1285 0.0664 863 ILE A C 6424 O O . ILE A 801 ? 0.4375 0.6550 0.6865 -0.0073 -0.1358 0.0654 863 ILE A O 6425 C CB . ILE A 801 ? 0.4500 0.6036 0.6623 0.0114 -0.1020 0.0623 863 ILE A CB 6426 C CG1 . ILE A 801 ? 0.4501 0.6445 0.7005 0.0164 -0.0818 0.0578 863 ILE A CG1 6427 C CG2 . ILE A 801 ? 0.4645 0.5526 0.6079 0.0891 -0.1355 0.0857 863 ILE A CG2 6428 C CD1 . ILE A 801 ? 0.5173 0.6104 0.6115 0.0103 -0.1065 0.1036 863 ILE A CD1 6429 N N . ALA A 802 ? 0.5400 0.6452 0.6979 0.0283 -0.1230 0.1061 864 ALA A N 6430 C CA . ALA A 802 ? 0.4559 0.6566 0.7251 -0.0278 -0.1400 0.0537 864 ALA A CA 6431 C C . ALA A 802 ? 0.4079 0.6762 0.7163 -0.0052 -0.1272 0.0636 864 ALA A C 6432 O O . ALA A 802 ? 0.4705 0.6804 0.6185 -0.0623 -0.0629 0.0781 864 ALA A O 6433 C CB . ALA A 802 ? 0.4600 0.7064 0.6225 0.0052 -0.1269 0.1090 864 ALA A CB 6434 N N . SER A 803 ? 0.4502 0.6591 0.7063 -0.0197 -0.1218 0.0643 865 SER A N 6435 C CA . SER A 803 ? 0.4624 0.6726 0.6807 -0.0015 -0.1654 0.0855 865 SER A CA 6436 C C . SER A 803 ? 0.3675 0.7180 0.6810 0.0090 -0.1311 0.0411 865 SER A C 6437 O O . SER A 803 ? 0.4075 0.6659 0.6200 0.0014 -0.1066 0.0480 865 SER A O 6438 C CB . SER A 803 ? 0.4410 0.6919 0.7503 0.0235 -0.1403 -0.0530 865 SER A CB 6439 O OG . SER A 803 ? 0.5390 0.8043 0.7920 -0.1239 -0.1601 0.0674 865 SER A OG 6440 N N . ASN A 804 ? 0.3721 0.6633 0.6758 -0.0364 -0.0699 0.0569 866 ASN A N 6441 C CA . ASN A 804 ? 0.4219 0.6584 0.6455 0.0297 -0.0388 0.0372 866 ASN A CA 6442 C C . ASN A 804 ? 0.4327 0.7702 0.7050 -0.0216 -0.1217 0.0100 866 ASN A C 6443 O O . ASN A 804 ? 0.3499 0.6545 0.7379 0.0497 -0.0176 0.0907 866 ASN A O 6444 C CB . ASN A 804 ? 0.3969 0.6291 0.6957 0.0208 -0.0085 0.0755 866 ASN A CB 6445 C CG . ASN A 804 ? 0.4740 0.6842 0.7762 0.0104 -0.1101 0.1068 866 ASN A CG 6446 O OD1 . ASN A 804 ? 0.5030 0.6128 0.7245 0.0034 -0.0538 0.1464 866 ASN A OD1 6447 N ND2 . ASN A 804 ? 0.4067 0.8034 0.7598 -0.0377 -0.1430 0.1215 866 ASN A ND2 6448 N N . VAL A 805 ? 0.4429 0.7382 0.7618 -0.0424 -0.0723 0.0694 867 VAL A N 6449 C CA . VAL A 805 ? 0.3580 0.7365 0.7745 0.0408 -0.1431 0.1367 867 VAL A CA 6450 C C . VAL A 805 ? 0.4239 0.6917 0.7497 0.0217 -0.0335 0.0416 867 VAL A C 6451 O O . VAL A 805 ? 0.4297 0.7649 0.7490 -0.0122 -0.0639 -0.0018 867 VAL A O 6452 C CB . VAL A 805 ? 0.4358 0.7660 0.7197 -0.0157 -0.0633 0.1075 867 VAL A CB 6453 C CG1 . VAL A 805 ? 0.2355 0.7012 0.8140 0.0406 -0.0805 0.0308 867 VAL A CG1 6454 C CG2 . VAL A 805 ? 0.5111 0.6615 0.8777 -0.0172 -0.0419 0.1341 867 VAL A CG2 6455 N N . ILE A 806 ? 0.3860 0.7448 0.7071 0.0099 -0.0857 0.0242 868 ILE A N 6456 C CA . ILE A 806 ? 0.4432 0.7526 0.7253 0.0472 -0.1280 0.0399 868 ILE A CA 6457 C C . ILE A 806 ? 0.4534 0.6951 0.7162 -0.0508 -0.0651 0.0491 868 ILE A C 6458 O O . ILE A 806 ? 0.3461 0.7349 0.6237 -0.0930 -0.0731 0.0882 868 ILE A O 6459 C CB . ILE A 806 ? 0.4367 0.7334 0.7363 0.0071 -0.1678 0.0329 868 ILE A CB 6460 C CG1 . ILE A 806 ? 0.4152 0.7906 0.6349 0.0239 -0.1408 0.1122 868 ILE A CG1 6461 C CG2 . ILE A 806 ? 0.5366 0.6335 0.7412 0.1826 -0.0735 -0.0651 868 ILE A CG2 6462 C CD1 . ILE A 806 ? 0.5003 0.6632 0.7950 -0.0040 -0.0767 -0.0298 868 ILE A CD1 6463 N N . GLY A 807 ? 0.4591 0.5452 0.7691 -0.0500 -0.1075 0.1001 869 GLY A N 6464 C CA . GLY A 807 ? 0.4430 0.6665 0.8197 -0.0208 -0.0928 0.0884 869 GLY A CA 6465 C C . GLY A 807 ? 0.4038 0.7016 0.7610 0.0057 -0.1108 0.1158 869 GLY A C 6466 O O . GLY A 807 ? 0.6134 0.5981 0.7406 -0.0677 -0.1118 0.0505 869 GLY A O 6467 N N . GLN A 808 ? 0.3369 0.6980 0.7493 -0.0052 -0.1428 0.1008 870 GLN A N 6468 C CA . GLN A 808 ? 0.5258 0.6713 0.7172 -0.0108 -0.1248 0.0946 870 GLN A CA 6469 C C . GLN A 808 ? 0.5090 0.6884 0.7359 -0.0378 -0.1079 0.0986 870 GLN A C 6470 O O . GLN A 808 ? 0.4422 0.7010 0.7451 -0.0653 -0.0530 0.0445 870 GLN A O 6471 C CB . GLN A 808 ? 0.4663 0.6501 0.8026 -0.0512 -0.0756 0.0623 870 GLN A CB 6472 C CG . GLN A 808 ? 0.5042 0.6929 0.7726 0.0032 -0.0650 0.1202 870 GLN A CG 6473 C CD . GLN A 808 ? 0.5622 0.6564 0.6990 -0.0482 -0.1278 0.1066 870 GLN A CD 6474 O OE1 . GLN A 808 ? 0.4911 0.6544 0.7833 -0.1159 -0.1521 0.1353 870 GLN A OE1 6475 N NE2 . GLN A 808 ? 0.5279 0.6527 0.7571 -0.0481 -0.0779 0.0970 870 GLN A NE2 6476 N N . PRO A 809 ? 0.5343 0.6683 0.8613 -0.0451 -0.1666 0.0083 871 PRO A N 6477 C CA . PRO A 809 ? 0.4957 0.7023 0.7845 -0.0971 -0.1678 0.0477 871 PRO A CA 6478 C C . PRO A 809 ? 0.5134 0.7304 0.8070 -0.1080 -0.1266 0.0379 871 PRO A C 6479 O O . PRO A 809 ? 0.5931 0.6336 0.8512 -0.0787 -0.0727 0.1213 871 PRO A O 6480 C CB . PRO A 809 ? 0.4636 0.7096 0.7471 -0.1369 -0.1654 0.0319 871 PRO A CB 6481 C CG . PRO A 809 ? 0.4732 0.7443 0.8171 -0.0831 -0.1400 0.0230 871 PRO A CG 6482 C CD . PRO A 809 ? 0.4307 0.7556 0.8604 -0.0178 -0.1922 0.0889 871 PRO A CD 6483 N N . LEU A 810 ? 0.4256 0.5958 0.8025 0.0305 -0.1598 0.0220 872 LEU A N 6484 C CA . LEU A 810 ? 0.5689 0.6451 0.7683 -0.0403 -0.1222 0.0681 872 LEU A CA 6485 C C . LEU A 810 ? 0.5065 0.5846 0.7762 -0.0909 -0.1300 0.0308 872 LEU A C 6486 O O . LEU A 810 ? 0.4723 0.7475 0.7353 -0.0634 -0.1156 -0.0230 872 LEU A O 6487 C CB . LEU A 810 ? 0.5165 0.6067 0.7272 -0.0139 -0.0919 0.0287 872 LEU A CB 6488 C CG . LEU A 810 ? 0.3891 0.7099 0.7029 -0.0530 -0.0833 0.1017 872 LEU A CG 6489 C CD1 . LEU A 810 ? 0.4611 0.6477 0.7770 -0.0129 -0.0934 0.0572 872 LEU A CD1 6490 C CD2 . LEU A 810 ? 0.5110 0.6389 0.7187 -0.0105 -0.1703 0.1050 872 LEU A CD2 6491 N N . ALA A 811 ? 0.4844 0.5474 0.7810 -0.0078 -0.1475 0.0245 873 ALA A N 6492 C CA . ALA A 811 ? 0.4822 0.6611 0.7165 0.0044 -0.1249 0.0626 873 ALA A CA 6493 C C . ALA A 811 ? 0.6505 0.6962 0.7792 -0.0481 -0.0819 0.0599 873 ALA A C 6494 O O . ALA A 811 ? 0.5397 0.7383 0.7752 -0.0557 -0.1118 0.0940 873 ALA A O 6495 C CB . ALA A 811 ? 0.4803 0.5933 0.7340 0.0030 -0.1025 0.0551 873 ALA A CB 6496 N N . TRP A 812 ? 0.5632 0.6180 0.8235 0.0066 -0.0792 -0.0151 874 TRP A N 6497 C CA . TRP A 812 ? 0.6306 0.6489 0.7988 0.0106 -0.0918 0.0805 874 TRP A CA 6498 C C . TRP A 812 ? 0.6240 0.6371 0.7936 -0.0711 -0.1225 0.0936 874 TRP A C 6499 O O . TRP A 812 ? 0.6086 0.7143 0.7548 -0.0007 -0.1061 0.0307 874 TRP A O 6500 C CB . TRP A 812 ? 0.5408 0.6446 0.8280 0.0069 -0.0940 -0.0201 874 TRP A CB 6501 C CG . TRP A 812 ? 0.5700 0.6795 0.9237 -0.0216 -0.0571 -0.0026 874 TRP A CG 6502 C CD1 . TRP A 812 ? 0.6231 0.7265 0.9087 -0.1240 -0.0828 -0.0440 874 TRP A CD1 6503 C CD2 . TRP A 812 ? 0.6268 0.6954 0.8226 -0.0705 -0.1078 0.0653 874 TRP A CD2 6504 N NE1 . TRP A 812 ? 0.6132 0.8063 0.8554 -0.0585 -0.0072 0.0771 874 TRP A NE1 6505 C CE2 . TRP A 812 ? 0.6912 0.6315 0.8133 -0.0641 -0.0964 0.1168 874 TRP A CE2 6506 C CE3 . TRP A 812 ? 0.6412 0.6415 0.7812 -0.0993 -0.1246 0.1403 874 TRP A CE3 6507 C CZ2 . TRP A 812 ? 0.7220 0.6923 0.9170 -0.0243 -0.1128 0.1489 874 TRP A CZ2 6508 C CZ3 . TRP A 812 ? 0.6763 0.6445 0.8178 -0.1086 -0.2175 0.1008 874 TRP A CZ3 6509 C CH2 . TRP A 812 ? 0.6838 0.6258 0.8227 -0.1100 -0.1415 0.0660 874 TRP A CH2 6510 N N . ASP A 813 ? 0.6413 0.6129 0.7852 0.0482 -0.0682 0.0515 875 ASP A N 6511 C CA . ASP A 813 ? 0.7040 0.7505 0.7999 -0.0434 -0.0842 0.0292 875 ASP A CA 6512 C C . ASP A 813 ? 0.6526 0.7266 0.7541 -0.0369 -0.1152 -0.0574 875 ASP A C 6513 O O . ASP A 813 ? 0.5948 0.5738 0.8160 -0.0634 -0.1081 0.0107 875 ASP A O 6514 C CB . ASP A 813 ? 0.6283 0.6794 0.8115 -0.0786 -0.1820 -0.1507 875 ASP A CB 6515 C CG . ASP A 813 ? 0.6885 0.6935 0.8183 -0.0892 -0.1018 -0.0293 875 ASP A CG 6516 O OD1 . ASP A 813 ? 0.6745 0.6558 0.9864 -0.2097 -0.0240 -0.0195 875 ASP A OD1 6517 O OD2 . ASP A 813 ? 0.5517 0.7480 0.7636 -0.0659 -0.0941 -0.1150 875 ASP A OD2 6518 N N . PHE A 814 ? 0.6231 0.6888 0.7511 -0.0164 -0.0124 0.0707 876 PHE A N 6519 C CA . PHE A 814 ? 0.6074 0.7293 0.7061 -0.0073 -0.0649 0.0147 876 PHE A CA 6520 C C . PHE A 814 ? 0.6756 0.7430 0.7998 0.0023 -0.0744 0.0620 876 PHE A C 6521 O O . PHE A 814 ? 0.6631 0.7683 0.8598 0.0791 -0.0733 0.0880 876 PHE A O 6522 C CB . PHE A 814 ? 0.6537 0.6576 0.6770 0.0562 -0.1369 -0.0574 876 PHE A CB 6523 C CG . PHE A 814 ? 0.6902 0.6196 0.7673 0.1493 -0.1084 0.0490 876 PHE A CG 6524 C CD1 . PHE A 814 ? 0.7681 0.7419 0.7283 -0.0235 -0.1272 -0.0883 876 PHE A CD1 6525 C CD2 . PHE A 814 ? 0.6464 0.7762 0.8160 -0.0865 -0.0823 -0.0773 876 PHE A CD2 6526 C CE1 . PHE A 814 ? 0.7025 0.7956 0.8133 0.0199 -0.1787 -0.0736 876 PHE A CE1 6527 C CE2 . PHE A 814 ? 0.6353 0.7353 0.8561 0.1085 -0.0374 -0.0760 876 PHE A CE2 6528 C CZ . PHE A 814 ? 0.6370 0.8449 0.8859 -0.0432 -0.1277 -0.0339 876 PHE A CZ 6529 N N . VAL A 815 ? 0.6035 0.7934 0.7837 0.0108 -0.1883 0.0328 877 VAL A N 6530 C CA . VAL A 815 ? 0.7193 0.7254 0.8465 0.1712 0.0917 0.0900 877 VAL A CA 6531 C C . VAL A 815 ? 0.8180 0.7390 0.8799 0.0865 0.0985 0.0963 877 VAL A C 6532 O O . VAL A 815 ? 0.7705 0.7829 0.9987 0.1281 0.0669 0.0966 877 VAL A O 6533 C CB . VAL A 815 ? 0.6590 0.7593 0.8956 0.1146 -0.0982 0.0626 877 VAL A CB 6534 C CG1 . VAL A 815 ? 0.5792 0.6041 0.9870 0.1737 0.0589 0.0024 877 VAL A CG1 6535 C CG2 . VAL A 815 ? 0.6352 0.7351 0.9306 0.0516 -0.0010 0.1594 877 VAL A CG2 6536 N N . GLN A 816 ? 0.7595 0.6772 0.9077 0.1352 -0.0480 -0.0352 878 GLN A N 6537 C CA . GLN A 816 ? 0.9207 0.7306 0.9282 0.0337 -0.1473 0.0003 878 GLN A CA 6538 C C . GLN A 816 ? 0.7260 0.7322 1.0396 -0.0028 0.0867 0.0531 878 GLN A C 6539 O O . GLN A 816 ? 0.8740 0.6834 1.1833 -0.0697 0.0795 -0.0491 878 GLN A O 6540 C CB . GLN A 816 ? 0.8996 0.8125 0.8450 0.1338 -0.1589 -0.0033 878 GLN A CB 6541 C CG . GLN A 816 ? 0.8951 0.8017 0.8261 0.1766 -0.1840 -0.0047 878 GLN A CG 6542 C CD . GLN A 816 ? 0.9018 0.7573 0.6519 0.0310 -0.0490 0.0281 878 GLN A CD 6543 O OE1 . GLN A 816 ? 0.7707 0.7965 0.7458 0.0711 -0.0459 0.0426 878 GLN A OE1 6544 N NE2 . GLN A 816 ? 0.9637 0.7109 0.6641 0.0119 -0.1267 -0.0419 878 GLN A NE2 6545 N N . SER A 817 ? 0.8584 0.8822 0.8929 0.0763 0.0816 0.0531 879 SER A N 6546 C CA . SER A 817 ? 1.2761 0.9366 0.8778 0.0853 -0.0404 -0.0097 879 SER A CA 6547 C C . SER A 817 ? 1.3169 0.9590 0.8680 0.1986 -0.0861 -0.0989 879 SER A C 6548 O O . SER A 817 ? 1.2442 0.7754 0.9944 0.1380 -0.0419 -0.0450 879 SER A O 6549 C CB . SER A 817 ? 1.2627 0.7674 0.8754 0.0266 0.0293 -0.0629 879 SER A CB 6550 O OG . SER A 817 ? 1.4638 0.8461 0.8618 -0.0147 -0.2040 0.0157 879 SER A OG 6551 N N . ASN A 818 ? 1.1043 0.8889 0.7809 0.2178 0.0271 0.0123 880 ASN A N 6552 C CA . ASN A 818 ? 1.1394 1.0777 0.9279 0.3432 0.1438 0.0861 880 ASN A CA 6553 C C . ASN A 818 ? 1.2779 1.1365 0.9548 0.3936 0.1261 0.1057 880 ASN A C 6554 O O . ASN A 818 ? 1.4071 0.9066 0.9695 0.4030 0.5157 0.2423 880 ASN A O 6555 C CB . ASN A 818 ? 0.9398 1.1028 0.9013 0.3445 0.1874 0.1131 880 ASN A CB 6556 C CG . ASN A 818 ? 0.8434 0.8697 0.9391 0.3021 0.1351 0.0588 880 ASN A CG 6557 O OD1 . ASN A 818 ? 0.9413 1.0403 1.0873 0.4228 0.2331 -0.1306 880 ASN A OD1 6558 N ND2 . ASN A 818 ? 0.7812 0.9653 0.8813 0.3163 0.0820 -0.0978 880 ASN A ND2 6559 N N . TRP A 819 ? 1.2360 0.9890 1.0546 0.4307 0.2924 -0.0633 881 TRP A N 6560 C CA . TRP A 819 ? 1.4305 0.8664 1.1647 0.4130 0.2116 0.0057 881 TRP A CA 6561 C C . TRP A 819 ? 1.4747 0.9840 1.1081 0.4534 0.3193 0.1489 881 TRP A C 6562 O O . TRP A 819 ? 1.5680 0.9649 1.2822 0.3669 0.1477 0.1043 881 TRP A O 6563 C CB . TRP A 819 ? 1.2289 0.8230 1.0755 0.5099 0.2505 -0.0554 881 TRP A CB 6564 C CG . TRP A 819 ? 1.0842 1.0542 1.0625 0.3185 0.1559 -0.0088 881 TRP A CG 6565 C CD1 . TRP A 819 ? 1.3361 1.1278 1.0446 0.4633 -0.0007 0.0558 881 TRP A CD1 6566 C CD2 . TRP A 819 ? 1.1791 1.2588 1.1256 0.3627 -0.0406 0.0741 881 TRP A CD2 6567 N NE1 . TRP A 819 ? 1.2998 1.1160 1.1799 0.4283 -0.1363 -0.0441 881 TRP A NE1 6568 C CE2 . TRP A 819 ? 1.5986 0.9094 1.3046 0.4224 0.1026 0.0626 881 TRP A CE2 6569 C CE3 . TRP A 819 ? 1.0928 1.2167 1.3861 0.5783 0.1013 0.1472 881 TRP A CE3 6570 C CZ2 . TRP A 819 ? 1.6541 1.1025 1.2724 0.5716 0.0270 0.2633 881 TRP A CZ2 6571 C CZ3 . TRP A 819 ? 1.8373 1.0437 0.9751 0.7606 0.2797 0.1056 881 TRP A CZ3 6572 C CH2 . TRP A 819 ? 1.5741 1.2183 1.1108 0.8130 0.2238 0.1452 881 TRP A CH2 6573 N N . LYS A 820 ? 2.1665 1.1691 1.2840 0.4797 0.3129 -0.1566 882 LYS A N 6574 C CA . LYS A 820 ? 2.0515 1.5663 1.5287 0.6014 0.5298 0.1263 882 LYS A CA 6575 C C . LYS A 820 ? 1.8753 2.0128 1.2049 0.6324 0.8487 0.0508 882 LYS A C 6576 O O . LYS A 820 ? 1.7477 2.1576 1.1130 0.6671 0.7357 0.2108 882 LYS A O 6577 C CB . LYS A 820 ? 2.1744 2.1171 1.5242 0.5761 0.2885 0.1884 882 LYS A CB 6578 C CG . LYS A 820 ? 2.2152 1.9694 1.8094 0.6470 0.0646 0.1693 882 LYS A CG 6579 C CD . LYS A 820 ? 2.2629 2.3413 1.6906 0.6718 -0.0056 0.0000 882 LYS A CD 6580 C CE . LYS A 820 ? 2.3015 2.0879 1.1871 0.7986 0.4357 -0.4027 882 LYS A CE 6581 N NZ . LYS A 820 ? 2.1131 2.3758 1.5172 0.6329 0.0486 0.1003 882 LYS A NZ 6582 N N . LYS A 821 ? 1.7894 1.2661 1.8524 0.6201 0.5265 0.3853 883 LYS A N 6583 C CA . LYS A 821 ? 1.2399 1.9103 1.7623 0.8692 0.3327 0.4083 883 LYS A CA 6584 C C . LYS A 821 ? 1.3427 1.8594 1.5845 0.5527 0.4728 0.7174 883 LYS A C 6585 O O . LYS A 821 ? 1.4516 1.6034 1.9675 1.0106 0.1672 0.1875 883 LYS A O 6586 C CB . LYS A 821 ? 1.0396 1.8218 1.7230 0.4942 0.2129 0.2197 883 LYS A CB 6587 C CG . LYS A 821 ? 1.0830 2.0040 1.4281 0.2804 0.3509 0.3816 883 LYS A CG 6588 C CD . LYS A 821 ? 1.3619 1.7728 1.2727 0.2905 0.4505 0.2860 883 LYS A CD 6589 C CE . LYS A 821 ? 1.3965 1.6648 1.1266 0.2664 0.2685 0.4109 883 LYS A CE 6590 N NZ . LYS A 821 ? 1.5946 1.7983 1.3206 0.4876 0.1170 0.3567 883 LYS A NZ 6591 N N . LEU A 822 ? 1.1914 1.8105 1.3326 0.5822 0.6986 0.6112 884 LEU A N 6592 C CA . LEU A 822 ? 1.5894 1.6755 1.2627 0.6986 0.5430 0.4144 884 LEU A CA 6593 C C . LEU A 822 ? 1.5224 2.0418 1.6209 0.5550 1.0401 0.4151 884 LEU A C 6594 O O . LEU A 822 ? 1.6794 1.9846 1.8241 0.8267 0.8413 0.3510 884 LEU A O 6595 C CB . LEU A 822 ? 1.1271 1.8296 1.5574 0.5461 0.5965 0.2473 884 LEU A CB 6596 C CG . LEU A 822 ? 1.2584 1.5896 1.4814 0.6037 0.5665 0.1103 884 LEU A CG 6597 C CD1 . LEU A 822 ? 1.1571 1.4099 1.4216 0.4363 0.5655 0.4284 884 LEU A CD1 6598 C CD2 . LEU A 822 ? 1.1082 1.3976 1.7013 0.3835 0.6128 0.3379 884 LEU A CD2 6599 N N . PHE A 823 ? 1.9537 2.3927 1.5837 0.4361 0.9298 0.5070 885 PHE A N 6600 C CA . PHE A 823 ? 2.2458 2.6465 1.9157 1.0914 0.5502 0.3472 885 PHE A CA 6601 C C . PHE A 823 ? 2.2191 2.6807 1.9986 0.9982 0.4554 0.2841 885 PHE A C 6602 O O . PHE A 823 ? 1.8485 3.1304 2.0883 1.5162 -0.0604 -0.0471 885 PHE A O 6603 C CB . PHE A 823 ? 2.1647 2.4712 2.0876 0.7474 0.8343 0.6587 885 PHE A CB 6604 C CG . PHE A 823 ? 1.7560 2.3796 1.9753 0.9389 0.9759 0.4553 885 PHE A CG 6605 C CD1 . PHE A 823 ? 2.1725 2.4016 2.0467 0.9217 0.4875 0.6275 885 PHE A CD1 6606 C CD2 . PHE A 823 ? 1.6231 2.3555 1.6042 0.6441 0.6333 0.5531 885 PHE A CD2 6607 C CE1 . PHE A 823 ? 1.8865 2.3159 1.7481 0.7859 0.6981 0.3529 885 PHE A CE1 6608 C CE2 . PHE A 823 ? 1.4274 2.2907 1.7515 0.7985 0.3999 0.3286 885 PHE A CE2 6609 C CZ . PHE A 823 ? 1.3806 2.2793 1.3291 0.7501 0.6660 0.5429 885 PHE A CZ 6610 N N . GLN A 824 ? 1.9357 2.6464 2.3065 0.8973 0.4161 0.2510 886 GLN A N 6611 C CA . GLN A 824 ? 2.0723 2.6466 2.0464 1.0929 0.5004 0.8338 886 GLN A CA 6612 C C . GLN A 824 ? 1.4510 2.4394 2.3516 0.6420 0.9539 0.9037 886 GLN A C 6613 O O . GLN A 824 ? 1.9313 2.5433 2.6271 0.7277 1.3733 1.2274 886 GLN A O 6614 C CB . GLN A 824 ? 1.8438 1.8268 1.9627 0.9451 0.8322 0.7822 886 GLN A CB 6615 C CG . GLN A 824 ? 1.9708 2.6074 1.4327 0.9546 0.6574 0.9521 886 GLN A CG 6616 C CD . GLN A 824 ? 2.0042 2.0212 1.5723 1.4003 0.8108 0.7733 886 GLN A CD 6617 O OE1 . GLN A 824 ? 1.7890 2.3273 2.1478 1.1513 0.9213 0.5538 886 GLN A OE1 6618 N NE2 . GLN A 824 ? 2.1086 2.1718 1.4520 1.5057 0.4177 0.6513 886 GLN A NE2 6619 N N . ASP A 825 ? 1.2257 2.4409 2.2168 0.6429 0.6292 0.7198 887 ASP A N 6620 C CA . ASP A 825 ? 1.4616 2.1010 2.5057 0.9008 0.5502 0.4799 887 ASP A CA 6621 C C . ASP A 825 ? 0.8751 2.1389 2.3542 0.9705 0.5831 0.2364 887 ASP A C 6622 O O . ASP A 825 ? 1.4839 2.2027 2.1135 0.6650 0.2516 0.0294 887 ASP A O 6623 C CB . ASP A 825 ? 1.4509 2.0840 1.9043 0.9068 0.7379 0.7722 887 ASP A CB 6624 C CG . ASP A 825 ? 1.6069 1.7896 2.2453 0.8859 1.1079 0.7564 887 ASP A CG 6625 O OD1 . ASP A 825 ? 1.3188 1.7956 2.3487 1.1165 0.9294 0.6864 887 ASP A OD1 6626 O OD2 . ASP A 825 ? 1.8102 1.9424 2.0941 0.9051 0.6993 0.4820 887 ASP A OD2 6627 N N . TYR A 826 ? 1.8015 1.7915 2.0236 0.9591 0.2056 0.2455 888 TYR A N 6628 C CA . TYR A 826 ? 1.6884 1.8504 1.8878 0.6105 0.6433 0.7861 888 TYR A CA 6629 C C . TYR A 826 ? 1.6336 2.2523 1.9926 0.7488 0.2369 0.5655 888 TYR A C 6630 O O . TYR A 826 ? 1.1752 2.6789 1.6093 0.4089 0.5832 0.7354 888 TYR A O 6631 C CB . TYR A 826 ? 1.9697 1.3172 2.1614 0.7904 0.3587 0.7714 888 TYR A CB 6632 C CG . TYR A 826 ? 2.0389 1.9482 2.0178 0.6437 0.3405 0.7149 888 TYR A CG 6633 C CD1 . TYR A 826 ? 1.9626 1.8466 2.1368 0.5925 0.3791 0.3115 888 TYR A CD1 6634 C CD2 . TYR A 826 ? 1.8960 1.9311 2.3184 0.6543 0.4461 0.4221 888 TYR A CD2 6635 C CE1 . TYR A 826 ? 1.8386 1.5348 2.3546 0.6128 0.2448 0.4146 888 TYR A CE1 6636 C CE2 . TYR A 826 ? 1.7685 1.9625 2.2045 0.7214 0.4470 0.2895 888 TYR A CE2 6637 C CZ . TYR A 826 ? 1.9185 1.6281 1.9915 0.6693 0.1075 0.7880 888 TYR A CZ 6638 O OH . TYR A 826 ? 2.0090 1.3588 2.0024 0.6790 -0.0785 0.6292 888 TYR A OH 6639 N N . GLY A 827 ? 1.7177 2.5937 2.3125 0.6226 0.6184 0.3554 889 GLY A N 6640 C CA . GLY A 827 ? 1.7576 2.5837 2.0965 0.8405 0.5351 0.6674 889 GLY A CA 6641 C C . GLY A 827 ? 1.4041 2.6038 2.2600 1.1350 0.7439 0.7631 889 GLY A C 6642 O O . GLY A 827 ? 1.3616 2.8947 2.4816 0.9843 1.0799 0.5866 889 GLY A O 6643 N N . GLY A 828 ? 1.9201 2.2057 3.0318 1.1302 0.5139 0.7715 890 GLY A N 6644 C CA . GLY A 828 ? 1.6891 2.2382 2.8640 1.2132 0.4225 0.9463 890 GLY A CA 6645 C C . GLY A 828 ? 1.7657 1.8842 2.8766 1.0818 0.5138 1.1139 890 GLY A C 6646 O O . GLY A 828 ? 1.2515 2.3444 2.3625 0.9815 0.3150 0.8955 890 GLY A O 6647 N N . GLY A 829 ? 1.3057 2.0226 3.0246 0.7241 0.7809 0.8826 891 GLY A N 6648 C CA . GLY A 829 ? 1.6405 2.1373 2.6800 0.5024 1.1435 0.9253 891 GLY A CA 6649 C C . GLY A 829 ? 1.3250 2.5615 3.3818 0.2337 1.4374 0.8394 891 GLY A C 6650 O O . GLY A 829 ? 1.8015 2.4397 3.4816 0.3915 1.3262 -0.1856 891 GLY A O 6651 N N . SER A 830 ? 0.9893 2.4101 3.3272 0.1526 1.1902 0.4144 892 SER A N 6652 C CA . SER A 830 ? 1.1356 2.1667 2.5761 0.3111 0.7015 0.5556 892 SER A CA 6653 C C . SER A 830 ? 1.3690 1.8813 2.5920 0.4895 0.3263 0.5154 892 SER A C 6654 O O . SER A 830 ? 1.9911 1.7901 2.3052 0.1501 0.3115 0.2897 892 SER A O 6655 C CB . SER A 830 ? 1.3088 1.9164 2.4193 0.4726 0.7117 0.5741 892 SER A CB 6656 O OG . SER A 830 ? 0.7829 2.1140 2.9123 0.8202 0.1130 0.4687 892 SER A OG 6657 N N . PHE A 831 ? 0.8034 1.8988 2.6039 0.8426 0.2848 0.5627 893 PHE A N 6658 C CA . PHE A 831 ? 0.7462 1.7487 2.1187 0.6377 0.1837 0.7247 893 PHE A CA 6659 C C . PHE A 831 ? 0.7954 1.8373 2.0507 0.1763 0.2767 0.8350 893 PHE A C 6660 O O . PHE A 831 ? 0.8264 1.7228 2.3134 0.1543 -0.2168 0.6874 893 PHE A O 6661 C CB . PHE A 831 ? 0.4335 1.9364 2.1618 0.3404 0.2985 0.7567 893 PHE A CB 6662 C CG . PHE A 831 ? 0.8527 1.5010 2.1860 0.4516 0.5313 0.8815 893 PHE A CG 6663 C CD1 . PHE A 831 ? 1.1550 1.7540 1.8268 0.3038 0.3504 1.0178 893 PHE A CD1 6664 C CD2 . PHE A 831 ? 1.0395 1.9436 2.2983 0.4066 0.1449 0.6688 893 PHE A CD2 6665 C CE1 . PHE A 831 ? 0.7746 1.5777 2.1407 0.6193 0.4276 0.8029 893 PHE A CE1 6666 C CE2 . PHE A 831 ? 1.2305 1.9228 2.3396 0.3626 0.2301 0.8936 893 PHE A CE2 6667 C CZ . PHE A 831 ? 0.9366 1.5789 2.3330 0.5280 0.0817 0.8065 893 PHE A CZ 6668 N N . SER A 832 ? 0.6600 1.8211 2.0933 0.0049 0.2533 0.8530 894 SER A N 6669 C CA . SER A 832 ? 0.8186 1.3999 1.9168 -0.0695 0.1461 0.5367 894 SER A CA 6670 C C . SER A 832 ? 0.8076 1.3689 1.8070 0.2192 0.0490 0.5537 894 SER A C 6671 O O . SER A 832 ? 0.5635 1.3538 1.5516 0.0637 0.0221 0.4050 894 SER A O 6672 C CB . SER A 832 ? 0.7002 1.4167 1.6985 0.2146 0.1361 0.4426 894 SER A CB 6673 O OG . SER A 832 ? 0.6316 1.1198 1.7142 0.1222 0.2943 0.1133 894 SER A OG 6674 N N . PHE A 833 ? 0.7408 1.3213 1.5929 0.4721 0.0686 0.4235 895 PHE A N 6675 C CA . PHE A 833 ? 0.8106 1.0549 1.4091 0.3402 0.3707 0.5100 895 PHE A CA 6676 C C . PHE A 833 ? 0.7502 1.3347 1.2709 0.2212 0.2383 0.4878 895 PHE A C 6677 O O . PHE A 833 ? 0.7635 0.9341 1.3800 0.1486 0.1887 0.4775 895 PHE A O 6678 C CB . PHE A 833 ? 1.0223 1.1732 1.4387 0.4456 0.0789 0.3695 895 PHE A CB 6679 C CG . PHE A 833 ? 1.1829 1.2006 1.4712 0.2104 0.3054 0.6862 895 PHE A CG 6680 C CD1 . PHE A 833 ? 1.4681 1.6166 1.3640 0.5464 0.3409 0.3509 895 PHE A CD1 6681 C CD2 . PHE A 833 ? 1.1192 1.3275 1.4363 0.4807 0.2118 0.5306 895 PHE A CD2 6682 C CE1 . PHE A 833 ? 0.8520 1.4548 1.5502 0.5712 0.3661 0.4882 895 PHE A CE1 6683 C CE2 . PHE A 833 ? 1.1433 1.4377 1.5587 0.4399 0.3766 0.4910 895 PHE A CE2 6684 C CZ . PHE A 833 ? 1.0413 1.3705 1.4754 0.3362 0.5288 0.5658 895 PHE A CZ 6685 N N . SER A 834 ? 0.7615 0.7485 1.4855 0.2803 0.0542 0.4245 896 SER A N 6686 C CA . SER A 834 ? 0.4986 1.1691 1.4060 0.0306 -0.1975 0.0589 896 SER A CA 6687 C C . SER A 834 ? 0.7779 1.0492 1.2335 0.0209 -0.0319 0.3107 896 SER A C 6688 O O . SER A 834 ? 0.7101 1.0384 1.3715 -0.0198 -0.0362 0.3153 896 SER A O 6689 C CB . SER A 834 ? 0.9415 1.2795 1.1841 0.3088 -0.1947 0.2511 896 SER A CB 6690 O OG . SER A 834 ? 0.9032 1.3467 1.3148 0.1724 -0.4153 0.3558 896 SER A OG 6691 N N . ASN A 835 ? 0.5542 1.0563 1.3051 -0.1344 -0.3359 0.0921 897 ASN A N 6692 C CA . ASN A 835 ? 0.6900 1.0875 1.3124 -0.0346 -0.3420 0.1726 897 ASN A CA 6693 C C . ASN A 835 ? 0.5270 0.6650 1.2077 -0.0838 -0.2045 0.1131 897 ASN A C 6694 O O . ASN A 835 ? 0.5710 0.8145 1.3361 0.0573 -0.1558 0.2077 897 ASN A O 6695 C CB . ASN A 835 ? 0.4616 1.2524 1.4232 0.0462 -0.1218 0.1874 897 ASN A CB 6696 C CG . ASN A 835 ? 0.6724 1.4743 1.1563 0.0754 -0.1025 0.2249 897 ASN A CG 6697 O OD1 . ASN A 835 ? 0.9707 1.3943 1.3131 0.2229 0.2084 0.3794 897 ASN A OD1 6698 N ND2 . ASN A 835 ? 0.5969 1.4977 1.5219 -0.0402 -0.1515 0.3389 897 ASN A ND2 6699 N N . LEU A 836 ? 0.5873 0.8006 1.0652 0.0217 0.0100 0.3248 898 LEU A N 6700 C CA . LEU A 836 ? 0.6185 0.8538 1.0664 0.0589 0.0141 0.3085 898 LEU A CA 6701 C C . LEU A 836 ? 0.5590 0.7618 1.1009 0.0951 -0.0555 0.3274 898 LEU A C 6702 O O . LEU A 836 ? 0.5468 0.7452 1.1309 0.0957 -0.0125 0.3878 898 LEU A O 6703 C CB . LEU A 836 ? 0.6125 0.8393 1.0416 0.0910 -0.1028 0.2829 898 LEU A CB 6704 C CG . LEU A 836 ? 0.6338 0.9526 1.0087 0.1733 -0.1010 0.3108 898 LEU A CG 6705 C CD1 . LEU A 836 ? 0.8331 0.9479 1.0823 0.1238 0.0092 0.3138 898 LEU A CD1 6706 C CD2 . LEU A 836 ? 0.6429 0.9071 1.1826 0.2130 -0.0747 0.1473 898 LEU A CD2 6707 N N . ILE A 837 ? 0.6299 0.7786 0.9785 0.1324 -0.0958 0.3411 899 ILE A N 6708 C CA . ILE A 837 ? 0.7047 0.7698 0.9969 0.1010 -0.0252 0.2649 899 ILE A CA 6709 C C . ILE A 837 ? 0.6332 0.5670 0.9584 0.0405 -0.1092 0.2240 899 ILE A C 6710 O O . ILE A 837 ? 0.6238 0.6917 0.9685 0.0634 -0.1531 0.1789 899 ILE A O 6711 C CB . ILE A 837 ? 0.6452 0.7625 0.8740 0.1342 -0.0581 0.2063 899 ILE A CB 6712 C CG1 . ILE A 837 ? 0.7024 0.9460 1.0092 0.0485 0.0517 0.0595 899 ILE A CG1 6713 C CG2 . ILE A 837 ? 0.6905 0.6348 1.0077 0.0385 -0.0156 0.1468 899 ILE A CG2 6714 C CD1 . ILE A 837 ? 0.6854 0.9423 0.6357 -0.0374 -0.0138 0.1395 899 ILE A CD1 6715 N N . GLN A 838 ? 0.6875 0.7631 0.9073 0.1242 -0.1498 0.1946 900 GLN A N 6716 C CA . GLN A 838 ? 0.6715 0.8704 0.8866 0.1033 -0.1652 0.1416 900 GLN A CA 6717 C C . GLN A 838 ? 0.5990 0.7828 0.8327 -0.0357 -0.1517 0.2293 900 GLN A C 6718 O O . GLN A 838 ? 0.5868 0.6956 0.9815 -0.0491 -0.1812 0.1008 900 GLN A O 6719 C CB . GLN A 838 ? 0.5499 0.8038 0.9697 0.0273 -0.0887 -0.0042 900 GLN A CB 6720 C CG . GLN A 838 ? 0.6367 1.0633 0.9372 0.0250 0.0378 0.1189 900 GLN A CG 6721 C CD . GLN A 838 ? 1.0793 1.0128 1.1761 -0.1292 0.1651 0.2418 900 GLN A CD 6722 O OE1 . GLN A 838 ? 1.0689 1.3565 1.4029 -0.4755 0.1850 0.3323 900 GLN A OE1 6723 N NE2 . GLN A 838 ? 0.8925 1.4375 0.8984 -0.1113 -0.0979 0.1375 900 GLN A NE2 6724 N N . GLY A 839 ? 0.4986 0.7353 0.8778 -0.0823 -0.1240 0.1708 901 GLY A N 6725 C CA . GLY A 839 ? 0.5456 0.7987 0.9122 0.0034 -0.2008 0.1448 901 GLY A CA 6726 C C . GLY A 839 ? 0.5699 0.7331 0.8987 -0.0646 -0.2103 0.0729 901 GLY A C 6727 O O . GLY A 839 ? 0.5090 0.8800 0.9025 -0.0438 -0.2141 0.0924 901 GLY A O 6728 N N . VAL A 840 ? 0.5627 0.7066 0.8522 0.0748 -0.0763 0.1055 902 VAL A N 6729 C CA . VAL A 840 ? 0.6509 0.6376 0.7607 -0.0067 -0.1094 0.1154 902 VAL A CA 6730 C C . VAL A 840 ? 0.5558 0.6816 0.6534 -0.0383 -0.1639 0.0426 902 VAL A C 6731 O O . VAL A 840 ? 0.4994 0.6871 0.7144 0.0144 -0.0521 0.0657 902 VAL A O 6732 C CB . VAL A 840 ? 0.6160 0.6826 0.8378 0.1562 -0.1402 0.0598 902 VAL A CB 6733 C CG1 . VAL A 840 ? 0.6642 0.7105 0.8902 0.0731 -0.0586 0.1713 902 VAL A CG1 6734 C CG2 . VAL A 840 ? 0.6263 0.7173 0.8149 0.0494 -0.1461 0.1240 902 VAL A CG2 6735 N N . THR A 841 ? 0.6301 0.5667 0.8200 0.0194 -0.0729 0.1144 903 THR A N 6736 C CA . THR A 841 ? 0.6023 0.7149 0.6927 -0.0473 -0.1042 0.0488 903 THR A CA 6737 C C . THR A 841 ? 0.5636 0.6865 0.7268 -0.0025 -0.0621 0.0449 903 THR A C 6738 O O . THR A 841 ? 0.5876 0.6465 0.8361 -0.0693 -0.0572 0.0783 903 THR A O 6739 C CB . THR A 841 ? 0.6136 0.7093 0.6588 -0.0918 -0.1263 0.0801 903 THR A CB 6740 O OG1 . THR A 841 ? 0.6099 0.6722 0.6754 0.0128 -0.1244 0.1135 903 THR A OG1 6741 C CG2 . THR A 841 ? 0.5598 0.7568 0.8086 -0.0754 -0.1015 -0.0362 903 THR A CG2 6742 N N . ARG A 842 ? 0.5164 0.6738 0.7783 -0.0124 -0.0142 0.0445 904 ARG A N 6743 C CA . ARG A 842 ? 0.6495 0.7352 0.7451 -0.0379 -0.0671 0.0655 904 ARG A CA 6744 C C . ARG A 842 ? 0.5917 0.7108 0.6785 -0.1089 -0.0994 0.0913 904 ARG A C 6745 O O . ARG A 842 ? 0.5394 0.6622 0.7477 -0.0769 -0.0791 0.0403 904 ARG A O 6746 C CB . ARG A 842 ? 0.4943 0.7866 0.7873 -0.0218 -0.1663 0.0619 904 ARG A CB 6747 C CG . ARG A 842 ? 0.6817 0.8308 0.7186 -0.0166 -0.0925 0.0105 904 ARG A CG 6748 C CD . ARG A 842 ? 0.8240 0.6824 0.9009 0.0309 0.0368 0.1168 904 ARG A CD 6749 N NE . ARG A 842 ? 0.7678 0.7629 0.8851 -0.0092 -0.0670 0.1230 904 ARG A NE 6750 C CZ . ARG A 842 ? 0.7820 0.8562 0.8690 -0.0738 -0.2466 0.0845 904 ARG A CZ 6751 N NH1 . ARG A 842 ? 0.6960 0.9130 0.9334 -0.1324 -0.2188 0.0415 904 ARG A NH1 6752 N NH2 . ARG A 842 ? 0.8191 0.8240 0.8735 0.0630 -0.1223 0.0394 904 ARG A NH2 6753 N N . ARG A 843 ? 0.5099 0.6891 0.7111 -0.0830 -0.1408 0.0009 905 ARG A N 6754 C CA . ARG A 843 ? 0.5049 0.6795 0.6193 -0.0598 -0.1849 -0.0266 905 ARG A CA 6755 C C . ARG A 843 ? 0.5889 0.6655 0.6974 -0.0204 -0.0810 0.0731 905 ARG A C 6756 O O . ARG A 843 ? 0.6122 0.7648 0.7029 0.0016 -0.0934 0.0184 905 ARG A O 6757 C CB . ARG A 843 ? 0.6141 0.6992 0.6432 -0.0759 -0.1193 0.0387 905 ARG A CB 6758 C CG . ARG A 843 ? 0.4849 0.6934 0.6825 0.0027 -0.1794 0.0065 905 ARG A CG 6759 C CD . ARG A 843 ? 0.5428 0.7165 0.6859 0.0507 -0.1169 0.0748 905 ARG A CD 6760 N NE . ARG A 843 ? 0.5362 0.7161 0.6299 -0.0460 -0.1676 0.0040 905 ARG A NE 6761 C CZ . ARG A 843 ? 0.5760 0.6568 0.5864 0.0150 -0.1473 0.0495 905 ARG A CZ 6762 N NH1 . ARG A 843 ? 0.4158 0.6328 0.6647 -0.0073 -0.0644 0.1017 905 ARG A NH1 6763 N NH2 . ARG A 843 ? 0.4466 0.6278 0.7175 0.0065 -0.0820 0.0348 905 ARG A NH2 6764 N N . PHE A 844 ? 0.6247 0.7598 0.6101 -0.0520 -0.1030 -0.0309 906 PHE A N 6765 C CA . PHE A 844 ? 0.6715 0.6933 0.7021 -0.0363 -0.1424 0.0812 906 PHE A CA 6766 C C . PHE A 844 ? 0.5964 0.7213 0.7499 -0.0745 -0.0952 0.0272 906 PHE A C 6767 O O . PHE A 844 ? 0.5850 0.6250 0.8062 -0.0281 -0.1527 -0.0830 906 PHE A O 6768 C CB . PHE A 844 ? 0.6491 0.6866 0.7002 -0.0531 -0.1798 0.0427 906 PHE A CB 6769 C CG . PHE A 844 ? 0.5107 0.6486 0.6798 -0.0816 -0.1846 0.0445 906 PHE A CG 6770 C CD1 . PHE A 844 ? 0.8308 0.6820 0.7188 0.0038 -0.1126 0.0691 906 PHE A CD1 6771 C CD2 . PHE A 844 ? 0.6499 0.6524 0.7380 -0.0548 -0.0620 0.0676 906 PHE A CD2 6772 C CE1 . PHE A 844 ? 0.6935 0.7277 0.7698 -0.0047 -0.0129 0.0278 906 PHE A CE1 6773 C CE2 . PHE A 844 ? 0.5675 0.7183 0.7225 0.0506 -0.1160 0.0600 906 PHE A CE2 6774 C CZ . PHE A 844 ? 0.6298 0.6487 0.6721 -0.0647 -0.0650 0.0501 906 PHE A CZ 6775 N N . SER A 845 ? 0.6141 0.6737 0.7800 -0.0209 -0.1469 -0.0314 907 SER A N 6776 C CA . SER A 845 ? 0.5753 0.6809 0.7856 -0.0436 -0.1440 0.0645 907 SER A CA 6777 C C . SER A 845 ? 0.5702 0.6522 0.7242 -0.0643 -0.0370 0.1321 907 SER A C 6778 O O . SER A 845 ? 0.4592 0.7558 0.8269 -0.1633 -0.0304 0.0865 907 SER A O 6779 C CB . SER A 845 ? 0.5675 0.7414 0.7860 0.0137 -0.1248 0.0421 907 SER A CB 6780 O OG . SER A 845 ? 0.5107 0.6971 0.8880 0.0349 -0.1234 0.0375 907 SER A OG 6781 N N . SER A 846 ? 0.5419 0.6670 0.8616 -0.0909 -0.0305 0.0607 908 SER A N 6782 C CA . SER A 846 ? 0.6130 0.7404 0.8645 -0.1311 -0.1549 0.0034 908 SER A CA 6783 C C . SER A 846 ? 0.6849 0.7888 0.8434 -0.1098 -0.1794 -0.0245 908 SER A C 6784 O O . SER A 846 ? 0.6540 0.6708 0.9073 -0.1112 -0.1716 0.0303 908 SER A O 6785 C CB . SER A 846 ? 0.7232 0.6551 0.9000 -0.1193 -0.2386 -0.0528 908 SER A CB 6786 O OG . SER A 846 ? 0.8109 0.6716 0.9150 -0.0910 -0.2108 -0.0528 908 SER A OG 6787 N N . GLU A 847 ? 0.7469 0.7670 0.8669 -0.1788 -0.2506 -0.0121 909 GLU A N 6788 C CA . GLU A 847 ? 0.6883 0.7611 1.0649 -0.2362 -0.2626 -0.0056 909 GLU A CA 6789 C C . GLU A 847 ? 0.8303 0.7974 1.0651 -0.1786 -0.2105 0.0785 909 GLU A C 6790 O O . GLU A 847 ? 0.6731 0.9017 0.9991 -0.1615 -0.2378 0.0949 909 GLU A O 6791 C CB . GLU A 847 ? 0.6905 0.8069 1.0728 -0.1082 -0.0811 0.0452 909 GLU A CB 6792 C CG . GLU A 847 ? 0.8566 0.8194 1.0570 -0.1659 -0.1005 0.1160 909 GLU A CG 6793 C CD . GLU A 847 ? 0.8989 0.8832 0.9420 -0.1281 -0.0908 0.0685 909 GLU A CD 6794 O OE1 . GLU A 847 ? 0.7474 0.9717 0.9264 -0.1402 -0.0030 0.1462 909 GLU A OE1 6795 O OE2 . GLU A 847 ? 