data_4BDT # _entry.id 4BDT # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.287 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 4BDT PDBE EBI-54355 WWPDB D_1290054355 # loop_ _pdbx_database_related.db_name _pdbx_database_related.db_id _pdbx_database_related.content_type _pdbx_database_related.details PDB 1B41 unspecified 'HUMAN ACETYLCHOLINESTERASE COMPLEXED WITH FASCICULIN-II, GLYCOSYLATED PROTEIN' PDB 1F8U unspecified 'CRYSTAL STRUCTURE OF MUTANT E202Q OF HUMANACETYLCHOLINESTERASE COMPLEXED WITH GREEN MAMBA VENOMPEPTIDE FASCICULIN-II' PDB 1FSC unspecified 'FASCICULIN 2 (SYNCHROTRON X-RAY DIFFRACTION)' PDB 1FSS unspecified 'ACETYLCHOLINESTERASE COMPLEXED WITH FASCICULIN-II' PDB 1KU6 unspecified 'FASCICULIN 2-MOUSE ACETYLCHOLINESTERASE COMPLEX' PDB 1MAH unspecified 'FASCICULIN2 - MOUSE ACETYLCHOLINESTERASE COMPLEX' PDB 1PUV unspecified ;THEORETICAL MODEL OF THE DIISOPROPYLPHOSPHORYL- ACETYLCHOLINESTERASE COMPLEXED WITH 1,7-HEPTYLENE-BIS-N ,N'-SYN-2-PYRIDINIUMALDOXIME ; PDB 1PUW unspecified ;THEORETICAL MODEL OF THE DIISOPROPYLPHOSPHORYL- ACETYLCHOLINESTERASE COMPLEXED WITH 1,3-PROPYLENE-BIS-N ,N'-SYN-4-PYRIDINIUMALDOXIME ; PDB 1VZJ unspecified ;STRUCTURE OF THE TETRAMERIZATION DOMAIN OF ACETYLCHOLINESTERASE: FOUR-FOLD INTERACTION OF A WWW MOTIF WITH A LEFT-HANDED POLYPROLINE HELIX ; PDB 2CLJ unspecified 'HOMOLOGY-BUILT MODEL OF HUMAN ACETYLCHOLINESTERASE' PDB 2X8B unspecified 'CRYSTAL STRUCTURE OF HUMAN ACETYLCHOLINESTERASE INHIBITED BY AGED TABUN AND COMPLEXED WITH FASCICULIN-II' PDB 4BDS unspecified 'HUMAN BUTYRYLCHOLINESTERASE IN COMPLEX WITH TACRINE' # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 4BDT _pdbx_database_status.deposit_site PDBE _pdbx_database_status.process_site PDBE _pdbx_database_status.SG_entry . _pdbx_database_status.recvd_initial_deposition_date 2012-10-06 _pdbx_database_status.pdb_format_compatible Y _pdbx_database_status.status_code_sf ? _pdbx_database_status.status_code_mr ? _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? # loop_ _audit_author.name _audit_author.pdbx_ordinal _audit_author.identifier_ORCID 'Nachon, F.' 1 ? 'Carletti, E.' 2 ? 'Ronco, C.' 3 ? 'Trovaslet, M.' 4 ? 'Nicolet, Y.' 5 ? 'Jean, L.' 6 ? 'Renard, P.