1.0079 0.9967 0.9517 -0.3038 -0.3890 0.1935 909 GLU A OE2 6796 N N . PHE A 848 ? 0.8013 0.7216 1.0104 -0.2091 -0.2485 0.0060 910 PHE A N 6797 C CA . PHE A 848 ? 0.7502 0.7598 1.0039 -0.1385 -0.3404 0.0114 910 PHE A CA 6798 C C . PHE A 848 ? 0.8332 0.6742 0.7678 -0.1190 -0.2135 0.0176 910 PHE A C 6799 O O . PHE A 848 ? 0.6690 0.6505 0.8113 -0.0419 -0.2513 0.0143 910 PHE A O 6800 C CB . PHE A 848 ? 0.7219 0.8837 1.0447 -0.0657 -0.3268 0.0414 910 PHE A CB 6801 C CG . PHE A 848 ? 0.5908 0.8305 1.0846 0.1261 -0.2203 0.0047 910 PHE A CG 6802 C CD1 . PHE A 848 ? 0.9411 1.0218 1.0493 -0.1087 -0.2267 0.0138 910 PHE A CD1 6803 C CD2 . PHE A 848 ? 0.7059 0.8749 1.1108 -0.0076 -0.2382 -0.0744 910 PHE A CD2 6804 C CE1 . PHE A 848 ? 0.9635 0.8242 1.0386 -0.2443 -0.2348 -0.2054 910 PHE A CE1 6805 C CE2 . PHE A 848 ? 0.5686 0.9356 1.1226 0.0443 -0.2683 -0.0435 910 PHE A CE2 6806 C CZ . PHE A 848 ? 0.9576 0.9644 1.0852 -0.2031 -0.2308 0.0192 910 PHE A CZ 6807 N N . GLU A 849 ? 0.6619 0.6346 0.8017 -0.0731 -0.2532 0.0847 911 GLU A N 6808 C CA . GLU A 849 ? 0.7213 0.6842 0.8337 -0.0152 -0.1727 0.0390 911 GLU A CA 6809 C C . GLU A 849 ? 0.6914 0.6811 0.8491 -0.0948 -0.2413 0.0741 911 GLU A C 6810 O O . GLU A 849 ? 0.8059 0.7539 0.8353 -0.0708 -0.2049 0.0124 911 GLU A O 6811 C CB . GLU A 849 ? 0.7030 0.7695 0.8222 -0.0217 -0.2318 0.0146 911 GLU A CB 6812 C CG . GLU A 849 ? 0.7174 0.6853 0.8111 -0.0769 -0.0242 0.0925 911 GLU A CG 6813 C CD . GLU A 849 ? 0.7173 0.7324 0.9354 -0.0258 -0.1730 0.0338 911 GLU A CD 6814 O OE1 . GLU A 849 ? 0.6466 0.5968 0.9371 0.0084 -0.2069 -0.0133 911 GLU A OE1 6815 O OE2 . GLU A 849 ? 0.6883 0.6238 0.9040 -0.0384 -0.2345 -0.0959 911 GLU A OE2 6816 N N . LEU A 850 ? 0.8151 0.7070 0.7972 -0.0963 -0.1901 0.0195 912 LEU A N 6817 C CA . LEU A 850 ? 0.7869 0.7415 0.8801 -0.0479 -0.1572 0.0192 912 LEU A CA 6818 C C . LEU A 850 ? 0.7901 0.6042 0.8831 -0.0265 -0.1954 0.0842 912 LEU A C 6819 O O . LEU A 850 ? 0.7689 0.7462 0.9161 -0.0474 -0.2038 0.0569 912 LEU A O 6820 C CB . LEU A 850 ? 0.8705 0.7533 0.9688 0.0153 -0.0843 0.1198 912 LEU A CB 6821 C CG . LEU A 850 ? 0.7487 0.7153 0.9039 -0.0797 -0.1537 0.0915 912 LEU A CG 6822 C CD1 . LEU A 850 ? 0.7681 0.8319 0.7911 -0.1370 -0.1627 0.1448 912 LEU A CD1 6823 C CD2 . LEU A 850 ? 0.8851 0.7716 0.7726 -0.0380 -0.1376 0.0259 912 LEU A CD2 6824 N N . GLN A 851 ? 0.8247 0.5946 1.0980 -0.0774 -0.2463 -0.0334 913 GLN A N 6825 C CA . GLN A 851 ? 0.8931 0.7832 1.0072 -0.0633 -0.1047 -0.0960 913 GLN A CA 6826 C C . GLN A 851 ? 1.1351 0.7520 0.8461 0.0381 -0.1596 -0.0318 913 GLN A C 6827 O O . GLN A 851 ? 1.2562 0.7894 0.9729 0.1167 -0.2563 -0.1404 913 GLN A O 6828 C CB . GLN A 851 ? 0.9041 0.8890 1.2055 -0.0573 -0.1681 -0.0844 913 GLN A CB 6829 C CG . GLN A 851 ? 1.0355 0.9546 1.3267 -0.0885 -0.2008 0.0719 913 GLN A CG 6830 C CD . GLN A 851 ? 0.9246 1.4148 1.0376 -0.1731 -0.1892 0.3206 913 GLN A CD 6831 O OE1 . GLN A 851 ? 0.9404 1.2046 1.1333 -0.1081 -0.0635 0.3008 913 GLN A OE1 6832 N NE2 . GLN A 851 ? 0.8319 1.4894 1.0577 -0.1630 -0.4135 0.1353 913 GLN A NE2 6833 N N . GLN A 852 ? 1.0225 0.7269 0.9152 0.0595 -0.2535 -0.0065 914 GLN A N 6834 C CA . GLN A 852 ? 0.9691 0.7871 0.9056 -0.0150 -0.2901 -0.0313 914 GLN A CA 6835 C C . GLN A 852 ? 1.0353 0.7734 0.8767 0.0430 -0.2386 -0.0099 914 GLN A C 6836 O O . GLN A 852 ? 1.0974 0.7907 0.9336 0.2192 -0.1650 0.2123 914 GLN A O 6837 C CB . GLN A 852 ? 1.0757 0.8413 0.9126 0.1477 -0.2228 0.1064 914 GLN A CB 6838 C CG . GLN A 852 ? 0.8225 0.8715 1.0080 -0.0647 -0.2335 0.0682 914 GLN A CG 6839 C CD . GLN A 852 ? 1.1467 0.8902 1.0676 0.1003 -0.2683 0.2185 914 GLN A CD 6840 O OE1 . GLN A 852 ? 1.2533 0.8269 1.4742 -0.1387 -0.0802 0.0067 914 GLN A OE1 6841 N NE2 . GLN A 852 ? 1.2725 1.0843 0.8720 0.1722 -0.3229 0.0154 914 GLN A NE2 6842 N N . LEU A 853 ? 0.8564 0.7033 0.8631 0.0191 -0.2184 0.0371 915 LEU A N 6843 C CA . LEU A 853 ? 0.8437 0.7376 0.8858 0.0543 -0.1364 0.0730 915 LEU A CA 6844 C C . LEU A 853 ? 0.9191 0.6923 1.0639 -0.0287 -0.2040 0.0566 915 LEU A C 6845 O O . LEU A 853 ? 1.1075 0.8028 0.9535 0.0248 -0.0765 -0.0169 915 LEU A O 6846 C CB . LEU A 853 ? 0.8862 0.7060 0.9675 -0.1351 -0.0970 0.0215 915 LEU A CB 6847 C CG . LEU A 853 ? 0.8754 0.7896 0.8845 0.0618 -0.0080 0.1035 915 LEU A CG 6848 C CD1 . LEU A 853 ? 0.8764 0.6388 0.9230 0.0085 0.0144 0.0375 915 LEU A CD1 6849 C CD2 . LEU A 853 ? 0.9020 0.5738 0.9401 -0.0629 -0.0100 0.1646 915 LEU A CD2 6850 N N . GLU A 854 ? 1.0047 0.7615 1.0865 -0.0802 -0.1418 0.0474 916 GLU A N 6851 C CA . GLU A 854 ? 1.0221 0.7371 0.9957 -0.0519 -0.2782 0.0457 916 GLU A CA 6852 C C . GLU A 854 ? 1.1297 0.6859 1.0863 0.0981 -0.1895 -0.0563 916 GLU A C 6853 O O . GLU A 854 ? 1.1874 0.8038 1.0986 0.2326 -0.2665 -0.0249 916 GLU A O 6854 C CB . GLU A 854 ? 1.0322 0.7298 0.9900 -0.0378 -0.2839 0.0679 916 GLU A CB 6855 C CG . GLU A 854 ? 1.0640 0.7411 1.0257 -0.0039 -0.0912 -0.0518 916 GLU A CG 6856 C CD . GLU A 854 ? 1.2076 0.7478 1.0714 0.0334 -0.0897 -0.0030 916 GLU A CD 6857 O OE1 . GLU A 854 ? 1.0111 0.6042 0.8968 -0.0560 -0.2864 0.0251 916 GLU A OE1 6858 O OE2 . GLU A 854 ? 1.3300 0.8751 1.0823 0.0742 -0.1015 -0.0274 916 GLU A OE2 6859 N N . GLN A 855 ? 1.2297 0.8074 0.9853 0.1643 -0.1372 0.0405 917 GLN A N 6860 C CA . GLN A 855 ? 1.3148 1.0404 1.0747 0.1402 -0.3299 -0.0753 917 GLN A CA 6861 C C . GLN A 855 ? 1.3007 0.9297 1.1549 0.1063 -0.3459 -0.0530 917 GLN A C 6862 O O . GLN A 855 ? 1.3147 1.1063 0.8244 0.1139 -0.4357 0.0331 917 GLN A O 6863 C CB . GLN A 855 ? 1.1043 0.9402 1.1523 0.0876 -0.1769 -0.0995 917 GLN A CB 6864 C CG . GLN A 855 ? 1.1959 0.7721 1.1140 0.0464 -0.2626 0.0163 917 GLN A CG 6865 C CD . GLN A 855 ? 1.2662 0.8987 1.3803 -0.2173 -0.1748 -0.0785 917 GLN A CD 6866 O OE1 . GLN A 855 ? 1.3754 1.1734 1.2733 0.0917 -0.5120 -0.1939 917 GLN A OE1 6867 N NE2 . GLN A 855 ? 1.0630 1.4613 0.8219 -0.1052 -0.1770 -0.0890 917 GLN A NE2 6868 N N . PHE A 856 ? 1.1232 0.8026 1.0392 0.1941 -0.2178 0.0363 918 PHE A N 6869 C CA . PHE A 856 ? 1.1691 0.8856 1.0831 0.1586 -0.1678 -0.0366 918 PHE A CA 6870 C C . PHE A 856 ? 1.2656 0.9148 0.9934 0.2613 -0.0697 -0.0756 918 PHE A C 6871 O O . PHE A 856 ? 1.2993 0.8654 0.9750 0.4279 -0.1824 -0.1320 918 PHE A O 6872 C CB . PHE A 856 ? 1.0898 0.8234 1.0625 0.3397 -0.1614 -0.0913 918 PHE A CB 6873 C CG . PHE A 856 ? 1.2154 0.8227 1.0437 0.3238 0.0073 -0.0523 918 PHE A CG 6874 C CD1 . PHE A 856 ? 1.3733 0.7813 1.0190 0.2734 -0.0369 0.0790 918 PHE A CD1 6875 C CD2 . PHE A 856 ? 1.3961 0.9050 1.0680 0.2456 -0.0454 -0.1617 918 PHE A CD2 6876 C CE1 . PHE A 856 ? 1.4063 0.8700 0.8612 0.2708 0.0310 0.1629 918 PHE A CE1 6877 C CE2 . PHE A 856 ? 1.3457 0.6975 0.8791 0.3977 0.0397 -0.2367 918 PHE A CE2 6878 C CZ . PHE A 856 ? 1.2067 0.8880 0.9877 0.2457 0.0678 0.0539 918 PHE A CZ 6879 N N . LYS A 857 ? 1.3772 0.8429 1.0370 0.2718 -0.1146 0.0058 919 LYS A N 6880 C CA . LYS A 857 ? 1.2741 0.8465 1.1247 0.2251 -0.1760 -0.0265 919 LYS A CA 6881 C C . LYS A 857 ? 1.3544 0.8401 0.9163 0.3588 -0.3149 0.0175 919 LYS A C 6882 O O . LYS A 857 ? 1.4320 0.7668 1.2245 0.2969 -0.1235 -0.1190 919 LYS A O 6883 C CB . LYS A 857 ? 1.2102 0.8226 1.2201 0.2645 0.0327 0.0307 919 LYS A CB 6884 C CG . LYS A 857 ? 1.1841 0.7903 1.1339 0.0401 -0.1606 0.1271 919 LYS A CG 6885 C CD . LYS A 857 ? 1.0267 0.7282 1.1186 -0.0518 -0.0888 0.0113 919 LYS A CD 6886 C CE . LYS A 857 ? 1.0817 0.6803 0.9948 -0.1281 -0.0620 0.1008 919 LYS A CE 6887 N NZ . LYS A 857 ? 1.2710 0.5194 1.0162 -0.0540 -0.0673 0.1510 919 LYS A NZ 6888 N N . LYS A 858 ? 1.2872 0.8966 1.2017 0.2980 -0.2043 -0.2721 920 LYS A N 6889 C CA . LYS A 858 ? 1.2335 0.8063 1.3914 0.1753 -0.1758 -0.2627 920 LYS A CA 6890 C C . LYS A 858 ? 1.2040 0.8254 1.0402 -0.1309 -0.4794 -0.7022 920 LYS A C 6891 O O . LYS A 858 ? 1.4688 0.7950 1.0671 -0.0869 -0.4612 -0.7415 920 LYS A O 6892 C CB . LYS A 858 ? 1.3037 0.7821 1.3621 0.0153 -0.4538 -0.2136 920 LYS A CB 6893 C CG . LYS A 858 ? 1.4609 0.9417 1.4680 0.2831 -0.5489 0.1165 920 LYS A CG 6894 C CD . LYS A 858 ? 1.5362 0.9478 1.4575 0.2040 -0.2358 0.1668 920 LYS A CD 6895 C CE . LYS A 858 ? 1.5269 0.9752 1.4382 0.1785 -0.0301 0.1004 920 LYS A CE 6896 N NZ . LYS A 858 ? 1.5428 1.0110 1.4608 0.1734 0.0217 -0.0834 920 LYS A NZ 6897 N N . ASN A 859 ? 1.6462 0.8664 1.3395 -0.0082 0.0184 -0.3247 921 ASN A N 6898 C CA . ASN A 859 ? 1.9113 1.1800 1.2814 0.0266 0.1200 -0.1832 921 ASN A CA 6899 C C . ASN A 859 ? 1.8595 1.3453 1.2008 -0.0114 0.2642 0.0013 921 ASN A C 6900 O O . ASN A 859 ? 1.9973 0.8555 1.2459 -0.0870 0.3044 -0.2886 921 ASN A O 6901 C CB . ASN A 859 ? 1.7407 0.9854 1.2731 0.3444 -0.1243 -0.1749 921 ASN A CB 6902 C CG . ASN A 859 ? 1.4130 1.0765 1.2543 0.2561 -0.0023 -0.0226 921 ASN A CG 6903 O OD1 . ASN A 859 ? 1.3007 1.3301 0.9087 -0.0682 0.1390 -0.2740 921 ASN A OD1 6904 N ND2 . ASN A 859 ? 1.0604 0.8919 1.5013 0.0858 -0.3219 -0.0668 921 ASN A ND2 6905 N N . ASN A 860 ? 2.1415 0.9494 1.4919 0.4078 0.0580 -0.0344 922 ASN A N 6906 C CA . ASN A 860 ? 1.9213 0.9226 1.4367 0.6441 0.1590 -0.4370 922 ASN A CA 6907 C C . ASN A 860 ? 2.0383 0.8904 1.8081 0.6689 0.2235 -0.5422 922 ASN A C 6908 O O . ASN A 860 ? 2.0308 0.8548 1.9347 0.2635 -0.1478 -0.2615 922 ASN A O 6909 C CB . ASN A 860 ? 1.9387 1.0066 1.6338 0.4419 0.0224 -0.1710 922 ASN A CB 6910 C CG . ASN A 860 ? 1.7594 0.7979 1.5400 0.5552 0.0147 0.1073 922 ASN A CG 6911 O OD1 . ASN A 860 ? 1.5198 1.0868 1.1308 0.1462 -0.0586 -0.1658 922 ASN A OD1 6912 N ND2 . ASN A 860 ? 1.3498 0.8407 1.4094 0.3655 -0.0944 0.0989 922 ASN A ND2 6913 N N . MET A 861 ? 2.3004 1.7669 1.9028 0.4317 -0.1610 -0.5619 923 MET A N 6914 C CA . MET A 861 ? 2.2651 1.7042 2.0179 0.5212 0.2070 -0.2929 923 MET A CA 6915 C C . MET A 861 ? 2.2509 1.7849 1.5165 0.8179 0.3073 -0.1395 923 MET A C 6916 O O . MET A 861 ? 1.7516 1.5770 1.6683 0.4622 0.7857 0.2321 923 MET A O 6917 C CB . MET A 861 ? 2.5132 1.5785 1.7959 0.5128 0.2809 -0.3952 923 MET A CB 6918 C CG . MET A 861 ? 2.4505 1.3813 2.1280 0.3803 0.1827 -0.0387 923 MET A CG 6919 S SD . MET A 861 ? 2.0266 1.6973 2.0876 0.4916 0.3236 -0.1421 923 MET A SD 6920 C CE . MET A 861 ? 2.0829 1.7945 2.1277 0.4903 0.1675 -0.0553 923 MET A CE 6921 N N . ASP A 862 ? 2.0507 1.6597 1.7438 0.6347 0.4953 -0.2335 924 ASP A N 6922 C CA . ASP A 862 ? 2.0816 1.5537 1.8504 0.4834 0.3578 -0.2987 924 ASP A CA 6923 C C . ASP A 862 ? 2.4280 1.5647 1.8288 0.5687 0.2363 -0.2664 924 ASP A C 6924 O O . ASP A 862 ? 2.1650 1.3550 2.1067 0.4949 0.1271 -0.1000 924 ASP A O 6925 C CB . ASP A 862 ? 2.0272 1.4639 1.9193 0.2515 0.1994 -0.4938 924 ASP A CB 6926 C CG . ASP A 862 ? 2.2802 1.4380 2.0859 0.3719 0.3181 -0.1645 924 ASP A CG 6927 O OD1 . ASP A 862 ? 2.3574 0.9941 1.6414 -0.0051 0.7335 -0.3160 924 ASP A OD1 6928 O OD2 . ASP A 862 ? 2.7324 1.0967 2.1691 0.3182 0.3166 0.4317 924 ASP A OD2 6929 N N . VAL A 863 ? 2.0105 1.7803 1.7100 0.9321 0.3675 -0.2485 925 VAL A N 6930 C CA . VAL A 863 ? 2.2747 1.7387 1.6144 0.8427 0.3218 -0.0088 925 VAL A CA 6931 C C . VAL A 863 ? 2.2982 1.4312 1.7780 0.8385 0.2117 -0.2243 925 VAL A C 6932 O O . VAL A 863 ? 2.3331 1.2699 1.6907 0.9115 0.1100 -0.1295 925 VAL A O 6933 C CB . VAL A 863 ? 2.2522 1.7139 1.5351 0.7288 0.2952 0.0984 925 VAL A CB 6934 C CG1 . VAL A 863 ? 2.2028 1.8414 1.5751 0.6040 0.2438 0.1860 925 VAL A CG1 6935 C CG2 . VAL A 863 ? 2.1639 1.4446 1.8968 0.9219 0.2544 -0.0625 925 VAL A CG2 6936 N N . GLY A 864 ? 2.0217 1.2023 1.6625 0.6801 -0.0574 -0.3020 926 GLY A N 6937 C CA . GLY A 864 ? 1.6675 1.2158 1.4602 0.6646 0.1811 0.0667 926 GLY A CA 6938 C C . GLY A 864 ? 1.4097 1.3606 1.4785 0.5657 0.1068 -0.1929 926 GLY A C 6939 O O . GLY A 864 ? 1.9048 1.3678 1.7670 0.6681 0.1119 0.0248 926 GLY A O 6940 N N . PHE A 865 ? 1.3430 1.3608 1.5986 0.4668 -0.0820 0.0981 927 PHE A N 6941 C CA . PHE A 865 ? 1.3629 1.1889 1.5176 0.6237 0.1589 0.2737 927 PHE A CA 6942 C C . PHE A 865 ? 1.6880 1.2615 1.8403 0.4541 -0.1706 0.2054 927 PHE A C 6943 O O . PHE A 865 ? 1.9119 1.2968 1.9717 0.2545 -0.2742 0.3509 927 PHE A O 6944 C CB . PHE A 865 ? 1.1920 0.8439 1.4553 0.4193 0.1815 0.5088 927 PHE A CB 6945 C CG . PHE A 865 ? 1.2325 1.0673 1.6274 0.3574 0.2824 0.3200 927 PHE A CG 6946 C CD1 . PHE A 865 ? 1.3416 1.1318 1.8517 0.3505 0.3913 0.4374 927 PHE A CD1 6947 C CD2 . PHE A 865 ? 1.1152 1.1268 1.5713 0.3647 0.4098 0.4185 927 PHE A CD2 6948 C CE1 . PHE A 865 ? 1.3782 0.8042 2.0900 0.5474 0.2091 0.4076 927 PHE A CE1 6949 C CE2 . PHE A 865 ? 1.2867 1.2047 1.4910 0.3358 0.1293 0.4686 927 PHE A CE2 6950 C CZ . PHE A 865 ? 1.3223 1.2229 1.3400 0.3546 0.2373 0.5034 927 PHE A CZ 6951 N N . GLY A 866 ? 1.4695 1.5421 2.2923 0.5096 -0.0710 -0.0224 928 GLY A N 6952 C CA . GLY A 866 ? 1.1882 1.4475 2.1298 0.6236 0.5077 0.1794 928 GLY A CA 6953 C C . GLY A 866 ? 1.2792 1.7001 2.0882 0.3130 0.1738 0.3899 928 GLY A C 6954 O O . GLY A 866 ? 1.0852 1.1955 2.4439 0.6981 0.2174 0.7276 928 GLY A O 6955 N N . SER A 867 ? 1.3186 1.6413 1.9955 0.3271 0.1375 0.4757 929 SER A N 6956 C CA . SER A 867 ? 1.2008 1.2945 1.8538 0.3490 0.1875 0.5643 929 SER A CA 6957 C C . SER A 867 ? 1.1510 1.2342 1.9151 0.4555 -0.0163 0.3558 929 SER A C 6958 O O . SER A 867 ? 1.1959 1.1038 1.8466 0.2586 -0.0036 0.3360 929 SER A O 6959 C CB . SER A 867 ? 1.1313 1.4042 1.7977 0.1490 -0.0095 0.3530 929 SER A CB 6960 O OG . SER A 867 ? 0.8369 1.5860 1.5547 -0.1167 0.1390 0.3910 929 SER A OG 6961 N N . GLY A 868 ? 1.0905 0.7535 1.6404 0.3802 0.1418 0.3272 930 GLY A N 6962 C CA . GLY A 868 ? 0.9933 1.2024 1.3824 0.3014 0.0701 0.4475 930 GLY A CA 6963 C C . GLY A 868 ? 1.0603 1.2228 1.2614 0.3281 0.1008 0.4653 930 GLY A C 6964 O O . GLY A 868 ? 0.9736 1.4426 1.0042 0.0175 0.0958 0.5193 930 GLY A O 6965 N N . THR A 869 ? 1.2874 1.1354 1.4013 0.3323 0.1100 0.5838 931 THR A N 6966 C CA . THR A 869 ? 0.9998 0.9730 1.6562 0.5655 0.1416 0.4744 931 THR A CA 6967 C C . THR A 869 ? 1.4302 1.4098 1.3690 0.1020 0.2861 0.2958 931 THR A C 6968 O O . THR A 869 ? 1.5193 1.6093 1.8904 -0.1298 0.1494 0.5020 931 THR A O 6969 C CB . THR A 869 ? 1.0134 0.7803 1.5561 0.5297 0.3351 0.3190 931 THR A CB 6970 O OG1 . THR A 869 ? 1.2863 1.1226 1.4838 0.4832 0.3540 0.2802 931 THR A OG1 6971 C CG2 . THR A 869 ? 0.7152 0.9996 1.3456 0.4194 0.1295 0.2363 931 THR A CG2 6972 N N . ARG A 870 ? 1.0434 1.0702 1.3407 0.2642 0.0238 0.4998 932 ARG A N 6973 C CA . ARG A 870 ? 1.3499 1.1679 1.1476 -0.0894 0.1954 0.4352 932 ARG A CA 6974 C C . ARG A 870 ? 1.3708 0.9564 1.0563 0.2777 0.0444 0.5842 932 ARG A C 6975 O O . ARG A 870 ? 1.0657 0.8441 1.1087 0.1216 0.0614 0.2098 932 ARG A O 6976 C CB . ARG A 870 ? 1.3839 1.0432 1.3224 -0.0740 0.0265 0.3907 932 ARG A CB 6977 C CG . ARG A 870 ? 1.3233 1.5019 1.4335 -0.0495 -0.1596 0.1522 932 ARG A CG 6978 C CD . ARG A 870 ? 1.2407 1.0805 1.6016 0.3352 0.0517 0.1651 932 ARG A CD 6979 N NE . ARG A 870 ? 1.3498 1.2076 1.4157 0.3143 -0.2224 0.4079 932 ARG A NE 6980 C CZ . ARG A 870 ? 1.7564 1.2936 1.5252 0.1652 -0.0626 0.2221 932 ARG A CZ 6981 N NH1 . ARG A 870 ? 1.7838 1.1105 1.5080 0.3100 -0.1286 0.2911 932 ARG A NH1 6982 N NH2 . ARG A 870 ? 1.5236 0.9005 1.7219 0.6150 0.0906 0.1281 932 ARG A NH2 6983 N N . ALA A 871 ? 0.9343 0.9024 1.3499 0.0901 0.1610 0.3462 933 ALA A N 6984 C CA . ALA A 871 ? 0.7803 0.9864 1.1416 0.1567 0.1082 0.3854 933 ALA A CA 6985 C C . ALA A 871 ? 0.8907 0.8811 1.0757 0.0860 -0.0874 0.2697 933 ALA A C 6986 O O . ALA A 871 ? 0.6963 0.9898 1.1856 0.0324 0.0028 0.4193 933 ALA A O 6987 C CB . ALA A 871 ? 0.8900 1.0065 1.1939 -0.1123 -0.0053 0.3182 933 ALA A CB 6988 N N . LEU A 872 ? 0.7887 0.9363 1.1251 0.0850 -0.0592 0.1488 934 LEU A N 6989 C CA . LEU A 872 ? 0.7677 0.8920 0.9511 0.1738 -0.1239 0.1738 934 LEU A CA 6990 C C . LEU A 872 ? 0.9174 0.7696 1.0895 0.2411 -0.0519 0.2522 934 LEU A C 6991 O O . LEU A 872 ? 0.9149 1.0865 1.1218 0.2402 -0.0245 0.2490 934 LEU A O 6992 C CB . LEU A 872 ? 0.9394 0.7360 0.8603 0.1096 -0.1618 0.2986 934 LEU A CB 6993 C CG . LEU A 872 ? 0.7770 0.7970 1.0522 0.0901 0.0149 0.1958 934 LEU A CG 6994 C CD1 . LEU A 872 ? 0.7370 0.7461 0.8512 0.1094 0.1352 0.0899 934 LEU A CD1 6995 C CD2 . LEU A 872 ? 0.7465 0.8108 1.1336 0.0415 0.0239 0.1425 934 LEU A CD2 6996 N N . GLU A 873 ? 0.9798 0.6556 0.9932 0.1667 -0.1026 0.1926 935 GLU A N 6997 C CA . GLU A 873 ? 0.9559 0.7275 1.0006 0.0681 -0.1088 0.2009 935 GLU A CA 6998 C C . GLU A 873 ? 0.8237 0.7774 1.0197 0.1957 -0.0434 0.2407 935 GLU A C 6999 O O . GLU A 873 ? 0.7982 0.6858 1.0769 0.0326 -0.0415 0.1604 935 GLU A O 7000 C CB . GLU A 873 ? 0.7990 0.9183 1.1643 0.1432 -0.0722 0.2607 935 GLU A CB 7001 C CG . GLU A 873 ? 0.9448 1.0711 1.1088 0.0024 0.0345 0.0766 935 GLU A CG 7002 C CD . GLU A 873 ? 0.9961 1.1130 1.2777 -0.0286 0.0022 -0.0192 935 GLU A CD 7003 O OE1 . GLU A 873 ? 0.9521 1.2203 1.1438 0.1780 0.1227 0.1672 935 GLU A OE1 7004 O OE2 . GLU A 873 ? 1.1188 0.8360 1.1919 0.0826 0.0715 0.0354 935 GLU A OE2 7005 N N . GLN A 874 ? 0.8961 0.8334 1.0856 0.1548 -0.0714 0.2189 936 GLN A N 7006 C CA . GLN A 874 ? 0.7883 0.8026 1.0046 0.0561 -0.1808 0.2436 936 GLN A CA 7007 C C . GLN A 874 ? 0.7719 0.9136 0.9373 0.0845 -0.1877 0.2382 936 GLN A C 7008 O O . GLN A 874 ? 0.6984 0.7596 1.1046 0.1533 -0.1841 0.2016 936 GLN A O 7009 C CB . GLN A 874 ? 0.7110 0.8173 0.9991 0.0674 -0.0089 0.4314 936 GLN A CB 7010 C CG . GLN A 874 ? 0.8198 0.8599 1.0747 0.0869 -0.1499 0.3038 936 GLN A CG 7011 C CD . GLN A 874 ? 0.7692 0.9393 1.1056 0.1134 -0.1752 0.2339 936 GLN A CD 7012 O OE1 . GLN A 874 ? 1.0317 0.8484 1.1794 -0.1315 -0.0929 0.1750 936 GLN A OE1 7013 N NE2 . GLN A 874 ? 0.8606 1.0214 0.9818 0.1253 -0.1696 0.2285 936 GLN A NE2 7014 N N . ALA A 875 ? 0.7441 0.7641 0.8545 0.0556 -0.0174 0.2289 937 ALA A N 7015 C CA . ALA A 875 ? 0.6923 0.7398 0.8196 0.0343 -0.0445 0.1154 937 ALA A CA 7016 C C . ALA A 875 ? 0.7209 0.6986 0.9450 -0.0385 -0.1000 0.1383 937 ALA A C 7017 O O . ALA A 875 ? 0.6744 0.8181 0.8701 -0.0291 -0.0933 0.1698 937 ALA A O 7018 C CB . ALA A 875 ? 0.6675 0.6802 0.7909 -0.1499 -0.1212 0.0147 937 ALA A CB 7019 N N . LEU A 876 ? 0.7388 0.7028 1.0361 0.0150 0.0212 0.0843 938 LEU A N 7020 C CA . LEU A 876 ? 0.7233 0.6972 0.8592 -0.0640 -0.1697 0.0865 938 LEU A CA 7021 C C . LEU A 876 ? 0.7947 0.6308 0.8915 -0.0735 -0.1138 0.1033 938 LEU A C 7022 O O . LEU A 876 ? 0.8164 0.6781 0.9548 -0.0907 -0.0903 -0.0131 938 LEU A O 7023 C CB . LEU A 876 ? 0.6700 0.7720 0.9196 0.0293 -0.0657 0.0153 938 LEU A CB 7024 C CG . LEU A 876 ? 0.8322 0.7407 0.8694 0.0317 -0.1766 0.0846 938 LEU A CG 7025 C CD1 . LEU A 876 ? 0.9019 0.8340 0.9392 0.1785 -0.1151 0.1661 938 LEU A CD1 7026 C CD2 . LEU A 876 ? 0.6710 0.7131 0.9584 0.1358 -0.0435 -0.0356 938 LEU A CD2 7027 N N . GLU A 877 ? 0.7298 0.7057 0.8737 -0.0482 -0.1270 -0.0769 939 GLU A N 7028 C CA . GLU A 877 ? 0.7917 0.8877 0.7943 0.0283 -0.1426 0.2134 939 GLU A CA 7029 C C . GLU A 877 ? 0.6434 0.8473 0.8692 -0.0381 -0.1946 0.2360 939 GLU A C 7030 O O . GLU A 877 ? 0.7999 0.8186 0.8748 -0.0395 -0.1646 0.1113 939 GLU A O 7031 C CB . GLU A 877 ? 0.6468 0.8183 0.9740 0.0606 -0.0803 0.1788 939 GLU A CB 7032 C CG . GLU A 877 ? 0.7301 0.8475 1.0210 0.0408 -0.0840 0.1495 939 GLU A CG 7033 C CD . GLU A 877 ? 1.0736 0.8974 0.9948 -0.0998 -0.1264 0.1874 939 GLU A CD 7034 O OE1 . GLU A 877 ? 1.0312 0.9124 1.4013 -0.1341 -0.2456 0.0462 939 GLU A OE1 7035 O OE2 . GLU A 877 ? 1.1879 1.0463 1.3685 -0.2425 0.0455 0.0615 939 GLU A OE2 7036 N N . LYS A 878 ? 0.6716 0.7880 0.8418 -0.0113 -0.1089 0.1720 940 LYS A N 7037 C CA . LYS A 878 ? 0.6677 0.7959 0.7943 -0.0659 -0.0730 0.1036 940 LYS A CA 7038 C C . LYS A 878 ? 0.6828 0.7612 0.7376 -0.0937 -0.0633 0.1688 940 LYS A C 7039 O O . LYS A 878 ? 0.5956 0.7686 0.7957 -0.0484 -0.1416 0.1351 940 LYS A O 7040 C CB . LYS A 878 ? 0.6935 0.7868 0.7911 -0.0960 -0.0370 0.0322 940 LYS A CB 7041 C CG . LYS A 878 ? 0.6396 0.7651 0.8361 -0.0928 -0.1056 0.0879 940 LYS A CG 7042 C CD . LYS A 878 ? 0.7883 0.8613 0.8266 -0.1034 -0.0633 0.0468 940 LYS A CD 7043 C CE . LYS A 878 ? 0.7697 0.8531 0.7416 -0.0258 -0.1245 0.0875 940 LYS A CE 7044 N NZ . LYS A 878 ? 0.7650 0.7491 0.7417 -0.0075 -0.0811 0.1370 940 LYS A NZ 7045 N N . THR A 879 ? 0.6102 0.6883 0.7714 -0.0689 -0.0228 0.1173 941 THR A N 7046 C CA . THR A 879 ? 0.6839 0.6111 0.8157 -0.1130 -0.1461 0.0848 941 THR A CA 7047 C C . THR A 879 ? 0.6508 0.7424 0.7821 -0.0641 -0.1393 0.1117 941 THR A C 7048 O O . THR A 879 ? 0.6235 0.6350 0.7958 -0.0925 -0.1239 0.1188 941 THR A O 7049 C CB . THR A 879 ? 0.6876 0.7363 0.7473 -0.0304 -0.0921 0.1144 941 THR A CB 7050 O OG1 . THR A 879 ? 0.6558 0.7027 0.8160 -0.0244 -0.0876 0.0795 941 THR A OG1 7051 C CG2 . THR A 879 ? 0.5683 0.6905 0.7597 -0.1802 -0.0831 0.0257 941 THR A CG2 7052 N N . LYS A 880 ? 0.7060 0.7005 0.8647 -0.1322 -0.1228 0.1135 942 LYS A N 7053 C CA . LYS A 880 ? 0.6525 0.7475 0.8727 -0.1391 -0.0902 0.0599 942 LYS A CA 7054 C C . LYS A 880 ? 0.7371 0.8310 0.8266 -0.1312 -0.1252 0.0780 942 LYS A C 7055 O O . LYS A 880 ? 0.7406 0.6030 0.9024 -0.2052 -0.1300 0.0807 942 LYS A O 7056 C CB . LYS A 880 ? 0.7594 0.7763 0.8490 -0.1070 -0.1200 0.0735 942 LYS A CB 7057 C CG . LYS A 880 ? 0.7956 0.8017 0.9697 -0.0767 -0.1582 0.0145 942 LYS A CG 7058 C CD . LYS A 880 ? 0.8527 0.7994 0.9418 -0.0944 -0.1573 0.0818 942 LYS A CD 7059 C CE . LYS A 880 ? 0.9612 0.7483 0.8575 0.0089 -0.1511 0.1280 942 LYS A CE 7060 N NZ . LYS A 880 ? 0.8663 0.7457 0.8396 -0.0287 -0.0981 0.0890 942 LYS A NZ 7061 N N . ALA A 881 ? 0.7260 0.7250 0.7993 -0.1500 -0.0788 0.1483 943 ALA A N 7062 C CA . ALA A 881 ? 0.7374 0.6920 0.7977 -0.1202 -0.1135 0.1671 943 ALA A CA 7063 C C . ALA A 881 ? 0.5881 0.7924 0.8182 -0.0870 -0.1805 0.1516 943 ALA A C 7064 O O . ALA A 881 ? 0.7003 0.8009 0.9157 -0.0234 -0.1716 0.1216 943 ALA A O 7065 C CB . ALA A 881 ? 0.7370 0.6291 0.7088 -0.0350 -0.1118 0.1532 943 ALA A CB 7066 N N . ASN A 882 ? 0.4936 0.8669 0.7732 -0.0036 -0.0941 0.0905 944 ASN A N 7067 C CA . ASN A 882 ? 0.6626 0.7090 0.7868 -0.1234 -0.0532 0.1389 944 ASN A CA 7068 C C . ASN A 882 ? 0.6422 0.8357 0.8607 -0.0613 -0.1137 0.0036 944 ASN A C 7069 O O . ASN A 882 ? 0.5495 0.7482 0.8664 -0.1711 -0.0404 0.0070 944 ASN A O 7070 C CB . ASN A 882 ? 0.5754 0.7157 0.7463 -0.0344 -0.0553 0.1257 944 ASN A CB 7071 C CG . ASN A 882 ? 0.6535 0.6537 0.7037 -0.0865 -0.1071 0.0600 944 ASN A CG 7072 O OD1 . ASN A 882 ? 0.4353 0.6663 0.7133 -0.0863 -0.0560 0.1315 944 ASN A OD1 7073 N ND2 . ASN A 882 ? 0.6275 0.6502 0.8118 -0.0598 -0.0778 0.1887 944 ASN A ND2 7074 N N . ILE A 883 ? 0.5858 0.7236 0.7965 -0.1105 0.0116 0.1168 945 ILE A N 7075 C CA . ILE A 883 ? 0.6152 0.7565 0.8226 -0.1653 -0.0715 0.0922 945 ILE A CA 7076 C C . ILE A 883 ? 0.6092 0.8400 0.8381 -0.1363 -0.0689 0.0727 945 ILE A C 7077 O O . ILE A 883 ? 0.5961 0.8331 0.8123 -0.0646 -0.1590 0.0385 945 ILE A O 7078 C CB . ILE A 883 ? 0.5775 0.7596 0.8500 -0.1529 -0.1005 0.0779 945 ILE A CB 7079 C CG1 . ILE A 883 ? 0.5133 0.7676 0.8483 -0.1551 -0.0362 0.0588 945 ILE A CG1 7080 C CG2 . ILE A 883 ? 0.6089 0.5884 0.8907 -0.1654 -0.0482 0.0891 945 ILE A CG2 7081 C CD1 . ILE A 883 ? 0.6578 0.8036 0.8766 -0.0596 -0.1049 0.0265 945 ILE A CD1 7082 N N . LYS A 884 ? 0.7240 0.8254 0.8295 -0.0969 -0.0156 0.1291 946 LYS A N 7083 C CA . LYS A 884 ? 0.6477 0.8046 0.8733 -0.2004 0.0223 0.1289 946 LYS A CA 7084 C C . LYS A 884 ? 0.6246 0.7803 0.7925 -0.2736 0.0021 0.1696 946 LYS A C 7085 O O . LYS A 884 ? 0.6208 0.8193 0.8548 -0.0798 -0.0879 0.1675 946 LYS A O 7086 C CB . LYS A 884 ? 0.6461 0.8007 0.8745 -0.2439 -0.0340 0.1235 946 LYS A CB 7087 C CG . LYS A 884 ? 0.8045 0.8661 0.9208 -0.1828 0.0302 0.1612 946 LYS A CG 7088 C CD . LYS A 884 ? 0.9270 0.9369 0.9944 -0.0651 -0.0051 0.1401 946 LYS A CD 7089 C CE . LYS A 884 ? 1.0487 1.1624 0.8873 -0.1299 -0.0521 0.0580 946 LYS A CE 7090 N NZ . LYS A 884 ? 1.0461 1.1685 0.9897 -0.1192 -0.0985 0.0154 946 LYS A NZ 7091 N N . TRP A 885 ? 0.5189 0.7982 0.8943 -0.2247 0.0164 0.1347 947 TRP A N 7092 C CA . TRP A 885 ? 0.6186 0.7876 0.8399 -0.1286 0.0555 0.1168 947 TRP A CA 7093 C C . TRP A 885 ? 0.5477 0.8823 0.7733 -0.1320 0.0066 0.0637 947 TRP A C 7094 O O . TRP A 885 ? 0.6716 0.8247 0.8500 -0.0144 -0.0462 0.0538 947 TRP A O 7095 C CB . TRP A 885 ? 0.5771 0.7271 0.8105 -0.1212 -0.0338 0.0319 947 TRP A CB 7096 C CG . TRP A 885 ? 0.3808 0.8230 0.7899 -0.1971 -0.0758 0.0049 947 TRP A CG 7097 C CD1 . TRP A 885 ? 0.5447 0.8295 0.6697 0.0367 -0.0544 0.0937 947 TRP A CD1 7098 C CD2 . TRP A 885 ? 0.5373 0.8861 0.6897 -0.1143 0.0849 0.0607 947 TRP A CD2 7099 N NE1 . TRP A 885 ? 0.4958 0.8606 0.7788 -0.0386 0.0292 0.0409 947 TRP A NE1 7100 C CE2 . TRP A 885 ? 0.4746 0.7835 0.7779 -0.0574 0.0712 0.0490 947 TRP A CE2 7101 C CE3 . TRP A 885 ? 0.4397 0.8542 0.7540 -0.0539 0.1242 0.1210 947 TRP A CE3 7102 C CZ2 . TRP A 885 ? 0.5082 0.7803 0.6894 -0.0463 0.0603 -0.0111 947 TRP A CZ2 7103 C CZ3 . TRP A 885 ? 0.5158 0.8351 0.7581 0.0265 0.0506 -0.0003 947 TRP A CZ3 7104 C CH2 . TRP A 885 ? 0.4740 0.7817 0.6918 -0.0315 0.0730 0.0448 947 TRP A CH2 7105 N N . VAL A 886 ? 0.3896 0.7955 0.7591 -0.1302 -0.0079 0.0459 948 VAL A N 7106 C CA . VAL A 886 ? 0.5620 0.7327 0.7301 -0.1393 -0.0136 0.1391 948 VAL A CA 7107 C C . VAL A 886 ? 0.4855 0.8259 0.8935 -0.0863 -0.0739 0.1569 948 VAL A C 7108 O O . VAL A 886 ? 0.5911 0.8539 0.9731 -0.1677 0.0981 -0.0363 948 VAL A O 7109 C CB . VAL A 886 ? 0.4717 0.8280 0.7822 -0.0740 -0.0523 0.0566 948 VAL A CB 7110 C CG1 . VAL A 886 ? 0.4510 0.7591 0.8313 -0.1403 -0.1093 -0.0235 948 VAL A CG1 7111 C CG2 . VAL A 886 ? 0.5990 0.5919 0.7333 -0.1203 -0.0772 0.0938 948 VAL A CG2 7112 N N . LYS A 887 ? 0.5848 0.8566 0.8431 -0.2187 0.0129 0.0764 949 LYS A N 7113 C CA . LYS A 887 ? 0.6265 0.9236 0.9450 -0.1808 0.0879 0.1663 949 LYS A CA 7114 C C . LYS A 887 ? 0.6199 0.9660 0.9512 -0.1760 -0.0015 0.1036 949 LYS A C 7115 O O . LYS A 887 ? 0.7017 0.8848 1.0652 -0.1486 0.0746 0.0785 949 LYS A O 7116 C CB . LYS A 887 ? 0.7028 0.9429 1.0460 -0.1871 0.0045 0.1253 949 LYS A CB 7117 C CG . LYS A 887 ? 0.7514 1.0512 1.1302 -0.2506 0.0194 0.1446 949 LYS A CG 7118 C CD . LYS A 887 ? 0.8919 0.9759 1.3050 -0.2026 0.1141 0.1105 949 LYS A CD 7119 C CE . LYS A 887 ? 0.9078 1.2434 1.4475 -0.2822 0.1015 0.0483 949 LYS A CE 7120 N NZ . LYS A 887 ? 1.0783 1.3515 1.3317 -0.1769 0.1503 0.1196 949 LYS A NZ 7121 N N . GLU A 888 ? 0.5988 0.9667 0.8237 -0.0704 0.0430 0.1245 950 GLU A N 7122 C CA . GLU A 888 ? 0.7013 0.9138 0.8647 -0.0768 0.0422 0.0497 950 GLU A CA 7123 C C . GLU A 888 ? 0.6409 0.9068 0.9125 -0.0737 0.0539 0.1492 950 GLU A C 7124 O O . GLU A 888 ? 0.9424 0.9278 0.9614 -0.0429 -0.0015 0.0221 950 GLU A O 7125 C CB . GLU A 888 ? 0.8007 1.0240 0.8165 -0.0535 0.1050 0.2209 950 GLU A CB 7126 C CG . GLU A 888 ? 0.9285 1.0581 0.9347 -0.0683 0.1304 0.1950 950 GLU A CG 7127 C CD . GLU A 888 ? 0.9185 1.0182 0.9654 -0.1365 0.1599 0.3028 950 GLU A CD 7128 O OE1 . GLU A 888 ? 0.7982 1.1771 0.9158 0.0021 -0.0256 0.1178 950 GLU A OE1 7129 O OE2 . GLU A 888 ? 1.2845 0.8474 0.9486 0.0262 0.1877 0.2538 950 GLU A OE2 7130 N N . ASN A 889 ? 0.5617 0.8573 0.9232 -0.0435 0.0298 0.1412 951 ASN A N 7131 C CA . ASN A 889 ? 0.5523 0.9591 0.8573 -0.1170 -0.0732 0.0159 951 ASN A CA 7132 C C . ASN A 889 ? 0.5191 0.8923 0.8999 -0.1330 -0.0284 0.0417 951 ASN A C 7133 O O . ASN A 889 ? 0.3731 0.9657 0.7799 -0.0955 0.0424 -0.0070 951 ASN A O 7134 C CB . ASN A 889 ? 0.5388 0.9233 0.7411 -0.0192 0.0146 -0.0039 951 ASN A CB 7135 C CG . ASN A 889 ? 0.5866 0.9148 0.7600 -0.1022 -0.0467 -0.0428 951 ASN A CG 7136 O OD1 . ASN A 889 ? 0.6724 1.0749 0.7098 0.0211 0.0193 -0.0214 951 ASN A OD1 7137 N ND2 . ASN A 889 ? 0.6686 0.7254 0.7402 -0.1599 -0.0617 0.1110 951 ASN A ND2 7138 N N . LYS A 890 ? 0.4488 0.8873 0.7881 -0.0092 0.0465 0.0211 952 LYS A N 7139 C CA . LYS A 890 ? 0.3730 0.8854 0.7935 -0.1290 0.0049 0.0506 952 LYS A CA 7140 C C . LYS A 890 ? 0.5024 0.9386 0.8587 -0.0798 0.0535 0.0232 952 LYS A C 7141 O O . LYS A 890 ? 0.4046 0.8991 0.8312 0.0267 0.1487 -0.0373 952 LYS A O 7142 C CB . LYS A 890 ? 0.6527 0.9156 0.7821 -0.0905 -0.0118 -0.0300 952 LYS A CB 7143 C CG . LYS A 890 ? 0.7289 0.9944 0.9363 -0.1551 0.0734 0.1392 952 LYS A CG 7144 C CD . LYS A 890 ? 0.7935 1.2383 1.1079 -0.0900 -0.0079 0.1303 952 LYS A CD 7145 C CE . LYS A 890 ? 0.9635 1.2922 1.0666 -0.0840 0.0525 0.1091 952 LYS A CE 7146 N NZ . LYS A 890 ? 0.8289 1.3748 1.0053 -0.0302 0.1574 -0.1168 952 LYS A NZ 7147 N N . GLU A 891 ? 0.3704 0.9916 0.9042 -0.1171 0.0117 -0.0049 953 GLU A N 7148 C CA . GLU A 891 ? 0.4599 1.0930 0.8959 -0.0902 0.0986 0.0194 953 GLU A CA 7149 C C . GLU A 891 ? 0.4601 1.0337 0.8956 -0.0856 0.0852 0.0673 953 GLU A C 7150 O O . GLU A 891 ? 0.4448 1.0738 0.8593 0.0131 -0.0653 -0.0171 953 GLU A O 7151 C CB . GLU A 891 ? 0.5159 1.0785 0.9318 -0.1438 0.0183 0.0861 953 GLU A CB 7152 C CG . GLU A 891 ? 0.6391 1.4132 1.1506 -0.0095 -0.1946 -0.0225 953 GLU A CG 7153 C CD . GLU A 891 ? 0.8042 1.4549 1.3426 0.1388 0.2944 0.1166 953 GLU A CD 7154 O OE1 . GLU A 891 ? 0.9020 1.3452 1.1986 -0.2160 0.2573 -0.0419 953 GLU A OE1 7155 O OE2 . GLU A 891 ? 0.9012 1.8530 1.3565 -0.3059 0.3788 -0.3627 953 GLU A OE2 7156 N N . VAL A 892 ? 0.3887 1.1194 0.9834 -0.0508 0.0203 -0.0178 954 VAL A N 7157 C CA . VAL A 892 ? 0.5110 1.0118 0.9402 -0.0400 0.0629 0.0191 954 VAL A CA 7158 C C . VAL A 892 ? 0.4001 1.0004 0.8660 -0.0089 0.0624 -0.0369 954 VAL A C 7159 O O . VAL A 892 ? 0.4081 0.9962 0.8784 0.1248 0.1197 -0.0584 954 VAL A O 7160 C CB . VAL A 892 ? 0.7018 0.8606 0.8729 -0.1443 0.0147 0.0444 954 VAL A CB 7161 C CG1 . VAL A 892 ? 0.5822 1.0508 0.9002 -0.0921 -0.1503 0.0717 954 VAL A CG1 7162 C CG2 . VAL A 892 ? 0.6340 1.1133 0.9290 -0.0186 0.1700 0.1976 954 VAL A CG2 7163 N N . VAL A 893 ? 0.3812 0.9562 0.7691 -0.0246 0.0344 0.0017 955 VAL A N 7164 C CA . VAL A 893 ? 0.4619 0.9368 0.8355 0.0028 0.0768 0.0160 955 VAL A CA 7165 C C . VAL A 893 ? 0.2759 0.9558 0.7792 -0.0341 0.1201 0.0041 955 VAL A C 7166 O O . VAL A 893 ? 0.4079 0.9525 0.7318 -0.0583 0.1141 -0.0077 955 VAL A O 7167 C CB . VAL A 893 ? 0.4304 0.9294 0.9177 0.0509 0.0506 0.0360 955 VAL A CB 7168 C CG1 . VAL A 893 ? 0.4740 1.0047 0.7328 -0.0278 -0.0680 0.0511 955 VAL A CG1 7169 C CG2 . VAL A 893 ? 0.5474 0.8501 0.7976 -0.0079 0.0661 0.0784 955 VAL A CG2 7170 N N . LEU A 894 ? 0.4147 0.9567 0.8067 -0.0423 0.0093 0.0424 956 LEU A N 7171 C CA . LEU A 894 ? 0.4033 0.8732 0.8021 -0.0853 0.0477 0.0847 956 LEU A CA 7172 C C . LEU A 894 ? 0.3377 1.0587 0.8960 -0.0330 0.0186 -0.0036 956 LEU A C 7173 O O . LEU A 894 ? 0.4471 1.0723 0.7564 0.0708 0.0043 -0.0809 956 LEU A O 7174 C CB . LEU A 894 ? 0.4281 0.9691 0.7755 -0.0282 -0.0480 0.0093 956 LEU A CB 7175 C CG . LEU A 894 ? 0.3381 0.9027 0.9994 0.0328 0.0322 0.0648 956 LEU A CG 7176 C CD1 . LEU A 894 ? 0.3736 0.8586 0.9860 0.0876 0.0889 0.0366 956 LEU A CD1 7177 C CD2 . LEU A 894 ? 0.3601 0.9307 0.9079 -0.0130 0.0254 0.0954 956 LEU A CD2 7178 N N . ASN A 895 ? 0.3746 0.9754 0.8870 0.0793 -0.0121 0.0856 957 ASN A N 7179 C CA . ASN A 895 ? 0.4463 1.0694 0.9513 0.0364 0.0792 -0.0171 957 ASN A CA 7180 C C . ASN A 895 ? 0.4069 1.2086 0.8606 0.1193 -0.0099 -0.0172 957 ASN A C 7181 O O . ASN A 895 ? 0.2552 1.2031 1.0621 0.0897 0.0060 -0.0142 957 ASN A O 7182 C CB . ASN A 895 ? 0.4768 1.0307 1.0049 0.0686 0.0896 0.0584 957 ASN A CB 7183 C CG . ASN A 895 ? 0.5308 1.2771 1.1564 -0.0361 0.0828 0.0335 957 ASN A CG 7184 O OD1 . ASN A 895 ? 0.5605 1.2963 1.1782 -0.1330 -0.0153 0.0846 957 ASN A OD1 7185 N ND2 . ASN A 895 ? 0.5389 1.2404 1.0924 0.0446 0.1260 -0.1013 957 ASN A ND2 7186 N N . TRP A 896 ? 0.3768 0.9250 0.8845 0.0692 0.0620 0.0879 958 TRP A N 7187 C CA . TRP A 896 ? 0.4302 0.9530 0.8794 0.0810 0.1047 -0.0134 958 TRP A CA 7188 C C . TRP A 896 ? 0.3429 1.0357 0.9110 0.0960 0.0514 0.0329 958 TRP A C 7189 O O . TRP A 896 ? 0.4075 1.0552 0.8680 0.0967 0.1239 0.0064 958 TRP A O 7190 C CB . TRP A 896 ? 0.3606 0.9232 0.7737 -0.0143 0.1652 0.0752 958 TRP A CB 7191 C CG . TRP A 896 ? 0.4828 1.0387 0.7527 0.0308 0.0855 -0.0042 958 TRP A CG 7192 C CD1 . TRP A 896 ? 0.4660 0.9071 0.7527 0.0952 0.1158 -0.0764 958 TRP A CD1 7193 C CD2 . TRP A 896 ? 0.3680 0.9562 0.8038 0.0857 0.0534 -0.0907 958 TRP A CD2 7194 N NE1 . TRP A 896 ? 0.3496 0.9962 0.9185 0.0797 0.0795 -0.0236 958 TRP A NE1 7195 C CE2 . TRP A 896 ? 0.3887 0.9277 0.8054 0.0782 0.0576 -0.0780 958 TRP A CE2 7196 C CE3 . TRP A 896 ? 0.3151 0.7964 0.8390 0.1050 0.0261 -0.0553 958 TRP A CE3 7197 C CZ2 . TRP A 896 ? 0.3349 1.1049 0.7789 -0.0047 -0.0036 0.0304 958 TRP A CZ2 7198 C CZ3 . TRP A 896 ? 0.2740 0.9207 0.8986 0.0656 0.0639 -0.1256 958 TRP A CZ3 7199 C CH2 . TRP A 896 ? 0.3557 0.9938 0.7283 0.1186 -0.0006 0.0044 958 TRP A CH2 7200 N N . PHE A 897 ? 0.3677 0.9674 0.9351 0.0938 0.0458 0.0298 959 PHE A N 7201 C CA . PHE A 897 ? 0.4450 1.0313 0.8591 0.1322 0.0790 0.0170 959 PHE A CA 7202 C C . PHE A 897 ? 0.4904 1.0379 0.9621 0.1358 -0.0108 0.0370 959 PHE A C 7203 O O . PHE A 897 ? 0.3759 0.9769 0.9810 0.1938 0.0120 0.0508 959 PHE A O 7204 C CB . PHE A 897 ? 0.3972 0.8913 0.8635 0.0977 -0.0126 -0.0840 959 PHE A CB 7205 C CG . PHE A 897 ? 0.3790 0.8280 0.8563 0.0337 0.0027 0.0192 959 PHE A CG 7206 C CD1 . PHE A 897 ? 0.3582 0.8794 0.7919 0.1301 -0.0877 -0.0327 959 PHE A CD1 7207 C CD2 . PHE A 897 ? 0.3453 0.8460 0.8757 0.0967 -0.0410 0.0380 959 PHE A CD2 7208 C CE1 . PHE A 897 ? 0.3390 0.8609 0.7102 0.1317 0.0507 0.0034 959 PHE A CE1 7209 C CE2 . PHE A 897 ? 0.3425 0.8339 0.8086 0.0813 -0.0246 0.0356 959 PHE A CE2 7210 C CZ . PHE A 897 ? 0.3220 0.7447 0.8169 0.0697 -0.0182 0.0951 959 PHE A CZ 7211 N N . ILE A 898 ? 0.4889 1.1589 1.0400 0.0964 0.0229 0.0172 960 ILE A N 7212 C CA . ILE A 898 ? 0.4844 1.0762 1.0489 0.0869 0.0694 -0.0335 960 ILE A CA 7213 C C . ILE A 898 ? 0.4777 1.1494 0.9819 0.0792 0.1465 -0.0117 960 ILE A C 7214 O O . ILE A 898 ? 0.5743 1.1266 0.9763 0.2134 -0.0191 -0.1149 960 ILE A O 7215 C CB . ILE A 898 ? 0.2048 1.2489 1.0468 0.2336 0.1021 -0.0647 960 ILE A CB 7216 C CG1 . ILE A 898 ? 0.3996 1.0347 1.0445 0.1270 -0.0249 -0.0025 960 ILE A CG1 7217 C CG2 . ILE A 898 ? 0.3596 1.0033 1.0024 0.2714 0.1077 -0.0343 960 ILE A CG2 7218 C CD1 . ILE A 898 ? 0.4611 1.0891 0.7257 0.0591 -0.0618 0.0076 960 ILE A CD1 7219 N N . GLU A 899 ? 0.4875 0.9967 1.0246 0.1230 0.0497 0.0101 961 GLU A N 7220 C CA . GLU A 899 ? 0.5126 1.1624 0.9976 0.1476 0.0443 -0.0170 961 GLU A CA 7221 C C . GLU A 899 ? 0.5226 1.2185 0.9084 0.1437 0.1210 -0.0219 961 GLU A C 7222 O O . GLU A 899 ? 0.2815 1.2610 1.1995 0.1772 0.0785 -0.0767 961 GLU A O 7223 C CB . GLU A 899 ? 0.4838 1.0980 1.1089 0.2039 0.1141 0.0290 961 GLU A CB 7224 C CG . GLU A 899 ? 0.4518 1.0616 1.1395 0.2279 0.0751 0.0247 961 GLU A CG 7225 C CD . GLU A 899 ? 0.4737 1.3213 1.0683 0.2424 0.2102 -0.1003 961 GLU A CD 7226 O OE1 . GLU A 899 ? 1.3686 1.4101 1.0936 0.0119 -0.1307 -0.3037 961 GLU A OE1 7227 O OE2 . GLU A 899 ? 0.6812 1.1069 1.2613 -0.1665 0.1339 -0.1921 961 GLU A OE2 7228 N N . HIS A 900 ? 0.4328 0.9994 1.0245 0.1468 0.0202 -0.0214 962 HIS A N 7229 C CA . HIS A 900 ? 0.4672 0.9516 0.8854 0.2041 0.0418 -0.1129 962 HIS A CA 7230 C C . HIS A 900 ? 0.5086 0.9529 0.9766 0.1944 0.0577 -0.0498 962 HIS A C 7231 O O . HIS A 900 ? 0.5191 0.8838 0.9832 0.2145 0.1236 0.0536 962 HIS A O 7232 C CB . HIS A 900 ? 0.3881 0.9930 0.8187 0.0928 0.0188 -0.1096 962 HIS A CB 7233 C CG . HIS A 900 ? 0.5099 1.0091 0.9419 0.1545 0.1220 -0.0053 962 HIS A CG 7234 N ND1 . HIS A 900 ? 0.5574 1.0048 1.0037 0.2144 0.1582 -0.0528 962 HIS A ND1 7235 C CD2 . HIS A 900 ? 0.4746 0.9084 0.9418 0.1512 -0.0016 -0.1064 962 HIS A CD2 7236 C CE1 . HIS A 900 ? 0.6226 0.9563 1.0554 0.2145 0.2082 -0.0512 962 HIS A CE1 7237 N NE2 . HIS A 900 ? 0.4825 0.8473 1.0062 0.3238 0.0924 0.0487 962 HIS A NE2 7238 N N . SER A 901 ? 0.5923 0.9630 0.9615 0.0932 0.0487 -0.0614 963 SER A N 7239 C CA . SER A 901 ? 0.5419 1.0049 0.9324 0.1443 0.0001 -0.0327 963 SER A CA 7240 C C . SER A 901 ? 0.7814 1.0109 0.9026 0.2327 -0.0390 -0.1390 963 SER A C 7241 O O . SER A 901 ? 0.9834 1.1100 1.0242 0.2430 -0.0339 -0.0054 963 SER A O 7242 C CB . SER A 901 ? 0.4790 0.9885 0.9631 0.2155 0.0032 -0.0485 963 SER A CB 7243 O OG . SER A 901 ? 0.5225 0.9497 1.0315 0.1948 0.0416 0.0378 963 SER A OG 7244 N N . SER A 902 ? 0.6596 1.2299 1.1741 0.2707 0.2046 0.0781 964 SER A N 7245 C CA . SER A 902 ? 0.9036 1.0983 1.2733 0.2650 -0.0226 0.0812 964 SER A CA 7246 C C . SER A 902 ? 0.7151 1.2619 1.4276 -0.0283 0.1173 0.1685 964 SER A C 7247 O O . SER A 902 ? 0.8163 1.1807 1.3802 -0.0014 0.2958 -0.0441 964 SER A O 7248 C CB . SER A 902 ? 0.9454 1.1400 1.1634 0.3508 0.1800 0.0974 964 SER A CB 7249 O OG . SER A 902 ? 1.0181 1.1896 1.3880 0.3938 -0.0157 0.0288 964 SER A OG 7250 N N . CYS B 1 ? 0.3565 0.3003 0.3542 -0.0817 0.0126 0.0182 1 CYS B N 7251 C CA . CYS B 1 ? 0.3921 0.3352 0.3924 -0.0555 0.0389 -0.0369 1 CYS B CA 7252 C C . CYS B 1 ? 0.4578 0.4288 0.4451 0.0328 0.0511 0.0174 1 CYS B C 7253 O O . CYS B 1 ? 0.3899 0.4412 0.3436 -0.0380 0.0783 -0.0232 1 CYS B O 7254 C CB . CYS B 1 ? 0.4687 0.4678 0.4039 0.0088 -0.0430 -0.0421 1 CYS B CB 7255 S SG . CYS B 1 ? 0.5416 0.6251 0.5457 -0.0041 0.0340 -0.0120 1 CYS B SG 7256 N N . ASN B 2 ? 0.4570 0.4790 0.4558 0.0524 0.0458 -0.0030 2 ASN B N 7257 C CA . ASN B 2 ? 0.4888 0.4562 0.5159 0.0501 -0.0120 -0.0621 2 ASN B CA 7258 C C . ASN B 2 ? 0.3877 0.6715 0.4572 -0.0440 0.0292 -0.0151 2 ASN B C 7259 O O . ASN B 2 ? 0.4956 0.5642 0.4965 -0.0404 0.0566 0.0389 2 ASN B O 7260 C CB . ASN B 2 ? 0.5380 0.4546 0.4967 -0.0012 0.0804 -0.0945 2 ASN B CB 7261 C CG . ASN B 2 ? 0.4100 0.4300 0.6601 0.0101 0.0529 -0.0136 2 ASN B CG 7262 O OD1 . ASN B 2 ? 0.3918 0.5447 0.5041 -0.0453 0.0635 0.0794 2 ASN B OD1 7263 N ND2 . ASN B 2 ? 0.4612 0.3955 0.5556 -0.0176 -0.0188 -0.0855 2 ASN B ND2 7264 N N . GLY B 3 ? 0.4340 0.6134 0.5483 -0.0301 -0.0158 -0.0250 3 GLY B N 7265 C CA . GLY B 3 ? 0.4098 0.5090 0.5936 -0.0610 -0.0839 -0.1211 3 GLY B CA 7266 C C . GLY B 3 ? 0.5747 0.5134 0.5270 -0.0592 0.1493 -0.0770 3 GLY B C 7267 O O . GLY B 3 ? 0.7785 0.8079 0.7482 -0.0436 0.1880 0.1402 3 GLY B O 7268 N N . ARG B 4 ? 0.7197 0.5654 0.5562 -0.0165 0.0404 -0.0683 4 ARG B N 7269 C CA . ARG B 4 ? 0.5083 0.4809 0.5394 -0.0279 -0.0421 -0.0984 4 ARG B CA 7270 C C . ARG B 4 ? 0.6125 0.8204 0.6119 0.1269 0.0844 -0.0162 4 ARG B C 7271 O O . ARG B 4 ? 0.7622 0.9271 0.6654 0.0602 0.1761 -0.0514 4 ARG B O 7272 C CB . ARG B 4 ? 0.6932 0.6138 0.5587 -0.1098 -0.0569 -0.0922 4 ARG B CB 7273 C CG . ARG B 4 ? 0.5098 0.7283 0.7170 0.0466 -0.1827 0.0491 4 ARG B CG 7274 C CD . ARG B 4 ? 0.7063 0.7471 0.6444 0.1318 0.0324 0.0697 4 ARG B CD 7275 N NE . ARG B 4 ? 0.8827 0.6889 0.5658 0.0183 -0.1112 0.0383 4 ARG B NE 7276 C CZ . ARG B 4 ? 1.0568 0.5665 0.5751 0.0171 -0.0921 -0.0322 4 ARG B CZ 7277 N NH1 . ARG B 4 ? 1.0473 0.7226 0.7988 0.0644 -0.0049 -0.2176 4 ARG B NH1 7278 N NH2 . ARG B 4 ? 1.0724 0.8969 0.6763 -0.0593 0.0277 -0.0847 4 ARG B NH2 7279 N N . CYS B 5 ? 0.4471 0.6262 0.6987 0.0948 -0.0727 -0.1053 5 CYS B N 7280 C CA . CYS B 5 ? 0.5337 0.5044 0.3712 0.0205 -0.0425 -0.0226 5 CYS B CA 7281 C C . CYS B 5 ? 0.3773 0.4766 0.5979 -0.0186 0.0165 -0.0529 5 CYS B C 7282 O O . CYS B 5 ? 0.5418 0.6852 0.6067 -0.1702 0.0752 0.0193 5 CYS B O 7283 C CB . CYS B 5 ? 0.6001 0.4268 0.5498 -0.0798 -0.0692 -0.0466 5 CYS B CB 7284 S SG . CYS B 5 ? 0.4897 0.5595 0.6004 -0.0337 0.0184 -0.0530 5 CYS B SG 7285 N N . GLY B 6 ? 0.5232 0.4885 0.5453 0.0435 -0.0308 0.0049 6 GLY B N 7286 C CA . GLY B 6 ? 0.5086 0.3867 0.6176 -0.0676 -0.0252 -0.0065 6 GLY B CA 7287 C C . GLY B 6 ? 0.4501 0.3370 0.6024 -0.0882 -0.0424 0.0190 6 GLY B C 7288 O O . GLY B 6 ? 0.5490 0.4011 0.5589 0.0544 0.0320 0.0252 6 GLY B O 7289 O OXT . GLY B 6 ? 0.4789 0.4295 0.5485 -0.0925 -0.0109 -0.0633 6 GLY B OXT 7290 ZN ZN . ZN C . ? 0.3834 0.3761 0.3864 -0.0051 0.0133 -0.0378 1001 ZN A ZN 7291 C C1 . NAG D . ? 0.3987 0.6588 0.3315 -0.0176 0.0613 -0.0030 1002 NAG A C1 7292 C C2 . NAG D . ? 0.2712 0.7171 0.5615 -0.1042 0.0706 0.0716 1002 NAG A C2 7293 C C3 . NAG D . ? 0.2296 0.6350 0.5693 -0.0977 0.1198 0.1452 1002 NAG A C3 7294 C C4 . NAG D . ? 0.3815 0.5245 0.6273 -0.0740 0.2245 0.1015 1002 NAG A C4 7295 C C5 . NAG D . ? 0.4144 0.6200 0.5320 -0.0042 -0.0015 0.1616 1002 NAG A C5 7296 C C6 . NAG D . ? 0.4612 0.6725 0.6828 -0.2955 -0.0521 0.2810 1002 NAG A C6 7297 C C7 . NAG D . ? 0.4261 0.6771 0.4806 0.0426 0.2722 0.0473 1002 NAG A C7 7298 C C8 . NAG D . ? 0.4879 0.6648 0.3846 -0.0602 0.2632 -0.0062 1002 NAG A C8 7299 N N2 . NAG D . ? 0.3800 0.6499 0.3368 0.0117 0.1769 -0.0647 1002 NAG A N2 7300 O O3 . NAG D . ? 0.3774 0.6942 0.4648 -0.0104 0.0711 -0.0476 1002 NAG A O3 7301 O O4 . NAG D . ? 0.5722 0.5770 0.7100 -0.1259 0.0831 0.1506 1002 NAG A O4 7302 O O5 . NAG D . ? 0.3397 0.6116 0.5040 0.1014 0.1070 0.0488 1002 NAG A O5 7303 O O6 . NAG D . ? 0.6616 0.4753 0.7822 -0.0388 0.1077 0.4423 1002 NAG A O6 7304 O O7 . NAG D . ? 0.4570 0.2971 0.4856 0.1077 0.1627 -0.0332 1002 NAG A O7 7305 C C1 . NAG E . ? 0.5517 0.9239 0.8968 0.0531 0.2841 0.1240 1003 NAG A C1 7306 C C2 . NAG E . ? 0.5917 0.4404 1.5502 0.4610 0.0859 -0.0538 1003 NAG A C2 7307 C C3 . NAG E . ? 0.8568 1.0926 1.5370 0.0105 0.0116 0.2616 1003 NAG A C3 7308 C C4 . NAG E . ? 1.1488 1.3859 1.7128 -0.0853 -0.0689 -0.0225 1003 NAG A C4 7309 C C5 . NAG E . ? 1.1450 1.9532 2.3378 -0.8236 -0.5661 0.9973 1003 NAG A C5 7310 C C6 . NAG E . ? 2.3776 1.9773 3.8817 -1.2514 -0.3495 2.3317 1003 NAG A C6 7311 C C7 . NAG E . ? 0.5549 0.8314 1.3358 -0.1446 -0.0959 -0.1703 1003 NAG A C7 7312 C C8 . NAG E . ? 1.0488 0.8083 1.4028 -0.5688 -0.2102 0.1881 1003 NAG A C8 7313 N N2 . NAG E . ? 0.4351 0.2243 1.5537 0.2522 0.0646 -0.0994 1003 NAG A N2 7314 O O3 . NAG E . ? 0.3854 1.6428 1.6297 -0.0516 0.1307 0.1133 1003 NAG A O3 7315 O O4 . NAG E . ? 1.1289 1.6095 1.6127 -0.1667 -0.1109 -0.0138 1003 NAG A O4 7316 O O5 . NAG E . ? 0.6044 0.5739 1.7170 0.1425 -0.0857 0.0430 1003 NAG A O5 7317 O O6 . NAG E . ? 2.4151 1.5383 3.1534 -1.4530 -1.4800 1.7507 1003 NAG A O6 7318 O O7 . NAG E . ? 0.7019 0.7892 1.3414 -0.0403 -0.1359 0.0467 1003 NAG A O7 7319 C C1 . NAG F . ? 0.7675 0.8281 0.5203 -0.0195 -0.1389 -0.2270 1004 NAG A C1 7320 C C2 . NAG F . ? 0.8696 1.0529 0.4584 -0.0572 -0.0647 -0.1674 1004 NAG A C2 7321 C C3 . NAG F . ? 0.9288 1.1914 0.5145 0.0067 -0.2091 -0.1188 1004 NAG A C3 7322 C C4 . NAG F . ? 1.2758 1.2201 0.5762 -0.0536 -0.0909 -0.1835 1004 NAG A C4 7323 C C5 . NAG F . ? 1.0024 1.2610 0.7181 -0.3148 -0.1799 -0.0454 1004 NAG A C5 7324 C C6 . NAG F . ? 0.8981 1.2272 0.7459 -0.4230 -0.2870 0.0809 1004 NAG A C6 7325 C C7 . NAG F . ? 0.9595 0.5100 0.3683 0.0424 -0.0602 -0.1667 1004 NAG A C7 7326 C C8 . NAG F . ? 0.9117 0.3669 0.2559 -0.1861 0.1162 -0.0710 1004 NAG A C8 7327 N N2 . NAG F . ? 0.7122 0.9349 0.3096 0.0219 -0.0314 0.0949 1004 NAG A N2 7328 O O3 . NAG F . ? 0.8814 0.9569 0.3107 -0.0084 0.0545 -0.2666 1004 NAG A O3 7329 O O4 . NAG F . ? 1.2287 0.7753 1.1320 -0.0885 0.0109 -0.2168 1004 NAG A O4 7330 O O5 . NAG F . ? 0.7366 0.7169 0.4325 -0.0088 0.0004 -0.0510 1004 NAG A O5 7331 O O6 . NAG F . ? 1.0116 0.5428 1.8030 0.0936 -0.1507 -0.5355 1004 NAG A O6 7332 O O7 . NAG F . ? 0.9901 0.5177 0.4795 0.1202 0.0408 -0.1175 1004 NAG A O7 7333 C C1 . NAG G . ? 1.2014 1.0364 0.9958 -0.1001 -0.2093 -0.1697 1005 NAG A C1 7334 C C2 . NAG G . ? 1.3785 0.8282 1.5411 -0.1893 -0.2404 -0.2042 1005 NAG A C2 7335 C C3 . NAG G . ? 1.0375 1.3933 1.4146 0.3814 -0.0790 -0.1892 1005 NAG A C3 7336 C C4 . NAG G . ? 1.8849 1.6496 1.2864 0.1182 0.0560 -0.3898 1005 NAG A C4 7337 C C5 . NAG G . ? 1.8806 1.9973 1.1393 0.1907 -0.1554 -0.3566 1005 NAG A C5 7338 C C6 . NAG G . ? 1.9462 2.1192 1.7078 0.0334 -0.1502 -0.0345 1005 NAG A C6 7339 C C7 . NAG G . ? 1.5559 1.7698 1.2403 -0.4856 0.0225 -0.1568 1005 NAG A C7 7340 C C8 . NAG G . ? 1.3091 1.7609 1.2488 -0.2319 0.1858 -0.4104 1005 NAG A C8 7341 N N2 . NAG G . ? 1.3560 1.2748 1.1999 -0.2814 -0.3990 0.1855 1005 NAG A N2 7342 O O3 . NAG G . ? 0.7868 1.5780 1.2535 0.2026 0.1374 -0.2002 1005 NAG A O3 7343 O O4 . NAG G . ? 2.2257 2.0615 1.5399 0.4006 -0.4740 -0.7615 1005 NAG A O4 7344 O O5 . NAG G . ? 1.9073 0.7228 1.3012 -0.3098 -0.7144 -0.0440 1005 NAG A O5 7345 O O6 . NAG G . ? 1.9566 2.7570 0.5797 0.8250 -0.4401 -0.0699 1005 NAG A O6 7346 O O7 . NAG G . ? 0.6607 3.1129 1.1121 -0.5950 -0.1844 -0.5413 1005 NAG A O7 7347 C C1 . NAG H . ? 0.3909 0.7629 0.4199 0.0213 -0.0974 0.0534 1006 NAG A C1 7348 C C2 . NAG H . ? 0.4704 0.6644 0.4329 0.0725 0.2595 -0.0384 1006 NAG A C2 7349 C C3 . NAG H . ? 0.3351 0.7330 0.5375 -0.0660 0.2049 -0.0055 1006 NAG A C3 7350 C C4 . NAG H . ? 0.4597 0.6513 0.5581 -0.0376 0.0612 0.0109 1006 NAG A C4 7351 C C5 . NAG H . ? 0.6483 0.6898 0.2645 0.0593 0.1563 0.1345 1006 NAG A C5 7352 C C6 . NAG H . ? 0.7959 0.7432 0.5536 -0.0994 -0.2327 0.2843 1006 NAG A C6 7353 C C7 . NAG H . ? 0.7733 0.9688 0.2424 0.4210 0.0920 0.1490 1006 NAG A C7 7354 C C8 . NAG H . ? 0.9589 0.7847 0.4925 0.5299 0.2340 0.2578 1006 NAG A C8 7355 N N2 . NAG H . ? 0.2314 0.6353 0.4120 0.1384 0.0915 0.1815 1006 NAG A N2 7356 O O3 . NAG H . ? 0.5349 0.6534 0.3150 -0.0212 -0.0123 -0.1374 1006 NAG A O3 7357 O O4 . NAG H . ? 0.5523 0.4389 0.5771 -0.0977 0.0694 -0.0402 1006 NAG A O4 7358 O O5 . NAG H . ? 0.3231 0.6273 0.3446 0.1162 0.1009 0.1498 1006 NAG A O5 7359 O O6 . NAG H . ? 0.9554 0.5468 0.5674 -0.4415 -0.2809 0.1588 1006 NAG A O6 7360 O O7 . NAG H . ? 0.4609 0.2940 0.3688 -0.1263 -0.0800 0.0850 1006 NAG A O7 7361 C C1 . NAG I . ? 0.5953 0.8138 0.7167 0.1098 0.0699 0.0957 1007 NAG A C1 7362 C C2 . NAG I . ? 0.6539 1.2099 0.8688 0.0960 0.0037 -0.0813 1007 NAG A C2 7363 C C3 . NAG I . ? 0.8080 0.9832 1.1057 0.0070 -0.2687 0.0358 1007 NAG A C3 7364 C C4 . NAG I . ? 0.8640 0.9471 1.1357 0.0097 -0.2872 0.0286 1007 NAG A C4 7365 C C5 . NAG I . ? 0.4058 0.6418 1.1297 0.0374 -0.2537 0.1062 1007 NAG A C5 7366 C C6 . NAG I . ? 0.8006 0.6264 1.0211 0.0126 -0.3809 0.1100 1007 NAG A C6 7367 C C7 . NAG I . ? 0.4041 1.2455 0.5932 -0.0639 -0.0198 -0.1125 1007 NAG A C7 7368 C C8 . NAG I . ? 0.6775 1.2794 1.0569 -0.0322 -0.4401 -0.0524 1007 NAG A C8 7369 N N2 . NAG I . ? 0.4487 1.3265 0.4957 0.0832 -0.1417 -0.0523 1007 NAG A N2 7370 O O3 . NAG I . ? 0.5813 1.0753 1.1780 -0.0797 -0.2533 -0.0532 1007 NAG A O3 7371 O O4 . NAG I . ? 0.6881 0.8181 1.9857 0.2516 0.1112 -0.1347 1007 NAG A O4 7372 O O5 . NAG I . ? 0.4782 0.8016 0.8002 0.2508 -0.1758 0.0034 1007 NAG A O5 7373 O O6 . NAG I . ? 0.8183 0.3920 1.7190 -0.0372 -0.3346 0.2970 1007 NAG A O6 7374 O O7 . NAG I . ? 0.4750 0.8975 0.5150 0.0753 0.0307 -0.0957 1007 NAG A O7 7375 C C1 . NAG J . ? 1.2923 0.9193 0.5227 -0.5839 0.1020 0.2206 1008 NAG A C1 7376 C C2 . NAG J . ? 1.3390 0.9040 0.7914 -0.5644 0.1718 0.1721 1008 NAG A C2 7377 C C3 . NAG J . ? 1.0299 1.2583 1.5056 -0.6406 -0.2042 0.5809 1008 NAG A C3 7378 C C4 . NAG J . ? 0.6914 1.1271 2.1661 0.0731 -0.8380 0.9447 1008 NAG A C4 7379 C C5 . NAG J . ? 0.8241 1.0780 0.0674 0.7728 0.0020 -0.0514 1008 NAG A C5 7380 C C6 . NAG J . ? 1.1046 1.3193 0.1005 1.0662 -0.0513 -0.1417 1008 NAG A C6 7381 C C7 . NAG J . ? 0.4692 0.7664 0.6568 0.2142 0.1263 0.2232 1008 NAG A C7 7382 C C8 . NAG J . ? 0.5223 0.8840 0.9120 0.3623 0.1538 0.0239 1008 NAG A C8 7383 N N2 . NAG J . ? 0.8964 1.0344 0.9613 -0.0523 0.0047 0.0997 1008 NAG A N2 7384 O O3 . NAG J . ? 0.7021 2.4413 0.5347 -0.3164 -0.0797 0.6511 1008 NAG A O3 7385 O O4 . NAG J . ? 1.5100 1.6801 1.1494 -0.1294 -0.7057 0.1599 1008 NAG A O4 7386 O O5 . NAG J . ? 1.3263 1.2784 0.3302 -0.0116 -0.1282 0.2187 1008 NAG A O5 7387 O O6 . NAG J . ? 1.8530 1.3829 0.8699 0.2736 -0.7662 0.4314 1008 NAG A O6 7388 O O7 . NAG J . ? 0.7802 0.9545 0.8113 0.0342 0.3442 0.3940 1008 NAG A O7 7389 C C1 . NAG K . ? 1.2572 1.6120 1.1869 0.2791 -0.3187 0.5431 1009 NAG A C1 7390 C C2 . NAG K . ? 1.0842 2.3801 0.6198 0.2346 -0.6418 0.4957 1009 NAG A C2 7391 C C3 . NAG K . ? 2.2318 3.9990 0.9328 -0.5634 -1.1437 1.3239 1009 NAG A C3 7392 C C4 . NAG K . ? 1.1005 2.7448 0.9151 -0.9560 -0.1564 0.5812 1009 NAG A C4 7393 C C5 . NAG K . ? 1.4071 0.9230 1.2675 -0.1164 -0.1084 0.2587 1009 NAG A C5 7394 C C6 . NAG K . ? 0.4779 0.6365 1.3813 -0.4701 -0.1610 0.3887 1009 NAG A C6 7395 C C7 . NAG K . ? 1.0918 1.5207 1.2190 0.0630 -0.2842 -0.0022 1009 NAG A C7 7396 C C8 . NAG K . ? 1.6634 1.5118 0.6729 0.2313 -0.0731 -0.2515 1009 NAG A C8 7397 N N2 . NAG K . ? 1.2087 2.3867 0.7666 0.1707 -0.2947 0.2425 1009 NAG A N2 7398 O O3 . NAG K . ? 1.2025 4.1292 0.8715 -0.1612 0.5826 0.5774 1009 NAG A O3 7399 O O4 . NAG K . ? 1.4603 2.4426 0.6749 -0.6623 0.0140 0.3071 1009 NAG A O4 7400 O O5 . NAG K . ? 1.3341 1.1453 1.4713 -0.0835 -0.2808 0.3331 1009 NAG A O5 7401 O O6 . NAG K . ? 0.5574 0.6479 2.3276 -0.5084 -0.0705 0.2905 1009 NAG A O6 7402 O O7 . NAG K . ? 1.2496 1.1610 1.3606 -0.3875 -0.1209 0.0729 1009 NAG A O7 7403 C C1 . NAG L . ? 0.9926 0.2179 1.2627 -0.0559 -0.0890 0.1897 1010 NAG A C1 7404 C C2 . NAG L . ? 0.8794 0.8684 1.0932 -0.2920 -0.1149 0.0308 1010 NAG A C2 7405 C C3 . NAG L . ? 0.8593 1.3065 1.3968 -0.1044 -0.0677 0.5700 1010 NAG A C3 7406 C C4 . NAG L . ? 1.5517 1.1768 1.5460 -0.7553 -0.5713 1.2616 1010 NAG A C4 7407 C C5 . NAG L . ? 1.3463 0.4897 0.8348 -0.2566 -0.2420 -0.0937 1010 NAG A C5 7408 C C6 . NAG L . ? 0.8074 0.4008 0.9315 -0.0371 -0.3245 -0.0826 1010 NAG A C6 7409 C C7 . NAG L . ? 1.3275 0.2644 1.4175 0.0036 -0.2807 -0.0141 1010 NAG A C7 7410 C C8 . NAG L . ? 1.2955 0.3719 1.5503 0.3203 -0.3886 -0.2278 1010 NAG A C8 7411 N N2 . NAG L . ? 1.1258 0.5143 1.0126 0.0672 -0.2512 0.1114 1010 NAG A N2 7412 O O3 . NAG L . ? 1.2011 0.2853 1.0572 -0.0802 -0.6503 0.0888 1010 NAG A O3 7413 O O4 . NAG L . ? 1.5083 1.0763 1.9637 -0.7556 -0.6309 1.3012 1010 NAG A O4 7414 O O5 . NAG L . ? 0.5403 0.5471 1.1587 0.0482 -0.1130 0.0717 1010 NAG A O5 7415 O O6 . NAG L . ? 1.1538 0.5541 1.0285 -0.1150 -0.0630 -0.0289 1010 NAG A O6 7416 O O7 . NAG L . ? 0.9767 0.4153 1.4261 -0.0079 -0.4273 0.1520 1010 NAG A O7 7417 C C1 . NAG M . ? 1.9991 0.8018 1.6743 -0.1107 -0.2548 0.0638 1011 NAG A C1 7418 C C2 . NAG M . ? 0.6313 1.1104 1.4946 -0.2058 -0.3193 -0.0959 1011 NAG A C2 7419 C C3 . NAG M . ? 1.3340 0.8977 1.6806 0.0361 -0.0962 0.1324 1011 NAG A C3 7420 C C4 . NAG M . ? 1.9397 1.2250 1.8178 -0.2496 -0.4585 0.2346 1011 NAG A C4 7421 C C5 . NAG M . ? 1.4820 1.0268 1.7021 -0.1286 -0.4621 -0.2612 1011 NAG A C5 7422 C C6 . NAG M . ? 1.4218 1.3441 1.7548 0.2668 -0.9523 0.1515 1011 NAG A C6 7423 C C7 . NAG M . ? 1.0803 0.4874 1.4725 -0.1006 -0.1616 -0.0394 1011 NAG A C7 7424 C C8 . NAG M . ? 1.1269 0.5547 1.3523 -0.1993 -0.1066 0.0718 1011 NAG A C8 7425 N N2 . NAG M . ? 0.9961 0.1729 1.1154 0.0205 -0.2880 -0.0232 1011 NAG A N2 7426 O O3 . NAG M . ? 1.3066 0.5071 1.6839 -0.0722 -0.3919 -0.1908 1011 NAG A O3 7427 O O4 . NAG M . ? 2.0313 0.5939 2.8907 -0.5188 -0.1977 0.1479 1011 NAG A O4 7428 O O5 . NAG M . ? 1.9767 0.4765 1.8859 0.0274 -0.4021 0.0294 1011 NAG A O5 7429 O O6 . NAG M . ? 1.7751 0.9719 1.7442 -0.1951 -1.1241 0.1232 1011 NAG A O6 7430 O O7 . NAG M . ? 1.0381 0.5468 1.5554 -0.0147 -0.1175 -0.0812 1011 NAG A O7 7431 C C1 . NAG N . ? 1.5655 1.1659 0.2328 -1.2065 -0.4583 0.4150 1012 NAG A C1 7432 C C2 . NAG N . ? 4.3009 1.8653 0.2882 -2.7517 -0.9222 0.6019 1012 NAG A C2 7433 C C3 . NAG N . ? 4.0683 2.2017 0.1470 -2.9015 -0.5144 0.3800 1012 NAG A C3 7434 C C4 . NAG N . ? 0.5250 0.8431 0.9470 -0.4850 -0.0409 -0.4391 1012 NAG A C4 7435 C C5 . NAG N . ? 2.3838 3.0552 1.0951 -2.6010 1.3889 -1.7001 1012 NAG A C5 7436 C C6 . NAG N . ? 2.5227 2.0920 1.8138 -1.6119 2.0639 -1.5463 1012 NAG A C6 7437 C C7 . NAG N . ? 0.8911 0.8943 1.4521 -0.4840 -0.2589 -0.0646 1012 NAG A C7 7438 C C8 . NAG N . ? 1.7944 0.8897 0.5938 -0.7145 0.0060 -0.2317 1012 NAG A C8 7439 N N2 . NAG N . ? 1.9517 0.5019 1.8356 -0.5809 -1.0695 0.2512 1012 NAG A N2 7440 O O3 . NAG N . ? 2.6753 2.0980 1.4969 -1.5622 0.5582 0.7741 1012 NAG A O3 7441 O O4 . NAG N . ? 0.6005 0.5834 0.9515 -0.3867 -0.3018 -0.1677 1012 NAG A O4 7442 O O5 . NAG N . ? 3.5451 2.8877 0.3973 -2.9619 0.3037 -0.4355 1012 NAG A O5 7443 O O6 . NAG N . ? 1.1958 3.2304 0.6092 -1.4583 -0.1203 0.0973 1012 NAG A O6 7444 O O7 . NAG N . ? 1.2467 0.5695 0.7289 -0.1149 -0.3115 0.0443 1012 NAG A O7 7445 C C1 . NAG O . ? 1.2986 0.9823 1.0687 -0.2559 -0.0654 -0.3631 1013 NAG A C1 7446 C C2 . NAG O . ? 1.3292 0.9825 1.0165 -0.7555 -0.0464 -0.1295 1013 NAG A C2 7447 C C3 . NAG O . ? 1.4172 1.0987 1.0694 -0.1967 -0.1177 -0.0089 1013 NAG A C3 7448 C C4 . NAG O . ? 1.3067 1.2405 1.6679 -0.6760 -0.1811 0.0779 1013 NAG A C4 7449 C C5 . NAG O . ? 1.2976 0.6774 1.4168 -0.2924 0.0273 0.1019 1013 NAG A C5 7450 C C6 . NAG O . ? 1.2130 0.5596 2.2452 0.1460 0.2951 0.5121 1013 NAG A C6 7451 C C7 . NAG O . ? 0.9645 1.4170 0.6177 -0.5665 -0.2074 0.0257 1013 NAG A C7 7452 C C8 . NAG O . ? 0.7620 1.1302 0.2675 -0.3660 0.3044 -0.3352 1013 NAG A C8 7453 N N2 . NAG O . ? 1.6705 1.3185 0.3829 -0.2225 -0.0660 -0.1068 1013 NAG A N2 7454 O O3 . NAG O . ? 1.7241 0.8851 0.4841 -0.4676 0.3859 -0.0853 1013 NAG A O3 7455 O O4 . NAG O . ? 1.9137 1.5736 0.7507 0.4979 0.6313 0.6749 1013 NAG A O4 7456 O O5 . NAG O . ? 1.2268 1.2143 1.0368 -0.4372 -0.2993 -0.2820 1013 NAG A O5 7457 O O6 . NAG O . ? 1.1611 1.2066 1.8035 0.2285 0.5505 -0.1384 1013 NAG A O6 7458 O O7 . NAG O . ? 1.8779 1.6700 1.7226 -1.3103 0.8607 -1.3561 1013 NAG A O7 7459 C C1 . NAG P . ? 0.6091 0.4665 0.3485 0.1314 -0.0167 0.0121 1014 NAG A C1 7460 C C2 . NAG P . ? 0.5853 0.5045 0.3214 0.0498 0.1347 -0.0065 1014 NAG A C2 7461 C C3 . NAG P . ? 0.6833 0.3646 0.4132 0.2185 0.0695 -0.1562 1014 NAG A C3 7462 C C4 . NAG P . ? 0.7221 0.5167 0.3912 0.0016 -0.0364 -0.2496 1014 NAG A C4 7463 C C5 . NAG P . ? 0.6825 0.5162 0.5030 -0.1190 -0.0695 -0.0874 1014 NAG A C5 7464 C C6 . NAG P . ? 0.8359 0.4870 0.3624 0.1971 0.0494 0.1032 1014 NAG A C6 7465 C C7 . NAG P . ? 0.7097 0.6090 0.1740 0.2869 -0.0921 0.0287 1014 NAG A C7 7466 C C8 . NAG P . ? 0.7393 0.6843 0.2140 0.2458 0.1825 -0.1076 1014 NAG A C8 7467 N N2 . NAG P . ? 0.4502 0.7698 0.4054 0.0834 0.0182 -0.2117 1014 NAG A N2 7468 O O3 . NAG P . ? 0.7118 1.0114 0.2453 0.5106 -0.0880 -0.1254 1014 NAG A O3 7469 O O4 . NAG P . ? 0.6941 0.7402 0.4974 0.1569 -0.0050 -0.1720 1014 NAG A O4 7470 O O5 . NAG P . ? 0.3520 0.5316 0.4266 0.0311 0.0998 -0.0513 1014 NAG A O5 7471 O O6 . NAG P . ? 0.7376 0.3987 0.2657 0.0387 0.0938 -0.0784 1014 NAG A O6 7472 O O7 . NAG P . ? 0.5793 0.6493 0.5564 0.2449 -0.0947 -0.1824 1014 NAG A O7 7473 C C1 . NAG Q . ? 0.8303 0.7886 0.8428 0.1097 -0.0983 -0.2483 1015 NAG A C1 7474 C C2 . NAG Q . ? 0.7888 1.1174 0.8426 0.2653 0.2479 -0.0301 1015 NAG A C2 7475 C C3 . NAG Q . ? 0.9653 0.7499 0.7693 0.4520 0.0175 0.0595 1015 NAG A C3 7476 C C4 . NAG Q . ? 0.7268 1.4296 1.2586 0.3692 -0.0150 -0.0199 1015 NAG A C4 7477 C C5 . NAG Q . ? 1.1051 1.0432 0.8323 0.0241 -0.0708 -0.5421 1015 NAG A C5 7478 C C6 . NAG Q . ? 0.8383 1.4479 1.1354 0.1482 0.3133 -1.0957 1015 NAG A C6 7479 C C7 . NAG Q . ? 1.2889 2.0055 2.4468 0.2636 1.6952 0.1942 1015 NAG A C7 7480 C C8 . NAG Q . ? 1.1778 1.3592 0.2937 -0.1363 -0.0783 0.3714 1015 NAG A C8 7481 N N2 . NAG Q . ? 0.6420 1.7523 0.2458 0.2861 -0.0268 0.0222 1015 NAG A N2 7482 O O3 . NAG Q . ? 1.1453 1.3004 0.5162 0.5198 0.0206 -0.0195 1015 NAG A O3 7483 O O4 . NAG Q . ? 0.9689 1.1951 1.0666 0.1810 0.2958 0.0914 1015 NAG A O4 7484 O O5 . NAG Q . ? 0.7832 0.6861 0.5839 0.1932 -0.2296 -0.1250 1015 NAG A O5 7485 O O6 . NAG Q . ? 0.8217 1.9682 0.9880 -0.1674 0.3425 -1.2425 1015 NAG A O6 7486 O O7 . NAG Q . ? 0.4489 3.6070 0.9090 0.3671 0.4578 0.6472 1015 NAG A O7 7487 C C1 . NAG R . ? 1.0715 3.0864 1.9539 -0.5767 0.7959 0.8045 1016 NAG A C1 7488 C C2 . NAG R . ? 2.2690 1.5154 1.4140 -0.0794 -0.3245 -0.6122 1016 NAG A C2 7489 C C3 . NAG R . ? 1.1617 1.3172 1.8750 -0.5353 -1.0149 -0.3695 1016 NAG A C3 7490 C C4 . NAG R . ? 1.4873 1.8271 0.1235 -0.5668 0.0232 0.0904 1016 NAG A C4 7491 C C5 . NAG R . ? 1.4013 1.7540 0.1668 -0.8034 0.3576 -0.0725 1016 NAG A C5 7492 C C6 . NAG R . ? 1.5888 1.8141 0.4542 -0.5410 0.2550 -0.1608 1016 NAG A C6 7493 C C7 . NAG R . ? 0.4447 2.3242 1.6305 0.0211 -0.2814 0.8685 1016 NAG A C7 7494 C C8 . NAG R . ? 1.0596 1.7695 1.4180 -0.4472 0.0109 0.5635 1016 NAG A C8 7495 N N2 . NAG R . ? 1.0376 1.9424 1.4860 -0.3411 0.1946 -0.1122 1016 NAG A N2 7496 O O3 . NAG R . ? 1.2503 2.2447 3.5468 -0.7042 -1.2632 -1.0227 1016 NAG A O3 7497 O O4 . NAG R . ? 1.5606 2.6236 0.0748 -0.4937 0.0188 0.0407 1016 NAG A O4 7498 O O5 . NAG R . ? 2.2777 2.0440 0.1918 -1.7238 0.5271 -0.3472 1016 NAG A O5 7499 O O6 . NAG R . ? 1.4358 2.8140 0.3039 -1.0275 0.3649 -0.2578 1016 NAG A O6 7500 O O7 . NAG R . ? 0.4372 3.5647 1.9681 0.3329 -0.1173 1.5101 1016 NAG A O7 7501 C C1 . NAG S . ? 0.7405 0.4801 0.9703 0.0352 0.1443 -0.0512 1017 NAG A C1 7502 C C2 . NAG S . ? 0.5487 1.9977 1.5167 -0.2333 0.1346 -0.5483 1017 NAG A C2 7503 C C3 . NAG S . ? 1.4186 3.2333 0.2976 -2.0333 0.4789 -0.8034 1017 NAG A C3 7504 C C4 . NAG S . ? 1.8963 2.2827 0.5306 0.2425 0.7477 0.2927 1017 NAG A C4 7505 C C5 . NAG S . ? 1.4236 0.8179 1.3890 0.2799 0.3195 0.3712 1017 NAG A C5 7506 C C6 . NAG S . ? 1.0995 0.9374 1.7022 0.2623 0.6501 0.2962 1017 NAG A C6 7507 C C7 . NAG S . ? 0.6292 0.9248 2.7414 -0.1911 0.8547 -0.9409 1017 NAG A C7 7508 C C8 . NAG S . ? 0.6203 1.1380 1.8721 -0.0558 -0.0093 -0.8569 1017 NAG A C8 7509 N N2 . NAG S . ? 0.5586 2.0597 1.4617 -0.0086 0.3191 -0.7107 1017 NAG A N2 7510 O O3 . NAG S . ? 1.2293 4.3177 0.8761 -1.8485 0.2614 -1.3039 1017 NAG A O3 7511 O O4 . NAG S . ? 0.6302 1.9116 1.2475 -0.0322 -0.1893 -0.0681 1017 NAG A O4 7512 O O5 . NAG S . ? 0.5126 0.7795 0.8507 -0.1379 -0.2191 0.1929 1017 NAG A O5 7513 O O6 . NAG S . ? 1.1783 0.5844 1.7905 0.2836 0.7197 0.1780 1017 NAG A O6 7514 O O7 . NAG S . ? 1.6517 1.2863 3.5118 0.1427 1.9857 -0.7426 1017 NAG A O7 7515 C C1 . NAG T . ? 0.8969 1.2549 1.7265 -0.0944 -0.1416 0.0807 1018 NAG A C1 7516 C C2 . NAG T . ? 1.3616 1.4027 1.4130 -0.0132 -0.2040 0.4268 1018 NAG A C2 7517 C C3 . NAG T . ? 1.2213 1.4397 1.4112 0.0633 -0.2141 0.4338 1018 NAG A C3 7518 C C4 . NAG T . ? 1.0763 1.7497 1.4338 0.1131 -0.2874 0.3551 1018 NAG A C4 7519 C C5 . NAG T . ? 1.3603 1.4825 1.7707 -0.0113 0.2893 0.0571 1018 NAG A C5 7520 C C6 . NAG T . ? 1.3460 2.0123 1.4252 -0.0363 1.2063 -0.1925 1018 NAG A C6 7521 C C7 . NAG T . ? 0.9863 0.9243 1.5387 0.1003 -0.0952 0.1674 1018 NAG A C7 7522 C C8 . NAG T . ? 1.1375 0.9773 1.2770 -0.0652 0.1078 0.2479 1018 NAG A C8 7523 N N2 . NAG T . ? 0.9438 1.0484 1.2748 -0.0420 -0.0352 0.2499 1018 NAG A N2 7524 O O3 . NAG T . ? 1.5930 1.1086 1.6772 -0.2571 -0.1969 0.1960 1018 NAG A O3 7525 O O4 . NAG T . ? 1.0023 1.5871 1.4791 0.2918 -0.3350 0.1672 1018 NAG A O4 7526 O O5 . NAG T . ? 1.3253 1.3315 1.7936 0.2589 -0.1800 0.1737 1018 NAG A O5 7527 O O6 . NAG T . ? 1.3245 2.3570 1.5327 0.4327 1.1857 0.1918 1018 NAG A O6 7528 O O7 . NAG T . ? 1.0377 0.3684 1.8414 0.0825 0.1822 0.1166 1018 NAG A O7 7529 C C1 . NAG U . ? 1.5741 0.7037 1.0306 0.2569 -0.1319 -0.3859 1019 NAG A C1 7530 C C2 . NAG U . ? 2.5278 0.5859 1.3611 0.3832 -0.2575 -0.2388 1019 NAG A C2 7531 C C3 . NAG U . ? 2.4841 1.0120 1.0022 0.5842 -0.2387 -0.8790 1019 NAG A C3 7532 C C4 . NAG U . ? 2.2888 0.9836 1.5757 0.2999 -0.0600 -0.0651 1019 NAG A C4 7533 C C5 . NAG U . ? 1.1893 0.6636 1.5354 0.5206 -0.6970 0.2651 1019 NAG A C5 7534 C C6 . NAG U . ? 1.0550 0.8835 1.6125 0.4761 -0.7584 0.3638 1019 NAG A C6 7535 C C7 . NAG U . ? 2.0203 0.9286 1.3108 0.1288 -0.2052 0.0856 1019 NAG A C7 7536 C C8 . NAG U . ? 1.5951 0.5204 1.3662 -0.0180 -0.0434 0.0234 1019 NAG A C8 7537 N N2 . NAG U . ? 2.1233 0.5517 1.3405 0.1878 -0.0291 0.0175 1019 NAG A N2 7538 O O3 . NAG U . ? 3.4262 0.7962 1.1686 0.2374 0.2512 -0.8033 1019 NAG A O3 7539 O O4 . NAG U . ? 2.3519 0.6676 1.4773 0.2878 0.0822 -0.1532 1019 NAG A O4 7540 O O5 . NAG U . ? 1.7177 0.7019 1.3951 0.1333 -0.2564 -0.0331 1019 NAG A O5 7541 O O6 . NAG U . ? 1.7659 1.1421 1.8829 0.1233 -0.3918 0.6039 1019 NAG A O6 7542 O O7 . NAG U . ? 1.4820 1.2851 1.0496 0.1154 -0.4028 -0.0427 1019 NAG A O7 7543 S S . SO4 V . ? 0.7325 0.6808 0.7218 0.0217 0.0370 -0.0451 1020 SO4 A S 7544 O O1 . SO4 V . ? 0.6427 0.8983 0.9455 0.0187 -0.1364 -0.1029 1020 SO4 A O1 7545 O O2 . SO4 V . ? 0.7588 0.6639 0.5490 -0.0400 0.0334 -0.0164 1020 SO4 A O2 7546 O O3 . SO4 V . ? 1.0549 0.8595 0.6896 -0.1485 -0.0248 0.0823 1020 SO4 A O3 7547 O O4 . SO4 V . ? 1.2396 0.5767 1.1278 -0.1517 0.0775 0.0061 1020 SO4 A O4 7548 S S . SO4 W . ? 0.8212 0.8594 0.7815 0.0116 0.0029 0.0346 1021 SO4 A S 7549 O O1 . SO4 W . ? 0.8695 0.9126 0.8877 -0.1276 0.0857 0.1427 1021 SO4 A O1 7550 O O2 . SO4 W . ? 0.9175 1.2095 1.1315 -0.1516 -0.1090 -0.1039 1021 SO4 A O2 7551 O O3 . SO4 W . ? 0.9073 0.9639 0.9208 0.1464 -0.0006 0.1910 1021 SO4 A O3 7552 O O4 . SO4 W . ? 1.0816 0.7578 0.9354 -0.0652 -0.0450 -0.0597 1021 SO4 A O4 7553 S S . SO4 X . ? 0.8247 0.7698 0.7988 -0.0068 -0.0255 -0.0692 1022 SO4 A S 7554 O O1 . SO4 X . ? 0.9195 1.1539 1.0281 -0.1317 0.1708 0.0041 1022 SO4 A O1 7555 O O2 . SO4 X . ? 0.9682 0.9302 1.1858 0.1850 -0.0399 -0.0834 1022 SO4 A O2 7556 O O3 . SO4 X . ? 0.9283 0.8342 0.7380 0.1466 -0.1549 -0.0324 1022 SO4 A O3 7557 O O4 . SO4 X . ? 1.1784 0.8700 1.2283 -0.1772 0.1081 0.1589 1022 SO4 A O4 7558 S S . SO4 Y . ? 0.7583 0.7290 0.7484 -0.0106 0.0283 0.0021 1023 SO4 A S 7559 O O1 . SO4 Y . ? 0.6818 0.9050 0.5750 -0.0902 -0.0526 0.0667 1023 SO4 A O1 7560 O O2 . SO4 Y . ? 1.0493 0.7660 1.1009 0.1380 0.0428 -0.0165 1023 SO4 A O2 7561 O O3 . SO4 Y . ? 0.6949 0.8575 0.6250 -0.0301 -0.0638 0.0283 1023 SO4 A O3 7562 O O4 . SO4 Y . ? 0.9082 0.9961 0.8742 -0.0678 0.1748 -0.0021 1023 SO4 A O4 7563 S S . SO4 Z . ? 0.7563 0.7463 0.7836 -0.0412 0.0128 -0.0021 1024 SO4 A S 7564 O O1 . SO4 Z . ? 0.8172 0.6839 0.9125 -0.0256 0.0143 -0.1762 1024 SO4 A O1 7565 O O2 . SO4 Z . ? 0.8519 0.9196 0.7868 -0.1949 -0.0895 -0.2280 1024 SO4 A O2 7566 O O3 . SO4 Z . ? 1.0267 0.9240 0.9235 0.0526 0.0539 0.1844 1024 SO4 A O3 7567 O O4 . SO4 Z . ? 1.4714 0.7173 1.2841 0.0639 -0.0068 -0.1005 1024 SO4 A O4 7568 S S . SO4 AA . ? 0.8339 0.8506 0.7777 -0.0081 -0.0189 0.0424 1025 SO4 A S 7569 O O1 . SO4 AA . ? 0.8227 0.9359 0.9429 -0.1315 0.0122 0.1177 1025 SO4 A O1 7570 O O2 . SO4 AA . ? 1.0399 1.2127 1.0795 -0.2470 -0.1697 -0.0371 1025 SO4 A O2 7571 O O3 . SO4 AA . ? 0.9599 0.8921 0.9083 0.0376 0.0492 0.2180 1025 SO4 A O3 7572 O O4 . SO4 AA . ? 0.9590 1.0250 0.8423 0.0725 0.0276 -0.0159 1025 SO4 A O4 7573 S S . SO4 BA . ? 0.8486 0.8905 0.9120 -0.0272 0.0013 0.0493 1026 SO4 A S 7574 O O1 . SO4 BA . ? 0.8315 0.8317 0.7715 0.0156 -0.0870 0.0456 1026 SO4 A O1 7575 O O2 . SO4 BA . ? 0.6530 0.8395 0.9504 0.0758 -0.0360 0.0014 1026 SO4 A O2 7576 O O3 . SO4 BA . ? 1.0514 1.0472 1.0029 0.0929 -0.2013 0.0563 1026 SO4 A O3 7577 O O4 . SO4 BA . ? 1.1571 0.9566 0.9879 0.0728 -0.0340 -0.1075 1026 SO4 A O4 7578 S S . SO4 CA . ? 0.7650 0.7215 0.8044 -0.0098 -0.0121 -0.0348 1027 SO4 A S 7579 O O1 . SO4 CA . ? 1.0793 0.8456 0.9946 -0.1820 0.1255 0.0437 1027 SO4 A O1 7580 O O2 . SO4 CA . ? 1.0336 0.9073 0.9178 0.0546 0.0506 -0.1333 1027 SO4 A O2 7581 O O3 . SO4 CA . ? 0.8323 0.8860 1.0395 -0.0836 0.0904 -0.1860 1027 SO4 A O3 7582 O O4 . SO4 CA . ? 0.7995 0.9381 0.7818 -0.0545 -0.0779 -0.0440 1027 SO4 A O4 7583 S S . SO4 DA . ? 0.7580 0.7406 0.6487 -0.0058 -0.0589 -0.0147 1028 SO4 A S 7584 O O1 . SO4 DA . ? 0.9483 0.9410 0.6122 -0.0172 0.1805 -0.1688 1028 SO4 A O1 7585 O O2 . SO4 DA . ? 0.4875 0.5756 0.4635 0.1845 0.1886 0.0223 1028 SO4 A O2 7586 O O3 . SO4 DA . ? 0.9552 0.6748 0.6652 -0.2009 -0.0791 -0.0050 1028 SO4 A O3 7587 O O4 . SO4 DA . ? 0.5738 0.5940 0.4274 0.0758 -0.0319 -0.1202 1028 SO4 A O4 7588 S S . SO4 EA . ? 0.8170 0.8393 0.7914 -0.0098 -0.0790 -0.0012 1029 SO4 A S 7589 O O1 . SO4 EA . ? 0.7889 1.0729 1.0481 -0.0146 0.0680 0.0644 1029 SO4 A O1 7590 O O2 . SO4 EA . ? 1.0886 0.8178 1.1139 -0.2383 -0.0220 0.0465 1029 SO4 A O2 7591 O O3 . SO4 EA . ? 1.0545 0.7414 0.8285 -0.0271 -0.1555 -0.2311 1029 SO4 A O3 7592 O O4 . SO4 EA . ? 0.9198 0.8438 0.9318 0.0923 -0.2576 0.0055 1029 SO4 A O4 7593 O O . HOH FA . ? 0.4954 0.3889 0.4367 0.0089 0.0316 -0.0876 1101 HOH A O 7594 O O . HOH FA . ? 0.5477 0.5775 0.4410 -0.0012 0.0792 0.0110 1102 HOH A O 7595 O O . HOH FA . ? 0.6776 0.8853 0.5393 0.1024 0.1484 -0.0267 1103 HOH A O 7596 O O . HOH FA . ? 0.7199 0.6369 0.8029 -0.0796 0.1048 0.0324 1104 HOH A O 7597 O O . HOH FA . ? 0.3823 0.6130 0.4786 -0.0328 0.0026 -0.0071 1105 HOH A O 7598 O O . HOH FA . ? 0.3857 0.5385 0.4610 -0.0358 0.0436 -0.0350 1106 HOH A O 7599 O O . HOH FA . ? 0.7169 0.6677 0.7637 0.2322 0.1254 0.1765 1107 HOH A O 7600 O O . HOH FA . ? 0.6153 0.4907 0.5828 -0.0275 -0.0282 -0.0316 1108 HOH A O 7601 O O . HOH FA . ? 0.4842 0.6047 0.5615 0.0213 -0.0496 -0.0295 1109 HOH A O 7602 O O . HOH FA . ? 0.5596 0.6180 0.4305 0.0920 -0.0777 -0.0579 1110 HOH A O 7603 O O . HOH FA . ? 0.5448 0.4996 0.4023 -0.0947 0.1355 -0.1021 1111 HOH A O 7604 O O . HOH FA . ? 0.6220 0.5797 0.6937 0.0823 -0.0186 -0.0131 1112 HOH A O 7605 O O . HOH FA . ? 0.3981 0.4165 0.3181 -0.0642 0.0498 -0.0225 1113 HOH A O 7606 O O . HOH FA . ? 0.4684 0.3365 0.3699 -0.0314 0.1339 0.0954 1114 HOH A O 7607 O O . HOH FA . ? 0.5135 0.4390 0.3477 -0.0577 0.1114 0.0132 1115 HOH A O 7608 O O . HOH FA . ? 0.3632 0.4171 0.4405 -0.1173 0.0989 0.0007 1116 HOH A O 7609 O O . HOH FA . ? 0.4870 0.4851 0.4011 0.0217 0.0061 -0.1627 1117 HOH A O 7610 O O . HOH FA . ? 0.6870 0.5725 0.5961 0.0052 0.0748 -0.0296 1118 HOH A O 7611 O O . HOH FA . ? 0.4554 0.3561 0.3574 -0.0450 0.1190 -0.0248 1119 HOH A O 7612 O O . HOH FA . ? 0.5354 0.6470 0.4005 -0.0662 0.0800 0.1176 1120 HOH A O 7613 O O . HOH FA . ? 0.5626 0.4894 0.4495 -0.1939 -0.0451 0.0763 1121 HOH A O 7614 O O . HOH FA . ? 0.5575 0.4286 0.5073 0.0503 0.1614 0.0392 1122 HOH A O 7615 O O . HOH FA . ? 0.5817 0.6855 0.6677 -0.1625 0.0358 0.0228 1123 HOH A O 7616 O O . HOH FA . ? 0.5251 0.4737 0.3864 -0.0447 0.0235 0.0659 1124 HOH A O 7617 O O . HOH FA . ? 0.5806 0.7242 0.5460 0.0026 -0.0703 -0.0998 1125 HOH A O 7618 O O . HOH FA . ? 0.5588 0.5601 0.4819 -0.1034 0.0595 -0.2066 1126 HOH A O 7619 O O . HOH FA . ? 0.5273 0.6236 0.5988 -0.1700 0.0736 -0.0035 1127 HOH A O 7620 O O . HOH FA . ? 0.7085 0.5384 0.5702 -0.0496 -0.0108 -0.0403 1128 HOH A O 7621 O O . HOH FA . ? 0.6976 0.6971 0.6994 -0.0193 0.0041 -0.1914 1129 HOH A O 7622 O O . HOH FA . ? 0.5780 0.5284 0.5090 -0.0946 0.1096 0.0373 1130 HOH A O 7623 O O . HOH FA . ? 0.6230 0.6353 0.4951 -0.0384 -0.0038 -0.0160 1131 HOH A O 7624 O O . HOH FA . ? 0.4989 0.4664 0.4811 -0.0997 0.0284 -0.1297 1132 HOH A O 7625 O O . HOH FA . ? 0.4980 0.6577 0.6672 0.1172 0.1286 0.2306 1133 HOH A O 7626 O O . HOH FA . ? 0.5503 0.8421 0.9938 -0.0332 -0.0459 -0.0044 1134 HOH A O 7627 O O . HOH FA . ? 0.6945 0.5383 0.5967 -0.0279 0.0126 -0.0218 1135 HOH A O 7628 O O . HOH FA . ? 0.5946 0.5531 0.6407 -0.0491 0.0415 0.0594 1136 HOH A O 7629 O O . HOH FA . ? 0.5725 0.6669 0.7254 -0.1921 -0.0242 -0.0223 1137 HOH A O 7630 O O . HOH FA . ? 0.6717 0.7024 0.5975 -0.1231 -0.1378 0.0525 1138 HOH A O 7631 O O . HOH FA . ? 0.4921 0.6268 0.4962 -0.0012 0.0640 -0.0478 1139 HOH A O 7632 O O . HOH FA . ? 0.7566 0.5210 0.5324 0.0108 0.0027 -0.1505 1140 HOH A O 7633 O O . HOH FA . ? 0.8004 0.8133 0.8319 0.0689 0.0611 0.0727 1141 HOH A O 7634 O O . HOH FA . ? 0.4779 0.5282 0.6326 -0.0537 0.0010 -0.0579 1142 HOH A O 7635 O O . HOH FA . ? 0.8809 0.7998 0.6380 -0.0331 -0.1153 -0.1271 1143 HOH A O 7636 O O . HOH FA . ? 0.5860 0.4852 0.7044 -0.0114 0.0546 -0.1259 1144 HOH A O 7637 O O . HOH FA . ? 0.8745 1.0265 0.4852 -0.0431 -0.0225 -0.0089 1145 HOH A O 7638 O O . HOH FA . ? 0.6636 0.7530 0.5957 0.1605 0.0067 -0.1805 1146 HOH A O 7639 O O . HOH FA . ? 0.4546 0.6419 0.5479 -0.0697 0.0319 0.0787 1147 HOH A O 7640 O O . HOH FA . ? 0.4853 0.2833 0.5310 0.0350 0.0339 0.0123 1148 HOH A O 7641 O O . HOH FA . ? 0.3298 0.3490 0.3359 -0.0067 -0.0183 -0.0493 1149 HOH A O 7642 O O . HOH FA . ? 0.4622 0.5326 0.3080 -0.1134 0.1103 -0.0943 1150 HOH A O 7643 O O . HOH FA . ? 0.3476 0.2885 0.2483 -0.0663 0.0686 -0.0341 1151 HOH A O 7644 O O . HOH FA . ? 0.3494 0.3158 0.4015 -0.0539 0.0509 0.0529 1152 HOH A O 7645 O O . HOH FA . ? 0.5360 0.4011 0.3657 -0.0626 0.1135 0.0395 1153 HOH A O 7646 O O . HOH FA . ? 0.3732 0.2913 0.2397 -0.0473 0.0300 0.0244 1154 HOH A O 7647 O O . HOH FA . ? 0.3800 0.3841 0.2999 0.0454 0.0086 0.0298 1155 HOH A O 7648 O O . HOH FA . ? 0.4359 0.3555 0.4010 -0.0200 0.0077 -0.0287 1156 HOH A O 7649 O O . HOH FA . ? 0.3458 0.3115 0.3228 -0.0655 0.0803 0.0152 1157 HOH A O 7650 O O . HOH FA . ? 0.5056 0.2923 0.5104 0.0158 0.0601 -0.0032 1158 HOH A O 7651 O O . HOH FA . ? 0.3298 0.3079 0.2876 -0.0480 0.0366 -0.0239 1159 HOH A O 7652 O O . HOH FA . ? 0.3117 0.2888 0.3356 -0.0528 -0.0140 0.0200 1160 HOH A O 7653 O O . HOH FA . ? 0.5028 0.4843 0.2928 0.0950 0.0015 -0.0903 1161 HOH A O 7654 O O . HOH FA . ? 0.3366 0.3654 0.3480 -0.0299 0.0408 -0.0375 1162 HOH A O 7655 O O . HOH FA . ? 0.4090 0.4903 0.4239 -0.0379 0.0877 -0.1609 1163 HOH A O 7656 O O . HOH FA . ? 0.5751 0.5906 0.4648 -0.0118 0.0175 -0.1393 1164 HOH A O 7657 O O . HOH FA . ? 0.3446 0.2618 0.2894 -0.0427 0.0436 0.0313 1165 HOH A O 7658 O O . HOH FA . ? 0.3832 0.3040 0.2365 -0.0459 -0.0050 -0.0490 1166 HOH A O 7659 O O . HOH FA . ? 0.3933 0.6297 0.6521 -0.0141 -0.0677 0.0631 1167 HOH A O 7660 O O . HOH FA . ? 0.4726 0.3932 0.3542 -0.0151 0.0770 -0.0752 1168 HOH A O 7661 O O . HOH FA . ? 0.3182 0.2596 0.2562 -0.0606 0.0421 -0.0091 1169 HOH A O 7662 O O . HOH FA . ? 0.4656 0.5093 0.7142 -0.0585 -0.0840 0.0172 1170 HOH A O 7663 O O . HOH FA . ? 0.3898 0.2983 0.2765 -0.0220 0.0580 -0.0078 1171 HOH A O 7664 O O . HOH FA . ? 0.6063 0.6308 0.7788 0.0164 -0.0174 -0.0148 1172 HOH A O 7665 O O . HOH FA . ? 0.3787 0.3409 0.3189 -0.0449 0.0057 -0.0178 1173 HOH A O 7666 O O . HOH FA . ? 0.6046 0.3983 0.4819 -0.0844 0.1085 0.0128 1174 HOH A O 7667 O O . HOH FA . ? 0.4270 0.3591 0.2663 0.0388 0.0603 -0.0325 1175 HOH A O 7668 O O . HOH FA . ? 0.4050 0.3376 0.2475 -0.0463 0.0723 0.0135 1176 HOH A O 7669 O O . HOH FA . ? 0.3314 0.2642 0.2785 0.0085 0.0624 -0.0426 1177 HOH A O 7670 O O . HOH FA . ? 0.6451 0.5328 0.3242 0.0106 0.0076 0.0556 1178 HOH A O 7671 O O . HOH FA . ? 0.3722 0.2549 0.2398 -0.0248 0.1018 -0.0179 1179 HOH A O 7672 O O . HOH FA . ? 0.7980 0.4987 0.7245 -0.1726 0.0309 -0.0745 1180 HOH A O 7673 O O . HOH FA . ? 0.3536 0.4156 0.4075 0.0385 0.0665 -0.0492 1181 HOH A O 7674 O O . HOH FA . ? 0.3751 0.3244 0.2895 0.0183 -0.0247 -0.0379 1182 HOH A O 7675 O O . HOH FA . ? 0.3563 0.2492 0.2566 -0.0087 0.0436 0.0326 1183 HOH A O 7676 O O . HOH FA . ? 0.4792 0.3727 0.3092 0.0523 0.0477 -0.0127 1184 HOH A O 7677 O O . HOH FA . ? 0.5165 0.4191 0.3865 -0.0768 0.0602 -0.0539 1185 HOH A O 7678 O O . HOH FA . ? 0.3783 0.4076 0.3082 0.0204 0.1067 -0.0413 1186 HOH A O 7679 O O . HOH FA . ? 0.3192 0.4563 0.3621 -0.0466 0.0612 -0.0286 1187 HOH A O 7680 O O . HOH FA . ? 0.3554 0.3719 0.4155 -0.0352 0.0642 0.0664 1188 HOH A O 7681 O O . HOH FA . ? 0.6117 0.6930 0.4821 -0.1526 0.0152 -0.1191 1189 HOH A O 7682 O O . HOH FA . ? 0.5231 0.4909 0.6930 0.1008 -0.0331 -0.0731 1190 HOH A O 7683 O O . HOH FA . ? 0.2923 0.3200 0.2370 -0.0037 -0.0123 0.0109 1191 HOH A O 7684 O O . HOH FA . ? 0.3491 0.2705 0.3102 -0.0509 0.0154 -0.0142 1192 HOH A O 7685 O O . HOH FA . ? 0.5285 0.4811 0.5122 0.0104 0.0832 -0.0917 1193 HOH A O 7686 O O . HOH FA . ? 0.4493 0.3736 0.4897 -0.0629 0.0086 -0.0242 1194 HOH A O 7687 O O . HOH FA . ? 0.4884 0.3233 0.5199 0.0371 0.0042 0.0637 1195 HOH A O 7688 O O . HOH FA . ? 0.5575 0.4306 0.6559 0.0741 0.0429 -0.1613 1196 HOH A O 7689 O O . HOH FA . ? 0.5691 0.7713 0.3619 0.1931 -0.0045 -0.1335 1197 HOH A O 7690 O O . HOH FA . ? 0.4316 0.3398 0.3919 -0.0052 0.0699 0.0331 1198 HOH A O 7691 O O . HOH FA . ? 0.4622 0.5553 0.4649 -0.1116 0.0701 -0.0477 1199 HOH A O 7692 O O . HOH FA . ? 0.4185 0.4554 0.3695 -0.0685 0.0270 -0.0183 1200 HOH A O 7693 O O . HOH FA . ? 0.3957 0.2500 0.2361 0.0124 0.0675 0.0073 1201 HOH A O 7694 O O . HOH FA . ? 0.4429 0.2793 0.2373 -0.0706 0.1129 -0.0547 1202 HOH A O 7695 O O . HOH FA . ? 0.4204 0.5427 0.6053 0.0227 -0.0217 -0.0519 1203 HOH A O 7696 O O . HOH FA . ? 0.5600 0.5538 0.4501 -0.0543 0.0485 0.0688 1204 HOH A O 7697 O O . HOH FA . ? 0.3836 0.2992 0.2244 -0.0546 0.0623 0.0038 1205 HOH A O 7698 O O . HOH FA . ? 0.4137 0.3059 0.3593 -0.0112 -0.0514 -0.0504 1206 HOH A O 7699 O O . HOH FA . ? 0.3536 0.2986 0.2494 -0.0184 0.0075 0.0332 1207 HOH A O 7700 O O . HOH FA . ? 0.4882 0.5362 0.5063 -0.0326 0.0546 -0.0844 1208 HOH A O 7701 O O . HOH FA . ? 0.3885 0.3956 0.3639 0.0341 0.0490 0.0295 1209 HOH A O 7702 O O . HOH FA . ? 0.5302 0.4126 0.4314 -0.0810 0.1135 -0.0794 1210 HOH A O 7703 O O . HOH FA . ? 0.3894 0.2743 0.3045 0.0059 0.0236 -0.0066 1211 HOH A O 7704 O O . HOH FA . ? 0.6054 0.6285 0.5059 -0.1155 0.0057 -0.0148 1212 HOH A O 7705 O O . HOH FA . ? 0.5280 0.5416 0.5141 -0.0357 0.0260 -0.0209 1213 HOH A O 7706 O O . HOH FA . ? 0.5100 0.4198 0.4297 0.0400 0.0248 -0.0440 1214 HOH A O 7707 O O . HOH FA . ? 0.4310 0.3807 0.3102 0.0351 0.0652 0.0348 1215 HOH A O 7708 O O . HOH FA . ? 0.4880 0.5212 0.2748 0.0278 0.0099 -0.0523 1216 HOH A O 7709 O O . HOH FA . ? 0.5611 0.4409 0.3814 -0.0039 0.1084 0.0176 1217 HOH A O 7710 O O . HOH FA . ? 0.5122 0.4499 0.4235 -0.0067 0.0277 -0.0558 1218 HOH A O 7711 O O . HOH FA . ? 0.5566 0.4232 0.6321 0.0167 -0.0097 -0.0920 1219 HOH A O 7712 O O . HOH FA . ? 0.4988 0.3602 0.3410 0.0219 0.0768 -0.0156 1220 HOH A O 7713 O O . HOH FA . ? 0.3455 0.2894 0.2790 -0.0236 0.0498 -0.0294 1221 HOH A O 7714 O O . HOH FA . ? 0.4762 0.4302 0.4638 -0.0702 0.0748 -0.1634 1222 HOH A O 7715 O O . HOH FA . ? 0.5595 0.5406 0.4870 -0.0008 0.0366 -0.0498 1223 HOH A O 7716 O O . HOH FA . ? 0.5194 0.4085 0.5425 0.1179 0.0351 -0.0077 1224 HOH A O 7717 O O . HOH FA . ? 0.4274 0.3834 0.3625 0.0125 0.0645 -0.0132 1225 HOH A O 7718 O O . HOH FA . ? 0.3914 0.5321 0.4647 -0.0277 0.0158 -0.0246 1226 HOH A O 7719 O O . HOH FA . ? 0.4905 0.5682 0.6217 0.1121 0.0625 -0.0589 1227 HOH A O 7720 O O . HOH FA . ? 0.3724 0.3238 0.4098 -0.0225 0.0582 0.0232 1228 HOH A O 7721 O O . HOH FA . ? 0.4359 0.4497 0.2544 -0.0885 0.1535 -0.0153 1229 HOH A O 7722 O O . HOH FA . ? 0.5641 0.5911 0.5191 -0.0227 0.0827 0.0274 1230 HOH A O 7723 O O . HOH FA . ? 0.3700 0.6162 0.5092 -0.0104 0.1127 -0.0350 1231 HOH A O 7724 O O . HOH FA . ? 0.3322 0.4107 0.3456 0.0386 0.0813 -0.1088 1232 HOH A O 7725 O O . HOH FA . ? 0.4673 0.4067 0.3545 -0.0785 0.0354 0.0598 1233 HOH A O 7726 O O . HOH FA . ? 0.4461 0.4625 0.4527 -0.0035 0.0194 -0.0056 1234 HOH A O 7727 O O . HOH FA . ? 0.5762 0.5450 0.4252 0.0179 -0.0910 0.0867 1235 HOH A O 7728 O O . HOH FA . ? 0.4045 0.5597 0.3294 -0.0999 0.0585 -0.0022 1236 HOH A O 7729 O O . HOH FA . ? 0.5510 0.4086 0.4349 0.0220 -0.0243 0.1352 1237 HOH A O 7730 O O . HOH FA . ? 0.5287 0.2757 0.4271 -0.0250 0.0722 -0.0264 1238 HOH A O 7731 O O . HOH FA . ? 0.3508 0.2762 0.3789 -0.0570 0.0237 0.0103 1239 HOH A O 7732 O O . HOH FA . ? 0.4967 0.5483 0.4037 0.0185 0.0835 0.0179 1240 HOH A O 7733 O O . HOH FA . ? 0.4037 0.4029 0.4376 0.0461 0.0123 0.0427 1241 HOH A O 7734 O O . HOH FA . ? 0.6012 0.5711 0.5285 0.0631 0.0453 -0.1164 1242 HOH A O 7735 O O . HOH FA . ? 0.5212 0.5074 0.4505 -0.0511 0.0758 0.1256 1243 HOH A O 7736 O O . HOH FA . ? 0.5129 0.4109 0.4229 -0.0435 0.0776 -0.1262 1244 HOH A O 7737 O O . HOH FA . ? 0.3878 0.3806 0.3740 0.0289 0.1401 0.0169 1245 HOH A O 7738 O O . HOH FA . ? 0.4427 0.3466 0.3177 -0.0215 0.1108 -0.0190 1246 HOH A O 7739 O O . HOH FA . ? 0.7061 0.4352 0.8156 0.0164 -0.1151 0.0621 1247 HOH A O 7740 O O . HOH FA . ? 0.3843 0.3033 0.3065 -0.0502 0.0045 -0.0139 1248 HOH A O 7741 O O . HOH FA . ? 0.6231 0.4707 0.5293 -0.0472 -0.0232 0.0574 1249 HOH A O 7742 O O . HOH FA . ? 0.4053 0.5765 0.3532 -0.0120 -0.1111 -0.0460 1250 HOH A O 7743 O O . HOH FA . ? 0.6475 0.4271 0.4596 0.1024 0.0501 -0.0420 1251 HOH A O 7744 O O . HOH FA . ? 0.4309 0.4388 0.3044 0.0601 0.0385 -0.0426 1252 HOH A O 7745 O O . HOH FA . ? 0.6171 0.7629 0.5622 0.0096 -0.0012 0.0618 1253 HOH A O 7746 O O . HOH FA . ? 0.4744 0.6752 0.5250 -0.1181 -0.0492 0.0345 1254 HOH A O 7747 O O . HOH FA . ? 0.4334 0.3157 0.2879 0.0631 0.1257 0.0061 1255 HOH A O 7748 O O . HOH FA . ? 0.7452 0.6986 0.6938 -0.0373 -0.1184 0.0639 1256 HOH A O 7749 O O . HOH FA . ? 0.4546 0.4874 0.5943 -0.0990 -0.0209 -0.0924 1257 HOH A O 7750 O O . HOH FA . ? 0.5125 0.5674 0.5136 -0.0707 0.2491 -0.0263 1258 HOH A O 7751 O O . HOH FA . ? 0.4836 0.5699 0.5327 -0.0054 0.0446 0.0678 1259 HOH A O 7752 O O . HOH FA . ? 0.7180 0.7327 0.6495 0.1689 0.0832 0.0106 1260 HOH A O 7753 O O . HOH FA . ? 0.5069 0.3796 0.4082 0.0976 0.1578 -0.0236 1261 HOH A O 7754 O O . HOH FA . ? 0.5773 0.6448 0.3964 0.0282 -0.0883 -0.1484 1262 HOH A O 7755 O O . HOH FA . ? 0.5363 0.4492 0.4471 0.0009 0.0160 -0.1571 1263 HOH A O 7756 O O . HOH FA . ? 0.5339 0.4325 0.2891 -0.0399 0.1644 -0.0261 1264 HOH A O 7757 O O . HOH FA . ? 0.4905 0.4079 0.4075 0.0671 0.0672 0.1096 1265 HOH A O 7758 O O . HOH FA . ? 0.4718 0.4006 0.4921 0.0223 0.1422 -0.0376 1266 HOH A O 7759 O O . HOH FA . ? 0.6869 0.8640 0.3914 -0.0076 0.1582 -0.0753 1267 HOH A O 7760 O O . HOH FA . ? 0.4689 0.4298 0.4360 0.0382 -0.0879 -0.0944 1268 HOH A O 7761 O O . HOH FA . ? 0.4602 0.4495 0.5854 0.0281 -0.0098 -0.0183 1269 HOH A O 7762 O O . HOH FA . ? 0.5196 0.4109 0.4742 -0.0648 -0.0196 0.0794 1270 HOH A O 7763 O O . HOH FA . ? 0.4432 0.5870 0.3250 0.0524 0.0391 -0.0851 1271 HOH A O 7764 O O . HOH FA . ? 0.6063 0.4642 0.3810 -0.0607 0.0616 -0.0305 1272 HOH A O 7765 O O . HOH FA . ? 0.5105 0.4411 0.3070 -0.1106 0.0412 -0.0201 1273 HOH A O 7766 O O . HOH FA . ? 0.7685 0.6056 1.1097 -0.0744 0.0259 0.0728 1274 HOH A O 7767 O O . HOH FA . ? 0.5329 0.4384 0.4526 -0.0179 0.1508 0.0032 1275 HOH A O 7768 O O . HOH FA . ? 0.4724 0.4844 0.3568 -0.0362 0.1094 -0.1124 1276 HOH A O 7769 O O . HOH FA . ? 0.4727 0.6055 0.6837 0.0117 -0.0617 0.1278 1277 HOH A O 7770 O O . HOH FA . ? 0.4758 0.7251 0.3754 0.0163 0.1657 0.0945 1278 HOH A O 7771 O O . HOH FA . ? 0.4434 0.3498 0.2695 -0.0225 0.0894 -0.0433 1279 HOH A O 7772 O O . HOH FA . ? 0.5207 0.4693 0.4770 0.0061 0.0862 -0.0232 1280 HOH A O 7773 O O . HOH FA . ? 0.5258 0.3824 0.3014 0.0255 0.1090 0.0713 1281 HOH A O 7774 O O . HOH FA . ? 0.4941 0.7301 0.4026 -0.0691 0.2051 -0.0309 1282 HOH A O 7775 O O . HOH FA . ? 0.4463 0.3612 0.4515 -0.1007 0.0860 -0.0343 1283 HOH A O 7776 O O . HOH FA . ? 0.4864 0.4831 0.4964 -0.0793 0.0572 -0.0674 1284 HOH A O 7777 O O . HOH FA . ? 0.5259 0.7119 0.7775 0.0279 -0.0429 -0.0745 1285 HOH A O 7778 O O . HOH FA . ? 0.4738 0.6482 0.5255 -0.0121 0.1027 -0.1677 1286 HOH A O 7779 O O . HOH FA . ? 0.4686 0.7919 0.6630 0.1329 0.0248 -0.0090 1287 HOH A O 7780 O O . HOH FA . ? 0.4199 0.3684 0.1850 -0.0328 0.0823 -0.0165 1288 HOH A O 7781 O O . HOH FA . ? 0.4830 0.4833 0.5377 -0.0203 -0.0446 0.0823 1289 HOH A O 7782 O O . HOH FA . ? 0.5027 0.4536 0.3045 0.0244 0.0834 0.0953 1290 HOH A O 7783 O O . HOH FA . ? 0.4138 0.5032 0.6753 -0.0128 0.0061 -0.0070 1291 HOH A O 7784 O O . HOH FA . ? 0.5830 0.6985 0.6930 -0.0398 -0.0583 0.0096 1292 HOH A O 7785 O O . HOH FA . ? 0.4976 0.4879 0.3938 -0.0247 0.1006 -0.0125 1293 HOH A O 7786 O O . HOH FA . ? 0.3669 0.6122 0.5189 -0.0892 0.0672 0.0394 1294 HOH A O 7787 O O . HOH FA . ? 0.6253 0.5879 0.6677 0.0157 0.0473 -0.0087 1295 HOH A O 7788 O O . HOH FA . ? 0.6040 0.5266 0.5519 -0.1008 -0.0217 0.1079 1296 HOH A O 7789 O O . HOH FA . ? 0.4641 0.4866 0.3703 0.0612 0.0699 -0.0499 1297 HOH A O 7790 O O . HOH FA . ? 0.6600 0.5099 0.5155 0.1454 -0.0071 0.0138 1298 HOH A O 7791 O O . HOH FA . ? 0.6012 0.4757 0.6276 0.0145 0.0292 -0.0853 1299 HOH A O 7792 O O . HOH FA . ? 0.5369 0.3920 0.3319 -0.0517 -0.0069 -0.0425 1300 HOH A O 7793 O O . HOH FA . ? 0.5679 0.7451 0.6420 -0.0452 -0.0513 -0.0129 1301 HOH A O 7794 O O . HOH FA . ? 0.5079 0.8005 0.7203 -0.0151 0.0362 0.1695 1302 HOH A O 7795 O O . HOH FA . ? 0.6278 0.5508 0.3713 0.0416 0.0344 -0.0334 1303 HOH A O 7796 O O . HOH FA . ? 0.6010 0.5033 0.4778 -0.0265 0.1884 0.1178 1304 HOH A O 7797 O O . HOH FA . ? 0.6419 0.5263 0.6045 0.0614 -0.0565 0.0487 1305 HOH A O 7798 O O . HOH FA . ? 0.7230 0.8819 0.4415 -0.0083 0.1437 -0.0569 1306 HOH A O 7799 O O . HOH FA . ? 0.6880 0.5808 0.6930 0.0332 -0.0067 -0.1983 1307 HOH A O 7800 O O . HOH FA . ? 0.5708 0.4701 0.4537 0.0402 0.2012 0.0780 1308 HOH A O 7801 O O . HOH FA . ? 0.5497 0.6192 0.5903 0.0248 0.1410 0.0857 1309 HOH A O 7802 O O . HOH FA . ? 0.6345 0.6659 0.3983 0.0205 0.1610 -0.0520 1310 HOH A O 7803 O O . HOH FA . ? 0.5733 0.5826 0.5238 -0.0117 0.1347 -0.1512 1311 HOH A O 7804 O O . HOH FA . ? 0.3741 0.5489 0.5190 0.0129 0.0476 -0.0600 1312 HOH A O 7805 O O . HOH FA . ? 0.5141 0.8527 0.7441 0.0000 0.1221 -0.0444 1313 HOH A O 7806 O O . HOH FA . ? 0.5191 0.5220 0.3291 0.0472 0.0891 0.0179 1314 HOH A O 7807 O O . HOH FA . ? 0.5218 0.3870 0.5406 0.0502 -0.0718 -0.1340 1315 HOH A O 7808 O O . HOH FA . ? 0.4691 0.5164 0.4355 -0.0985 -0.0354 -0.0593 1316 HOH A O 7809 O O . HOH FA . ? 0.5940 0.7101 0.8401 0.0906 -0.1399 -0.0703 1317 HOH A O 7810 O O . HOH FA . ? 0.6455 0.6219 0.7608 0.1389 0.0148 -0.0464 1318 HOH A O 7811 O O . HOH FA . ? 0.6326 0.8821 0.5226 -0.0229 -0.0006 -0.0537 1319 HOH A O 7812 O O . HOH FA . ? 0.5487 0.5239 0.5283 -0.0593 -0.0878 -0.0067 1320 HOH A O 7813 O O . HOH FA . ? 0.4973 0.5976 0.5343 0.0744 -0.0289 0.1217 1321 HOH A O 7814 O O . HOH FA . ? 0.6623 0.5731 0.3657 -0.0011 0.0644 -0.0454 1322 HOH A O 7815 O O . HOH FA . ? 0.4344 0.3981 0.4272 -0.0938 0.1102 -0.0689 1323 HOH A O 7816 O O . HOH FA . ? 0.7138 0.5692 0.9102 -0.0324 0.0049 0.0434 1324 HOH A O 7817 O O . HOH FA . ? 0.7594 0.6271 0.3602 0.1137 0.1048 0.1363 1325 HOH A O 7818 O O . HOH FA . ? 0.6010 0.4784 0.3687 0.0594 0.1285 0.0389 1326 HOH A O 7819 O O . HOH FA . ? 0.4368 0.6411 0.4690 -0.0477 0.1493 -0.0146 1327 HOH A O 7820 O O . HOH FA . ? 0.6352 0.6404 0.5734 0.0951 0.1558 0.0205 1328 HOH A O 7821 O O . HOH FA . ? 0.4820 0.4912 0.4956 -0.0280 0.1457 -0.0813 1329 HOH A O 7822 O O . HOH FA . ? 0.5485 0.4707 0.3908 -0.0149 0.1008 -0.0812 1330 HOH A O 7823 O O . HOH FA . ? 0.3904 0.5831 0.7762 -0.0074 0.0095 0.1314 1331 HOH A O 7824 O O . HOH FA . ? 0.5075 0.5766 0.8041 0.0424 -0.0596 -0.0305 1332 HOH A O 7825 O O . HOH FA . ? 0.5326 0.5289 0.6529 0.1579 -0.0373 -0.0375 1333 HOH A O 7826 O O . HOH FA . ? 0.4893 0.7992 0.6905 -0.0693 0.0076 0.0649 1334 HOH A O 7827 O O . HOH FA . ? 0.6000 0.5716 0.5078 -0.0369 0.0174 -0.0217 1335 HOH A O 7828 O O . HOH FA . ? 0.5696 0.4478 0.3673 0.0863 0.0775 -0.1045 1336 HOH A O 7829 O O . HOH FA . ? 0.6234 0.5695 0.6514 0.0156 0.0533 0.0591 1337 HOH A O 7830 O O . HOH FA . ? 0.6799 0.4260 0.4161 -0.0041 0.1623 -0.1038 1338 HOH A O 7831 O O . HOH FA . ? 0.4201 0.6555 0.6996 -0.0243 -0.1520 0.0481 1339 HOH A O 7832 O O . HOH FA . ? 0.5968 0.7521 0.6197 0.0101 0.0622 -0.1233 1340 HOH A O 7833 O O . HOH FA . ? 0.6760 0.5404 0.5284 0.0562 -0.0558 0.1376 1341 HOH A O 7834 O O . HOH FA . ? 0.7768 0.5385 0.4278 0.0126 -0.0491 0.0321 1342 HOH A O 7835 O O . HOH FA . ? 0.6598 0.5328 0.4371 0.0410 0.0247 -0.0504 1343 HOH A O 7836 O O . HOH FA . ? 0.8178 0.9308 0.5479 0.1960 0.0963 -0.2152 1344 HOH A O 7837 O O . HOH FA . ? 0.5849 0.7193 0.8067 -0.0778 -0.0881 0.0067 1345 HOH A O 7838 O O . HOH FA . ? 0.6587 0.4814 0.5998 -0.0637 0.1457 -0.0795 1346 HOH A O 7839 O O . HOH FA . ? 0.7817 0.7622 0.7041 0.0933 0.0793 0.0912 1347 HOH A O 7840 O O . HOH FA . ? 0.6160 0.6105 0.8524 0.1197 -0.0240 -0.0430 1348 HOH A O 7841 O O . HOH FA . ? 0.5624 0.4074 0.6122 -0.1027 0.1004 -0.0429 1349 HOH A O 7842 O O . HOH FA . ? 0.5502 0.6284 0.6529 -0.0017 -0.0908 -0.0146 1350 HOH A O 7843 O O . HOH FA . ? 0.6235 0.6974 0.4203 -0.0165 0.1312 -0.0073 1351 HOH A O 7844 O O . HOH FA . ? 0.4497 0.5112 0.3449 -0.0993 -0.0349 -0.0778 1352 HOH A O 7845 O O . HOH FA . ? 0.5429 0.7592 0.6450 0.0584 0.1003 0.0860 1353 HOH A O 7846 O O . HOH FA . ? 0.6061 0.5255 0.3804 -0.0985 0.1376 0.0679 1354 HOH A O 7847 O O . HOH FA . ? 0.5676 0.7162 0.3428 0.0255 0.1667 -0.1826 1355 HOH A O 7848 O O . HOH FA . ? 0.6264 0.7049 0.5315 -0.0240 0.1469 -0.1149 1356 HOH A O 7849 O O . HOH FA . ? 0.5864 0.6904 0.5659 -0.0627 0.1162 -0.0178 1357 HOH A O 7850 O O . HOH FA . ? 0.6892 0.7493 0.7203 0.1255 0.0549 0.0982 1358 HOH A O 7851 O O . HOH FA . ? 0.7620 0.5599 0.7774 -0.1350 -0.0659 -0.1343 1359 HOH A O 7852 O O . HOH FA . ? 0.5167 0.5187 0.4651 -0.0719 0.0552 -0.0417 1360 HOH A O 7853 O O . HOH FA . ? 0.6118 0.5435 0.6016 0.0268 0.0653 0.1114 1361 HOH A O 7854 O O . HOH FA . ? 0.5189 0.5750 0.4704 0.1233 0.1218 0.1322 1362 HOH A O 7855 O O . HOH FA . ? 0.5874 0.5292 0.5778 -0.0337 0.1347 0.1106 1363 HOH A O 7856 O O . HOH FA . ? 0.8034 0.6768 0.7019 -0.0464 0.0627 0.2343 1364 HOH A O 7857 O O . HOH FA . ? 0.7206 0.4498 0.5634 0.0783 0.0461 -0.1394 1365 HOH A O 7858 O O . HOH FA . ? 0.7423 0.7790 0.7253 -0.0219 -0.0299 0.0548 1366 HOH A O 7859 O O . HOH FA . ? 0.4341 0.7208 0.8315 -0.1119 -0.0085 0.0000 1367 HOH A O 7860 O O . HOH FA . ? 0.4770 0.3723 0.2768 -0.0683 0.0658 -0.0442 1368 HOH A O 7861 O O . HOH FA . ? 0.5638 0.4538 0.5698 0.0335 0.0474 -0.1044 1369 HOH A O 7862 O O . HOH FA . ? 0.5920 0.5341 0.4265 0.0661 0.1962 0.0988 1370 HOH A O 7863 O O . HOH FA . ? 0.5379 0.6928 0.7447 -0.0561 -0.1212 -0.0386 1371 HOH A O 7864 O O . HOH FA . ? 0.4546 0.2933 0.4176 -0.0884 0.0786 -0.0663 1372 HOH A O 7865 O O . HOH FA . ? 0.8601 0.7625 0.6589 -0.2573 0.1662 0.0911 1373 HOH A O 7866 O O . HOH FA . ? 0.7438 0.5544 0.4418 0.0344 0.1137 0.0555 1374 HOH A O 7867 O O . HOH FA . ? 0.4657 0.4533 0.3689 0.0203 0.0802 0.0917 1375 HOH A O 7868 O O . HOH FA . ? 0.5043 0.4090 0.3122 0.0926 0.0541 -0.0202 1376 HOH A O 7869 O O . HOH FA . ? 0.4624 0.5778 0.6640 -0.0937 -0.0430 -0.0631 1377 HOH A O 7870 O O . HOH FA . ? 0.5013 0.5808 0.4791 -0.1429 0.0087 -0.0097 1378 HOH A O 7871 O O . HOH FA . ? 0.5098 0.5880 0.5751 -0.0010 -0.0414 -0.0342 1379 HOH A O 7872 O O . HOH FA . ? 0.4793 0.5248 0.4485 0.0787 0.1152 0.0342 1380 HOH A O 7873 O O . HOH FA . ? 0.6781 0.5074 0.6366 0.0727 0.1157 0.0002 1381 HOH A O 7874 O O . HOH FA . ? 0.5376 0.5187 0.3439 -0.0194 0.0139 -0.0428 1382 HOH A O 7875 O O . HOH FA . ? 0.6092 0.5489 0.6148 -0.0407 0.1382 0.0081 1383 HOH A O 7876 O O . HOH FA . ? 0.5841 0.5060 0.5505 0.0180 0.0479 -0.0403 1384 HOH A O 7877 O O . HOH FA . ? 0.5382 0.6389 0.7250 0.0574 -0.1010 0.0547 1385 HOH A O 7878 O O . HOH FA . ? 0.5302 0.6131 0.7004 -0.0334 -0.0143 0.1452 1386 HOH A O 7879 O O . HOH FA . ? 0.8561 0.5569 0.5600 0.0908 0.0007 -0.3002 1387 HOH A O 7880 O O . HOH FA . ? 0.5011 0.7391 0.6226 -0.0687 0.1139 -0.0392 1388 HOH A O 7881 O O . HOH FA . ? 0.5101 0.6332 0.6958 0.0065 0.0610 -0.0556 1389 HOH A O 7882 O O . HOH FA . ? 0.6420 0.7518 0.3614 -0.0157 0.0894 -0.0809 1390 HOH A O 7883 O O . HOH FA . ? 0.4994 0.6732 0.5484 0.0100 0.0084 -0.0727 1391 HOH A O 7884 O O . HOH FA . ? 0.8327 0.8727 0.7613 0.0124 -0.0486 0.0220 1392 HOH A O 7885 O O . HOH FA . ? 0.8101 0.5950 0.4946 -0.0286 0.0290 0.0570 1393 HOH A O 7886 O O . HOH FA . ? 0.6249 0.5592 0.5521 0.1340 -0.0236 -0.0333 1394 HOH A O 7887 O O . HOH FA . ? 0.5529 0.5175 0.5888 -0.0210 0.1392 0.0334 1395 HOH A O 7888 O O . HOH FA . ? 0.6212 0.5531 0.7170 -0.0256 -0.0041 -0.2265 1396 HOH A O 7889 O O . HOH FA . ? 0.6889 0.7900 0.5653 -0.0967 -0.0103 0.0199 1397 HOH A O 7890 O O . HOH FA . ? 0.5238 0.5527 0.6690 0.0309 -0.0475 0.0618 1398 HOH A O 7891 O O . HOH FA . ? 0.5412 0.5684 0.8161 -0.1285 0.0027 0.1140 1399 HOH A O 7892 O O . HOH FA . ? 0.7523 0.5600 0.5510 0.0628 0.0571 0.0229 1400 HOH A O 7893 O O . HOH FA . ? 0.7845 0.4467 0.7423 -0.0631 0.0345 0.2091 1401 HOH A O 7894 O O . HOH FA . ? 0.5147 0.6627 0.8090 -0.2091 0.0347 -0.1297 1402 HOH A O 7895 O O . HOH FA . ? 0.6145 0.6089 0.6476 -0.0547 0.0614 0.1813 1403 HOH A O 7896 O O . HOH FA . ? 0.6426 0.5370 0.5719 0.0591 0.1004 -0.0308 1404 HOH A O 7897 O O . HOH FA . ? 0.6324 0.7458 0.5213 -0.0397 0.1762 0.0116 1405 HOH A O 7898 O O . HOH FA . ? 0.7349 0.6941 0.4901 0.0865 0.0026 0.0940 1406 HOH A O 7899 O O . HOH FA . ? 0.4978 0.5959 0.7593 -0.0536 -0.0993 0.0229 1407 HOH A O 7900 O O . HOH FA . ? 0.6354 0.8604 0.6318 0.0540 -0.0846 -0.1394 1408 HOH A O 7901 O O . HOH FA . ? 0.5609 0.6895 0.5340 0.0030 0.0037 0.0101 1409 HOH A O 7902 O O . HOH FA . ? 0.5620 0.5320 0.4505 0.0236 0.0798 0.0046 1410 HOH A O 7903 O O . HOH FA . ? 0.7547 0.4870 0.5998 0.1037 0.0963 -0.0581 1411 HOH A O 7904 O O . HOH FA . ? 0.6587 0.6255 0.6705 0.0803 0.2203 0.0052 1412 HOH A O 7905 O O . HOH FA . ? 0.7529 0.5613 0.8800 -0.2051 0.0641 -0.0624 1413 HOH A O 7906 O O . HOH FA . ? 0.6740 0.6036 0.5913 -0.0117 0.1292 0.1371 1414 HOH A O 7907 O O . HOH FA . ? 0.6882 0.5463 0.4819 0.0863 0.0714 0.0060 1415 HOH A O 7908 O O . HOH FA . ? 0.6943 0.6471 0.4543 -0.0050 0.0616 0.0365 1416 HOH A O 7909 O O . HOH FA . ? 0.5834 0.6603 0.6004 0.0049 0.0612 -0.1795 1417 HOH A O 7910 O O . HOH FA . ? 0.5717 0.6298 0.4904 -0.1115 0.0358 -0.0722 1418 HOH A O 7911 O O . HOH FA . ? 0.5671 0.5806 0.4905 0.0035 0.0281 0.0257 1419 HOH A O 7912 O O . HOH FA . ? 0.4739 0.5083 0.5116 -0.1094 0.0512 -0.0828 1420 HOH A O 7913 O O . HOH FA . ? 0.4010 0.3571 0.3473 -0.0258 -0.0339 -0.0625 1421 HOH A O 7914 O O . HOH FA . ? 0.5444 0.7152 0.3000 0.1489 0.1140 -0.0813 1422 HOH A O 7915 O O . HOH FA . ? 0.8647 0.5279 0.4345 0.0134 0.0248 0.0551 1423 HOH A O 7916 O O . HOH FA . ? 0.7663 0.4779 0.6146 -0.0748 0.1162 -0.2052 1424 HOH A O 7917 O O . HOH FA . ? 0.6849 0.6406 0.6868 -0.0322 -0.0432 -0.0053 1425 HOH A O 7918 O O . HOH FA . ? 0.6817 0.6513 0.6025 -0.0399 0.0155 0.0276 1426 HOH A O 7919 O O . HOH FA . ? 0.8555 0.6552 0.6624 0.0618 -0.0300 -0.1019 1427 HOH A O 7920 O O . HOH FA . ? 0.4393 0.8598 0.6023 -0.1661 -0.1228 0.2189 1428 HOH A O 7921 O O . HOH FA . ? 0.6746 0.6711 0.4795 0.0793 -0.0642 -0.0163 1429 HOH A O 7922 O O . HOH FA . ? 0.6768 0.7435 0.9173 0.2833 0.0382 0.0806 1430 HOH A O 7923 O O . HOH FA . ? 0.6324 0.5829 0.4384 0.0508 0.1894 0.0246 1431 HOH A O 7924 O O . HOH FA . ? 0.5072 0.3015 0.5466 -0.1002 0.0299 0.0461 1432 HOH A O 7925 O O . HOH FA . ? 0.6340 0.7393 0.7263 -0.1248 -0.0597 0.1544 1433 HOH A O 7926 O O . HOH FA . ? 0.6890 0.7796 0.5345 0.0312 0.0626 0.1986 1434 HOH A O 7927 O O . HOH FA . ? 0.5396 0.6783 0.7445 0.0017 -0.0343 0.0431 1435 HOH A O 7928 O O . HOH FA . ? 0.8219 0.4378 0.5799 -0.0836 0.1356 -0.0268 1436 HOH A O 7929 O O . HOH FA . ? 0.6098 0.7457 0.3124 -0.0362 -0.0715 -0.0519 1437 HOH A O 7930 O O . HOH FA . ? 0.8661 0.7311 0.5004 0.0341 0.0535 0.0604 1438 HOH A O 7931 O O . HOH FA . ? 0.5445 0.7957 0.3922 0.1275 0.0609 0.1507 1439 HOH A O 7932 O O . HOH FA . ? 0.5509 0.6376 0.7383 -0.1229 -0.0540 0.0769 1440 HOH A O 7933 O O . HOH FA . ? 0.7600 0.8850 0.7383 0.0927 -0.1460 0.1566 1441 HOH A O 7934 O O . HOH FA . ? 0.6922 0.7343 0.7119 0.0308 -0.0387 -0.0851 1442 HOH A O 7935 O O . HOH FA . ? 0.5462 0.6909 0.7763 0.0703 0.0770 0.0512 1443 HOH A O 7936 O O . HOH FA . ? 0.7081 0.6687 0.5154 -0.0313 0.1773 0.0199 1444 HOH A O 7937 O O . HOH FA . ? 0.4000 0.4973 0.4285 -0.1082 0.0182 -0.0339 1445 HOH A O 7938 O O . HOH FA . ? 0.6901 0.7566 0.7757 -0.1340 0.0592 0.1130 1446 HOH A O 7939 O O . HOH FA . ? 0.6499 0.6523 0.7050 -0.1199 -0.0126 -0.0437 1447 HOH A O 7940 O O . HOH FA . ? 0.6681 0.6365 0.7485 0.0625 0.0144 0.0020 1448 HOH A O 7941 O O . HOH FA . ? 0.5006 0.5945 0.4992 0.0757 -0.0604 -0.0056 1449 HOH A O 7942 O O . HOH FA . ? 0.6104 0.7445 0.7460 -0.0418 0.0781 -0.1212 1450 HOH A O 7943 O O . HOH FA . ? 0.7894 0.8706 0.8486 -0.1552 -0.0836 0.0984 1451 HOH A O 7944 O O . HOH FA . ? 0.8958 0.7880 0.6327 0.1057 0.0199 -0.1265 1452 HOH A O 7945 O O . HOH FA . ? 0.7709 0.6726 0.7066 0.0069 -0.0790 -0.0566 1453 HOH A O 7946 O O . HOH FA . ? 0.8155 0.6003 0.6521 0.0048 0.0426 -0.0519 1454 HOH A O 7947 O O . HOH FA . ? 0.6056 0.6391 0.6924 -0.0289 -0.0483 0.1072 1455 HOH A O 7948 O O . HOH FA . ? 0.6765 0.4535 0.5160 -0.0535 -0.1273 -0.1250 1456 HOH A O 7949 O O . HOH FA . ? 0.4869 0.5665 0.6437 -0.0087 0.0372 -0.0638 1457 HOH A O 7950 O O . HOH FA . ? 0.7217 0.5729 0.6537 0.0252 0.0881 0.0521 1458 HOH A O 7951 O O . HOH FA . ? 0.5918 0.5588 0.6895 -0.0999 -0.0112 -0.2074 1459 HOH A O 7952 O O . HOH FA . ? 0.7060 0.6156 0.8288 -0.0187 -0.0978 -0.1192 1460 HOH A O 7953 O O . HOH FA . ? 0.5609 0.4912 0.4632 0.0664 0.0970 -0.1457 1461 HOH A O 7954 O O . HOH FA . ? 1.1043 0.6982 0.7303 0.0904 0.0412 0.0180 1462 HOH A O 7955 O O . HOH FA . ? 0.8082 0.6259 0.6924 -0.1286 0.0958 -0.0273 1463 HOH A O 7956 O O . HOH FA . ? 0.5663 0.7859 0.5701 0.0250 -0.0118 -0.0206 1464 HOH A O 7957 O O . HOH FA . ? 0.7131 0.6612 0.6308 0.1626 0.1326 -0.1328 1465 HOH A O 7958 O O . HOH FA . ? 0.4669 0.8073 0.4731 0.0404 0.1543 0.0591 1466 HOH A O 7959 O O . HOH FA . ? 0.7435 0.8016 0.6717 -0.1008 0.1326 -0.1088 1467 HOH A O 7960 O O . HOH FA . ? 0.6944 0.7900 0.5778 -0.1468 0.1130 -0.0047 1468 HOH A O 7961 O O . HOH FA . ? 0.6982 0.5666 0.7690 -0.1369 -0.0016 0.0664 1469 HOH A O 7962 O O . HOH FA . ? 0.6970 0.7884 0.7377 -0.1629 0.0895 0.1617 1470 HOH A O 7963 O O . HOH FA . ? 0.7772 0.8740 0.6541 -0.0490 0.0465 0.0330 1471 HOH A O 7964 O O . HOH FA . ? 0.6069 0.6285 0.5369 -0.0607 0.0312 0.0880 1472 HOH A O 7965 O O . HOH FA . ? 0.5916 0.6772 0.8626 0.2082 -0.0145 -0.0709 1473 HOH A O 7966 O O . HOH FA . ? 0.5902 0.9185 0.6485 -0.0700 0.2546 0.0117 1474 HOH A O 7967 O O . HOH FA . ? 0.6311 0.5497 0.4274 -0.0298 0.1077 -0.0996 1475 HOH A O 7968 O O . HOH FA . ? 0.6648 0.7150 0.4973 0.0784 -0.0083 0.2213 1476 HOH A O 7969 O O . HOH FA . ? 0.6931 0.6944 0.5663 -0.0313 0.0704 -0.0253 1477 HOH A O 7970 O O . HOH FA . ? 0.6691 0.7175 0.8928 0.0856 -0.0978 0.0658 1478 HOH A O 7971 O O . HOH FA . ? 0.4998 0.7389 0.3951 -0.0443 0.0216 -0.0907 1479 HOH A O 7972 O O . HOH FA . ? 0.5190 0.6465 0.5100 -0.0546 0.0342 0.1842 1480 HOH A O 7973 O O . HOH FA . ? 0.6958 0.8086 0.7213 0.1313 -0.1541 0.1856 1481 HOH A O 7974 O O . HOH FA . ? 0.6014 0.4694 0.6956 -0.0009 -0.0086 -0.1878 1482 HOH A O 7975 O O . HOH FA . ? 0.5785 0.5934 0.6765 0.0489 -0.0558 0.0001 1483 HOH A O 7976 O O . HOH FA . ? 0.8094 0.7079 0.7537 -0.1000 0.2212 -0.0397 1484 HOH A O 7977 O O . HOH FA . ? 0.4118 0.7010 0.8853 0.0402 -0.0889 -0.0147 1485 HOH A O 7978 O O . HOH FA . ? 0.6911 0.9577 0.8584 -0.1226 -0.1169 -0.0024 1486 HOH A O 7979 O O . HOH FA . ? 0.8450 0.9303 0.6762 0.0462 0.0495 0.0583 1487 HOH A O 7980 O O . HOH FA . ? 0.7540 0.7329 0.7718 0.1498 0.1307 0.2319 1488 HOH A O 7981 O O . HOH FA . ? 0.5433 0.6842 0.8070 0.0346 0.0221 0.0807 1489 HOH A O 7982 O O . HOH FA . ? 0.8369 0.6450 0.4925 0.0829 0.1038 -0.0510 1490 HOH A O 7983 O O . HOH FA . ? 0.4809 0.7026 0.7472 -0.0767 0.0670 0.1142 1491 HOH A O 7984 O O . HOH FA . ? 0.7560 0.7818 0.7305 -0.0228 0.0715 0.0889 1492 HOH A O 7985 O O . HOH FA . ? 0.5177 0.8829 0.7870 -0.1093 0.0642 0.1000 1493 HOH A O 7986 O O . HOH FA . ? 0.7948 0.7224 0.8426 -0.0170 -0.0193 0.0158 1494 HOH A O 7987 O O . HOH FA . ? 0.5948 0.7002 0.9146 0.0819 0.0004 -0.1154 1495 HOH A O 7988 O O . HOH FA . ? 0.5312 0.5726 0.4495 -0.0036 0.0983 -0.1786 1496 HOH A O 7989 O O . HOH FA . ? 0.6763 0.8614 0.7355 0.0808 -0.1025 0.0560 1497 HOH A O 7990 O O . HOH FA . ? 0.6266 0.7651 0.6497 0.2234 0.1282 -0.0330 1498 HOH A O 7991 O O . HOH FA . ? 0.8541 0.6798 0.7341 0.0633 0.0038 0.0237 1499 HOH A O 7992 O O . HOH FA . ? 0.9069 0.6883 0.7039 -0.0297 -0.0698 -0.0838 1500 HOH A O 7993 O O . HOH FA . ? 0.8727 0.9092 0.6164 0.0383 0.1443 0.0189 1501 HOH A O 7994 O O . HOH FA . ? 0.8816 0.5683 0.4591 -0.0302 0.0031 -0.0950 1502 HOH A O 7995 O O . HOH FA . ? 0.6384 0.9103 0.5212 0.0145 0.0095 -0.0254 1503 HOH A O 7996 O O . HOH FA . ? 0.6185 0.7354 0.7149 -0.0439 -0.0115 0.0766 1504 HOH A O 7997 O O . HOH FA . ? 0.5123 0.9091 0.7585 0.0816 0.0425 -0.0284 1505 HOH A O 7998 O O . HOH FA . ? 0.7306 0.8725 0.7003 0.0526 0.0280 -0.1307 1506 HOH A O 7999 O O . HOH FA . ? 0.7005 0.7052 0.7156 0.1322 -0.0843 0.0123 1507 HOH A O 8000 O O . HOH FA . ? 0.5390 0.5601 0.5599 -0.0457 0.1304 -0.0344 1508 HOH A O 8001 O O . HOH FA . ? 0.6597 0.6220 0.8661 -0.1306 -0.0667 -0.0860 1509 HOH A O 8002 O O . HOH FA . ? 0.7256 0.8161 0.6474 0.0038 0.0666 -0.0544 1510 HOH A O 8003 O O . HOH FA . ? 0.4403 0.5806 0.6789 -0.1123 0.0578 -0.0994 1511 HOH A O 8004 O O . HOH FA . ? 0.6484 0.7353 0.5529 0.0774 0.2176 0.1223 1512 HOH A O 8005 O O . HOH FA . ? 0.7455 0.6438 0.6791 0.0783 -0.1186 0.0172 1513 HOH A O 8006 O O . HOH FA . ? 0.7652 0.6944 0.6373 -0.0576 -0.0898 -0.1324 1514 HOH A O 8007 O O . HOH FA . ? 0.6978 0.9687 0.6933 -0.0232 -0.1395 0.0582 1515 HOH A O 8008 O O . HOH FA . ? 0.7371 0.6369 0.6517 -0.1969 0.0471 0.0954 1516 HOH A O 8009 O O . HOH FA . ? 0.8362 0.7055 0.5937 0.0200 0.1494 0.1896 1517 HOH A O 8010 O O . HOH FA . ? 0.8921 0.4558 0.8879 -0.0499 0.0551 0.0710 1518 HOH A O 8011 O O . HOH FA . ? 0.5810 0.4896 0.5800 0.0150 -0.0440 0.0017 1519 HOH A O 8012 O O . HOH FA . ? 0.6401 0.6322 0.7560 -0.1109 0.0199 0.0357 1520 HOH A O 8013 O O . HOH FA . ? 0.7660 0.6002 0.4980 0.1059 -0.0170 -0.0057 1521 HOH A O 8014 O O . HOH FA . ? 0.5752 0.5592 0.5451 -0.1854 -0.0565 0.0962 1522 HOH A O 8015 O O . HOH FA . ? 0.5333 0.7503 0.5840 -0.2317 0.0512 0.0274 1523 HOH A O 8016 O O . HOH FA . ? 0.8505 0.6273 0.6857 -0.1381 -0.1571 -0.0335 1524 HOH A O 8017 O O . HOH FA . ? 0.7887 0.5468 0.8998 -0.0700 0.0522 0.1162 1525 HOH A O 8018 O O . HOH FA . ? 0.5888 0.5003 0.4828 0.0467 -0.0249 -0.0767 1526 HOH A O 8019 O O . HOH FA . ? 0.7423 0.7566 0.5353 -0.0546 -0.0278 0.2106 1527 HOH A O 8020 O O . HOH FA . ? 0.6671 0.7715 0.8696 0.1339 0.1389 -0.0750 1528 HOH A O 8021 O O . HOH FA . ? 0.6855 0.6860 0.3637 0.0238 0.0622 0.0608 1529 HOH A O 8022 O O . HOH FA . ? 0.7795 0.7097 0.5731 0.0316 -0.0018 -0.0029 1530 HOH A O 8023 O O . HOH FA . ? 0.7716 0.4993 0.6558 0.0667 0.2281 -0.0973 1531 HOH A O 8024 O O . HOH FA . ? 0.3838 0.6402 0.8066 -0.1132 0.0334 0.0514 1532 HOH A O 8025 O O . HOH FA . ? 0.8154 0.6304 0.6918 0.0213 0.1124 0.0216 1533 HOH A O 8026 O O . HOH FA . ? 0.7877 0.6851 0.8331 -0.0047 0.0065 -0.0530 1534 HOH A O 8027 O O . HOH FA . ? 0.8323 0.6489 0.4724 0.0283 0.0882 0.0215 1535 HOH A O 8028 O O . HOH FA . ? 0.7091 0.5767 0.4226 -0.0582 0.1623 -0.0403 1536 HOH A O 8029 O O . HOH FA . ? 0.6382 0.6972 0.8976 0.0039 0.1462 0.1142 1537 HOH A O 8030 O O . HOH FA . ? 0.6889 0.7655 0.6285 -0.0090 0.1194 0.0951 1538 HOH A O 8031 O O . HOH FA . ? 0.6776 0.6065 0.7923 0.0847 0.0524 0.0563 1539 HOH A O 8032 O O . HOH FA . ? 0.8696 0.5871 0.8285 0.1030 -0.0083 0.0727 1540 HOH A O 8033 O O . HOH FA . ? 0.8660 0.7810 0.6654 -0.2297 0.1025 0.1267 1541 HOH A O 8034 O O . HOH FA . ? 0.6955 0.8064 0.8032 0.1688 -0.0802 0.0804 1542 HOH A O 8035 O O . HOH FA . ? 0.6471 0.6862 0.7207 0.1019 0.1238 -0.0794 1543 HOH A O 8036 O O . HOH FA . ? 0.6697 0.4754 0.6037 -0.1302 -0.1097 -0.0167 1544 HOH A O 8037 O O . HOH FA . ? 0.6441 0.8799 0.7129 -0.0398 0.1478 0.0191 1545 HOH A O 8038 O O . HOH FA . ? 0.6635 1.0381 0.4836 -0.2002 0.0376 -0.0059 1546 HOH A O 8039 O O . HOH FA . ? 0.5431 0.6907 0.6233 -0.2141 0.0914 -0.0476 1547 HOH A O 8040 O O . HOH FA . ? 0.5790 0.5370 0.5861 -0.0386 -0.0586 0.0096 1548 HOH A O 8041 O O . HOH FA . ? 0.6746 0.7963 0.7058 -0.0292 0.0091 -0.0423 1549 HOH A O 8042 O O . HOH FA . ? 0.6373 0.7879 0.6962 -0.0373 -0.0780 -0.0558 1550 HOH A O 8043 O O . HOH FA . ? 0.6666 0.6016 0.6260 0.1242 0.0378 -0.0589 1551 HOH A O 8044 O O . HOH FA . ? 0.7917 0.7190 0.8558 -0.2101 0.0634 -0.0068 1552 HOH A O 8045 O O . HOH FA . ? 0.5888 0.5300 0.5986 0.0102 -0.0461 0.0438 1553 HOH A O 8046 O O . HOH FA . ? 0.7851 0.6317 0.4367 0.1251 0.0504 0.1511 1554 HOH A O 8047 O O . HOH FA . ? 0.8903 0.6199 0.5578 -0.0474 0.0974 -0.1256 1555 HOH A O 8048 O O . HOH FA . ? 0.8429 0.7276 0.6558 -0.0342 0.0346 0.0729 1556 HOH A O 8049 O O . HOH FA . ? 0.5929 0.8333 0.3951 0.0004 0.0952 -0.1656 1557 HOH A O 8050 O O . HOH FA . ? 0.6756 0.6793 0.5158 0.0100 -0.0587 -0.0747 1558 HOH A O 8051 O O . HOH FA . ? 0.9462 0.5039 0.5106 0.0259 0.0079 -0.1078 1559 HOH A O 8052 O O . HOH FA . ? 0.5852 0.5657 0.6932 -0.0537 -0.0335 -0.1577 1560 HOH A O 8053 O O . HOH FA . ? 0.7992 0.8827 0.6016 0.0792 0.0362 0.1246 1561 HOH A O 8054 O O . HOH FA . ? 0.6615 0.8127 0.6475 0.0488 0.0931 -0.0663 1562 HOH A O 8055 O O . HOH FA . ? 0.6288 0.6456 0.3990 0.1333 0.0344 0.0822 1563 HOH A O 8056 O O . HOH FA . ? 0.8519 0.7587 0.6002 -0.0202 -0.0406 0.0502 1564 HOH A O 8057 O O . HOH FA . ? 0.6065 0.5792 0.7714 -0.1192 0.0517 -0.0170 1565 HOH A O 8058 O O . HOH FA . ? 0.9645 0.9081 0.6325 -0.2280 -0.0196 -0.1291 1566 HOH A O 8059 O O . HOH FA . ? 0.6765 0.6329 0.7036 -0.0857 0.0232 -0.1074 1567 HOH A O 8060 O O . HOH FA . ? 0.6109 0.5875 0.6153 0.0366 0.0413 -0.1688 1568 HOH A O 8061 O O . HOH FA . ? 0.6681 0.6204 0.5655 -0.0678 -0.0750 -0.0680 1569 HOH A O 8062 O O . HOH FA . ? 0.7069 0.5601 0.7479 -0.0261 0.0034 0.1372 1570 HOH A O 8063 O O . HOH FA . ? 0.7666 0.8487 0.9079 0.1948 0.1661 -0.1196 1571 HOH A O 8064 O O . HOH FA . ? 0.6535 0.6495 0.7905 0.0509 -0.0835 -0.0239 1572 HOH A O 8065 O O . HOH FA . ? 0.7862 0.5182 0.7420 -0.1783 0.0527 -0.0662 1573 HOH A O 8066 O O . HOH FA . ? 0.7280 0.8009 0.6108 -0.0989 0.0612 0.1043 1574 HOH A O 8067 O O . HOH FA . ? 0.5456 0.9390 0.7244 -0.0982 0.0473 -0.1429 1575 HOH A O 8068 O O . HOH FA . ? 0.7364 0.7104 0.5643 0.0207 0.1232 0.0467 1576 HOH A O 8069 O O . HOH FA . ? 0.6784 0.9351 0.6778 0.0379 0.2258 -0.0032 1577 HOH A O 8070 O O . HOH FA . ? 0.6718 0.7806 0.8244 0.0642 -0.0214 -0.0395 1578 HOH A O 8071 O O . HOH FA . ? 0.6584 0.6836 0.4571 -0.0170 -0.0977 -0.1484 1579 HOH A O 8072 O O . HOH FA . ? 0.9437 0.7829 0.7334 0.0580 -0.1201 0.0179 1580 HOH A O 8073 O O . HOH FA . ? 0.5943 0.6953 0.6753 -0.2053 0.0151 -0.1432 1581 HOH A O 8074 O O . HOH FA . ? 0.8530 0.6932 0.6036 0.1447 0.1437 -0.2018 1582 HOH A O 8075 O O . HOH FA . ? 0.7303 0.6487 0.5838 0.0499 0.2027 -0.0670 1583 HOH A O 8076 O O . HOH FA . ? 0.9779 0.7789 0.7772 0.0138 0.0563 0.0219 1584 HOH A O 8077 O O . HOH FA . ? 0.7934 0.5508 0.5839 0.0921 0.0961 0.0928 1585 HOH A O 8078 O O . HOH FA . ? 0.7339 0.4995 0.9773 -0.1450 0.0713 -0.0250 1586 HOH A O 8079 O O . HOH FA . ? 0.6623 0.7536 0.7498 0.0361 -0.0432 0.0333 1587 HOH A O 8080 O O . HOH FA . ? 0.7230 0.6264 0.5696 -0.0001 -0.0226 -0.0507 1588 HOH A O 8081 O O . HOH FA . ? 0.5053 0.5666 0.5008 -0.0041 0.0656 -0.0091 1589 HOH A O 8082 O O . HOH FA . ? 0.8597 0.6040 0.7729 -0.1509 -0.0024 0.1663 1590 HOH A O 8083 O O . HOH FA . ? 0.6476 0.6763 0.7696 0.1403 0.1159 0.0626 1591 HOH A O 8084 O O . HOH FA . ? 0.7170 0.4933 0.7503 0.0906 0.1034 0.1310 1592 HOH A O 8085 O O . HOH FA . ? 0.5422 0.5298 0.6575 0.0671 -0.0792 -0.0307 1593 HOH A O 8086 O O . HOH FA . ? 0.7054 0.6936 0.5942 0.1574 -0.0012 0.1104 1594 HOH A O 8087 O O . HOH FA . ? 0.6550 0.7968 0.5448 0.0958 0.1597 0.0177 1595 HOH A O 8088 O O . HOH FA . ? 0.7153 0.6916 0.4255 -0.0640 0.1463 -0.0820 1596 HOH A O 8089 O O . HOH FA . ? 0.6262 0.9276 0.7520 -0.0374 0.0158 0.1513 1597 HOH A O 8090 O O . HOH FA . ? 0.9400 0.7425 0.5899 -0.0713 0.0237 0.2558 1598 HOH A O 8091 O O . HOH FA . ? 0.4303 0.6829 0.6190 0.0541 -0.0986 -0.0542 1599 HOH A O 8092 O O . HOH FA . ? 0.7531 0.5725 0.6286 0.0930 0.0118 0.0043 1600 HOH A O 8093 O O . HOH FA . ? 0.7030 0.7200 0.7935 0.1471 -0.0824 -0.0307 1601 HOH A O 8094 O O . HOH FA . ? 0.6434 0.6668 0.7397 0.1847 -0.0284 -0.1070 1602 HOH A O 8095 O O . HOH FA . ? 0.6926 0.6491 0.5109 -0.0609 0.1155 -0.0010 1603 HOH A O 8096 O O . HOH FA . ? 0.7292 0.6027 0.7617 -0.0733 -0.0086 -0.0931 1604 HOH A O 8097 O O . HOH FA . ? 0.7171 0.7337 0.8694 -0.1420 0.0649 0.0059 1605 HOH A O 8098 O O . HOH FA . ? 0.5466 0.6911 0.7244 -0.0823 -0.0767 -0.0837 1606 HOH A O 8099 O O . HOH FA . ? 0.7529 0.4897 0.5905 -0.0448 0.0148 -0.0063 1607 HOH A O 8100 O O . HOH FA . ? 0.6649 0.6867 0.4712 -0.0480 0.0425 0.0462 1608 HOH A O 8101 O O . HOH FA . ? 0.6569 0.5880 0.4901 -0.0183 0.0585 -0.0009 1609 HOH A O 8102 O O . HOH FA . ? 0.6518 0.4903 0.5411 -0.0485 -0.0538 -0.1831 1610 HOH A O 8103 O O . HOH FA . ? 0.6516 0.5651 0.7641 0.0044 -0.1078 0.0344 1611 HOH A O 8104 O O . HOH FA . ? 0.5890 0.4852 0.8710 -0.0345 0.0639 -0.0006 1612 HOH A O 8105 O O . HOH FA . ? 0.5169 0.8016 0.8939 0.1013 0.0353 0.0593 1613 HOH A O 8106 O O . HOH FA . ? 0.8831 0.7441 0.7326 0.1074 0.0226 0.2387 1614 HOH A O 8107 O O . HOH FA . ? 0.6868 0.7428 0.8080 -0.0688 0.0507 0.0316 1615 HOH A O 8108 O O . HOH FA . ? 0.8949 0.7429 0.7843 0.0113 -0.0339 -0.0637 1616 HOH A O 8109 O O . HOH FA . ? 0.5175 0.6972 0.6139 -0.1256 0.1389 -0.0522 1617 HOH A O 8110 O O . HOH FA . ? 0.9099 0.7915 0.6861 -0.1282 0.2827 0.0581 1618 HOH A O 8111 O O . HOH FA . ? 0.9302 0.7049 0.5950 -0.1568 0.0611 0.1451 1619 HOH A O 8112 O O . HOH FA . ? 0.7409 0.5116 0.7255 0.1573 -0.0033 0.0866 1620 HOH A O 8113 O O . HOH FA . ? 0.8411 0.4635 0.7236 -0.0556 0.1029 -0.0396 1621 HOH A O 8114 O O . HOH FA . ? 0.5559 0.7352 0.6655 0.0254 0.0640 -0.0061 1622 HOH A O 8115 O O . HOH FA . ? 0.8150 0.8480 0.6382 -0.1217 0.1342 -0.0782 1623 HOH A O 8116 O O . HOH FA . ? 0.6375 0.9123 0.3727 -0.0307 0.1342 -0.0454 1624 HOH A O 8117 O O . HOH FA . ? 0.6662 0.8366 0.7601 0.0322 0.0508 0.0318 1625 HOH A O 8118 O O . HOH FA . ? 0.8054 0.6676 0.6507 0.0802 0.2778 0.0759 1626 HOH A O 8119 O O . HOH FA . ? 0.8771 0.8422 0.6425 -0.0606 -0.1011 0.0563 1627 HOH A O 8120 O O . HOH FA . ? 0.7057 0.7878 0.7118 0.1139 0.1437 -0.1319 1628 HOH A O 8121 O O . HOH FA . ? 0.6726 0.8204 0.7707 -0.0280 -0.1622 -0.0467 1629 HOH A O 8122 O O . HOH FA . ? 0.6331 0.9267 0.6816 -0.1142 -0.0829 -0.0690 1630 HOH A O 8123 O O . HOH FA . ? 0.5096 0.6485 0.7259 -0.0283 -0.0423 0.0036 1631 HOH A O 8124 O O . HOH FA . ? 0.8104 0.7604 0.4858 0.1182 -0.0053 -0.0937 1632 HOH A O 8125 O O . HOH FA . ? 0.6037 0.6695 0.6482 -0.0215 0.0520 -0.0558 1633 HOH A O 8126 O O . HOH FA . ? 0.6809 0.7218 0.8042 0.0584 0.0041 -0.0457 1634 HOH A O 8127 O O . HOH FA . ? 1.0170 0.8004 0.6317 0.1659 -0.0003 -0.1029 1635 HOH A O 8128 O O . HOH FA . ? 0.8875 0.7751 0.7294 -0.1304 0.0540 0.1083 1636 HOH A O 8129 O O . HOH FA . ? 0.6335 0.6031 0.6447 0.1449 0.0745 -0.0043 1637 HOH A O 8130 O O . HOH FA . ? 0.7286 0.8070 0.7311 -0.0547 0.0497 0.0661 1638 HOH A O 8131 O O . HOH FA . ? 0.7809 0.7675 0.6295 0.0585 0.2437 0.1469 1639 HOH A O 8132 O O . HOH FA . ? 0.6286 0.6546 0.5440 0.0698 0.0554 -0.0380 1640 HOH A O 8133 O O . HOH FA . ? 0.6507 0.5666 0.7885 -0.0941 -0.0394 -0.1366 1641 HOH A O 8134 O O . HOH FA . ? 0.6935 0.6518 0.6948 -0.0522 0.0196 0.0342 1642 HOH A O 8135 O O . HOH FA . ? 0.7258 0.8019 0.6156 -0.1021 0.0512 0.0167 1643 HOH A O 8136 O O . HOH FA . ? 0.7286 0.8863 0.9307 0.1094 -0.0505 -0.1015 1644 HOH A O 8137 O O . HOH FA . ? 0.7924 0.7559 0.8113 0.1410 -0.0106 -0.0038 1645 HOH A O 8138 O O . HOH FA . ? 0.5841 0.7960 0.7193 -0.0219 0.0349 0.0728 1646 HOH A O 8139 O O . HOH FA . ? 0.5701 0.6767 0.6196 -0.1133 0.1201 -0.0598 1647 HOH A O 8140 O O . HOH FA . ? 0.7965 0.5126 1.0075 -0.1326 0.0107 -0.2000 1648 HOH A O 8141 O O . HOH FA . ? 0.6528 0.6967 0.5903 0.0381 0.0263 0.1581 1649 HOH A O 8142 O O . HOH FA . ? 0.8488 0.7945 0.8716 0.0625 -0.0121 -0.0326 1650 HOH A O 8143 O O . HOH FA . ? 0.5294 0.8566 0.7168 0.0425 -0.1025 0.0198 1651 HOH A O 8144 O O . HOH FA . ? 0.6346 0.6114 0.5969 0.0205 -0.0855 -0.1216 1652 HOH A O 8145 O O . HOH FA . ? 1.0068 0.8271 0.7784 0.0667 -0.0316 0.0834 1653 HOH A O 8146 O O . HOH FA . ? 0.7842 0.7833 0.8299 -0.0495 -0.0297 -0.2069 1654 HOH A O 8147 O O . HOH FA . ? 0.4817 0.5602 0.5942 -0.0070 -0.0711 0.0603 1655 HOH A O 8148 O O . HOH FA . ? 0.5800 0.5814 0.6515 -0.0344 0.0159 0.1168 1656 HOH A O 8149 O O . HOH FA . ? 0.5682 0.6388 0.5195 -0.0313 -0.0101 -0.0808 1657 HOH A O 8150 O O . HOH FA . ? 0.5146 0.8593 0.6858 0.0324 0.0625 0.0186 1658 HOH A O 8151 O O . HOH FA . ? 0.5211 0.8067 0.8553 -0.0305 -0.1042 0.0001 1659 HOH A O 8152 O O . HOH FA . ? 0.7160 0.8355 0.8111 0.0037 -0.0125 -0.0238 1660 HOH A O 8153 O O . HOH FA . ? 0.6543 0.8131 0.9764 0.1968 0.1147 -0.0765 1661 HOH A O 8154 O O . HOH FA . ? 0.8612 0.7065 0.5711 0.0619 0.1402 0.1451 1662 HOH A O 8155 O O . HOH FA . ? 0.6683 0.6630 0.5134 0.0587 0.0053 -0.1324 1663 HOH A O 8156 O O . HOH FA . ? 0.7057 0.8248 0.9137 0.0665 0.0448 0.0397 1664 HOH A O 8157 O O . HOH FA . ? 0.7908 0.7394 0.6965 0.0554 0.0307 0.0205 1665 HOH A O 8158 O O . HOH FA . ? 0.8404 0.6305 0.6455 -0.0348 -0.0655 -0.0219 1666 HOH A O 8159 O O . HOH FA . ? 0.6126 0.4235 0.6751 -0.0115 0.1431 0.0843 1667 HOH A O 8160 O O . HOH FA . ? 0.5966 0.5816 0.3968 0.0714 0.0222 0.0800 1668 HOH A O 8161 O O . HOH FA . ? 0.6200 0.6392 0.7427 -0.0026 0.0421 0.1122 1669 HOH A O 8162 O O . HOH FA . ? 0.6197 0.8145 0.7648 -0.0448 -0.1224 0.0587 1670 HOH A O 8163 O O . HOH FA . ? 0.8195 0.6844 0.8767 0.0670 -0.0686 0.0311 1671 HOH A O 8164 O O . HOH FA . ? 0.8769 0.7738 0.9627 0.0581 0.0765 0.0309 1672 HOH A O 8165 O O . HOH FA . ? 0.6491 0.6127 0.7919 -0.0393 -0.0818 0.1634 1673 HOH A O 8166 O O . HOH FA . ? 0.6752 0.9981 0.8151 0.1652 0.0961 -0.0087 1674 HOH A O 8167 O O . HOH FA . ? 0.6654 0.6787 0.7086 0.0514 -0.0859 0.0877 1675 HOH A O 8168 O O . HOH FA . ? 0.5155 0.7328 0.5110 -0.0353 0.1688 -0.1217 1676 HOH A O 8169 O O . HOH FA . ? 0.7848 0.5996 0.7317 0.0675 0.0010 -0.0797 1677 HOH A O 8170 O O . HOH FA . ? 0.7325 0.7181 0.8136 0.0023 0.0648 0.0477 1678 HOH A O 8171 O O . HOH FA . ? 0.5217 0.6815 0.5224 -0.0677 0.0369 -0.0580 1679 HOH A O 8172 O O . HOH FA . ? 0.5045 0.5292 0.5130 -0.0024 0.1474 -0.0836 1680 HOH A O 8173 O O . HOH FA . ? 0.4868 0.7900 0.6681 -0.1287 -0.0953 -0.0836 1681 HOH A O 8174 O O . HOH FA . ? 0.8001 0.7877 0.5934 -0.0582 -0.0478 -0.0405 1682 HOH A O 8175 O O . HOH FA . ? 0.7838 0.5267 0.5963 0.0631 -0.0032 0.1026 1683 HOH A O 8176 O O . HOH FA . ? 0.8175 0.4971 0.5301 -0.0021 -0.0795 0.0614 1684 HOH A O 8177 O O . HOH FA . ? 0.4357 0.4360 0.4866 0.0130 -0.0034 0.0682 1685 HOH A O 8178 O O . HOH FA . ? 0.6912 0.5540 0.5457 -0.1069 0.0875 -0.1239 1686 HOH A O 8179 O O . HOH FA . ? 0.7089 0.6401 0.5572 0.0593 0.1279 -0.0379 1687 HOH A O 8180 O O . HOH FA . ? 0.8997 0.6061 0.7194 -0.0199 -0.0164 -0.0593 1688 HOH A O 8181 O O . HOH FA . ? 0.4957 0.6947 0.4985 -0.0482 -0.0406 -0.0144 1689 HOH A O 8182 O O . HOH FA . ? 0.5231 0.5841 0.5222 0.0539 0.0529 -0.0815 1690 HOH A O 8183 O O . HOH FA . ? 0.4690 0.3836 0.3350 -0.0545 0.0632 -0.0177 1691 HOH A O 8184 O O . HOH FA . ? 0.6652 0.5516 0.4332 -0.0598 0.0661 0.0061 1692 HOH A O 8185 O O . HOH FA . ? 0.4998 0.7136 0.7761 -0.0748 0.0391 0.0160 1693 HOH A O 8186 O O . HOH FA . ? 0.9159 0.6963 0.6281 0.0685 0.0373 -0.0569 1694 HOH A O 8187 O O . HOH FA . ? 0.7784 0.5945 0.5433 -0.1130 -0.0261 0.1264 1695 HOH A O 8188 O O . HOH FA . ? 0.6700 0.6753 0.6346 -0.0117 0.0270 -0.0766 1696 HOH A O 8189 O O . HOH FA . ? 0.7005 0.9188 0.5797 0.1794 0.0289 0.1115 1697 HOH A O 8190 O O . HOH FA . ? 0.6526 0.9263 0.6367 0.0184 -0.1125 0.0843 1698 HOH A O 8191 O O . HOH FA . ? 0.5880 0.8768 0.9289 0.1592 0.0157 -0.0647 1699 HOH A O 8192 O O . HOH FA . ? 0.5990 0.6047 0.7225 -0.0606 -0.0169 -0.0024 1700 HOH A O 8193 O O . HOH FA . ? 0.8456 0.7353 0.8516 0.1057 0.1279 -0.0064 1701 HOH A O 8194 O O . HOH FA . ? 0.7643 0.9589 0.5137 -0.0546 0.0098 0.0882 1702 HOH A O 8195 O O . HOH FA . ? 0.6581 0.8362 0.5720 -0.1059 -0.0323 0.1127 1703 HOH A O 8196 O O . HOH FA . ? 0.6710 0.3640 0.3867 0.0935 0.0613 -0.0760 1704 HOH A O 8197 O O . HOH FA . ? 0.5653 0.7516 0.9128 0.0666 -0.0883 -0.1729 1705 HOH A O 8198 O O . HOH FA . ? 0.4782 0.7201 0.7231 -0.0015 0.0257 -0.0474 1706 HOH A O 8199 O O . HOH FA . ? 0.5879 0.8575 0.3691 -0.0414 0.1175 -0.1016 1707 HOH A O 8200 O O . HOH FA . ? 0.5192 0.5091 0.8006 0.1069 0.0800 0.0525 1708 HOH A O 8201 O O . HOH FA . ? 0.6293 0.6654 0.6111 -0.0448 0.0301 -0.1427 1709 HOH A O 8202 O O . HOH FA . ? 0.5194 0.5557 0.3429 0.0000 0.0221 -0.0961 1710 HOH A O 8203 O O . HOH FA . ? 0.4578 0.5177 0.5353 -0.1353 0.0787 -0.0343 1711 HOH A O 8204 O O . HOH FA . ? 0.7808 0.6291 0.6190 0.0061 0.0882 0.2495 1712 HOH A O 8205 O O . HOH FA . ? 0.7356 0.8120 0.7369 -0.0759 -0.0333 0.0604 1713 HOH A O 8206 O O . HOH FA . ? 0.4980 0.4645 0.4757 0.0737 0.0739 0.0450 1714 HOH A O 8207 O O . HOH FA . ? 0.5448 0.9664 0.5636 -0.0385 -0.0656 0.0705 1715 HOH A O 8208 O O . HOH FA . ? 0.6974 0.7815 0.5195 -0.2535 0.0355 -0.0179 1716 HOH A O 8209 O O . HOH FA . ? 0.7455 0.7988 0.6462 -0.0873 0.1122 -0.1488 1717 HOH A O 8210 O O . HOH FA . ? 0.5374 0.5959 0.7996 -0.1375 -0.0581 0.0205 1718 HOH A O 8211 O O . HOH FA . ? 0.5922 0.6682 0.5701 -0.0624 0.1097 0.0124 1719 HOH A O 8212 O O . HOH FA . ? 0.7628 0.8329 0.6024 -0.0621 0.0205 -0.0316 1720 HOH A O 8213 O O . HOH FA . ? 0.6480 0.5403 0.4853 -0.1730 0.0587 0.1348 1721 HOH A O 8214 O O . HOH FA . ? 0.6386 0.6798 0.6994 0.1121 0.0730 0.2009 1722 HOH A O 8215 O O . HOH FA . ? 0.6253 0.6379 0.5083 0.0333 0.0124 -0.1155 1723 HOH A O 8216 O O . HOH FA . ? 0.8690 0.7910 0.9032 -0.1315 -0.0699 0.0214 1724 HOH A O 8217 O O . HOH FA . ? 0.6265 0.7668 0.3870 -0.0171 0.0300 -0.0085 1725 HOH A O 8218 O O . HOH FA . ? 0.9254 0.7303 0.8867 0.0660 0.0335 -0.0981 1726 HOH A O 8219 O O . HOH FA . ? 0.6783 0.7167 0.6505 0.0715 -0.1553 -0.0098 1727 HOH A O 8220 O O . HOH FA . ? 0.8390 0.7382 0.9001 0.1610 0.0136 0.2065 1728 HOH A O 8221 O O . HOH FA . ? 0.5434 0.6597 0.7186 0.0434 -0.0099 0.0008 1729 HOH A O 8222 O O . HOH FA . ? 0.8260 0.6022 0.6481 -0.0606 0.0652 -0.0807 1730 HOH A O 8223 O O . HOH FA . ? 0.5794 0.6940 0.7037 -0.0707 -0.1389 0.0687 1731 HOH A O 8224 O O . HOH FA . ? 0.6696 0.7031 0.7137 0.0531 -0.0511 0.0400 1732 HOH A O 8225 O O . HOH FA . ? 0.7940 0.6059 0.7091 0.0038 0.0291 -0.0013 1733 HOH A O 8226 O O . HOH FA . ? 0.8891 0.7953 1.0198 0.0194 0.0132 -0.0578 1734 HOH A O 8227 O O . HOH FA . ? 0.6300 0.6929 0.7330 0.0477 -0.0074 -0.0307 1735 HOH A O 8228 O O . HOH FA . ? 0.6546 0.5025 0.4103 0.0384 0.0791 0.0405 1736 HOH A O 8229 O O . HOH FA . ? 0.4842 0.5492 0.5607 0.0736 -0.0150 -0.1119 1737 HOH A O 8230 O O . HOH FA . ? 0.6627 1.0136 0.7483 -0.0590 -0.0737 -0.0418 1738 HOH A O 8231 O O . HOH FA . ? 0.8775 0.6974 0.9173 0.0165 0.0896 -0.1449 1739 HOH A O 8232 O O . HOH FA . ? 0.5126 0.8076 0.7360 -0.0776 0.0826 0.0849 1740 HOH A O 8233 O O . HOH FA . ? 0.6601 0.6796 0.4193 0.0432 0.0330 -0.0654 1741 HOH A O 8234 O O . HOH FA . ? 0.6413 0.8660 0.7699 0.1173 -0.0718 0.0430 1742 HOH A O 8235 O O . HOH FA . ? 0.5837 0.5959 0.5886 -0.0701 0.0544 -0.1225 1743 HOH A O 8236 O O . HOH FA . ? 0.6503 0.6632 0.7449 -0.1750 0.1083 0.1418 1744 HOH A O 8237 O O . HOH FA . ? 0.7634 0.6001 0.5428 -0.0714 0.0775 -0.0874 1745 HOH A O 8238 O O . HOH FA . ? 0.6851 0.8063 0.5843 0.1293 0.1881 -0.0563 1746 HOH A O 8239 O O . HOH FA . ? 0.8612 0.6974 0.9458 0.1627 -0.0716 -0.0093 1747 HOH A O 8240 O O . HOH FA . ? 0.6656 0.9615 0.7457 0.1554 0.0302 -0.0407 1748 HOH A O 8241 O O . HOH FA . ? 0.9619 0.8829 0.9932 -0.1448 0.0902 -0.0452 1749 HOH A O 8242 O O . HOH FA . ? 0.4249 0.6039 0.4565 0.1031 -0.0465 -0.0212 1750 HOH A O 8243 O O . HOH FA . ? 0.7930 0.6610 0.8775 0.0654 0.0818 0.0459 1751 HOH A O 8244 O O . HOH FA . ? 0.6041 0.8151 0.8496 0.0738 0.0621 -0.0226 1752 HOH A O 8245 O O . HOH FA . ? 0.5580 0.6506 0.5922 -0.0744 -0.0094 -0.0568 1753 HOH A O 8246 O O . HOH FA . ? 0.7915 0.8518 0.8238 0.1146 0.1842 -0.1464 1754 HOH A O 8247 O O . HOH FA . ? 0.8082 0.8617 0.6995 -0.0500 -0.0731 0.1796 1755 HOH A O 8248 O O . HOH FA . ? 0.8113 0.8473 0.6004 0.0027 0.0403 -0.0317 1756 HOH A O 8249 O O . HOH FA . ? 0.9107 0.5588 0.6633 -0.0097 0.0273 0.1113 1757 HOH A O 8250 O O . HOH FA . ? 0.4840 0.8413 0.9665 0.0923 -0.0376 0.2671 1758 HOH A O 8251 O O . HOH FA . ? 0.9313 0.8815 0.5967 0.0157 0.0693 -0.1370 1759 HOH A O 8252 O O . HOH FA . ? 1.0089 0.8728 0.5401 0.0534 -0.0768 -0.1666 1760 HOH A O 8253 O O . HOH FA . ? 0.7660 0.9807 0.5487 -0.1351 0.1555 -0.0401 1761 HOH A O 8254 O O . HOH FA . ? 0.7986 0.7569 0.6440 -0.0495 0.2223 -0.0049 1762 HOH A O 8255 O O . HOH FA . ? 0.5760 0.5842 0.6008 0.0201 -0.0517 -0.0484 1763 HOH A O 8256 O O . HOH FA . ? 0.7517 0.7698 0.7940 -0.1857 -0.1616 0.0130 1764 HOH A O 8257 O O . HOH FA . ? 0.8409 0.6302 0.8810 -0.1996 0.0213 0.0137 1765 HOH A O 8258 O O . HOH FA . ? 0.6483 0.5698 0.7201 0.0230 0.1321 -0.0631 1766 HOH A O 8259 O O . HOH FA . ? 0.7048 0.9527 0.8695 0.0269 0.0882 -0.0917 1767 HOH A O 8260 O O . HOH FA . ? 0.8495 0.7092 0.5601 -0.0424 0.1922 -0.0087 1768 HOH A O 8261 O O . HOH FA . ? 0.8933 0.7699 0.7799 0.0009 -0.1057 0.0842 1769 HOH A O 8262 O O . HOH FA . ? 0.7606 0.9439 0.7765 -0.0240 0.0746 -0.0840 1770 HOH A O 8263 O O . HOH FA . ? 0.7938 0.6843 0.5979 -0.0137 0.0716 0.2231 1771 HOH A O 8264 O O . HOH FA . ? 0.5215 0.4205 0.6157 0.0381 0.1031 0.0146 1772 HOH A O 8265 O O . HOH FA . ? 0.8347 0.8686 0.8609 -0.0635 0.1040 -0.0590 1773 HOH A O 8266 O O . HOH FA . ? 1.0423 0.6768 0.7493 0.0132 0.0594 -0.1274 1774 HOH A O 8267 O O . HOH FA . ? 0.6211 0.4542 0.5568 -0.0838 -0.0713 0.0395 1775 HOH A O 8268 O O . HOH FA . ? 0.5094 0.4253 0.6356 -0.0245 -0.0213 -0.1106 1776 HOH A O 8269 O O . HOH FA . ? 0.6400 0.5566 0.5219 -0.0066 0.0983 0.1074 1777 HOH A O 8270 O O . HOH FA . ? 0.6897 0.6556 0.5788 -0.0148 0.0188 0.0882 1778 HOH A O 8271 O O . HOH FA . ? 0.6915 0.6177 0.5922 -0.0201 0.0733 -0.1332 1779 HOH A O 8272 O O . HOH FA . ? 0.4265 0.3339 0.3525 -0.0433 0.0954 0.0193 1780 HOH A O 8273 O O . HOH FA . ? 0.6357 0.7459 0.8147 -0.2072 -0.1178 0.0832 1781 HOH A O 8274 O O . HOH FA . ? 0.5408 0.5771 0.4887 0.0367 0.1032 -0.0998 1782 HOH A O 8275 O O . HOH FA . ? 0.8346 0.7317 0.6210 -0.1377 0.1893 -0.0454 1783 HOH A O 8276 O O . HOH FA . ? 0.7936 0.6494 0.7407 -0.1911 0.0794 -0.1185 1784 HOH A O 8277 O O . HOH FA . ? 0.6359 0.4838 0.5094 0.0581 0.0319 0.0684 1785 HOH A O 8278 O O . HOH FA . ? 0.4695 0.3443 0.3128 -0.1101 0.0690 0.0132 1786 HOH A O 8279 O O . HOH FA . ? 0.9326 0.5805 0.4955 0.0450 0.0824 -0.0154 1787 HOH A O 8280 O O . HOH FA . ? 1.0862 1.0083 0.7695 0.0147 0.0942 0.1107 1788 HOH A O 8281 O O . HOH FA . ? 0.5521 0.5349 0.5500 -0.0673 -0.0050 0.0019 1789 HOH A O 8282 O O . HOH FA . ? 0.4802 0.5316 0.5423 -0.0386 0.1392 -0.0204 1790 HOH A O 8283 O O . HOH FA . ? 0.4379 0.4328 0.4421 -0.0614 -0.0094 -0.0123 1791 HOH A O 8284 O O . HOH FA . ? 0.6095 0.5555 0.5075 0.0401 -0.0488 -0.0914 1792 HOH A O 8285 O O . HOH FA . ? 0.8738 0.7094 0.8789 0.0693 0.0380 0.0164 1793 HOH A O 8286 O O . HOH FA . ? 0.4599 0.4582 0.5037 -0.0676 0.0610 0.0045 1794 HOH A O 8287 O O . HOH FA . ? 0.6283 0.6818 0.8142 -0.0915 0.0504 -0.0454 1795 HOH A O 8288 O O . HOH FA . ? 0.7500 0.6605 0.5415 -0.0383 0.0560 0.0577 1796 HOH A O 8289 O O . HOH FA . ? 0.7073 0.8887 0.7285 0.0928 0.1305 0.0931 1797 HOH A O 8290 O O . HOH FA . ? 0.5969 0.6088 0.6536 0.0243 -0.1089 0.0113 1798 HOH A O 8291 O O . HOH FA . ? 0.6438 0.6288 0.8515 -0.1312 0.1633 0.1489 1799 HOH A O 8292 O O . HOH FA . ? 0.7898 0.5084 0.6905 -0.1269 -0.0013 0.0551 1800 HOH A O 8293 O O . HOH FA . ? 0.6071 0.6113 0.4399 -0.1227 0.0415 -0.0158 1801 HOH A O 8294 O O . HOH FA . ? 0.8307 0.4677 0.8657 0.0664 0.0958 0.1278 1802 HOH A O 8295 O O . HOH FA . ? 0.8165 0.7101 0.8224 0.0285 -0.0810 0.0571 1803 HOH A O 8296 O O . HOH FA . ? 0.8603 0.9599 0.8518 0.0300 0.0300 -0.0671 1804 HOH A O 8297 O O . HOH FA . ? 0.7332 0.9416 0.7522 -0.2027 0.0140 0.0455 1805 HOH A O 8298 O O . HOH FA . ? 0.8102 0.4972 0.5286 -0.0965 -0.0371 -0.0002 1806 HOH A O 8299 O O . HOH FA . ? 0.5856 0.8693 0.8429 0.0448 0.0368 0.1652 1807 HOH A O 8300 O O . HOH FA . ? 0.4845 0.6997 0.4465 -0.1160 -0.0787 -0.1059 1808 HOH A O 8301 O O . HOH FA . ? 0.5905 0.7540 0.2737 -0.0796 0.1584 0.1713 1809 HOH A O 8302 O O . HOH FA . ? 0.5046 0.7674 0.3392 0.0372 0.1083 0.0803 1810 HOH A O 8303 O O . HOH FA . ? 0.8124 0.5873 0.5822 -0.0095 -0.1075 0.0575 1811 HOH A O 8304 O O . HOH FA . ? 0.5266 0.4608 0.4491 0.0720 0.1046 0.1153 1812 HOH A O 8305 O O . HOH FA . ? 0.7076 0.8045 0.7841 -0.1349 -0.1062 0.0781 1813 HOH A O 8306 O O . HOH FA . ? 0.6944 0.7142 0.7417 -0.0637 -0.1599 0.0061 1814 HOH A O 8307 O O . HOH FA . ? 0.4563 0.4502 0.3865 -0.0451 -0.0189 -0.0078 1815 HOH A O 8308 O O . HOH FA . ? 0.7229 0.8945 0.5305 0.0718 -0.0429 0.1610 1816 HOH A O 8309 O O . HOH FA . ? 0.5782 0.6275 0.6867 0.0012 0.0714 0.0235 1817 HOH A O 8310 O O . HOH FA . ? 0.6442 0.8056 0.6482 -0.1314 0.1101 0.0777 1818 HOH A O 8311 O O . HOH FA . ? 0.6671 0.6868 0.6562 0.0529 -0.0314 -0.0611 1819 HOH A O 8312 O O . HOH FA . ? 0.8829 0.7144 0.7631 0.0517 0.0698 0.0097 1820 HOH A O 8313 O O . HOH FA . ? 0.9023 0.8010 0.7050 -0.0020 -0.0260 -0.0742 1821 HOH A O 8314 O O . HOH FA . ? 0.5399 0.5200 0.4994 0.0210 0.0411 0.0599 1822 HOH A O 8315 O O . HOH FA . ? 0.5484 0.5773 0.5243 -0.0381 0.0396 -0.0094 1823 HOH A O 8316 O O . HOH FA . ? 0.6448 0.9331 0.7968 -0.1039 -0.0881 -0.0370 1824 HOH A O 8317 O O . HOH FA . ? 0.6416 0.4911 0.5206 -0.0108 0.0105 -0.0663 1825 HOH A O 8318 O O . HOH FA . ? 0.7384 0.8360 0.8609 0.0232 0.1862 -0.1299 1826 HOH A O 8319 O O . HOH FA . ? 0.5942 0.8779 0.4449 -0.1218 -0.0114 -0.1397 1827 HOH A O 8320 O O . HOH FA . ? 0.5920 0.7329 0.7220 0.0123 0.1569 -0.1104 1828 HOH A O 8321 O O . HOH FA . ? 0.5784 0.7035 0.6539 0.1072 -0.0720 -0.1001 1829 HOH A O 8322 O O . HOH FA . ? 0.6705 0.9478 0.5974 -0.0152 -0.1348 0.1294 1830 HOH A O 8323 O O . HOH FA . ? 0.5366 0.5659 0.5817 0.0357 -0.0306 0.0060 1831 HOH A O 8324 O O . HOH FA . ? 0.6103 0.6885 0.6528 0.1876 0.0407 -0.0047 1832 HOH A O 8325 O O . HOH FA . ? 0.8643 0.4470 0.8097 -0.1183 -0.0516 -0.1146 1833 HOH A O 8326 O O . HOH FA . ? 0.8147 0.5033 0.5245 0.0153 0.3405 0.0739 1834 HOH A O 8327 O O . HOH FA . ? 1.0353 0.4933 0.5672 -0.0871 -0.0421 -0.0231 1835 HOH A O 8328 O O . HOH FA . ? 0.7551 0.4469 0.5176 -0.0915 0.1227 0.0984 1836 HOH A O 8329 O O . HOH FA . ? 0.6489 0.6745 0.8180 -0.0712 0.0052 0.0847 1837 HOH A O 8330 O O . HOH FA . ? 0.9388 0.7079 0.7811 -0.1735 -0.0183 -0.0040 1838 HOH A O 8331 O O . HOH FA . ? 0.7806 0.4994 0.7141 -0.0181 0.0250 -0.0090 1839 HOH A O 8332 O O . HOH FA . ? 0.7230 0.6185 0.7981 0.0553 -0.0211 -0.1216 1840 HOH A O 8333 O O . HOH FA . ? 0.5723 0.8939 0.9224 -0.0890 0.0002 0.0890 1841 HOH A O 8334 O O . HOH FA . ? 0.5435 0.6227 0.5961 0.0129 0.0011 0.0292 1842 HOH A O 8335 O O . HOH FA . ? 0.6403 0.7735 0.4655 0.1140 -0.0048 -0.1317 1843 HOH A O 8336 O O . HOH FA . ? 0.8457 0.8783 0.8337 -0.0330 -0.0227 0.0560 1844 HOH A O 8337 O O . HOH FA . ? 0.5687 0.5202 0.8266 0.0377 -0.0830 -0.1299 1845 HOH A O 8338 O O . HOH FA . ? 0.6453 0.6470 0.7628 0.0528 -0.1106 -0.0116 1846 HOH A O 8339 O O . HOH FA . ? 0.7746 0.9427 0.7044 0.1136 -0.0392 -0.0319 1847 HOH A O 8340 O O . HOH FA . ? 0.7889 0.6781 0.6053 -0.0425 0.1259 -0.0987 1848 HOH A O 8341 O O . HOH FA . ? 0.5896 0.4982 0.5672 -0.0343 0.0329 0.0503 1849 HOH A O 8342 O O . HOH FA . ? 0.6265 0.5192 0.5029 0.0148 0.0565 -0.1070 1850 HOH A O 8343 O O . HOH FA . ? 0.7852 0.7651 0.9171 -0.0526 -0.0225 0.0698 1851 HOH A O 8344 O O . HOH FA . ? 0.8773 0.9013 0.8910 0.1729 -0.1055 -0.0095 1852 HOH A O 8345 O O . HOH FA . ? 0.5364 0.5418 0.5868 0.0080 0.1250 0.0075 1853 HOH A O 8346 O O . HOH FA . ? 0.6440 0.3284 0.3626 0.0008 0.1141 -0.0345 1854 HOH A O 8347 O O . HOH FA . ? 0.7005 0.5988 0.5433 -0.1121 -0.0135 0.0678 1855 HOH A O 8348 O O . HOH FA . ? 0.6690 0.5756 0.5190 0.0333 0.0016 0.1143 1856 HOH A O 8349 O O . HOH FA . ? 0.6623 0.8703 0.8251 -0.0773 0.0771 -0.1233 1857 HOH A O 8350 O O . HOH FA . ? 0.9298 0.9384 0.5642 0.0607 -0.0173 -0.0633 1858 HOH A O 8351 O O . HOH FA . ? 0.6984 0.8821 0.8468 0.0432 0.0219 0.1669 1859 HOH A O 8352 O O . HOH FA . ? 0.8825 0.5139 0.5066 0.0276 -0.1108 -0.0724 1860 HOH A O 8353 O O . HOH FA . ? 0.8829 0.7078 0.6050 0.1141 -0.1605 -0.1516 1861 HOH A O 8354 O O . HOH FA . ? 0.7918 0.9088 0.8738 0.1118 -0.0222 0.1825 1862 HOH A O 8355 O O . HOH FA . ? 0.5724 0.9602 1.0894 -0.0361 0.0076 -0.0774 1863 HOH A O 8356 O O . HOH FA . ? 0.6326 0.3511 0.5748 -0.0578 -0.0369 0.1376 1864 HOH A O 8357 O O . HOH FA . ? 0.7382 0.5833 0.5368 -0.0163 -0.0488 0.0125 1865 HOH A O 8358 O O . HOH FA . ? 0.6917 0.7662 0.6702 -0.0265 0.0384 -0.0605 1866 HOH A O 8359 O O . HOH FA . ? 0.5875 0.5968 0.5835 -0.0060 0.0516 -0.0983 1867 HOH A O 8360 O O . HOH FA . ? 0.7482 0.6239 0.6199 -0.0651 -0.0696 -0.0162 1868 HOH A O 8361 O O . HOH FA . ? 0.7334 0.7917 0.8445 -0.0405 -0.0128 -0.0866 1869 HOH A O 8362 O O . HOH FA . ? 0.7274 0.7820 0.7207 -0.0008 0.1018 -0.0273 1870 HOH A O 8363 O O . HOH FA . ? 0.6762 0.7903 0.9109 -0.0053 0.1052 0.1052 1871 HOH A O 8364 O O . HOH FA . ? 0.8388 0.8543 0.7530 -0.0097 -0.0058 -0.0584 1872 HOH A O 8365 O O . HOH FA . ? 0.8856 0.8105 0.4745 -0.0819 0.2159 0.0039 1873 HOH A O 8366 O O . HOH FA . ? 0.8704 0.8312 0.6257 -0.0337 0.1137 -0.0763 1874 HOH A O 8367 O O . HOH FA . ? 0.6106 0.5904 0.7821 0.0515 0.1156 -0.0830 1875 HOH A O 8368 O O . HOH FA . ? 0.5989 0.5428 0.5035 -0.0569 0.0134 -0.0430 1876 HOH A O 8369 O O . HOH FA . ? 0.5957 0.7189 0.8809 0.1139 -0.1477 -0.0587 1877 HOH A O 8370 O O . HOH FA . ? 0.8059 0.7222 0.6380 0.1127 0.0407 -0.0751 1878 HOH A O 8371 O O . HOH FA . ? 0.6499 0.5693 0.5250 -0.0566 0.1366 -0.0241 1879 HOH A O 8372 O O . HOH FA . ? 0.6117 0.6968 0.4590 -0.0035 -0.0070 0.0573 1880 HOH A O 8373 O O . HOH FA . ? 0.5085 0.6419 0.7836 0.0102 -0.0543 -0.1192 1881 HOH A O 8374 O O . HOH FA . ? 0.6707 0.5153 0.7241 0.0315 0.0065 -0.0764 1882 HOH A O 8375 O O . HOH FA . ? 0.7404 0.6672 0.7240 -0.1193 0.0323 -0.0991 1883 HOH A O 8376 O O . HOH FA . ? 0.8732 0.8779 0.6846 -0.0458 0.2385 0.0246 1884 HOH A O 8377 O O . HOH FA . ? 0.8150 0.6573 0.7024 -0.0221 0.0654 0.0156 1885 HOH A O 8378 O O . HOH FA . ? 0.6927 0.6746 0.6510 -0.0096 0.0269 0.0911 1886 HOH A O 8379 O O . HOH FA . ? 0.5191 0.6358 0.6897 0.0824 0.0099 0.0229 1887 HOH A O 8380 O O . HOH FA . ? 0.6602 0.7340 0.4964 -0.2555 0.0732 -0.0233 1888 HOH A O 8381 O O . HOH FA . ? 0.6435 0.6966 0.7100 0.1003 0.0274 0.0082 1889 HOH A O 8382 O O . HOH FA . ? 0.8255 0.7532 0.7877 0.0069 0.0824 -0.0127 1890 HOH A O 8383 O O . HOH FA . ? 0.8798 0.9195 0.9320 0.0265 0.1625 0.0485 1891 HOH A O 8384 O O . HOH FA . ? 0.7033 0.6544 0.5969 0.0587 0.0716 -0.0443 1892 HOH A O 8385 O O . HOH FA . ? 0.6036 0.3142 0.5832 -0.0177 0.0189 -0.0381 1893 HOH A O 8386 O O . HOH FA . ? 0.5086 0.5641 0.5580 -0.0161 0.0974 -0.0385 1894 HOH A O 8387 O O . HOH FA . ? 0.8206 0.8141 0.5113 -0.1490 -0.0294 -0.0271 1895 HOH A O 8388 O O . HOH FA . ? 0.4725 0.6497 0.3664 0.0536 -0.0266 -0.1402 1896 HOH A O 8389 O O . HOH FA . ? 0.5045 0.5591 0.4680 -0.0168 0.0952 -0.1016 1897 HOH A O 8390 O O . HOH FA . ? 0.6080 0.6643 0.4770 -0.2051 0.0612 -0.0125 1898 HOH A O 8391 O O . HOH FA . ? 0.5090 0.7231 0.7142 0.0241 -0.0459 0.0594 1899 HOH A O 8392 O O . HOH FA . ? 0.6596 0.8160 0.5494 0.0693 0.0488 -0.0327 1900 HOH A O 8393 O O . HOH FA . ? 0.7785 0.7360 0.7773 -0.0549 -0.1354 0.1435 1901 HOH A O 8394 O O . HOH FA . ? 0.6650 0.6108 0.5793 -0.1360 -0.0393 0.0796 1902 HOH A O 8395 O O . HOH FA . ? 0.5788 0.5261 0.7437 -0.0027 0.1058 -0.0362 1903 HOH A O 8396 O O . HOH FA . ? 0.7113 0.8277 0.7332 0.0264 0.1202 0.0398 1904 HOH A O 8397 O O . HOH FA . ? 0.5930 0.8224 0.6410 0.0325 0.0129 -0.0951 1905 HOH A O 8398 O O . HOH FA . ? 0.6855 0.6394 0.7436 0.0167 0.0913 -0.0958 1906 HOH A O 8399 O O . HOH FA . ? 0.7775 0.7756 0.8544 -0.0812 0.0972 0.0908 1907 HOH A O 8400 O O . HOH FA . ? 0.6957 0.7072 1.0402 -0.1967 0.0789 0.0918 1908 HOH A O 8401 O O . HOH FA . ? 0.6734 0.6510 0.7523 -0.1921 -0.0392 0.1107 1909 HOH A O 8402 O O . HOH FA . ? 0.6210 0.7068 0.8682 -0.0074 -0.1041 -0.1479 1910 HOH A O 8403 O O . HOH FA . ? 0.6554 0.6057 0.7350 0.2057 -0.1104 0.0145 1911 HOH A O 8404 O O . HOH FA . ? 0.6031 0.8935 0.5592 -0.1558 -0.1359 -0.0744 1912 HOH A O 8405 O O . HOH FA . ? 0.6847 0.8667 0.8330 0.0482 -0.2293 -0.0035 1913 HOH A O 8406 O O . HOH FA . ? 0.6340 1.0681 0.8096 0.0936 0.1222 -0.0235 1914 HOH A O 8407 O O . HOH FA . ? 0.8314 0.8260 0.7526 -0.1161 -0.1137 0.0237 1915 HOH A O 8408 O O . HOH FA . ? 0.3389 0.6145 0.4549 -0.0908 0.0523 0.0071 1916 HOH A O 8409 O O . HOH FA . ? 0.6034 0.6478 0.7575 -0.1332 0.0015 -0.1837 1917 HOH A O 8410 O O . HOH FA . ? 0.8374 0.8131 0.7821 0.0552 -0.0828 -0.0053 1918 HOH A O 8411 O O . HOH FA . ? 0.6270 0.7168 0.6047 -0.0154 0.0518 -0.0175 1919 HOH A O 8412 O O . HOH FA . ? 0.5798 0.8974 0.7318 0.0205 -0.0625 -0.2368 1920 HOH A O 8413 O O . HOH FA . ? 0.7364 0.6922 0.8957 -0.0735 -0.0006 0.1437 1921 HOH A O 8414 O O . HOH FA . ? 0.8419 0.7459 0.6948 0.0173 -0.0720 0.0422 1922 HOH A O 8415 O O . HOH FA . ? 0.8912 1.0123 0.5095 0.0882 0.0367 -0.1160 1923 HOH A O 8416 O O . HOH FA . ? 0.5599 0.4693 0.2585 -0.0524 0.0177 0.0445 1924 HOH A O 8417 O O . HOH FA . ? 0.7745 0.8544 0.8827 0.1222 -0.1359 0.1170 1925 HOH A O 8418 O O . HOH FA . ? 0.6459 0.7442 0.7667 -0.2312 -0.1276 -0.0618 1926 HOH A O 8419 O O . HOH FA . ? 0.7658 0.7793 0.6038 -0.0049 0.0454 0.0860 1927 HOH A O 8420 O O . HOH FA . ? 0.7391 0.8814 0.6962 -0.1655 -0.0868 -0.0896 1928 HOH A O 8421 O O . HOH FA . ? 0.7437 0.5836 0.7670 -0.1960 0.0476 -0.2237 1929 HOH A O 8422 O O . HOH FA . ? 0.4883 0.8532 0.8097 0.0354 -0.0200 -0.0539 1930 HOH A O 8423 O O . HOH FA . ? 0.5962 0.4419 0.6352 0.0579 0.2004 0.0503 1931 HOH A O 8424 O O . HOH FA . ? 0.5008 0.4828 0.4484 -0.1785 0.0302 0.1570 1932 HOH A O 8425 O O . HOH FA . ? 0.9125 0.8084 0.7160 -0.0959 0.1522 0.1445 1933 HOH A O 8426 O O . HOH FA . ? 0.7707 0.7844 0.7381 0.0322 0.1125 -0.1828 1934 HOH A O 8427 O O . HOH FA . ? 0.6550 0.5933 0.9184 0.0492 -0.0867 -0.1133 1935 HOH A O 8428 O O . HOH FA . ? 0.5232 0.4472 0.4879 -0.0051 0.0573 -0.1437 1936 HOH A O 8429 O O . HOH FA . ? 0.4459 0.5913 0.7003 0.0768 -0.1032 0.2152 1937 HOH A O 8430 O O . HOH FA . ? 0.7830 0.7311 0.6439 0.0947 -0.0877 -0.0181 1938 HOH A O 8431 O O . HOH FA . ? 0.6515 0.6457 0.7668 -0.0061 0.0189 -0.0497 1939 HOH A O 8432 O O . HOH FA . ? 0.7817 0.7492 0.3437 -0.0108 0.0865 0.0337 1940 HOH A O 8433 O O . HOH FA . ? 0.5078 0.4392 0.4402 -0.0751 0.1253 -0.0454 1941 HOH A O 8434 O O . HOH FA . ? 0.4913 0.6215 0.5913 -0.0199 0.0232 -0.0157 1942 HOH A O 8435 O O . HOH FA . ? 0.6062 0.7448 0.9665 0.1043 0.0979 0.0846 1943 HOH A O 8436 O O . HOH FA . ? 0.9640 0.8793 0.8878 0.0527 0.1105 0.1401 1944 HOH A O 8437 O O . HOH FA . ? 0.5411 0.3561 0.3668 -0.0772 -0.0569 -0.0347 1945 HOH A O 8438 O O . HOH FA . ? 0.5128 0.7190 0.7239 0.0153 -0.1310 -0.0202 1946 HOH A O 8439 O O . HOH FA . ? 0.7397 0.7903 0.5160 -0.1452 -0.0217 -0.0479 1947 HOH A O 8440 O O . HOH FA . ? 0.7422 0.7266 0.6072 0.0024 -0.0375 -0.1877 1948 HOH A O 8441 O O . HOH FA . ? 0.7001 0.6053 0.5369 -0.1118 -0.0400 0.0581 1949 HOH A O 8442 O O . HOH FA . ? 0.6495 0.4462 0.5164 -0.0112 0.0081 -0.1951 1950 HOH A O 8443 O O . HOH FA . ? 0.7478 0.7377 0.5831 -0.0307 0.0886 -0.0745 1951 HOH A O 8444 O O . HOH FA . ? 0.5688 0.8647 0.6692 -0.0512 -0.0245 -0.1509 1952 HOH A O 8445 O O . HOH FA . ? 0.5905 0.5322 0.7557 0.0318 -0.1016 0.0295 1953 HOH A O 8446 O O . HOH FA . ? 0.5877 0.8108 0.6727 -0.0173 0.2465 -0.1280 1954 HOH A O 8447 O O . HOH FA . ? 0.7482 0.6896 0.6775 -0.0105 -0.1530 -0.0931 1955 HOH A O 8448 O O . HOH FA . ? 0.8905 0.8987 0.8618 0.0796 0.0430 -0.0915 1956 HOH A O 8449 O O . HOH FA . ? 0.8674 0.4333 0.7951 -0.0682 0.1779 0.1508 1957 HOH A O 8450 O O . HOH FA . ? 0.6622 0.6167 0.7811 -0.1005 -0.0312 -0.0528 1958 HOH A O 8451 O O . HOH FA . ? 0.7691 0.7427 0.5938 0.0343 0.1777 0.0060 1959 HOH A O 8452 O O . HOH FA . ? 0.5479 0.5929 0.7939 0.0864 -0.0282 -0.0196 1960 HOH A O 8453 O O . HOH FA . ? 0.8144 0.8223 0.7186 -0.0304 -0.0839 0.0781 1961 HOH A O 8454 O O . HOH FA . ? 0.7472 0.5948 0.7527 0.0470 0.0953 -0.0007 1962 HOH A O 8455 O O . HOH FA . ? 0.7759 0.6210 0.7185 0.0048 0.1641 0.1377 1963 HOH A O 8456 O O . HOH FA . ? 0.7123 0.8524 0.6933 -0.0125 0.0920 0.0568 1964 HOH A O 8457 O O . HOH FA . ? 0.7956 0.8587 0.6226 -0.0169 0.0749 -0.0926 1965 HOH A O 8458 O O . HOH FA . ? 0.5058 0.6257 0.5312 0.0260 -0.0972 -0.0748 1966 HOH A O 8459 O O . HOH FA . ? 0.7100 0.7699 0.7117 -0.0445 -0.0449 0.0445 1967 HOH A O 8460 O O . HOH FA . ? 0.7117 0.7224 0.7951 0.0578 -0.0960 0.1327 1968 HOH A O 8461 O O . HOH FA . ? 0.7508 0.6963 0.6869 -0.0997 -0.0297 -0.0837 1969 HOH A O 8462 O O . HOH FA . ? 0.5177 0.6747 0.5296 -0.0674 -0.1097 -0.0029 1970 HOH A O 8463 O O . HOH FA . ? 0.7092 0.7228 0.7577 0.0682 0.0550 0.0470 1971 HOH A O 8464 O O . HOH FA . ? 0.6892 0.7954 0.4957 -0.0910 0.1114 0.0452 1972 HOH A O 8465 O O . HOH FA . ? 0.7641 0.7444 0.5267 -0.0115 -0.1286 0.0459 1973 HOH A O 8466 O O . HOH FA . ? 0.8421 0.5077 0.8348 -0.0906 0.0099 0.0269 1974 HOH A O 8467 O O . HOH FA . ? 0.6617 0.6375 0.5717 -0.0392 -0.0185 0.0372 1975 HOH A O 8468 O O . HOH FA . ? 0.4645 0.4104 0.4340 0.0721 0.0726 0.0765 1976 HOH A O 8469 O O . HOH FA . ? 0.9816 0.8099 0.3891 -0.0041 0.2663 -0.0949 1977 HOH A O 8470 O O . HOH FA . ? 0.8031 0.6001 0.6842 -0.0353 -0.0217 0.0018 1978 HOH A O 8471 O O . HOH FA . ? 0.3545 0.4800 0.4524 -0.0489 0.0524 0.0769 1979 HOH A O 8472 O O . HOH FA . ? 0.7289 0.6446 0.7762 -0.1948 -0.0143 -0.1787 1980 HOH A O 8473 O O . HOH FA . ? 0.5340 0.6151 0.5199 -0.0011 0.0185 0.0468 1981 HOH A O 8474 O O . HOH FA . ? 0.9086 0.9283 1.0606 0.1073 -0.0320 -0.0565 1982 HOH A O 8475 O O . HOH FA . ? 0.8135 0.8603 0.7007 0.1870 0.0430 -0.0196 1983 HOH A O 8476 O O . HOH FA . ? 0.7113 0.9413 0.7535 -0.1145 0.0035 -0.1205 1984 HOH A O 8477 O O . HOH FA . ? 0.6500 0.5492 0.6552 0.0676 -0.0345 0.0721 1985 HOH A O 8478 O O . HOH FA . ? 0.5442 0.5556 0.8041 -0.0657 -0.0101 -0.0107 1986 HOH A O 8479 O O . HOH FA . ? 0.6076 0.6763 0.5291 -0.1437 0.1699 -0.1082 1987 HOH A O 8480 O O . HOH FA . ? 0.5619 0.6186 0.6612 -0.0488 -0.0693 0.1113 1988 HOH A O 8481 O O . HOH FA . ? 0.5271 0.8080 0.8357 -0.1006 0.0156 0.0440 1989 HOH A O 8482 O O . HOH FA . ? 1.1258 1.2140 0.7654 0.2757 -0.1198 0.2162 1990 HOH A O 8483 O O . HOH FA . ? 0.8935 0.8975 0.9676 0.0054 0.1023 0.0117 1991 HOH A O 8484 O O . HOH FA . ? 0.5570 0.6491 0.4147 0.0024 0.0679 0.0332 1992 HOH A O 8485 O O . HOH FA . ? 0.8845 0.7675 0.5710 0.0491 0.1033 -0.1432 1993 HOH A O 8486 O O . HOH FA . ? 0.6301 0.7933 0.8944 0.1373 0.0802 -0.1224 1994 HOH A O 8487 O O . HOH FA . ? 0.6010 0.6925 0.6688 0.0856 -0.0719 -0.0220 1995 HOH A O 8488 O O . HOH FA . ? 0.5675 0.6126 0.7138 -0.0827 -0.0518 0.0591 1996 HOH A O 8489 O O . HOH FA . ? 0.5984 0.5032 0.9151 -0.1213 -0.1332 -0.0223 1997 HOH A O 8490 O O . HOH FA . ? 0.4867 0.6858 0.5941 -0.0785 -0.0529 -0.0567 1998 HOH A O 8491 O O . HOH FA . ? 0.9320 0.5313 1.0813 -0.1128 0.0218 -0.0294 1999 HOH A O 8492 O O . HOH FA . ? 0.5199 0.6077 0.3990 0.1367 0.1033 0.0073 2000 HOH A O 8493 O O . HOH FA . ? 0.5785 0.6421 0.5139 0.0639 0.2125 -0.1517 2001 HOH A O 8494 O O . HOH FA . ? 0.5311 0.5932 0.5937 -0.1010 0.1568 0.0238 2002 HOH A O 8495 O O . HOH FA . ? 0.6892 0.5843 0.7900 -0.0638 -0.0137 -0.0207 2003 HOH A O 8496 O O . HOH FA . ? 0.8390 0.8117 0.6431 -0.0366 -0.1172 -0.0638 2004 HOH A O 8497 O O . HOH GA . ? 0.8291 0.7372 0.8804 -0.0211 -0.2368 0.0277 101 HOH B O 8498 O O . HOH GA . ? 0.5374 0.6877 0.7131 0.0499 0.0950 -0.0226 102 HOH B O # 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 GLN 1 63 63 GLN GLN A . n A 1 2 SER 2 64 64 SER SER A . n A 1 3 LYS 3 65 65 LYS LYS A . n A 1 4 PRO 4 66 66 PRO PRO A . n A 1 5 TRP 5 67 67 TRP TRP A . n A 1 6 ASN 6 68 68 ASN ASN A . n A 1 7 ARG 7 69 69 ARG ARG A . n A 1 8 TYR 8 70 70 TYR TYR A . n A 1 9 ARG 9 71 71 ARG ARG A . n A 1 10 LEU 10 72 72 LEU LEU A . n A 1 11 PRO 11 73 73 PRO PRO A . n A 1 12 THR 12 74 74 THR THR A . n A 1 13 THR 13 75 75 THR THR A . n A 1 14 LEU 14 76 76 LEU LEU A . n A 1 15 LEU 15 77 77 LEU LEU A . n A 1 16 PRO 16 78 78 PRO PRO A . n A 1 17 ASP 17 79 79 ASP ASP A . n A 1 18 SER 18 80 80 SER SER A . n A 1 19 TYR 19 81 81 TYR TYR A . n A 1 20 ASN 20 82 82 ASN ASN A . n A 1 21 VAL 21 83 83 VAL VAL A . n A 1 22 THR 22 84 84 THR THR A . n A 1 23 LEU 23 85 85 LEU LEU A . n A 1 24 ARG 24 86 86 ARG ARG A . n A 1 25 PRO 25 87 87 PRO PRO A . n A 1 26 TYR 26 88 88 TYR TYR A . n A 1 27 LEU 27 89 89 LEU LEU A . n A 1 28 THR 28 90 90 THR THR A . n A 1 29 PRO 29 91 91 PRO PRO A . n A 1 30 ASN 30 92 92 ASN ASN A . n A 1 31 ALA 31 93 93 ALA ALA A . n A 1 32 ASP 32 94 94 ASP ASP A . n A 1 33 GLY 33 95 95 GLY GLY A . n A 1 34 LEU 34 96 96 LEU LEU A . n A 1 35 TYR 35 97 97 TYR TYR A . n A 1 36 ILE 36 98 98 ILE ILE A . n A 1 37 PHE 37 99 99 PHE PHE A . n A 1 38 LYS 38 100 100 LYS LYS A . n A 1 39 GLY 39 101 101 GLY GLY A . n A 1 40 LYS 40 102 102 LYS LYS A . n A 1 41 SER 41 103 103 SER SER A . n A 1 42 ILE 42 104 104 ILE ILE A . n A 1 43 VAL 43 105 105 VAL VAL A . n A 1 44 ARG 44 106 106 ARG ARG A . n A 1 45 PHE 45 107 107 PHE PHE A . n A 1 46 LEU 46 108 108 LEU LEU A . n A 1 47 CYS 47 109 109 CYS CYS A . n A 1 48 GLN 48 110 110 GLN GLN A . n A 1 49 GLU 49 111 111 GLU GLU A . n A 1 50 PRO 50 112 112 PRO PRO A . n A 1 51 THR 51 113 113 THR THR A . n A 1 52 ASP 52 114 114 ASP ASP A . n A 1 53 VAL 53 115 115 VAL VAL A . n A 1 54 ILE 54 116 116 ILE ILE A . n A 1 55 ILE 55 117 117 ILE ILE A . n A 1 56 ILE 56 118 118 ILE ILE A . n A 1 57 HIS 57 119 119 HIS HIS A . n A 1 58 SER 58 120 120 SER SER A . n A 1 59 LYS 59 121 121 LYS LYS A . n A 1 60 LYS 60 122 122 LYS LYS A . n A 1 61 LEU 61 123 123 LEU LEU A . n A 1 62 ASN 62 124 124 ASN ASN A . n A 1 63 TYR 63 125 125 TYR TYR A . n A 1 64 THR 64 126 126 THR THR A . n A 1 65 THR 65 127 127 THR THR A . n A 1 66 GLN 66 128 128 GLN GLN A . n A 1 67 GLY 67 129 129 GLY GLY A . n A 1 68 HIS 68 130 130 HIS HIS A . n A 1 69 MET 69 131 131 MET MET A . n A 1 70 VAL 70 132 132 VAL VAL A . n A 1 71 VAL 71 133 133 VAL VAL A . n A 1 72 LEU 72 134 134 LEU LEU A . n A 1 73 ARG 73 135 135 ARG ARG A . n A 1 74 GLY 74 136 136 GLY GLY A . n A 1 75 VAL 75 137 137 VAL VAL A . n A 1 76 GLY 76 138 138 GLY GLY A . n A 1 77 ASP 77 139 139 ASP ASP A . n A 1 78 SER 78 140 140 SER SER A . n A 1 79 GLN 79 141 141 GLN GLN A . n A 1 80 VAL 80 142 142 VAL VAL A . n A 1 81 PRO 81 143 143 PRO PRO A . n A 1 82 GLU 82 144 144 GLU GLU A . n A 1 83 ILE 83 145 145 ILE ILE A . n A 1 84 ASP 84 146 146 ASP ASP A . n A 1 85 ARG 85 147 147 ARG ARG A . n A 1 86 THR 86 148 148 THR THR A . n A 1 87 GLU 87 149 149 GLU GLU A . n A 1 88 LEU 88 150 150 LEU LEU A . n A 1 89 VAL 89 151 151 VAL VAL A . n A 1 90 GLU 90 152 152 GLU GLU A . n A 1 91 LEU 91 153 153 LEU LEU A . n A 1 92 THR 92 154 154 THR THR A . n A 1 93 GLU 93 155 155 GLU GLU A . n A 1 94 TYR 94 156 156 TYR TYR A . n A 1 95 LEU 95 157 157 LEU LEU A . n A 1 96 VAL 96 158 158 VAL VAL A . n A 1 97 VAL 97 159 159 VAL VAL A . n A 1 98 HIS 98 160 160 HIS HIS A . n A 1 99 LEU 99 161 161 LEU LEU A . n A 1 100 LYS 100 162 162 LYS LYS A . n A 1 101 GLY 101 163 163 GLY GLY A . n A 1 102 SER 102 164 164 SER SER A . n A 1 103 LEU 103 165 165 LEU LEU A . n A 1 104 GLN 104 166 166 GLN GLN A . n A 1 105 PRO 105 167 167 PRO PRO A . n A 1 106 GLY 106 168 168 GLY GLY A . n A 1 107 HIS 107 169 169 HIS HIS A . n A 1 108 MET 108 170 170 MET MET A . n A 1 109 TYR 109 171 171 TYR TYR A . n A 1 110 GLU 110 172 172 GLU GLU A . n A 1 111 MET 111 173 173 MET MET A . n A 1 112 GLU 112 174 174 GLU GLU A . n A 1 113 SER 113 175 175 SER SER A . n A 1 114 GLU 114 176 176 GLU GLU A . n A 1 115 PHE 115 177 177 PHE PHE A . n A 1 116 GLN 116 178 178 GLN GLN A . n A 1 117 GLY 117 179 179 GLY GLY A . n A 1 118 GLU 118 180 180 GLU GLU A . n A 1 119 LEU 119 181 181 LEU LEU A . n A 1 120 ALA 120 182 182 ALA ALA A . n A 1 121 ASP 121 183 183 ASP ASP A . n A 1 122 ASP 122 184 184 ASP ASP A . n A 1 123 LEU 123 185 185 LEU LEU A . n A 1 124 ALA 124 186 186 ALA ALA A . n A 1 125 GLY 125 187 187 GLY GLY A . n A 1 126 PHE 126 188 188 PHE PHE A . n A 1 127 TYR 127 189 189 TYR TYR A . n A 1 128 ARG 128 190 190 ARG ARG A . n A 1 129 SER 129 191 191 SER SER A . n A 1 130 GLU 130 192 192 GLU GLU A . n A 1 131 TYR 131 193 193 TYR TYR A . n A 1 132 MET 132 194 194 MET MET A . n A 1 133 GLU 133 195 195 GLU GLU A . n A 1 134 GLY 134 196 196 GLY GLY A . n A 1 135 ASN 135 197 197 ASN ASN A . n A 1 136 VAL 136 198 198 VAL VAL A . n A 1 137 LYS 137 199 199 LYS LYS A . n A 1 138 LYS 138 200 200 LYS LYS A . n A 1 139 VAL 139 201 201 VAL VAL A . n A 1 140 LEU 140 202 202 LEU LEU A . n A 1 141 ALA 141 203 203 ALA ALA A . n A 1 142 THR 142 204 204 THR THR A . n A 1 143 THR 143 205 205 THR THR A . n A 1 144 GLN 144 206 206 GLN GLN A . n A 1 145 MET 145 207 207 MET MET A . n A 1 146 GLN 146 208 208 GLN GLN A . n A 1 147 SER 147 209 209 SER SER A . n A 1 148 THR 148 210 210 THR THR A . n A 1 149 ASP 149 211 211 ASP ASP A . n A 1 150 ALA 150 212 212 ALA ALA A . n A 1 151 ARG 151 213 213 ARG ARG A . n A 1 152 LYS 152 214 214 LYS LYS A . n A 1 153 SER 153 215 215 SER SER A . n A 1 154 PHE 154 216 216 PHE PHE A . n A 1 155 PRO 155 217 217 PRO PRO A . n A 1 156 CYS 156 218 218 CYS CYS A . n A 1 157 PHE 157 219 219 PHE PHE A . n A 1 158 ASP 158 220 220 ASP ASP A . n A 1 159 GLU 159 221 221 GLU GLU A . n A 1 160 PRO 160 222 222 PRO PRO A . n A 1 161 ALA 161 223 223 ALA ALA A . n A 1 162 MET 162 224 224 MET MET A . n A 1 163 LYS 163 225 225 LYS LYS A . n A 1 164 ALA 164 226 226 ALA ALA A . n A 1 165 THR 165 227 227 THR THR A . n A 1 166 PHE 166 228 228 PHE PHE A . n A 1 167 ASN 167 229 229 ASN ASN A . n A 1 168 ILE 168 230 230 ILE ILE A . n A 1 169 THR 169 231 231 THR THR A . n A 1 170 LEU 170 232 232 LEU LEU A . n A 1 171 ILE 171 233 233 ILE ILE A . n A 1 172 HIS 172 234 234 HIS HIS A . n A 1 173 PRO 173 235 235 PRO PRO A . n A 1 174 ASN 174 236 236 ASN ASN A . n A 1 175 ASN 175 237 237 ASN ASN A . n A 1 176 LEU 176 238 238 LEU LEU A . n A 1 177 THR 177 239 239 THR THR A . n A 1 178 ALA 178 240 240 ALA ALA A . n A 1 179 LEU 179 241 241 LEU LEU A . n A 1 180 SER 180 242 242 SER SER A . n A 1 181 ASN 181 243 243 ASN ASN A . n A 1 182 MET 182 244 244 MET MET A . n A 1 183 PRO 183 245 245 PRO PRO A . n A 1 184 PRO 184 246 246 PRO PRO A . n A 1 185 LYS 185 247 247 LYS LYS A . n A 1 186 GLY 186 248 248 GLY GLY A . n A 1 187 SER 187 249 249 SER SER A . n A 1 188 SER 188 250 250 SER SER A . n A 1 189 THR 189 251 251 THR THR A . n A 1 190 PRO 190 252 252 PRO PRO A . n A 1 191 LEU 191 253 253 LEU LEU A . n A 1 192 ALA 192 254 254 ALA ALA A . n A 1 193 GLU 193 255 255 GLU GLU A . n A 1 194 ASP 194 256 256 ASP ASP A . n A 1 195 PRO 195 257 257 PRO PRO A . n A 1 196 ASN 196 258 258 ASN ASN A . n A 1 197 TRP 197 259 259 TRP TRP A . n A 1 198 SER 198 260 260 SER SER A . n A 1 199 VAL 199 261 261 VAL VAL A . n A 1 200 THR 200 262 262 THR THR A . n A 1 201 GLU 201 263 263 GLU GLU A . n A 1 202 PHE 202 264 264 PHE PHE A . n A 1 203 GLU 203 265 265 GLU GLU A . n A 1 204 THR 204 266 266 THR THR A . n A 1 205 THR 205 267 267 THR THR A . n A 1 206 PRO 206 268 268 PRO PRO A . n A 1 207 VAL 207 269 269 VAL VAL A . n A 1 208 MET 208 270 270 MET MET A . n A 1 209 SER 209 271 271 SER SER A . n A 1 210 THR 210 272 272 THR THR A . n A 1 211 TYR 211 273 273 TYR TYR A . n A 1 212 LEU 212 274 274 LEU LEU A . n A 1 213 LEU 213 275 275 LEU LEU A . n A 1 214 ALA 214 276 276 ALA ALA A . n A 1 215 TYR 215 277 277 TYR TYR A . n A 1 216 ILE 216 278 278 ILE ILE A . n A 1 217 VAL 217 279 279 VAL VAL A . n A 1 218 SER 218 280 280 SER SER A . n A 1 219 GLU 219 281 281 GLU GLU A . n A 1 220 PHE 220 282 282 PHE PHE A . n A 1 221 GLN 221 283 283 GLN GLN A . n A 1 222 SER 222 284 284 SER SER A . n A 1 223 VAL 223 285 285 VAL VAL A . n A 1 224 ASN 224 286 286 ASN ASN A . n A 1 225 GLU 225 287 287 GLU GLU A . n A 1 226 THR 226 288 288 THR THR A . n A 1 227 ALA 227 289 289 ALA ALA A . n A 1 228 GLN 228 290 290 GLN GLN A . n A 1 229 ASN 229 291 291 ASN ASN A . n A 1 230 GLY 230 292 292 GLY GLY A . n A 1 231 VAL 231 293 293 VAL VAL A . n A 1 232 LEU 232 294 294 LEU LEU A . n A 1 233 ILE 233 295 295 ILE ILE A . n A 1 234 ARG 234 296 296 ARG ARG A . n A 1 235 ILE 235 297 297 ILE ILE A . n A 1 236 TRP 236 298 298 TRP TRP A . n A 1 237 ALA 237 299 299 ALA ALA A . n A 1 238 ARG 238 300 300 ARG ARG A . n A 1 239 PRO 239 301 301 PRO PRO A . n A 1 240 ASN 240 302 302 ASN ASN A . n A 1 241 ALA 241 303 303 ALA ALA A . n A 1 242 ILE 242 304 304 ILE ILE A . n A 1 243 ALA 243 305 305 ALA ALA A . n A 1 244 GLU 244 306 306 GLU GLU A . n A 1 245 GLY 245 307 307 GLY GLY A . n A 1 246 HIS 246 308 308 HIS HIS A . n A 1 247 GLY 247 309 309 GLY GLY A . n A 1 248 MET 248 310 310 MET MET A . n A 1 249 TYR 249 311 311 TYR TYR A . n A 1 250 ALA 250 312 312 ALA ALA A . n A 1 251 LEU 251 313 313 LEU LEU A . n A 1 252 ASN 252 314 314 ASN ASN A . n A 1 253 VAL 253 315 315 VAL VAL A . n A 1 254 THR 254 316 316 THR THR A . n A 1 255 GLY 255 317 317 GLY GLY A . n A 1 256 PRO 256 318 318 PRO PRO A . n A 1 257 ILE 257 319 319 ILE ILE A . n A 1 258 LEU 258 320 320 LEU LEU A . n A 1 259 ASN 259 321 321 ASN ASN A . n A 1 260 PHE 260 322 322 PHE PHE A . n A 1 261 PHE 261 323 323 PHE PHE A . n A 1 262 ALA 262 324 324 ALA ALA A . n A 1 263 ASN 263 325 325 ASN ASN A . n A 1 264 HIS 264 326 326 HIS HIS A . n A 1 265 TYR 265 327 327 TYR TYR A . n A 1 266 ASN 266 328 328 ASN ASN A . n A 1 267 THR 267 329 329 THR THR A . n A 1 268 SER 268 330 330 SER SER A . n A 1 269 TYR 269 331 331 TYR TYR A . n A 1 270 PRO 270 332 332 PRO PRO A . n A 1 271 LEU 271 333 333 LEU LEU A . n A 1 272 PRO 272 334 334 PRO PRO A . n A 1 273 LYS 273 335 335 LYS LYS A . n A 1 274 SER 274 336 336 SER SER A . n A 1 275 ASP 275 337 337 ASP ASP A . n A 1 276 GLN 276 338 338 GLN GLN A . n A 1 277 ILE 277 339 339 ILE ILE A . n A 1 278 ALA 278 340 340 ALA ALA A . n A 1 279 LEU 279 341 341 LEU LEU A . n A 1 280 PRO 280 342 342 PRO PRO A . n A 1 281 ASP 281 343 343 ASP ASP A . n A 1 282 PHE 282 344 344 PHE PHE A . n A 1 283 ASN 283 345 345 ASN ASN A . n A 1 284 ALA 284 346 346 ALA ALA A . n A 1 285 GLY 285 347 347 GLY GLY A . n A 1 286 ALA 286 348 348 ALA ALA A . n A 1 287 MET 287 349 349 MET MET A . n A 1 288 GLU 288 350 350 GLU GLU A . n A 1 289 ASN 289 351 351 ASN ASN A . n A 1 290 TRP 290 352 352 TRP TRP A . n A 1 291 GLY 291 353 353 GLY GLY A . n A 1 292 LEU 292 354 354 LEU LEU A . n A 1 293 VAL 293 355 355 VAL VAL A . n A 1 294 THR 294 356 356 THR THR A . n A 1 295 TYR 295 357 357 TYR TYR A . n A 1 296 ARG 296 358 358 ARG ARG A . n A 1 297 GLU 297 359 359 GLU GLU A . n A 1 298 ASN 298 360 360 ASN ASN A . n A 1 299 ALA 299 361 361 ALA ALA A . n A 1 300 LEU 300 362 362 LEU LEU A . n A 1 301 LEU 301 363 363 LEU LEU A . n A 1 302 PHE 302 364 364 PHE PHE A . n A 1 303 ASP 303 365 365 ASP ASP A . n A 1 304 PRO 304 366 366 PRO PRO A . n A 1 305 GLN 305 367 367 GLN GLN A . n A 1 306 SER 306 368 368 SER SER A . n A 1 307 SER 307 369 369 SER SER A . n A 1 308 SER 308 370 370 SER SER A . n A 1 309 ILE 309 371 371 ILE ILE A . n A 1 310 SER 310 372 372 SER SER A . n A 1 311 ASN 311 373 373 ASN ASN A . n A 1 312 LYS 312 374 374 LYS LYS A . n A 1 313 GLU 313 375 375 GLU GLU A . n A 1 314 ARG 314 376 376 ARG ARG A . n A 1 315 VAL 315 377 377 VAL VAL A . n A 1 316 VAL 316 378 378 VAL VAL A . n A 1 317 THR 317 379 379 THR THR A . n A 1 318 VAL 318 380 380 VAL VAL A . n A 1 319 ILE 319 381 381 ILE ILE A . n A 1 320 ALA 320 382 382 ALA ALA A . n A 1 321 HIS 321 383 383 HIS HIS A . n A 1 322 GLU 322 384 384 GLU GLU A . n A 1 323 LEU 323 385 385 LEU LEU A . n A 1 324 ALA 324 386 386 ALA ALA A . n A 1 325 HIS 325 387 387 HIS HIS A . n A 1 326 GLN 326 388 388 GLN GLN A . n A 1 327 TRP 327 389 389 TRP TRP A . n A 1 328 PHE 328 390 390 PHE PHE A . n A 1 329 GLY 329 391 391 GLY GLY A . n A 1 330 ASN 330 392 392 ASN ASN A . n A 1 331 LEU 331 393 393 LEU LEU A . n A 1 332 VAL 332 394 394 VAL VAL A . n A 1 333 THR 333 395 395 THR THR A . n A 1 334 LEU 334 396 396 LEU LEU A . n A 1 335 ALA 335 397 397 ALA ALA A . n A 1 336 TRP 336 398 398 TRP TRP A . n A 1 337 TRP 337 399 399 TRP TRP A . n A 1 338 ASN 338 400 400 ASN ASN A . n A 1 339 ASP 339 401 401 ASP ASP A . n A 1 340 LEU 340 402 402 LEU LEU A . n A 1 341 TRP 341 403 403 TRP TRP A . n A 1 342 LEU 342 404 404 LEU LEU A . n A 1 343 ASN 343 405 405 ASN ASN A . n A 1 344 GLU 344 406 406 GLU GLU A . n A 1 345 GLY 345 407 407 GLY GLY A . n A 1 346 PHE 346 408 408 PHE PHE A . n A 1 347 ALA 347 409 409 ALA ALA A . n A 1 348 SER 348 410 410 SER SER A . n A 1 349 TYR 349 411 411 TYR TYR A . n A 1 350 VAL 350 412 412 VAL VAL A . n A 1 351 GLU 351 413 413 GLU GLU A . n A 1 352 TYR 352 414 414 TYR TYR A . n A 1 353 LEU 353 415 415 LEU LEU A . n A 1 354 GLY 354 416 416 GLY GLY A . n A 1 355 ALA 355 417 417 ALA ALA A . n A 1 356 ASP 356 418 418 ASP ASP A . n A 1 357 HIS 357 419 419 HIS HIS A . n A 1 358 ALA 358 420 420 ALA ALA A . n A 1 359 GLU 359 421 421 GLU GLU A . n A 1 360 PRO 360 422 422 PRO PRO A . n A 1 361 THR 361 423 423 THR THR A . n A 1 362 TRP 362 424 424 TRP TRP A . n A 1 363 ASN 363 425 425 ASN ASN A . n A 1 364 LEU 364 426 426 LEU LEU A . n A 1 365 LYS 365 427 427 LYS LYS A . n A 1 366 ASP 366 428 428 ASP ASP A . n A 1 367 LEU 367 429 429 LEU LEU A . n A 1 368 ILE 368 430 430 ILE ILE A . n A 1 369 VAL 369 431 431 VAL VAL A . n A 1 370 PRO 370 432 432 PRO PRO A . n A 1 371 GLY 371 433 433 GLY GLY A . n A 1 372 ASP 372 434 434 ASP ASP A . n A 1 373 VAL 373 435 435 VAL VAL A . n A 1 374 TYR 374 436 436 TYR TYR A . n A 1 375 ARG 375 437 437 ARG ARG A . n A 1 376 VAL 376 438 438 VAL VAL A . n A 1 377 MET 377 439 439 MET MET A . n A 1 378 ALA 378 440 440 ALA ALA A . n A 1 379 VAL 379 441 441 VAL VAL A . n A 1 380 ASP 380 442 442 ASP ASP A . n A 1 381 ALA 381 443 443 ALA ALA A . n A 1 382 LEU 382 444 444 LEU LEU A . n A 1 383 ALA 383 445 445 ALA ALA A . n A 1 384 SER 384 446 446 SER SER A . n A 1 385 SER 385 447 447 SER SER A . n A 1 386 HIS 386 448 448 HIS HIS A . n A 1 387 PRO 387 449 449 PRO PRO A . n A 1 388 LEU 388 450 450 LEU LEU A . n A 1 389 THR 389 451 451 THR THR A . n A 1 390 THR 390 452 452 THR THR A . n A 1 391 PRO 391 453 453 PRO PRO A . n A 1 392 ALA 392 454 454 ALA ALA A . n A 1 393 GLU 393 455 455 GLU GLU A . n A 1 394 GLU 394 456 456 GLU GLU A . n A 1 395 VAL 395 457 457 VAL VAL A . n A 1 396 ASN 396 458 458 ASN ASN A . n A 1 397 THR 397 459 459 THR THR A . n A 1 398 PRO 398 460 460 PRO PRO A . n A 1 399 ALA 399 461 461 ALA ALA A . n A 1 400 GLN 400 462 462 GLN GLN A . n A 1 401 ILE 401 463 463 ILE ILE A . n A 1 402 SER 402 464 464 SER SER A . n A 1 403 GLU 403 465 465 GLU GLU A . n A 1 404 MET 404 466 466 MET MET A . n A 1 405 PHE 405 467 467 PHE PHE A . n A 1 406 ASP 406 468 468 ASP ASP A . n A 1 407 SER 407 469 469 SER SER A . n A 1 408 ILE 408 470 470 ILE ILE A . n A 1 409 SER 409 471 471 SER SER A . n A 1 410 TYR 410 472 472 TYR TYR A . n A 1 411 SER 411 473 473 SER SER A . n A 1 412 LYS 412 474 474 LYS LYS A . n A 1 413 GLY 413 475 475 GLY GLY A . n A 1 414 ALA 414 476 476 ALA ALA A . n A 1 415 SER 415 477 477 SER SER A . n A 1 416 VAL 416 478 478 VAL VAL A . n A 1 417 ILE 417 479 479 ILE ILE A . n A 1 418 ARG 418 480 480 ARG ARG A . n A 1 419 MET 419 481 481 MET MET A . n A 1 420 LEU 420 482 482 LEU LEU A . n A 1 421 SER 421 483 483 SER SER A . n A 1 422 ASN 422 484 484 ASN ASN A . n A 1 423 PHE 423 485 485 PHE PHE A . n A 1 424 LEU 424 486 486 LEU LEU A . n A 1 425 THR 425 487 487 THR THR A . n A 1 426 GLU 426 488 488 GLU GLU A . n A 1 427 ASP 427 489 489 ASP ASP A . n A 1 428 LEU 428 490 490 LEU LEU A . n A 1 429 PHE 429 491 491 PHE PHE A . n A 1 430 LYS 430 492 492 LYS LYS A . n A 1 431 GLU 431 493 493 GLU GLU A . n A 1 432 GLY 432 494 494 GLY GLY A . n A 1 433 LEU 433 495 495 LEU LEU A . n A 1 434 ALA 434 496 496 ALA ALA A . n A 1 435 SER 435 497 497 SER SER A . n A 1 436 TYR 436 498 498 TYR TYR A . n A 1 437 LEU 437 499 499 LEU LEU A . n A 1 438 HIS 438 500 500 HIS HIS A . n A 1 439 ALA 439 501 501 ALA ALA A . n A 1 440 PHE 440 502 502 PHE PHE A . n A 1 441 ALA 441 503 503 ALA ALA A . n A 1 442 TYR 442 504 504 TYR TYR A . n A 1 443 GLN 443 505 505 GLN GLN A . n A 1 444 ASN 444 506 506 ASN ASN A . n A 1 445 THR 445 507 507 THR THR A . n A 1 446 THR 446 508 508 THR THR A . n A 1 447 TYR 447 509 509 TYR TYR A . n A 1 448 LEU 448 510 510 LEU LEU A . n A 1 449 ASP 449 511 511 ASP ASP A . n A 1 450 LEU 450 512 512 LEU LEU A . n A 1 451 TRP 451 513 513 TRP TRP A . n A 1 452 GLU 452 514 514 GLU GLU A . n A 1 453 HIS 453 515 515 HIS HIS A . n A 1 454 LEU 454 516 516 LEU LEU A . n A 1 455 GLN 455 517 517 GLN GLN A . n A 1 456 LYS 456 518 518 LYS LYS A . n A 1 457 ALA 457 519 519 ALA ALA A . n A 1 458 VAL 458 520 520 VAL VAL A . n A 1 459 ASP 459 521 521 ASP ASP A . n A 1 460 ALA 460 522 522 ALA ALA A . n A 1 461 GLN 461 523 523 GLN GLN A . n A 1 462 THR 462 524 524 THR THR A . n A 1 463 SER 463 525 525 SER SER A . n A 1 464 ILE 464 526 526 ILE ILE A . n A 1 465 ARG 465 527 527 ARG ARG A . n A 1 466 LEU 466 528 528 LEU LEU A . n A 1 467 PRO 467 529 529 PRO PRO A . n A 1 468 ASP 468 530 530 ASP ASP A . n A 1 469 THR 469 531 531 THR THR A . n A 1 470 VAL 470 532 532 VAL VAL A . n A 1 471 ARG 471 533 533 ARG ARG A . n A 1 472 ALA 472 534 534 ALA ALA A . n A 1 473 ILE 473 535 535 ILE ILE A . n A 1 474 MET 474 536 536 MET MET A . n A 1 475 ASP 475 537 537 ASP ASP A . n A 1 476 ARG 476 538 538 ARG ARG A . n A 1 477 TRP 477 539 539 TRP TRP A . n A 1 478 THR 478 540 540 THR THR A . n A 1 479 LEU 479 541 541 LEU LEU A . n A 1 480 GLN 480 542 542 GLN GLN A . n A 1 481 MET 481 543 543 MET MET A . n A 1 482 GLY 482 544 544 GLY GLY A . n A 1 483 PHE 483 545 545 PHE PHE A . n A 1 484 PRO 484 546 546 PRO PRO A . n A 1 485 VAL 485 547 547 VAL VAL A . n A 1 486 ILE 486 548 548 ILE ILE A . n A 1 487 THR 487 549 549 THR THR A . n A 1 488 VAL 488 550 550 VAL VAL A . n A 1 489 ASP 489 551 551 ASP ASP A . n A 1 490 THR 490 552 552 THR THR A . n A 1 491 LYS 491 553 553 LYS LYS A . n A 1 492 THR 492 554 554 THR THR A . n A 1 493 GLY 493 555 555 GLY GLY A . n A 1 494 ASN 494 556 556 ASN ASN A . n A 1 495 ILE 495 557 557 ILE ILE A . n A 1 496 SER 496 558 558 SER SER A . n A 1 497 GLN 497 559 559 GLN GLN A . n A 1 498 LYS 498 560 560 LYS LYS A . n A 1 499 HIS 499 561 561 HIS HIS A . n A 1 500 PHE 500 562 562 PHE PHE A . n A 1 501 LEU 501 563 563 LEU LEU A . n A 1 502 LEU 502 564 564 LEU LEU A . n A 1 503 ASP 503 565 565 ASP ASP A . n A 1 504 SER 504 566 566 SER SER A . n A 1 505 GLU 505 567 567 GLU GLU A . n A 1 506 SER 506 568 568 SER SER A . n A 1 507 ASN 507 569 569 ASN ASN A . n A 1 508 VAL 508 570 570 VAL VAL A . n A 1 509 THR 509 571 571 THR THR A . n A 1 510 ARG 510 572 572 ARG ARG A . n A 1 511 SER 511 573 573 SER SER A . n A 1 512 SER 512 574 574 SER SER A . n A 1 513 ALA 513 575 575 ALA ALA A . n A 1 514 PHE 514 576 576 PHE PHE A . n A 1 515 ASP 515 577 577 ASP ASP A . n A 1 516 TYR 516 578 578 TYR TYR A . n A 1 517 LEU 517 579 579 LEU LEU A . n A 1 518 TRP 518 580 580 TRP TRP A . n A 1 519 ILE 519 581 581 ILE ILE A . n A 1 520 VAL 520 582 582 VAL VAL A . n A 1 521 PRO 521 583 583 PRO PRO A . n A 1 522 ILE 522 584 584 ILE ILE A . n A 1 523 SER 523 585 585 SER SER A . n A 1 524 SER 524 586 586 SER SER A . n A 1 525 ILE 525 587 587 ILE ILE A . n A 1 526 LYS 526 588 588 LYS LYS A . n A 1 527 ASN 527 589 589 ASN ASN A . n A 1 528 GLY 528 590 590 GLY GLY A . n A 1 529 VAL 529 591 591 VAL VAL A . n A 1 530 MET 530 592 592 MET MET A . n A 1 531 GLN 531 593 593 GLN GLN A . n A 1 532 ASP 532 594 594 ASP ASP A . n A 1 533 HIS 533 595 595 HIS HIS A . n A 1 534 TYR 534 596 596 TYR TYR A . n A 1 535 TRP 535 597 597 TRP TRP A . n A 1 536 LEU 536 598 598 LEU LEU A . n A 1 537 ARG 537 599 599 ARG ARG A . n A 1 538 ASP 538 600 600 ASP ASP A . n A 1 539 VAL 539 601 601 VAL VAL A . n A 1 540 SER 540 602 602 SER SER A . n A 1 541 GLN 541 603 603 GLN GLN A . n A 1 542 ALA 542 604 604 ALA ALA A . n A 1 543 GLN 543 605 605 GLN GLN A . n A 1 544 ASN 544 606 606 ASN ASN A . n A 1 545 ASP 545 607 607 ASP ASP A . n A 1 546 LEU 546 608 608 LEU LEU A . n A 1 547 PHE 547 609 609 PHE PHE A . n A 1 548 LYS 548 610 610 LYS LYS A . n A 1 549 THR 549 611 611 THR THR A . n A 1 550 ALA 550 612 612 ALA ALA A . n A 1 551 SER 551 613 613 SER SER A . n A 1 552 ASP 552 614 614 ASP ASP A . n A 1 553 ASP 553 615 615 ASP ASP A . n A 1 554 TRP 554 616 616 TRP TRP A . n A 1 555 VAL 555 617 617 VAL VAL A . n A 1 556 LEU 556 618 618 LEU LEU A . n A 1 557 LEU 557 619 619 LEU LEU A . n A 1 558 ASN 558 620 620 ASN ASN A . n A 1 559 VAL 559 621 621 VAL VAL A . n A 1 560 ASN 560 622 622 ASN ASN A . n A 1 561 VAL 561 623 623 VAL VAL A . n A 1 562 THR 562 624 624 THR THR A . n A 1 563 GLY 563 625 625 GLY GLY A . n A 1 564 TYR 564 626 626 TYR TYR A . n A 1 565 PHE 565 627 627 PHE PHE A . n A 1 566 GLN 566 628 628 GLN GLN A . n A 1 567 VAL 567 629 629 VAL VAL A . n A 1 568 ASN 568 630 630 ASN ASN A . n A 1 569 TYR 569 631 631 TYR TYR A . n A 1 570 ASP 570 632 632 ASP ASP A . n A 1 571 GLU 571 633 633 GLU GLU A . n A 1 572 ASP 572 634 634 ASP ASP A . n A 1 573 ASN 573 635 635 ASN ASN A . n A 1 574 TRP 574 636 636 TRP TRP A . n A 1 575 ARG 575 637 637 ARG ARG A . n A 1 576 MET 576 638 638 MET MET A . n A 1 577 ILE 577 639 639 ILE ILE A . n A 1 578 GLN 578 640 640 GLN GLN A . n A 1 579 HIS 579 641 641 HIS HIS A . n A 1 580 GLN 580 642 642 GLN GLN A . n A 1 581 LEU 581 643 643 LEU LEU A . n A 1 582 GLN 582 644 644 GLN GLN A . n A 1 583 THR 583 645 645 THR THR A . n A 1 584 ASN 584 646 646 ASN ASN A . n A 1 585 LEU 585 647 647 LEU LEU A . n A 1 586 SER 586 648 648 SER SER A . n A 1 587 VAL 587 649 649 VAL VAL A . n A 1 588 ILE 588 650 650 ILE ILE A . n A 1 589 PRO 589 651 651 PRO PRO A . n A 1 590 VAL 590 652 652 VAL VAL A . n A 1 591 ILE 591 653 653 ILE ILE A . n A 1 592 ASN 592 654 654 ASN ASN A . n A 1 593 ARG 593 655 655 ARG ARG A . n A 1 594 ALA 594 656 656 ALA ALA A . n A 1 595 GLN 595 657 657 GLN GLN A . n A 1 596 VAL 596 658 658 VAL VAL A . n A 1 597 ILE 597 659 659 ILE ILE A . n A 1 598 TYR 598 660 660 TYR TYR A . n A 1 599 ASP 599 661 661 ASP ASP A . n A 1 600 SER 600 662 662 SER SER A . n A 1 601 PHE 601 663 663 PHE PHE A . n A 1 602 ASN 602 664 664 ASN ASN A . n A 1 603 LEU 603 665 665 LEU LEU A . n A 1 604 ALA 604 666 666 ALA ALA A . n A 1 605 THR 605 667 667 THR THR A . n A 1 606 ALA 606 668 668 ALA ALA A . n A 1 607 HIS 607 669 669 HIS HIS A . n A 1 608 MET 608 670 670 MET MET A . n A 1 609 VAL 609 671 671 VAL VAL A . n A 1 610 PRO 610 672 672 PRO PRO A . n A 1 611 VAL 611 673 673 VAL VAL A . n A 1 612 THR 612 674 674 THR THR A . n A 1 613 LEU 613 675 675 LEU LEU A . n A 1 614 ALA 614 676 676 ALA ALA A . n A 1 615 LEU 615 677 677 LEU LEU A . n A 1 616 ASP 616 678 678 ASP ASP A . n A 1 617 ASN 617 679 679 ASN ASN A . n A 1 618 THR 618 680 680 THR THR A . n A 1 619 LEU 619 681 681 LEU LEU A . n A 1 620 PHE 620 682 682 PHE PHE A . n A 1 621 LEU 621 683 683 LEU LEU A . n A 1 622 ASN 622 684 684 ASN ASN A . n A 1 623 GLY 623 685 685 GLY GLY A . n A 1 624 GLU 624 686 686 GLU GLU A . n A 1 625 LYS 625 687 687 LYS LYS A . n A 1 626 GLU 626 688 688 GLU GLU A . n A 1 627 TYR 627 689 689 TYR TYR A . n A 1 628 MET 628 690 690 MET MET A . n A 1 629 PRO 629 691 691 PRO PRO A . n A 1 630 TRP 630 692 692 TRP TRP A . n A 1 631 GLN 631 693 693 GLN GLN A . n A 1 632 ALA 632 694 694 ALA ALA A . n A 1 633 ALA 633 695 695 ALA ALA A . n A 1 634 LEU 634 696 696 LEU LEU A . n A 1 635 SER 635 697 697 SER SER A . n A 1 636 SER 636 698 698 SER SER A . n A 1 637 LEU 637 699 699 LEU LEU A . n A 1 638 SER 638 700 700 SER SER A . n A 1 639 TYR 639 701 701 TYR TYR A . n A 1 640 PHE 640 702 702 PHE PHE A . n A 1 641 SER 641 703 703 SER SER A . n A 1 642 LEU 642 704 704 LEU LEU A . n A 1 643 MET 643 705 705 MET MET A . n A 1 644 PHE 644 706 706 PHE PHE A . n A 1 645 ASP 645 707 707 ASP ASP A . n A 1 646 ARG 646 708 708 ARG ARG A . n A 1 647 SER 647 709 709 SER SER A . n A 1 648 GLU 648 710 710 GLU GLU A . n A 1 649 VAL 649 711 711 VAL VAL A . n A 1 650 TYR 650 712 712 TYR TYR A . n A 1 651 GLY 651 713 713 GLY GLY A . n A 1 652 PRO 652 714 714 PRO PRO A . n A 1 653 MET 653 715 715 MET MET A . n A 1 654 LYS 654 716 716 LYS LYS A . n A 1 655 LYS 655 717 717 LYS LYS A . n A 1 656 TYR 656 718 718 TYR TYR A . n A 1 657 LEU 657 719 719 LEU LEU A . n A 1 658 ARG 658 720 720 ARG ARG A . n A 1 659 LYS 659 721 721 LYS LYS A . n A 1 660 GLN 660 722 722 GLN GLN A . n A 1 661 VAL 661 723 723 VAL VAL A . n A 1 662 GLU 662 724 724 GLU GLU A . n A 1 663 PRO 663 725 725 PRO PRO A . n A 1 664 LEU 664 726 726 LEU LEU A . n A 1 665 PHE 665 727 727 PHE PHE A . n A 1 666 GLN 666 728 728 GLN GLN A . n A 1 667 HIS 667 729 729 HIS HIS A . n A 1 668 PHE 668 730 730 PHE PHE A . n A 1 669 GLU 669 731 731 GLU GLU A . n A 1 670 THR 670 732 732 THR THR A . n A 1 671 LEU 671 733 733 LEU LEU A . n A 1 672 THR 672 734 734 THR THR A . n A 1 673 LYS 673 735 735 LYS LYS A . n A 1 674 ASN 674 736 736 ASN ASN A . n A 1 675 TRP 675 737 737 TRP TRP A . n A 1 676 THR 676 738 738 THR THR A . n A 1 677 GLU 677 739 739 GLU GLU A . n A 1 678 ARG 678 740 740 ARG ARG A . n A 1 679 PRO 679 741 741 PRO PRO A . n A 1 680 GLU 680 742 742 GLU GLU A . n A 1 681 ASN 681 743 743 ASN ASN A . n A 1 682 LEU 682 744 744 LEU LEU A . n A 1 683 MET 683 745 745 MET MET A . n A 1 684 ASP 684 746 746 ASP ASP A . n A 1 685 GLN 685 747 747 GLN GLN A . n A 1 686 TYR 686 748 748 TYR TYR A . n A 1 687 SER 687 749 749 SER SER A . n A 1 688 GLU 688 750 750 GLU GLU A . n A 1 689 ILE 689 751 751 ILE ILE A . n A 1 690 ASN 690 752 752 ASN ASN A . n A 1 691 ALA 691 753 753 ALA ALA A . n A 1 692 ILE 692 754 754 ILE ILE A . n A 1 693 SER 693 755 755 SER SER A . n A 1 694 THR 694 756 756 THR THR A . n A 1 695 ALA 695 757 757 ALA ALA A . n A 1 696 CYS 696 758 758 CYS CYS A . n A 1 697 SER 697 759 759 SER SER A . n A 1 698 ASN 698 760 760 ASN ASN A . n A 1 699 GLY 699 761 761 GLY GLY A . n A 1 700 LEU 700 762 762 LEU LEU A . n A 1 701 PRO 701 763 763 PRO PRO A . n A 1 702 GLN 702 764 764 GLN GLN A . n A 1 703 CYS 703 765 765 CYS CYS A . n A 1 704 GLU 704 766 766 GLU GLU A . n A 1 705 ASN 705 767 767 ASN ASN A . n A 1 706 LEU 706 768 768 LEU LEU A . n A 1 707 ALA 707 769 769 ALA ALA A . n A 1 708 LYS 708 770 770 LYS LYS A . n A 1 709 THR 709 771 771 THR THR A . n A 1 710 LEU 710 772 772 LEU LEU A . n A 1 711 PHE 711 773 773 PHE PHE A . n A 1 712 ASP 712 774 774 ASP ASP A . n A 1 713 GLN 713 775 775 GLN GLN A . n A 1 714 TRP 714 776 776 TRP TRP A . n A 1 715 MET 715 777 777 MET MET A . n A 1 716 SER 716 778 778 SER SER A . n A 1 717 ASP 717 779 779 ASP ASP A . n A 1 718 PRO 718 780 780 PRO PRO A . n A 1 719 GLU 719 781 781 GLU GLU A . n A 1 720 ASN 720 782 782 ASN ASN A . n A 1 721 ASN 721 783 783 ASN ASN A . n A 1 722 PRO 722 784 784 PRO PRO A . n A 1 723 ILE 723 785 785 ILE ILE A . n A 1 724 HIS 724 786 786 HIS HIS A . n A 1 725 PRO 725 787 787 PRO PRO A . n A 1 726 ASN 726 788 788 ASN ASN A . n A 1 727 LEU 727 789 789 LEU LEU A . n A 1 728 ARG 728 790 790 ARG ARG A . n A 1 729 SER 729 791 791 SER SER A . n A 1 730 THR 730 792 792 THR THR A . n A 1 731 ILE 731 793 793 ILE ILE A . n A 1 732 TYR 732 794 794 TYR TYR A . n A 1 733 CYS 733 795 795 CYS CYS A . n A 1 734 ASN 734 796 796 ASN ASN A . n A 1 735 ALA 735 797 797 ALA ALA A . n A 1 736 ILE 736 798 798 ILE ILE A . n A 1 737 ALA 737 799 799 ALA ALA A . n A 1 738 GLN 738 800 800 GLN GLN A . n A 1 739 GLY 739 801 801 GLY GLY A . n A 1 740 GLY 740 802 802 GLY GLY A . n A 1 741 GLN 741 803 803 GLN GLN A . n A 1 742 ASP 742 804 804 ASP ASP A . n A 1 743 GLN 743 805 805 GLN GLN A . n A 1 744 TRP 744 806 806 TRP TRP A . n A 1 745 ASP 745 807 807 ASP ASP A . n A 1 746 PHE 746 808 808 PHE PHE A . n A 1 747 ALA 747 809 809 ALA ALA A . n A 1 748 TRP 748 810 810 TRP TRP A . n A 1 749 GLY 749 811 811 GLY GLY A . n A 1 750 GLN 750 812 812 GLN GLN A . n A 1 751 LEU 751 813 813 LEU LEU A . n A 1 752 GLN 752 814 814 GLN GLN A . n A 1 753 GLN 753 815 815 GLN GLN A . n A 1 754 ALA 754 816 816 ALA ALA A . n A 1 755 GLN 755 817 817 GLN GLN A . n A 1 756 LEU 756 818 818 LEU LEU A . n A 1 757 VAL 757 819 819 VAL VAL A . n A 1 758 ASN 758 820 820 ASN ASN A . n A 1 759 GLU 759 821 821 GLU GLU A . n A 1 760 ALA 760 822 822 ALA ALA A . n A 1 761 ASP 761 823 823 ASP ASP A . n A 1 762 LYS 762 824 824 LYS LYS A . n A 1 763 LEU 763 825 825 LEU LEU A . n A 1 764 ARG 764 826 826 ARG ARG A . n A 1 765 SER 765 827 827 SER SER A . n A 1 766 ALA 766 828 828 ALA ALA A . n A 1 767 LEU 767 829 829 LEU LEU A . n A 1 768 ALA 768 830 830 ALA ALA A . n A 1 769 CYS 769 831 831 CYS CYS A . n A 1 770 SER 770 832 832 SER SER A . n A 1 771 ASN 771 833 833 ASN ASN A . n A 1 772 GLU 772 834 834 GLU GLU A . n A 1 773 VAL 773 835 835 VAL VAL A . n A 1 774 TRP 774 836 836 TRP TRP A . n A 1 775 LEU 775 837 837 LEU LEU A . n A 1 776 LEU 776 838 838 LEU LEU A . n A 1 777 ASN 777 839 839 ASN ASN A . n A 1 778 ARG 778 840 840 ARG ARG A . n A 1 779 TYR 779 841 841 TYR TYR A . n A 1 780 LEU 780 842 842 LEU LEU A . n A 1 781 GLY 781 843 843 GLY GLY A . n A 1 782 TYR 782 844 844 TYR TYR A . n A 1 783 THR 783 845 845 THR THR A . n A 1 784 LEU 784 846 846 LEU LEU A . n A 1 785 ASN 785 847 847 ASN ASN A . n A 1 786 PRO 786 848 848 PRO PRO A . n A 1 787 ASP 787 849 849 ASP ASP A . n A 1 788 LEU 788 850 850 LEU LEU A . n A 1 789 ILE 789 851 851 ILE ILE A . n A 1 790 ARG 790 852 852 ARG ARG A . n A 1 791 LYS 791 853 853 LYS LYS A . n A 1 792 GLN 792 854 854 GLN GLN A . n A 1 793 ASP 793 855 855 ASP ASP A . n A 1 794 ALA 794 856 856 ALA ALA A . n A 1 795 THR 795 857 857 THR THR A . n A 1 796 SER 796 858 858 SER SER A . n A 1 797 THR 797 859 859 THR THR A . n A 1 798 ILE 798 860 860 ILE ILE A . n A 1 799 ASN 799 861 861 ASN ASN A . n A 1 800 SER 800 862 862 SER SER A . n A 1 801 ILE 801 863 863 ILE ILE A . n A 1 802 ALA 802 864 864 ALA ALA A . n A 1 803 SER 803 865 865 SER SER A . n A 1 804 ASN 804 866 866 ASN ASN A . n A 1 805 VAL 805 867 867 VAL VAL A . n A 1 806 ILE 806 868 868 ILE ILE A . n A 1 807 GLY 807 869 869 GLY GLY A . n A 1 808 GLN 808 870 870 GLN GLN A . n A 1 809 PRO 809 871 871 PRO PRO A . n A 1 810 LEU 810 872 872 LEU LEU A . n A 1 811 ALA 811 873 873 ALA ALA A . n A 1 812 TRP 812 874 874 TRP TRP A . n A 1 813 ASP 813 875 875 ASP ASP A . n A 1 814 PHE 814 876 876 PHE PHE A . n A 1 815 VAL 815 877 877 VAL VAL A . n A 1 816 GLN 816 878 878 GLN GLN A . n A 1 817 SER 817 879 879 SER SER A . n A 1 818 ASN 818 880 880 ASN ASN A . n A 1 819 TRP 819 881 881 TRP TRP A . n A 1 820 LYS 820 882 882 LYS LYS A . n A 1 821 LYS 821 883 883 LYS LYS A . n A 1 822 LEU 822 884 884 LEU LEU A . n A 1 823 PHE 823 885 885 PHE PHE A . n A 1 824 GLN 824 886 886 GLN GLN A . n A 1 825 ASP 825 887 887 ASP ASP A . n A 1 826 TYR 826 888 888 TYR TYR A . n A 1 827 GLY 827 889 889 GLY GLY A . n A 1 828 GLY 828 890 890 GLY GLY A . n A 1 829 GLY 829 891 891 GLY GLY A . n A 1 830 SER 830 892 892 SER SER A . n A 1 831 PHE 831 893 893 PHE PHE A . n A 1 832 SER 832 894 894 SER SER A . n A 1 833 PHE 833 895 895 PHE PHE A . n A 1 834 SER 834 896 896 SER SER A . n A 1 835 ASN 835 897 897 ASN ASN A . n A 1 836 LEU 836 898 898 LEU LEU A . n A 1 837 ILE 837 899 899 ILE ILE A . n A 1 838 GLN 838 900 900 GLN GLN A . n A 1 839 GLY 839 901 901 GLY GLY A . n A 1 840 VAL 840 902 902 VAL VAL A . n A 1 841 THR 841 903 903 THR THR A . n A 1 842 ARG 842 904 904 ARG ARG A . n A 1 843 ARG 843 905 905 ARG ARG A . n A 1 844 PHE 844 906 906 PHE PHE A . n A 1 845 SER 845 907 907 SER SER A . n A 1 846 SER 846 908 908 SER SER A . n A 1 847 GLU 847 909 909 GLU GLU A . n A 1 848 PHE 848 910 910 PHE PHE A . n A 1 849 GLU 849 911 911 GLU GLU A . n A 1 850 LEU 850 912 912 LEU LEU A . n A 1 851 GLN 851 913 913 GLN GLN A . n A 1 852 GLN 852 914 914 GLN GLN A . n A 1 853 LEU 853 915 915 LEU LEU A . n A 1 854 GLU 854 916 916 GLU GLU A . n A 1 855 GLN 855 917 917 GLN GLN A . n A 1 856 PHE 856 918 918 PHE PHE A . n A 1 857 LYS 857 919 919 LYS LYS A . n A 1 858 LYS 858 920 920 LYS LYS A . n A 1 859 ASN 859 921 921 ASN ASN A . n A 1 860 ASN 860 922 922 ASN ASN A . n A 1 861 MET 861 923 923 MET MET A . n A 1 862 ASP 862 924 924 ASP ASP A . n A 1 863 VAL 863 925 925 VAL VAL A . n A 1 864 GLY 864 926 926 GLY GLY A . n A 1 865 PHE 865 927 927 PHE PHE A . n A 1 866 GLY 866 928 928 GLY GLY A . n A 1 867 SER 867 929 929 SER SER A . n A 1 868 GLY 868 930 930 GLY GLY A . n A 1 869 THR 869 931 931 THR THR A . n A 1 870 ARG 870 932 932 ARG ARG A . n A 1 871 ALA 871 933 933 ALA ALA A . n A 1 872 LEU 872 934 934 LEU LEU A . n A 1 873 GLU 873 935 935 GLU GLU A . n A 1 874 GLN 874 936 936 GLN GLN A . n A 1 875 ALA 875 937 937 ALA ALA A . n A 1 876 LEU 876 938 938 LEU LEU A . n A 1 877 GLU 877 939 939 GLU GLU A . n A 1 878 LYS 878 940 940 LYS LYS A . n A 1 879 THR 879 941 941 THR THR A . n A 1 880 LYS 880 942 942 LYS LYS A . n A 1 881 ALA 881 943 943 ALA ALA A . n A 1 882 ASN 882 944 944 ASN ASN A . n A 1 883 ILE 883 945 945 ILE ILE A . n A 1 884 LYS 884 946 946 LYS LYS A . n A 1 885 TRP 885 947 947 TRP TRP A . n A 1 886 VAL 886 948 948 VAL VAL A . n A 1 887 LYS 887 949 949 LYS LYS A . n A 1 888 GLU 888 950 950 GLU GLU A . n A 1 889 ASN 889 951 951 ASN ASN A . n A 1 890 LYS 890 952 952 LYS LYS A . n A 1 891 GLU 891 953 953 GLU GLU A . n A 1 892 VAL 892 954 954 VAL VAL A . n A 1 893 VAL 893 955 955 VAL VAL A . n A 1 894 LEU 894 956 956 LEU LEU A . n A 1 895 ASN 895 957 957 ASN ASN A . n A 1 896 TRP 896 958 958 TRP TRP A . n A 1 897 PHE 897 959 959 PHE PHE A . n A 1 898 ILE 898 960 960 ILE ILE A . n A 1 899 GLU 899 961 961 GLU GLU A . n A 1 900 HIS 900 962 962 HIS HIS A . n A 1 901 SER 901 963 963 SER SER A . n A 1 902 SER 902 964 964 SER SER A . n A 1 903 HIS 903 965 ? ? ? A . n A 1 904 HIS 904 966 ? ? ? A . n A 1 905 HIS 905 967 ? ? ? A . n A 1 906 HIS 906 968 ? ? ? A . n A 1 907 HIS 907 969 ? ? ? A . n A 1 908 HIS 908 970 ? ? ? A . n B 2 1 CYS 1 1 1 CYS CYS B . n B 2 2 ASN 2 2 2 ASN ASN B . n B 2 3 GLY 3 3 3 GLY GLY B . n B 2 4 ARG 4 4 4 ARG ARG B . n B 2 5 CYS 5 5 5 CYS CYS B . n B 2 6 GLY 6 6 6 GLY GLY B . 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 C 3 ZN 1 1001 1 ZN ZN A . D 4 NAG 1 1002 1001 NAG NAG A . E 4 NAG 2 1003 1002 NAG NAG A . F 4 NAG 1 1004 1004 NAG NAG A . G 4 NAG 2 1005 1005 NAG NAG A . H 4 NAG 1 1006 1007 NAG NAG A . I 4 NAG 2 1007 1008 NAG NAG A . J 4 NAG 1 1008 1009 NAG NAG A . K 4 NAG 2 1009 1010 NAG NAG A . L 4 NAG 1 1010 1011 NAG NAG A . M 4 NAG 2 1011 1012 NAG NAG A . N 4 NAG 1 1012 1014 NAG NAG A . O 4 NAG 2 1013 1015 NAG NAG A . P 4 NAG 1 1014 1016 NAG NAG A . Q 4 NAG 2 1015 1017 NAG NAG A . R 4 NAG 1 1016 1018 NAG NAG A . S 4 NAG 1 1017 1021 NAG NAG A . T 4 NAG 2 1018 1022 NAG NAG A . U 4 NAG 1 1019 1023 NAG NAG A . V 5 SO4 1 1020 1024 SO4 SO4 A . W 5 SO4 1 1021 1025 SO4 SO4 A . X 5 SO4 1 1022 1026 SO4 SO4 A . Y 5 SO4 1 1023 1027 SO4 SO4 A . Z 5 SO4 1 1024 1028 SO4 SO4 A . AA 5 SO4 1 1025 1029 SO4 SO4 A . BA 5 SO4 1 1026 1030 SO4 SO4 A . CA 5 SO4 1 1027 1032 SO4 SO4 A . DA 5 SO4 1 1028 1033 SO4 SO4 A . EA 5 SO4 1 1029 1034 SO4 SO4 A . FA 6 HOH 1 1101 1101 HOH HOH A . FA 6 HOH 2 1102 1102 HOH HOH A . FA 6 HOH 3 1103 1103 HOH HOH A . FA 6 HOH 4 1104 1104 HOH HOH A . FA 6 HOH 5 1105 1105 HOH HOH A . FA 6 HOH 6 1106 1106 HOH HOH A . FA 6 HOH 7 1107 1107 HOH HOH A . FA 6 HOH 8 1108 1108 HOH HOH A . FA 6 HOH 9 1109 1109 HOH HOH A . FA 6 HOH 10 1110 1110 HOH HOH A . FA 6 HOH 11 1111 1111 HOH HOH A . FA 6 HOH 12 1112 1112 HOH HOH A . FA 6 HOH 13 1113 1113 HOH HOH A . FA 6 HOH 14 1114 1114 HOH HOH A . FA 6 HOH 15 1115 1115 HOH HOH A . FA 6 HOH 16 1116 1116 HOH HOH A . FA 6 HOH 17 1117 1117 HOH HOH A . FA 6 HOH 18 1118 1118 HOH HOH A . FA 6 HOH 19 1119 1119 HOH HOH A . FA 6 HOH 20 1120 1120 HOH HOH A . FA 6 HOH 21 1121 1121 HOH HOH A . FA 6 HOH 22 1122 1122 HOH HOH A . FA 6 HOH 23 1123 1123 HOH HOH A . FA 6 HOH 24 1124 1124 HOH HOH A . FA 6 HOH 25 1125 1125 HOH HOH A . FA 6 HOH 26 1126 1126 HOH HOH A . FA 6 HOH 27 1127 1127 HOH HOH A . FA 6 HOH 28 1128 1128 HOH HOH A . FA 6 HOH 29 1129 1129 HOH HOH A . FA 6 HOH 30 1130 1130 HOH HOH A . FA 6 HOH 31 1131 1131 HOH HOH A . FA 6 HOH 32 1132 1132 HOH HOH A . FA 6 HOH 33 1133 1133 HOH HOH A . FA 6 HOH 34 1134 1134 HOH HOH A . FA 6 HOH 35 1135 1135 HOH HOH A . FA 6 HOH 36 1136 1136 HOH HOH A . FA 6 HOH 37 1137 1137 HOH HOH A . FA 6 HOH 38 1138 1138 HOH HOH A . FA 6 HOH 39 1139 1139 HOH HOH A . FA 6 HOH 40 1140 1140 HOH HOH A . FA 6 HOH 41 1141 1141 HOH HOH A . FA 6 HOH 42 1142 1142 HOH HOH A . FA 6 HOH 43 1143 1143 HOH HOH A . FA 6 HOH 44 1144 1144 HOH HOH A . FA 6 HOH 45 1145 1145 HOH HOH A . FA 6 HOH 46 1146 1146 HOH HOH A . FA 6 HOH 47 1147 1147 HOH HOH A . FA 6 HOH 48 1148 1149 HOH HOH A . FA 6 HOH 49 1149 1150 HOH HOH A . FA 6 HOH 50 1150 1151 HOH HOH A . FA 6 HOH 51 1151 1152 HOH HOH A . FA 6 HOH 52 1152 1153 HOH HOH A . FA 6 HOH 53 1153 1154 HOH HOH A . FA 6 HOH 54 1154 1155 HOH HOH A . FA 6 HOH 55 1155 1156 HOH HOH A . FA 6 HOH 56 1156 1157 HOH HOH A . FA 6 HOH 57 1157 1158 HOH HOH A . FA 6 HOH 58 1158 1159 HOH HOH A . FA 6 HOH 59 1159 1160 HOH HOH A . FA 6 HOH 60 1160 1161 HOH HOH A . FA 6 HOH 61 1161 1162 HOH HOH A . FA 6 HOH 62 1162 1163 HOH HOH A . FA 6 HOH 63 1163 1164 HOH HOH A . FA 6 HOH 64 1164 1165 HOH HOH A . FA 6 HOH 65 1165 1166 HOH HOH A . FA 6 HOH 66 1166 1167 HOH HOH A . FA 6 HOH 67 1167 1168 HOH HOH A . FA 6 HOH 68 1168 1169 HOH HOH A . FA 6 HOH 69 1169 1170 HOH HOH A . FA 6 HOH 70 1170 1171 HOH HOH A . FA 6 HOH 71 1171 1172 HOH HOH A . FA 6 HOH 72 1172 1173 HOH HOH A . FA 6 HOH 73 1173 1174 HOH HOH A . FA 6 HOH 74 1174 1175 HOH HOH A . FA 6 HOH 75 1175 1176 HOH HOH A . FA 6 HOH 76 1176 1177 HOH HOH A . FA 6 HOH 77 1177 1178 HOH HOH A . FA 6 HOH 78 1178 1179 HOH HOH A . FA 6 HOH 79 1179 1180 HOH HOH A . FA 6 HOH 80 1180 1181 HOH HOH A . FA 6 HOH 81 1181 1182 HOH HOH A . FA 6 HOH 82 1182 1183 HOH HOH A . FA 6 HOH 83 1183 1184 HOH HOH A . FA 6 HOH 84 1184 1185 HOH HOH A . FA 6 HOH 85 1185 1186 HOH HOH A . FA 6 HOH 86 1186 1187 HOH HOH A . FA 6 HOH 87 1187 1188 HOH HOH A . FA 6 HOH 88 1188 1189 HOH HOH A . FA 6 HOH 89 1189 1190 HOH HOH A . FA 6 HOH 90 1190 1191 HOH HOH A . FA 6 HOH 91 1191 1192 HOH HOH A . FA 6 HOH 92 1192 1193 HOH HOH A . FA 6 HOH 93 1193 1194 HOH HOH A . FA 6 HOH 94 1194 1195 HOH HOH A . FA 6 HOH 95 1195 1196 HOH HOH A . FA 6 HOH 96 1196 1197 HOH HOH A . FA 6 HOH 97 1197 1198 HOH HOH A . FA 6 HOH 98 1198 1199 HOH HOH A . FA 6 HOH 99 1199 1200 HOH HOH A . FA 6 HOH 100 1200 1201 HOH HOH A . FA 6 HOH 101 1201 1202 HOH HOH A . FA 6 HOH 102 1202 1203 HOH HOH A . FA 6 HOH 103 1203 1204 HOH HOH A . FA 6 HOH 104 1204 1205 HOH HOH A . FA 6 HOH 105 1205 1206 HOH HOH A . FA 6 HOH 106 1206 1207 HOH HOH A . FA 6 HOH 107 1207 1208 HOH HOH A . FA 6 HOH 108 1208 1209 HOH HOH A . FA 6 HOH 109 1209 1210 HOH HOH A . FA 6 HOH 110 1210 1211 HOH HOH A . FA 6 HOH 111 1211 1212 HOH HOH A . FA 6 HOH 112 1212 1213 HOH HOH A . FA 6 HOH 113 1213 1214 HOH HOH A . FA 6 HOH 114 1214 1215 HOH HOH A . FA 6 HOH 115 1215 1216 HOH HOH A . FA 6 HOH 116 1216 1217 HOH HOH A . FA 6 HOH 117 1217 1218 HOH HOH A . FA 6 HOH 118 1218 1219 HOH HOH A . FA 6 HOH 119 1219 1220 HOH HOH A . FA 6 HOH 120 1220 1221 HOH HOH A . FA 6 HOH 121 1221 1222 HOH HOH A . FA 6 HOH 122 1222 1223 HOH HOH A . FA 6 HOH 123 1223 1224 HOH HOH A . FA 6 HOH 124 1224 1225 HOH HOH A . FA 6 HOH 125 1225 1226 HOH HOH A . FA 6 HOH 126 1226 1227 HOH HOH A . FA 6 HOH 127 1227 1228 HOH HOH A . FA 6 HOH 128 1228 1229 HOH HOH A . FA 6 HOH 129 1229 1230 HOH HOH A . FA 6 HOH 130 1230 1231 HOH HOH A . FA 6 HOH 131 1231 1232 HOH HOH A . FA 6 HOH 132 1232 1233 HOH HOH A . FA 6 HOH 133 1233 1234 HOH HOH A . FA 6 HOH 134 1234 1235 HOH HOH A . FA 6 HOH 135 1235 1236 HOH HOH A . FA 6 HOH 136 1236 1237 HOH HOH A . FA 6 HOH 137 1237 1238 HOH HOH A . FA 6 HOH 138 1238 1239 HOH HOH A . FA 6 HOH 139 1239 1240 HOH HOH A . FA 6 HOH 140 1240 1241 HOH HOH A . FA 6 HOH 141 1241 1242 HOH HOH A . FA 6 HOH 142 1242 1243 HOH HOH A . FA 6 HOH 143 1243 1244 HOH HOH A . FA 6 HOH 144 1244 1245 HOH HOH A . FA 6 HOH 145 1245 1246 HOH HOH A . FA 6 HOH 146 1246 1247 HOH HOH A . FA 6 HOH 147 1247 1248 HOH HOH A . FA 6 HOH 148 1248 1249 HOH HOH A . FA 6 HOH 149 1249 1250 HOH HOH A . FA 6 HOH 150 1250 1251 HOH HOH A . FA 6 HOH 151 1251 1252 HOH HOH A . FA 6 HOH 152 1252 1253 HOH HOH A . FA 6 HOH 153 1253 1254 HOH HOH A . FA 6 HOH 154 1254 1255 HOH HOH A . FA 6 HOH 155 1255 1256 HOH HOH A . FA 6 HOH 156 1256 1257 HOH HOH A . FA 6 HOH 157 1257 1258 HOH HOH A . FA 6 HOH 158 1258 1259 HOH HOH A . FA 6 HOH 159 1259 1260 HOH HOH A . FA 6 HOH 160 1260 1261 HOH HOH A . FA 6 HOH 161 1261 1262 HOH HOH A . FA 6 HOH 162 1262 1263 HOH HOH A . FA 6 HOH 163 1263 1264 HOH HOH A . FA 6 HOH 164 1264 1265 HOH HOH A . FA 6 HOH 165 1265 1266 HOH HOH A . FA 6 HOH 166 1266 1267 HOH HOH A . FA 6 HOH 167 1267 1268 HOH HOH A . FA 6 HOH 168 1268 1269 HOH HOH A . FA 6 HOH 169 1269 1270 HOH HOH A . FA 6 HOH 170 1270 1271 HOH HOH A . FA 6 HOH 171 1271 1272 HOH HOH A . FA 6 HOH 172 1272 1273 HOH HOH A . FA 6 HOH 173 1273 1274 HOH HOH A . FA 6 HOH 174 1274 1275 HOH HOH A . FA 6 HOH 175 1275 1276 HOH HOH A . FA 6 HOH 176 1276 1277 HOH HOH A . FA 6 HOH 177 1277 1278 HOH HOH A . FA 6 HOH 178 1278 1279 HOH HOH A . FA 6 HOH 179 1279 1280 HOH HOH A . FA 6 HOH 180 1280 1281 HOH HOH A . FA 6 HOH 181 1281 1282 HOH HOH A . FA 6 HOH 182 1282 1283 HOH HOH A . FA 6 HOH 183 1283 1284 HOH HOH A . FA 6 HOH 184 1284 1285 HOH HOH A . FA 6 HOH 185 1285 1286 HOH HOH A . FA 6 HOH 186 1286 1287 HOH HOH A . FA 6 HOH 187 1287 1288 HOH HOH A . FA 6 HOH 188 1288 1289 HOH HOH A . FA 6 HOH 189 1289 1290 HOH HOH A . FA 6 HOH 190 1290 1291 HOH HOH A . FA 6 HOH 191 1291 1292 HOH HOH A . FA 6 HOH 192 1292 1293 HOH HOH A . FA 6 HOH 193 1293 1294 HOH HOH A . FA 6 HOH 194 1294 1296 HOH HOH A . FA 6 HOH 195 1295 1297 HOH HOH A . FA 6 HOH 196 1296 1298 HOH HOH A . FA 6 HOH 197 1297 1299 HOH HOH A . FA 6 HOH 198 1298 1300 HOH HOH A . FA 6 HOH 199 1299 1301 HOH HOH A . FA 6 HOH 200 1300 1302 HOH HOH A . FA 6 HOH 201 1301 1303 HOH HOH A . FA 6 HOH 202 1302 1304 HOH HOH A . FA 6 HOH 203 1303 1306 HOH HOH A . FA 6 HOH 204 1304 1307 HOH HOH A . FA 6 HOH 205 1305 1308 HOH HOH A . FA 6 HOH 206 1306 1309 HOH HOH A . FA 6 HOH 207 1307 1310 HOH HOH A . FA 6 HOH 208 1308 1311 HOH HOH A . FA 6 HOH 209 1309 1312 HOH HOH A . FA 6 HOH 210 1310 1313 HOH HOH A . FA 6 HOH 211 1311 1314 HOH HOH A . FA 6 HOH 212 1312 1315 HOH HOH A . FA 6 HOH 213 1313 1316 HOH HOH A . FA 6 HOH 214 1314 1317 HOH HOH A . FA 6 HOH 215 1315 1318 HOH HOH A . FA 6 HOH 216 1316 1319 HOH HOH A . FA 6 HOH 217 1317 1320 HOH HOH A . FA 6 HOH 218 1318 1321 HOH HOH A . FA 6 HOH 219 1319 1322 HOH HOH A . FA 6 HOH 220 1320 1323 HOH HOH A . FA 6 HOH 221 1321 1324 HOH HOH A . FA 6 HOH 222 1322 1325 HOH HOH A . FA 6 HOH 223 1323 1326 HOH HOH A . FA 6 HOH 224 1324 1327 HOH HOH A . FA 6 HOH 225 1325 1328 HOH HOH A . FA 6 HOH 226 1326 1329 HOH HOH A . FA 6 HOH 227 1327 1330 HOH HOH A . FA 6 HOH 228 1328 1331 HOH HOH A . FA 6 HOH 229 1329 1332 HOH HOH A . FA 6 HOH 230 1330 1333 HOH HOH A . FA 6 HOH 231 1331 1334 HOH HOH A . FA 6 HOH 232 1332 1335 HOH HOH A . FA 6 HOH 233 1333 1336 HOH HOH A . FA 6 HOH 234 1334 1337 HOH HOH A . FA 6 HOH 235 1335 1338 HOH HOH A . FA 6 HOH 236 1336 1339 HOH HOH A . FA 6 HOH 237 1337 1340 HOH HOH A . FA 6 HOH 238 1338 1341 HOH HOH A . FA 6 HOH 239 1339 1342 HOH HOH A . FA 6 HOH 240 1340 1343 HOH HOH A . FA 6 HOH 241 1341 1344 HOH HOH A . FA 6 HOH 242 1342 1345 HOH HOH A . FA 6 HOH 243 1343 1346 HOH HOH A . FA 6 HOH 244 1344 1347 HOH HOH A . FA 6 HOH 245 1345 1348 HOH HOH A . FA 6 HOH 246 1346 1349 HOH HOH A . FA 6 HOH 247 1347 1350 HOH HOH A . FA 6 HOH 248 1348 1351 HOH HOH A . FA 6 HOH 249 1349 1352 HOH HOH A . FA 6 HOH 250 1350 1353 HOH HOH A . FA 6 HOH 251 1351 1354 HOH HOH A . FA 6 HOH 252 1352 1355 HOH HOH A . FA 6 HOH 253 1353 1356 HOH HOH A . FA 6 HOH 254 1354 1357 HOH HOH A . FA 6 HOH 255 1355 1358 HOH HOH A . FA 6 HOH 256 1356 1359 HOH HOH A . FA 6 HOH 257 1357 1360 HOH HOH A . FA 6 HOH 258 1358 1361 HOH HOH A . FA 6 HOH 259 1359 1362 HOH HOH A . FA 6 HOH 260 1360 1363 HOH HOH A . FA 6 HOH 261 1361 1364 HOH HOH A . FA 6 HOH 262 1362 1365 HOH HOH A . FA 6 HOH 263 1363 1366 HOH HOH A . FA 6 HOH 264 1364 1367 HOH HOH A . FA 6 HOH 265 1365 1368 HOH HOH A . FA 6 HOH 266 1366 1369 HOH HOH A . FA 6 HOH 267 1367 1370 HOH HOH A . FA 6 HOH 268 1368 1371 HOH HOH A . FA 6 HOH 269 1369 1372 HOH HOH A . FA 6 HOH 270 1370 1373 HOH HOH A . FA 6 HOH 271 1371 1374 HOH HOH A . FA 6 HOH 272 1372 1375 HOH HOH A . FA 6 HOH 273 1373 1376 HOH HOH A . FA 6 HOH 274 1374 1377 HOH HOH A . FA 6 HOH 275 1375 1378 HOH HOH A . FA 6 HOH 276 1376 1379 HOH HOH A . FA 6 HOH 277 1377 1380 HOH HOH A . FA 6 HOH 278 1378 1381 HOH HOH A . FA 6 HOH 279 1379 1382 HOH HOH A . FA 6 HOH 280 1380 1383 HOH HOH A . FA 6 HOH 281 1381 1384 HOH HOH A . FA 6 HOH 282 1382 1385 HOH HOH A . FA 6 HOH 283 1383 1386 HOH HOH A . FA 6 HOH 284 1384 1387 HOH HOH A . FA 6 HOH 285 1385 1388 HOH HOH A . FA 6 HOH 286 1386 1389 HOH HOH A . FA 6 HOH 287 1387 1390 HOH HOH A . FA 6 HOH 288 1388 1391 HOH HOH A . FA 6 HOH 289 1389 1392 HOH HOH A . FA 6 HOH 290 1390 1394 HOH HOH A . FA 6 HOH 291 1391 1395 HOH HOH A . FA 6 HOH 292 1392 1396 HOH HOH A . FA 6 HOH 293 1393 1397 HOH HOH A . FA 6 HOH 294 1394 1398 HOH HOH A . FA 6 HOH 295 1395 1399 HOH HOH A . FA 6 HOH 296 1396 1400 HOH HOH A . FA 6 HOH 297 1397 1401 HOH HOH A . FA 6 HOH 298 1398 1402 HOH HOH A . FA 6 HOH 299 1399 1403 HOH HOH A . FA 6 HOH 300 1400 1404 HOH HOH A . FA 6 HOH 301 1401 1405 HOH HOH A . FA 6 HOH 302 1402 1406 HOH HOH A . FA 6 HOH 303 1403 1407 HOH HOH A . FA 6 HOH 304 1404 1408 HOH HOH A . FA 6 HOH 305 1405 1409 HOH HOH A . FA 6 HOH 306 1406 1411 HOH HOH A . FA 6 HOH 307 1407 1412 HOH HOH A . FA 6 HOH 308 1408 1413 HOH HOH A . FA 6 HOH 309 1409 1414 HOH HOH A . FA 6 HOH 310 1410 1415 HOH HOH A . FA 6 HOH 311 1411 1416 HOH HOH A . FA 6 HOH 312 1412 1417 HOH HOH A . FA 6 HOH 313 1413 1418 HOH HOH A . FA 6 HOH 314 1414 1419 HOH HOH A . FA 6 HOH 315 1415 1420 HOH HOH A . FA 6 HOH 316 1416 1421 HOH HOH A . FA 6 HOH 317 1417 1422 HOH HOH A . FA 6 HOH 318 1418 1423 HOH HOH A . FA 6 HOH 319 1419 1424 HOH HOH A . FA 6 HOH 320 1420 1425 HOH HOH A . FA 6 HOH 321 1421 1426 HOH HOH A . FA 6 HOH 322 1422 1427 HOH HOH A . FA 6 HOH 323 1423 1428 HOH HOH A . FA 6 HOH 324 1424 1429 HOH HOH A . FA 6 HOH 325 1425 1430 HOH HOH A . FA 6 HOH 326 1426 1431 HOH HOH A . FA 6 HOH 327 1427 1432 HOH HOH A . FA 6 HOH 328 1428 1433 HOH HOH A . FA 6 HOH 329 1429 1434 HOH HOH A . FA 6 HOH 330 1430 1435 HOH HOH A . FA 6 HOH 331 1431 1436 HOH HOH A . FA 6 HOH 332 1432 1438 HOH HOH A . FA 6 HOH 333 1433 1439 HOH HOH A . FA 6 HOH 334 1434 1440 HOH HOH A . FA 6 HOH 335 1435 1441 HOH HOH A . FA 6 HOH 336 1436 1442 HOH HOH A . FA 6 HOH 337 1437 1443 HOH HOH A . FA 6 HOH 338 1438 1444 HOH HOH A . FA 6 HOH 339 1439 1445 HOH HOH A . FA 6 HOH 340 1440 1446 HOH HOH A . FA 6 HOH 341 1441 1447 HOH HOH A . FA 6 HOH 342 1442 1448 HOH HOH A . FA 6 HOH 343 1443 1449 HOH HOH A . FA 6 HOH 344 1444 1450 HOH HOH A . FA 6 HOH 345 1445 1451 HOH HOH A . FA 6 HOH 346 1446 1452 HOH HOH A . FA 6 HOH 347 1447 1453 HOH HOH A . FA 6 HOH 348 1448 1454 HOH HOH A . FA 6 HOH 349 1449 1455 HOH HOH A . FA 6 HOH 350 1450 1456 HOH HOH A . FA 6 HOH 351 1451 1457 HOH HOH A . FA 6 HOH 352 1452 1458 HOH HOH A . FA 6 HOH 353 1453 1459 HOH HOH A . FA 6 HOH 354 1454 1460 HOH HOH A . FA 6 HOH 355 1455 1461 HOH HOH A . FA 6 HOH 356 1456 1462 HOH HOH A . FA 6 HOH 357 1457 1464 HOH HOH A . FA 6 HOH 358 1458 1465 HOH HOH A . FA 6 HOH 359 1459 1466 HOH HOH A . FA 6 HOH 360 1460 1467 HOH HOH A . FA 6 HOH 361 1461 1468 HOH HOH A . FA 6 HOH 362 1462 1469 HOH HOH A . FA 6 HOH 363 1463 1470 HOH HOH A . FA 6 HOH 364 1464 1471 HOH HOH A . FA 6 HOH 365 1465 1472 HOH HOH A . FA 6 HOH 366 1466 1473 HOH HOH A . FA 6 HOH 367 1467 1474 HOH HOH A . FA 6 HOH 368 1468 1475 HOH HOH A . FA 6 HOH 369 1469 1476 HOH HOH A . FA 6 HOH 370 1470 1477 HOH HOH A . FA 6 HOH 371 1471 1478 HOH HOH A . FA 6 HOH 372 1472 1479 HOH HOH A . FA 6 HOH 373 1473 1480 HOH HOH A . FA 6 HOH 374 1474 1482 HOH HOH A . FA 6 HOH 375 1475 1483 HOH HOH A . FA 6 HOH 376 1476 1484 HOH HOH A . FA 6 HOH 377 1477 1485 HOH HOH A . FA 6 HOH 378 1478 1486 HOH HOH A . FA 6 HOH 379 1479 1487 HOH HOH A . FA 6 HOH 380 1480 1488 HOH HOH A . FA 6 HOH 381 1481 1489 HOH HOH A . FA 6 HOH 382 1482 1490 HOH HOH A . FA 6 HOH 383 1483 1491 HOH HOH A . FA 6 HOH 384 1484 1492 HOH HOH A . FA 6 HOH 385 1485 1493 HOH HOH A . FA 6 HOH 386 1486 1494 HOH HOH A . FA 6 HOH 387 1487 1495 HOH HOH A . FA 6 HOH 388 1488 1496 HOH HOH A . FA 6 HOH 389 1489 1497 HOH HOH A . FA 6 HOH 390 1490 1498 HOH HOH A . FA 6 HOH 391 1491 1499 HOH HOH A . FA 6 HOH 392 1492 1500 HOH HOH A . FA 6 HOH 393 1493 1501 HOH HOH A . FA 6 HOH 394 1494 1502 HOH HOH A . FA 6 HOH 395 1495 1503 HOH HOH A . FA 6 HOH 396 1496 1504 HOH HOH A . FA 6 HOH 397 1497 1505 HOH HOH A . FA 6 HOH 398 1498 1506 HOH HOH A . FA 6 HOH 399 1499 1507 HOH HOH A . FA 6 HOH 400 1500 1508 HOH HOH A . FA 6 HOH 401 1501 1509 HOH HOH A . FA 6 HOH 402 1502 1510 HOH HOH A . FA 6 HOH 403 1503 1511 HOH HOH A . FA 6 HOH 404 1504 1512 HOH HOH A . FA 6 HOH 405 1505 1513 HOH HOH A . FA 6 HOH 406 1506 1514 HOH HOH A . FA 6 HOH 407 1507 1515 HOH HOH A . FA 6 HOH 408 1508 1516 HOH HOH A . FA 6 HOH 409 1509 1518 HOH HOH A . FA 6 HOH 410 1510 1519 HOH HOH A . FA 6 HOH 411 1511 1520 HOH HOH A . FA 6 HOH 412 1512 1521 HOH HOH A . FA 6 HOH 413 1513 1522 HOH HOH A . FA 6 HOH 414 1514 1523 HOH HOH A . FA 6 HOH 415 1515 1524 HOH HOH A . FA 6 HOH 416 1516 1525 HOH HOH A . FA 6 HOH 417 1517 1526 HOH HOH A . FA 6 HOH 418 1518 1527 HOH HOH A . FA 6 HOH 419 1519 1528 HOH HOH A . FA 6 HOH 420 1520 1529 HOH HOH A . FA 6 HOH 421 1521 1530 HOH HOH A . FA 6 HOH 422 1522 1531 HOH HOH A . FA 6 HOH 423 1523 1532 HOH HOH A . FA 6 HOH 424 1524 1533 HOH HOH A . FA 6 HOH 425 1525 1534 HOH HOH A . FA 6 HOH 426 1526 1535 HOH HOH A . FA 6 HOH 427 1527 1536 HOH HOH A . FA 6 HOH 428 1528 1537 HOH HOH A . FA 6 HOH 429 1529 1538 HOH HOH A . FA 6 HOH 430 1530 1539 HOH HOH A . FA 6 HOH 431 1531 1540 HOH HOH A . FA 6 HOH 432 1532 1541 HOH HOH A . FA 6 HOH 433 1533 1542 HOH HOH A . FA 6 HOH 434 1534 1543 HOH HOH A . FA 6 HOH 435 1535 1544 HOH HOH A . FA 6 HOH 436 1536 1545 HOH HOH A . FA 6 HOH 437 1537 1547 HOH HOH A . FA 6 HOH 438 1538 1548 HOH HOH A . FA 6 HOH 439 1539 1549 HOH HOH A . FA 6 HOH 440 1540 1550 HOH HOH A . FA 6 HOH 441 1541 1551 HOH HOH A . FA 6 HOH 442 1542 1552 HOH HOH A . FA 6 HOH 443 1543 1553 HOH HOH A . FA 6 HOH 444 1544 1554 HOH HOH A . FA 6 HOH 445 1545 1555 HOH HOH A . FA 6 HOH 446 1546 1556 HOH HOH A . FA 6 HOH 447 1547 1557 HOH HOH A . FA 6 HOH 448 1548 1558 HOH HOH A . FA 6 HOH 449 1549 1561 HOH HOH A . FA 6 HOH 450 1550 1562 HOH HOH A . FA 6 HOH 451 1551 1563 HOH HOH A . FA 6 HOH 452 1552 1564 HOH HOH A . FA 6 HOH 453 1553 1565 HOH HOH A . FA 6 HOH 454 1554 1566 HOH HOH A . FA 6 HOH 455 1555 1567 HOH HOH A . FA 6 HOH 456 1556 1568 HOH HOH A . FA 6 HOH 457 1557 1569 HOH HOH A . FA 6 HOH 458 1558 1570 HOH HOH A . FA 6 HOH 459 1559 1571 HOH HOH A . FA 6 HOH 460 1560 1572 HOH HOH A . FA 6 HOH 461 1561 1573 HOH HOH A . FA 6 HOH 462 1562 1574 HOH HOH A . FA 6 HOH 463 1563 1575 HOH HOH A . FA 6 HOH 464 1564 1576 HOH HOH A . FA 6 HOH 465 1565 1577 HOH HOH A . FA 6 HOH 466 1566 1578 HOH HOH A . FA 6 HOH 467 1567 1580 HOH HOH A . FA 6 HOH 468 1568 1581 HOH HOH A . FA 6 HOH 469 1569 1582 HOH HOH A . FA 6 HOH 470 1570 1583 HOH HOH A . FA 6 HOH 471 1571 1584 HOH HOH A . FA 6 HOH 472 1572 1585 HOH HOH A . FA 6 HOH 473 1573 1586 HOH HOH A . FA 6 HOH 474 1574 1587 HOH HOH A . FA 6 HOH 475 1575 1588 HOH HOH A . FA 6 HOH 476 1576 1589 HOH HOH A . FA 6 HOH 477 1577 1590 HOH HOH A . FA 6 HOH 478 1578 1592 HOH HOH A . FA 6 HOH 479 1579 1593 HOH HOH A . FA 6 HOH 480 1580 1594 HOH HOH A . FA 6 HOH 481 1581 1595 HOH HOH A . FA 6 HOH 482 1582 1596 HOH HOH A . FA 6 HOH 483 1583 1597 HOH HOH A . FA 6 HOH 484 1584 1598 HOH HOH A . FA 6 HOH 485 1585 1599 HOH HOH A . FA 6 HOH 486 1586 1600 HOH HOH A . FA 6 HOH 487 1587 1601 HOH HOH A . FA 6 HOH 488 1588 1602 HOH HOH A . FA 6 HOH 489 1589 1603 HOH HOH A . FA 6 HOH 490 1590 1604 HOH HOH A . FA 6 HOH 491 1591 1605 HOH HOH A . FA 6 HOH 492 1592 1606 HOH HOH A . FA 6 HOH 493 1593 1607 HOH HOH A . FA 6 HOH 494 1594 1608 HOH HOH A . FA 6 HOH 495 1595 1609 HOH HOH A . FA 6 HOH 496 1596 1610 HOH HOH A . FA 6 HOH 497 1597 1611 HOH HOH A . FA 6 HOH 498 1598 1613 HOH HOH A . FA 6 HOH 499 1599 1614 HOH HOH A . FA 6 HOH 500 1600 1615 HOH HOH A . FA 6 HOH 501 1601 1616 HOH HOH A . FA 6 HOH 502 1602 1617 HOH HOH A . FA 6 HOH 503 1603 1618 HOH HOH A . FA 6 HOH 504 1604 1619 HOH HOH A . FA 6 HOH 505 1605 1620 HOH HOH A . FA 6 HOH 506 1606 1621 HOH HOH A . FA 6 HOH 507 1607 1622 HOH HOH A . FA 6 HOH 508 1608 1623 HOH HOH A . FA 6 HOH 509 1609 1624 HOH HOH A . FA 6 HOH 510 1610 1626 HOH HOH A . FA 6 HOH 511 1611 1627 HOH HOH A . FA 6 HOH 512 1612 1628 HOH HOH A . FA 6 HOH 513 1613 1629 HOH HOH A . FA 6 HOH 514 1614 1630 HOH HOH A . FA 6 HOH 515 1615 1631 HOH HOH A . FA 6 HOH 516 1616 1632 HOH HOH A . FA 6 HOH 517 1617 1633 HOH HOH A . FA 6 HOH 518 1618 1634 HOH HOH A . FA 6 HOH 519 1619 1635 HOH HOH A . FA 6 HOH 520 1620 1636 HOH HOH A . FA 6 HOH 521 1621 1637 HOH HOH A . FA 6 HOH 522 1622 1638 HOH HOH A . FA 6 HOH 523 1623 1639 HOH HOH A . FA 6 HOH 524 1624 1640 HOH HOH A . FA 6 HOH 525 1625 1641 HOH HOH A . FA 6 HOH 526 1626 1642 HOH HOH A . FA 6 HOH 527 1627 1643 HOH HOH A . FA 6 HOH 528 1628 1644 HOH HOH A . FA 6 HOH 529 1629 1645 HOH HOH A . FA 6 HOH 530 1630 1646 HOH HOH A . FA 6 HOH 531 1631 1647 HOH HOH A . FA 6 HOH 532 1632 1649 HOH HOH A . FA 6 HOH 533 1633 1650 HOH HOH A . FA 6 HOH 534 1634 1651 HOH HOH A . FA 6 HOH 535 1635 1652 HOH HOH A . FA 6 HOH 536 1636 1653 HOH HOH A . FA 6 HOH 537 1637 1654 HOH HOH A . FA 6 HOH 538 1638 1655 HOH HOH A . FA 6 HOH 539 1639 1656 HOH HOH A . FA 6 HOH 540 1640 1657 HOH HOH A . FA 6 HOH 541 1641 1658 HOH HOH A . FA 6 HOH 542 1642 1659 HOH HOH A . FA 6 HOH 543 1643 1660 HOH HOH A . FA 6 HOH 544 1644 1661 HOH HOH A . FA 6 HOH 545 1645 1662 HOH HOH A . FA 6 HOH 546 1646 1663 HOH HOH A . FA 6 HOH 547 1647 1664 HOH HOH A . FA 6 HOH 548 1648 1665 HOH HOH A . FA 6 HOH 549 1649 1666 HOH HOH A . FA 6 HOH 550 1650 1667 HOH HOH A . FA 6 HOH 551 1651 1668 HOH HOH A . FA 6 HOH 552 1652 1669 HOH HOH A . FA 6 HOH 553 1653 1670 HOH HOH A . FA 6 HOH 554 1654 1672 HOH HOH A . FA 6 HOH 555 1655 1674 HOH HOH A . FA 6 HOH 556 1656 1675 HOH HOH A . FA 6 HOH 557 1657 1676 HOH HOH A . FA 6 HOH 558 1658 1677 HOH HOH A . FA 6 HOH 559 1659 1678 HOH HOH A . FA 6 HOH 560 1660 1680 HOH HOH A . FA 6 HOH 561 1661 1681 HOH HOH A . FA 6 HOH 562 1662 1683 HOH HOH A . FA 6 HOH 563 1663 1684 HOH HOH A . FA 6 HOH 564 1664 1685 HOH HOH A . FA 6 HOH 565 1665 1686 HOH HOH A . FA 6 HOH 566 1666 1687 HOH HOH A . FA 6 HOH 567 1667 1688 HOH HOH A . FA 6 HOH 568 1668 1689 HOH HOH A . FA 6 HOH 569 1669 1690 HOH HOH A . FA 6 HOH 570 1670 1691 HOH HOH A . FA 6 HOH 571 1671 1693 HOH HOH A . FA 6 HOH 572 1672 1694 HOH HOH A . FA 6 HOH 573 1673 1695 HOH HOH A . FA 6 HOH 574 1674 1696 HOH HOH A . FA 6 HOH 575 1675 1697 HOH HOH A . FA 6 HOH 576 1676 1698 HOH HOH A . FA 6 HOH 577 1677 1699 HOH HOH A . FA 6 HOH 578 1678 1700 HOH HOH A . FA 6 HOH 579 1679 1701 HOH HOH A . FA 6 HOH 580 1680 1702 HOH HOH A . FA 6 HOH 581 1681 1703 HOH HOH A . FA 6 HOH 582 1682 1704 HOH HOH A . FA 6 HOH 583 1683 1705 HOH HOH A . FA 6 HOH 584 1684 1706 HOH HOH A . FA 6 HOH 585 1685 1707 HOH HOH A . FA 6 HOH 586 1686 1708 HOH HOH A . FA 6 HOH 587 1687 1709 HOH HOH A . FA 6 HOH 588 1688 1710 HOH HOH A . FA 6 HOH 589 1689 1711 HOH HOH A . FA 6 HOH 590 1690 1712 HOH HOH A . FA 6 HOH 591 1691 1713 HOH HOH A . FA 6 HOH 592 1692 1714 HOH HOH A . FA 6 HOH 593 1693 1715 HOH HOH A . FA 6 HOH 594 1694 1716 HOH HOH A . FA 6 HOH 595 1695 1717 HOH HOH A . FA 6 HOH 596 1696 1718 HOH HOH A . FA 6 HOH 597 1697 1719 HOH HOH A . FA 6 HOH 598 1698 1720 HOH HOH A . FA 6 HOH 599 1699 1721 HOH HOH A . FA 6 HOH 600 1700 1722 HOH HOH A . FA 6 HOH 601 1701 1723 HOH HOH A . FA 6 HOH 602 1702 1724 HOH HOH A . FA 6 HOH 603 1703 1725 HOH HOH A . FA 6 HOH 604 1704 1726 HOH HOH A . FA 6 HOH 605 1705 1727 HOH HOH A . FA 6 HOH 606 1706 1728 HOH HOH A . FA 6 HOH 607 1707 1729 HOH HOH A . FA 6 HOH 608 1708 1730 HOH HOH A . FA 6 HOH 609 1709 1731 HOH HOH A . FA 6 HOH 610 1710 1732 HOH HOH A . FA 6 HOH 611 1711 1733 HOH HOH A . FA 6 HOH 612 1712 1734 HOH HOH A . FA 6 HOH 613 1713 1735 HOH HOH A . FA 6 HOH 614 1714 1736 HOH HOH A . FA 6 HOH 615 1715 1737 HOH HOH A . FA 6 HOH 616 1716 1738 HOH HOH A . FA 6 HOH 617 1717 1739 HOH HOH A . FA 6 HOH 618 1718 1740 HOH HOH A . FA 6 HOH 619 1719 1741 HOH HOH A . FA 6 HOH 620 1720 1742 HOH HOH A . FA 6 HOH 621 1721 1743 HOH HOH A . FA 6 HOH 622 1722 1745 HOH HOH A . FA 6 HOH 623 1723 1746 HOH HOH A . FA 6 HOH 624 1724 1747 HOH HOH A . FA 6 HOH 625 1725 1748 HOH HOH A . FA 6 HOH 626 1726 1749 HOH HOH A . FA 6 HOH 627 1727 1750 HOH HOH A . FA 6 HOH 628 1728 1751 HOH HOH A . FA 6 HOH 629 1729 1752 HOH HOH A . FA 6 HOH 630 1730 1754 HOH HOH A . FA 6 HOH 631 1731 1755 HOH HOH A . FA 6 HOH 632 1732 1756 HOH HOH A . FA 6 HOH 633 1733 1757 HOH HOH A . FA 6 HOH 634 1734 1758 HOH HOH A . FA 6 HOH 635 1735 1759 HOH HOH A . FA 6 HOH 636 1736 1760 HOH HOH A . FA 6 HOH 637 1737 1762 HOH HOH A . FA 6 HOH 638 1738 1763 HOH HOH A . FA 6 HOH 639 1739 1764 HOH HOH A . FA 6 HOH 640 1740 1765 HOH HOH A . FA 6 HOH 641 1741 1766 HOH HOH A . FA 6 HOH 642 1742 1767 HOH HOH A . FA 6 HOH 643 1743 1768 HOH HOH A . FA 6 HOH 644 1744 1769 HOH HOH A . FA 6 HOH 645 1745 1771 HOH HOH A . FA 6 HOH 646 1746 1772 HOH HOH A . FA 6 HOH 647 1747 1773 HOH HOH A . FA 6 HOH 648 1748 1774 HOH HOH A . FA 6 HOH 649 1749 1776 HOH HOH A . FA 6 HOH 650 1750 1777 HOH HOH A . FA 6 HOH 651 1751 1778 HOH HOH A . FA 6 HOH 652 1752 1780 HOH HOH A . FA 6 HOH 653 1753 1781 HOH HOH A . FA 6 HOH 654 1754 1783 HOH HOH A . FA 6 HOH 655 1755 1784 HOH HOH A . FA 6 HOH 656 1756 1785 HOH HOH A . FA 6 HOH 657 1757 1786 HOH HOH A . FA 6 HOH 658 1758 1787 HOH HOH A . FA 6 HOH 659 1759 1788 HOH HOH A . FA 6 HOH 660 1760 1789 HOH HOH A . FA 6 HOH 661 1761 1790 HOH HOH A . FA 6 HOH 662 1762 1791 HOH HOH A . FA 6 HOH 663 1763 1792 HOH HOH A . FA 6 HOH 664 1764 1793 HOH HOH A . FA 6 HOH 665 1765 1794 HOH HOH A . FA 6 HOH 666 1766 1795 HOH HOH A . FA 6 HOH 667 1767 1796 HOH HOH A . FA 6 HOH 668 1768 1798 HOH HOH A . FA 6 HOH 669 1769 1799 HOH HOH A . FA 6 HOH 670 1770 1800 HOH HOH A . FA 6 HOH 671 1771 1801 HOH HOH A . FA 6 HOH 672 1772 1802 HOH HOH A . FA 6 HOH 673 1773 1803 HOH HOH A . FA 6 HOH 674 1774 1804 HOH HOH A . FA 6 HOH 675 1775 1805 HOH HOH A . FA 6 HOH 676 1776 1807 HOH HOH A . FA 6 HOH 677 1777 1808 HOH HOH A . FA 6 HOH 678 1778 1809 HOH HOH A . FA 6 HOH 679 1779 1810 HOH HOH A . FA 6 HOH 680 1780 1811 HOH HOH A . FA 6 HOH 681 1781 1812 HOH HOH A . FA 6 HOH 682 1782 1813 HOH HOH A . FA 6 HOH 683 1783 1814 HOH HOH A . FA 6 HOH 684 1784 1815 HOH HOH A . FA 6 HOH 685 1785 1816 HOH HOH A . FA 6 HOH 686 1786 1817 HOH HOH A . FA 6 HOH 687 1787 1818 HOH HOH A . FA 6 HOH 688 1788 1819 HOH HOH A . FA 6 HOH 689 1789 1820 HOH HOH A . FA 6 HOH 690 1790 1821 HOH HOH A . FA 6 HOH 691 1791 1822 HOH HOH A . FA 6 HOH 692 1792 1823 HOH HOH A . FA 6 HOH 693 1793 1824 HOH HOH A . FA 6 HOH 694 1794 1825 HOH HOH A . FA 6 HOH 695 1795 1826 HOH HOH A . FA 6 HOH 696 1796 1827 HOH HOH A . FA 6 HOH 697 1797 1828 HOH HOH A . FA 6 HOH 698 1798 1829 HOH HOH A . FA 6 HOH 699 1799 1830 HOH HOH A . FA 6 HOH 700 1800 1831 HOH HOH A . FA 6 HOH 701 1801 1832 HOH HOH A . FA 6 HOH 702 1802 1833 HOH HOH A . FA 6 HOH 703 1803 1834 HOH HOH A . FA 6 HOH 704 1804 1836 HOH HOH A . FA 6 HOH 705 1805 1837 HOH HOH A . FA 6 HOH 706 1806 1838 HOH HOH A . FA 6 HOH 707 1807 1839 HOH HOH A . FA 6 HOH 708 1808 1840 HOH HOH A . FA 6 HOH 709 1809 1841 HOH HOH A . FA 6 HOH 710 1810 1842 HOH HOH A . FA 6 HOH 711 1811 1843 HOH HOH A . FA 6 HOH 712 1812 1844 HOH HOH A . FA 6 HOH 713 1813 1845 HOH HOH A . FA 6 HOH 714 1814 1846 HOH HOH A . FA 6 HOH 715 1815 1847 HOH HOH A . FA 6 HOH 716 1816 1848 HOH HOH A . FA 6 HOH 717 1817 1849 HOH HOH A . FA 6 HOH 718 1818 1850 HOH HOH A . FA 6 HOH 719 1819 1851 HOH HOH A . FA 6 HOH 720 1820 1852 HOH HOH A . FA 6 HOH 721 1821 1853 HOH HOH A . FA 6 HOH 722 1822 1854 HOH HOH A . FA 6 HOH 723 1823 1855 HOH HOH A . FA 6 HOH 724 1824 1856 HOH HOH A . FA 6 HOH 725 1825 1857 HOH HOH A . FA 6 HOH 726 1826 1858 HOH HOH A . FA 6 HOH 727 1827 1859 HOH HOH A . FA 6 HOH 728 1828 1860 HOH HOH A . FA 6 HOH 729 1829 1861 HOH HOH A . FA 6 HOH 730 1830 1862 HOH HOH A . FA 6 HOH 731 1831 1863 HOH HOH A . FA 6 HOH 732 1832 1864 HOH HOH A . FA 6 HOH 733 1833 1865 HOH HOH A . FA 6 HOH 734 1834 1866 HOH HOH A . FA 6 HOH 735 1835 1867 HOH HOH A . FA 6 HOH 736 1836 1868 HOH HOH A . FA 6 HOH 737 1837 1869 HOH HOH A . FA 6 HOH 738 1838 1870 HOH HOH A . FA 6 HOH 739 1839 1871 HOH HOH A . FA 6 HOH 740 1840 1872 HOH HOH A . FA 6 HOH 741 1841 1873 HOH HOH A . FA 6 HOH 742 1842 1874 HOH HOH A . FA 6 HOH 743 1843 1875 HOH HOH A . FA 6 HOH 744 1844 1876 HOH HOH A . FA 6 HOH 745 1845 1877 HOH HOH A . FA 6 HOH 746 1846 1878 HOH HOH A . FA 6 HOH 747 1847 1879 HOH HOH A . FA 6 HOH 748 1848 1880 HOH HOH A . FA 6 HOH 749 1849 1881 HOH HOH A . FA 6 HOH 750 1850 1882 HOH HOH A . FA 6 HOH 751 1851 1883 HOH HOH A . FA 6 HOH 752 1852 1886 HOH HOH A . FA 6 HOH 753 1853 1888 HOH HOH A . FA 6 HOH 754 1854 1889 HOH HOH A . FA 6 HOH 755 1855 1890 HOH HOH A . FA 6 HOH 756 1856 1891 HOH HOH A . FA 6 HOH 757 1857 1894 HOH HOH A . FA 6 HOH 758 1858 1895 HOH HOH A . FA 6 HOH 759 1859 1896 HOH HOH A . FA 6 HOH 760 1860 1897 HOH HOH A . FA 6 HOH 761 1861 1898 HOH HOH A . FA 6 HOH 762 1862 1899 HOH HOH A . FA 6 HOH 763 1863 1900 HOH HOH A . FA 6 HOH 764 1864 1901 HOH HOH A . FA 6 HOH 765 1865 1902 HOH HOH A . FA 6 HOH 766 1866 1903 HOH HOH A . FA 6 HOH 767 1867 1904 HOH HOH A . FA 6 HOH 768 1868 1905 HOH HOH A . FA 6 HOH 769 1869 1906 HOH HOH A . FA 6 HOH 770 1870 1907 HOH HOH A . FA 6 HOH 771 1871 1908 HOH HOH A . FA 6 HOH 772 1872 1909 HOH HOH A . FA 6 HOH 773 1873 1910 HOH HOH A . FA 6 HOH 774 1874 1911 HOH HOH A . FA 6 HOH 775 1875 1912 HOH HOH A . FA 6 HOH 776 1876 1913 HOH HOH A . FA 6 HOH 777 1877 1914 HOH HOH A . FA 6 HOH 778 1878 1915 HOH HOH A . FA 6 HOH 779 1879 1916 HOH HOH A . FA 6 HOH 780 1880 1917 HOH HOH A . FA 6 HOH 781 1881 1918 HOH HOH A . FA 6 HOH 782 1882 1919 HOH HOH A . FA 6 HOH 783 1883 1920 HOH HOH A . FA 6 HOH 784 1884 1921 HOH HOH A . FA 6 HOH 785 1885 1923 HOH HOH A . FA 6 HOH 786 1886 1925 HOH HOH A . FA 6 HOH 787 1887 1926 HOH HOH A . FA 6 HOH 788 1888 1927 HOH HOH A . FA 6 HOH 789 1889 1928 HOH HOH A . FA 6 HOH 790 1890 1929 HOH HOH A . FA 6 HOH 791 1891 1930 HOH HOH A . FA 6 HOH 792 1892 1931 HOH HOH A . FA 6 HOH 793 1893 1932 HOH HOH A . FA 6 HOH 794 1894 1933 HOH HOH A . FA 6 HOH 795 1895 1934 HOH HOH A . FA 6 HOH 796 1896 1935 HOH HOH A . FA 6 HOH 797 1897 1936 HOH HOH A . FA 6 HOH 798 1898 1937 HOH HOH A . FA 6 HOH 799 1899 1938 HOH HOH A . FA 6 HOH 800 1900 1941 HOH HOH A . FA 6 HOH 801 1901 1942 HOH HOH A . FA 6 HOH 802 1902 1943 HOH HOH A . FA 6 HOH 803 1903 1944 HOH HOH A . FA 6 HOH 804 1904 1945 HOH HOH A . FA 6 HOH 805 1905 1946 HOH HOH A . FA 6 HOH 806 1906 1947 HOH HOH A . FA 6 HOH 807 1907 1948 HOH HOH A . FA 6 HOH 808 1908 1949 HOH HOH A . FA 6 HOH 809 1909 1951 HOH HOH A . FA 6 HOH 810 1910 1952 HOH HOH A . FA 6 HOH 811 1911 1953 HOH HOH A . FA 6 HOH 812 1912 1954 HOH HOH A . FA 6 HOH 813 1913 1955 HOH HOH A . FA 6 HOH 814 1914 1956 HOH HOH A . FA 6 HOH 815 1915 1957 HOH HOH A . FA 6 HOH 816 1916 1958 HOH HOH A . FA 6 HOH 817 1917 1959 HOH HOH A . FA 6 HOH 818 1918 1961 HOH HOH A . FA 6 HOH 819 1919 1962 HOH HOH A . FA 6 HOH 820 1920 1963 HOH HOH A . FA 6 HOH 821 1921 1964 HOH HOH A . FA 6 HOH 822 1922 1966 HOH HOH A . FA 6 HOH 823 1923 1967 HOH HOH A . FA 6 HOH 824 1924 1968 HOH HOH A . FA 6 HOH 825 1925 1969 HOH HOH A . FA 6 HOH 826 1926 1971 HOH HOH A . FA 6 HOH 827 1927 1972 HOH HOH A . FA 6 HOH 828 1928 1973 HOH HOH A . FA 6 HOH 829 1929 1974 HOH HOH A . FA 6 HOH 830 1930 1975 HOH HOH A . FA 6 HOH 831 1931 1977 HOH HOH A . FA 6 HOH 832 1932 1978 HOH HOH A . FA 6 HOH 833 1933 1979 HOH HOH A . FA 6 HOH 834 1934 1980 HOH HOH A . FA 6 HOH 835 1935 1981 HOH HOH A . FA 6 HOH 836 1936 1983 HOH HOH A . FA 6 HOH 837 1937 1984 HOH HOH A . FA 6 HOH 838 1938 1986 HOH HOH A . FA 6 HOH 839 1939 1987 HOH HOH A . FA 6 HOH 840 1940 1989 HOH HOH A . FA 6 HOH 841 1941 1990 HOH HOH A . FA 6 HOH 842 1942 1991 HOH HOH A . FA 6 HOH 843 1943 1993 HOH HOH A . FA 6 HOH 844 1944 1994 HOH HOH A . FA 6 HOH 845 1945 1995 HOH HOH A . FA 6 HOH 846 1946 1996 HOH HOH A . FA 6 HOH 847 1947 1997 HOH HOH A . FA 6 HOH 848 1948 1998 HOH HOH A . FA 6 HOH 849 1949 1999 HOH HOH A . FA 6 HOH 850 1950 2000 HOH HOH A . FA 6 HOH 851 1951 2001 HOH HOH A . FA 6 HOH 852 1952 2002 HOH HOH A . FA 6 HOH 853 1953 2003 HOH HOH A . FA 6 HOH 854 1954 2004 HOH HOH A . FA 6 HOH 855 1955 2005 HOH HOH A . FA 6 HOH 856 1956 2006 HOH HOH A . FA 6 HOH 857 1957 2007 HOH HOH A . FA 6 HOH 858 1958 2009 HOH HOH A . FA 6 HOH 859 1959 2010 HOH HOH A . FA 6 HOH 860 1960 2012 HOH HOH A . FA 6 HOH 861 1961 2013 HOH HOH A . FA 6 HOH 862 1962 2014 HOH HOH A . FA 6 HOH 863 1963 2015 HOH HOH A . FA 6 HOH 864 1964 2016 HOH HOH A . FA 6 HOH 865 1965 2017 HOH HOH A . FA 6 HOH 866 1966 2018 HOH HOH A . FA 6 HOH 867 1967 2019 HOH HOH A . FA 6 HOH 868 1968 2020 HOH HOH A . FA 6 HOH 869 1969 2021 HOH HOH A . FA 6 HOH 870 1970 2022 HOH HOH A . FA 6 HOH 871 1971 2023 HOH HOH A . FA 6 HOH 872 1972 2024 HOH HOH A . FA 6 HOH 873 1973 2026 HOH HOH A . FA 6 HOH 874 1974 2027 HOH HOH A . FA 6 HOH 875 1975 2028 HOH HOH A . FA 6 HOH 876 1976 2029 HOH HOH A . FA 6 HOH 877 1977 2030 HOH HOH A . FA 6 HOH 878 1978 2031 HOH HOH A . FA 6 HOH 879 1979 2032 HOH HOH A . FA 6 HOH 880 1980 2033 HOH HOH A . FA 6 HOH 881 1981 2034 HOH HOH A . FA 6 HOH 882 1982 2035 HOH HOH A . FA 6 HOH 883 1983 2036 HOH HOH A . FA 6 HOH 884 1984 2037 HOH HOH A . FA 6 HOH 885 1985 2038 HOH HOH A . FA 6 HOH 886 1986 2039 HOH HOH A . FA 6 HOH 887 1987 2040 HOH HOH A . FA 6 HOH 888 1988 2043 HOH HOH A . FA 6 HOH 889 1989 2044 HOH HOH A . FA 6 HOH 890 1990 2046 HOH HOH A . FA 6 HOH 891 1991 2047 HOH HOH A . FA 6 HOH 892 1992 2048 HOH HOH A . FA 6 HOH 893 1993 2049 HOH HOH A . FA 6 HOH 894 1994 2050 HOH HOH A . FA 6 HOH 895 1995 2051 HOH HOH A . FA 6 HOH 896 1996 2052 HOH HOH A . FA 6 HOH 897 1997 2053 HOH HOH A . FA 6 HOH 898 1998 2054 HOH HOH A . FA 6 HOH 899 1999 2056 HOH HOH A . FA 6 HOH 900 2000 2057 HOH HOH A . FA 6 HOH 901 2001 2058 HOH HOH A . FA 6 HOH 902 2002 2059 HOH HOH A . FA 6 HOH 903 2003 2060 HOH HOH A . FA 6 HOH 904 2004 2061 HOH HOH A . GA 6 HOH 1 101 1970 HOH HOH B . GA 6 HOH 2 102 2042 HOH HOH B . # loop_ _pdbx_struct_mod_residue.id _pdbx_struct_mod_residue.label_asym_id _pdbx_struct_mod_residue.label_comp_id _pdbx_struct_mod_residue.label_seq_id _pdbx_struct_mod_residue.auth_asym_id _pdbx_struct_mod_residue.auth_comp_id _pdbx_struct_mod_residue.auth_seq_id _pdbx_struct_mod_residue.PDB_ins_code _pdbx_struct_mod_residue.parent_comp_id _pdbx_struct_mod_residue.details 1 A ASN 444 A ASN 506 ? ASN 'GLYCOSYLATION SITE' 2 A ASN 62 A ASN 124 ? ASN 'GLYCOSYLATION SITE' 3 A ASN 175 A ASN 237 ? ASN 'GLYCOSYLATION SITE' 4 A ASN 494 A ASN 556 ? ASN 'GLYCOSYLATION SITE' 5 A ASN 252 A ASN 314 ? ASN 'GLYCOSYLATION SITE' 6 A ASN 167 A ASN 229 ? ASN 'GLYCOSYLATION SITE' 7 A ASN 20 A ASN 82 ? ASN 'GLYCOSYLATION SITE' 8 A ASN 584 A ASN 646 ? ASN 'GLYCOSYLATION SITE' 9 A ASN 266 A ASN 328 ? ASN 'GLYCOSYLATION SITE' 10 A ASN 560 A ASN 622 ? ASN 'GLYCOSYLATION SITE' # _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 tetrameric _pdbx_struct_assembly.oligomeric_count 4 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1,2 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H,I,J,K,L,M,N,O,P,Q,R,S,T,U,V,W,X,Y,Z,AA,BA,CA,DA,EA,FA,GA # 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)' 16260 ? 1 MORE -307 ? 1 'SSA (A^2)' 74580 ? # loop_ _pdbx_struct_oper_list.id _pdbx_struct_oper_list.type _pdbx_struct_oper_list.name _pdbx_struct_oper_list.symmetry_operation _pdbx_struct_oper_list.matrix[1][1] _pdbx_struct_oper_list.matrix[1][2] _pdbx_struct_oper_list.matrix[1][3] _pdbx_struct_oper_list.vector[1] _pdbx_struct_oper_list.matrix[2][1] _pdbx_struct_oper_list.matrix[2][2] _pdbx_struct_oper_list.matrix[2][3] _pdbx_struct_oper_list.vector[2] _pdbx_struct_oper_list.matrix[3][1] _pdbx_struct_oper_list.matrix[3][2] _pdbx_struct_oper_list.matrix[3][3] _pdbx_struct_oper_list.vector[3] 1 'identity operation' 1_555 x,y,z 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 2 'crystal symmetry operation' 2_556 -x,y,-z+1 -1.0000000000 0.0000000000 0.0000000000 -15.0741699801 0.0000000000 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -1.0000000000 80.6259383103 # 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 OE2 ? A GLU 344 ? A GLU 406 ? 1_555 ZN ? C ZN . ? A ZN 1001 ? 1_555 NE2 ? A HIS 325 ? A HIS 387 ? 1_555 105.0 ? 2 OE2 ? A GLU 344 ? A GLU 406 ? 1_555 ZN ? C ZN . ? A ZN 1001 ? 1_555 NE2 ? A HIS 321 ? A HIS 383 ? 1_555 102.2 ? 3 NE2 ? A HIS 325 ? A HIS 387 ? 1_555 ZN ? C ZN . ? A ZN 1001 ? 1_555 NE2 ? A HIS 321 ? A HIS 383 ? 1_555 108.1 ? 4 OE2 ? A GLU 344 ? A GLU 406 ? 1_555 ZN ? C ZN . ? A ZN 1001 ? 1_555 O ? FA HOH . ? A HOH 1232 ? 1_555 136.9 ? 5 NE2 ? A HIS 325 ? A HIS 387 ? 1_555 ZN ? C ZN . ? A ZN 1001 ? 1_555 O ? FA HOH . ? A HOH 1232 ? 1_555 100.9 ? 6 NE2 ? A HIS 321 ? A HIS 383 ? 1_555 ZN ? C ZN . ? A ZN 1001 ? 1_555 O ? FA HOH . ? A HOH 1232 ? 1_555 101.8 ? # loop_ _pdbx_audit_revision_history.ordinal _pdbx_audit_revision_history.data_content_type _pdbx_audit_revision_history.major_revision _pdbx_audit_revision_history.minor_revision _pdbx_audit_revision_history.revision_date 1 'Structure model' 1 0 2014-11-05 2 'Structure model' 1 1 2014-11-19 3 'Structure model' 1 2 2015-01-14 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # loop_ _pdbx_audit_revision_group.ordinal _pdbx_audit_revision_group.revision_ordinal _pdbx_audit_revision_group.data_content_type _pdbx_audit_revision_group.group 1 2 'Structure model' 'Database references' 2 3 'Structure model' 'Database references' # _pdbx_refine_tls.pdbx_refine_id 'X-RAY DIFFRACTION' _pdbx_refine_tls.id 1 _pdbx_refine_tls.details ? _pdbx_refine_tls.method refined _pdbx_refine_tls.origin_x 21.5644 _pdbx_refine_tls.origin_y 18.4568 _pdbx_refine_tls.origin_z 60.0179 _pdbx_refine_tls.T[1][1] 0.0132 _pdbx_refine_tls.T[2][2] 0.0074 _pdbx_refine_tls.T[3][3] 0.0073 _pdbx_refine_tls.T[1][2] 0.0001 _pdbx_refine_tls.T[1][3] 0.0098 _pdbx_refine_tls.T[2][3] -0.0003 _pdbx_refine_tls.L[1][1] 0.0004 _pdbx_refine_tls.L[2][2] 0.0006 _pdbx_refine_tls.L[3][3] 0.0025 _pdbx_refine_tls.L[1][2] 0.0003 _pdbx_refine_tls.L[1][3] 0.0006 _pdbx_refine_tls.L[2][3] -0.0002 _pdbx_refine_tls.S[1][1] 0.0000 _pdbx_refine_tls.S[1][2] -0.0009 _pdbx_refine_tls.S[1][3] 0.0001 _pdbx_refine_tls.S[2][1] 0.0004 _pdbx_refine_tls.S[2][2] -0.0003 _pdbx_refine_tls.S[2][3] 0.0003 _pdbx_refine_tls.S[3][1] 0.0000 _pdbx_refine_tls.S[3][2] 0.0003 _pdbx_refine_tls.S[3][3] 0.0004 # 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 A 63 ? ? A 281 ? ? ? ? 'X-RAY DIFFRACTION' 2 1 A 282 ? ? A 543 ? ? ? ? 'X-RAY DIFFRACTION' 3 1 A 544 ? ? A 632 ? ? ? ? 'X-RAY DIFFRACTION' 4 1 A 633 ? ? A 964 ? ? ? ? # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal REFMAC refinement 5.8.0049 ? 1 HKL-2000 'data reduction' . ? 2 HKL-2000 'data scaling' . ? 3 CCP4 phasing . ? 4 # 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 ASP A 183 ? ? -94.26 58.16 2 1 GLU A 195 ? ? -116.19 78.86 3 1 GLU A 350 ? ? -80.84 33.75 4 1 LEU A 354 ? ? -150.91 76.61 5 1 TRP A 389 ? ? -109.09 -60.64 6 1 THR A 487 ? ? 87.90 145.81 7 1 GLN A 505 ? ? -129.44 -161.96 8 1 ASN A 620 ? ? 62.40 68.74 9 1 ASN A 622 ? ? 58.46 17.79 10 1 ASP A 779 ? ? -154.30 71.74 11 1 LYS A 882 ? ? -77.96 36.12 12 1 ASP A 887 ? ? -153.15 47.18 13 1 PHE A 893 ? ? 74.30 -58.37 14 1 SER A 894 ? ? 90.46 60.52 15 1 SER A 907 ? ? -148.88 18.43 16 1 LYS A 920 ? ? -69.23 11.20 17 1 ASN A 921 ? ? -90.15 43.85 18 1 VAL A 925 ? ? 96.40 -44.76 19 1 PHE A 927 ? ? -145.92 26.67 20 1 ALA A 933 ? ? -54.92 -9.93 # 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 HIS 965 ? A HIS 903 2 1 Y 1 A HIS 966 ? A HIS 904 3 1 Y 1 A HIS 967 ? A HIS 905 4 1 Y 1 A HIS 968 ? A HIS 906 5 1 Y 1 A HIS 969 ? A HIS 907 6 1 Y 1 A HIS 970 ? A HIS 908 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 3 'ZINC ION' ZN 4 N-ACETYL-D-GLUCOSAMINE NAG 5 'SULFATE ION' SO4 6 water HOH #