-Y.' 7 ? # _citation.id primary _citation.title ;Crystal structures of human cholinesterases in complex with huprine W and tacrine: elements of specificity for anti-Alzheimer's drugs targeting acetyl- and butyryl-cholinesterase. ; _citation.journal_abbrev 'Biochem. J.' _citation.journal_volume 453 _citation.page_first 393 _citation.page_last 399 _citation.year 2013 _citation.journal_id_ASTM BIJOAK _citation.country UK _citation.journal_id_ISSN 1470-8728 _citation.journal_id_CSD 0043 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 23679855 _citation.pdbx_database_id_DOI 10.1042/BJ20130013 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Nachon, F.' 1 primary 'Carletti, E.' 2 primary 'Ronco, C.' 3 primary 'Trovaslet, M.' 4 primary 'Nicolet, Y.' 5 primary 'Jean, L.' 6 primary 'Renard, P.Y.' 7 # _cell.entry_id 4BDT _cell.length_a 151.600 _cell.length_b 151.600 _cell.length_c 246.400 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 120.00 _cell.Z_PDB 18 _cell.pdbx_unique_axis ? # _symmetry.entry_id 4BDT _symmetry.space_group_name_H-M 'H 3 2' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 155 # 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 ACETYLCHOLINESTERASE 64641.738 1 3.1.1.7 ? ? ? 2 polymer nat FASCICULIN-2 6768.769 1 ? ? ? ? 3 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 2 ? ? ? ? 4 non-polymer man BETA-L-FUCOSE 164.156 1 ? ? ? ? 5 non-polymer syn 'HUPRINE W' 314.809 1 ? ? ? ? 6 non-polymer syn 'CHLORIDE ION' 35.453 10 ? ? ? ? 7 non-polymer syn 'SULFATE ION' 96.063 1 ? ? ? ? 8 water nat water 18.015 119 ? ? ? ? # loop_ _entity_name_com.entity_id _entity_name_com.name 1 ACHE 2 'FAS-2, FAS2, ACETYLCHOLINESTERASE TOXIN F-VII, FASCICULIN-II, FAS-II, TOXIN TA1' # 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 ;EGREDAELLVTVRGGRLRGIRLKTPGGPVSAFLGIPFAEPPMGPRRFLPPEPKQPWSGVVDATTFQSVCYQYVDTLYPGF EGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLVWIYGGGFYSGASSLDVYDGRFLVQAERTVLVSMNYRVGAFGFLA LPGSREAPGNVGLLDQRLALQWVQENVAAFGGDPTSVTLFGESAGAASVGMHLLSPPSRGLFHRAVLQSGAPNGPWATVG MGEARRRATQLAHLVGCPPGGTGGNDTELVACLRTRPAQVLVNHEWHVLPQESVFRFSFVPVVDGDFLSDTPEALINAGD FHGLQVLVGVVKDEGSYFLVYGAPGFSKDNESLISRAEFLAGVRVGVPQVSDLAAEAVVLHYTDWLHPEDPARLREALSD VVGDHNVVCPVAQLAGRLAAQGARVYAYVFEHRASTLSWPLWMGVPHGYEIEFIFGIPLDPSRNYTAEEKIFAQRLMRYW ANFARTGDPNEPRDPKAPQWPPYTAGAQQYVSLDLRPLEVRRGLRAQACAFWNRFLPKLLSATDTLDEAERQWKAEFHRW SSYMVHWKNQFDHYSKQDRCSDL ; ;EGREDAELLVTVRGGRLRGIRLKTPGGPVSAFLGIPFAEPPMGPRRFLPPEPKQPWSGVVDATTFQSVCYQYVDTLYPGF EGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLVWIYGGGFYSGASSLDVYDGRFLVQAERTVLVSMNYRVGAFGFLA LPGSREAPGNVGLLDQRLALQWVQENVAAFGGDPTSVTLFGESAGAASVGMHLLSPPSRGLFHRAVLQSGAPNGPWATVG MGEARRRATQLAHLVGCPPGGTGGNDTELVACLRTRPAQVLVNHEWHVLPQESVFRFSFVPVVDGDFLSDTPEALINAGD FHGLQVLVGVVKDEGSYFLVYGAPGFSKDNESLISRAEFLAGVRVGVPQVSDLAAEAVVLHYTDWLHPEDPARLREALSD VVGDHNVVCPVAQLAGRLAAQGARVYAYVFEHRASTLSWPLWMGVPHGYEIEFIFGIPLDPSRNYTAEEKIFAQRLMRYW ANFARTGDPNEPRDPKAPQWPPYTAGAQQYVSLDLRPLEVRRGLRAQACAFWNRFLPKLLSATDTLDEAERQWKAEFHRW SSYMVHWKNQFDHYSKQDRCSDL ; A ? 2 'polypeptide(L)' no no TMCYSHTTTSRAILTNCGENSCYRKSRRHPPKMVLGRGCGCPPGDDNLEVKCCTSPDKCNY TMCYSHTTTSRAILTNCGENSCYRKSRRHPPKMVLGRGCGCPPGDDNLEVKCCTSPDKCNY B ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 GLU n 1 2 GLY n 1 3 ARG n 1 4 GLU n 1 5 ASP n 1 6 ALA n 1 7 GLU n 1 8 LEU n 1 9 LEU n 1 10 VAL n 1 11 THR n 1 12 VAL n 1 13 ARG n 1 14 GLY n 1 15 GLY n 1 16 ARG n 1 17 LEU n 1 18 ARG n 1 19 GLY n 1 20 ILE n 1 21 ARG n 1 22 LEU n 1 23 LYS n 1 24 THR n 1 25 PRO n 1 26 GLY n 1 27 GLY n 1 28 PRO n 1 29 VAL n 1 30 SER n 1 31 ALA n 1 32 PHE n 1 33 LEU n 1 34 GLY n 1 35 ILE n 1 36 PRO n 1 37 PHE n 1 38 ALA n 1 39 GLU n 1 40 PRO n 1 41 PRO n 1 42 MET n 1 43 GLY n 1 44 PRO n 1 45 ARG n 1 46 ARG n 1 47 PHE n 1 48 LEU n 1 49 PRO n 1 50 PRO n 1 51 GLU n 1 52 PRO n 1 53 LYS n 1 54 GLN n 1 55 PRO n 1 56 TRP n 1 57 SER n 1 58 GLY n 1 59 VAL n 1 60 VAL n 1 61 ASP n 1 62 ALA n 1 63 THR n 1 64 THR n 1 65 PHE n 1 66 GLN n 1 67 SER n 1 68 VAL n 1 69 CYS n 1 70 TYR n 1 71 GLN n 1 72 TYR n 1 73 VAL n 1 74 ASP n 1 75 THR n 1 76 LEU n 1 77 TYR n 1 78 PRO n 1 79 GLY n 1 80 PHE n 1 81 GLU n 1 82 GLY n 1 83 THR n 1 84 GLU n 1 85 MET n 1 86 TRP n 1 87 ASN n 1 88 PRO n 1 89 ASN n 1 90 ARG n 1 91 GLU n 1 92 LEU n 1 93 SER n 1 94 GLU n 1 95 ASP n 1 96 CYS n 1 97 LEU n 1 98 TYR n 1 99 LEU n 1 100 ASN n 1 101 VAL n 1 102 TRP n 1 103 THR n 1 104 PRO n 1 105 TYR n 1 106 PRO n 1 107 ARG n 1 108 PRO n 1 109 THR n 1 110 SER n 1 111 PRO n 1 112 THR n 1 113 PRO n 1 114 VAL n 1 115 LEU n 1 116 VAL n 1 117 TRP n 1 118 ILE n 1 119 TYR n 1 120 GLY n 1 121 GLY n 1 122 GLY n 1 123 PHE n 1 124 TYR n 1 125 SER n 1 126 GLY n 1 127 ALA n 1 128 SER n 1 129 SER n 1 130 LEU n 1 131 ASP n 1 132 VAL n 1 133 TYR n 1 134 ASP n 1 135 GLY n 1 136 ARG n 1 137 PHE n 1 138 LEU n 1 139 VAL n 1 140 GLN n 1 141 ALA n 1 142 GLU n 1 143 ARG n 1 144 THR n 1 145 VAL n 1 146 LEU n 1 147 VAL n 1 148 SER n 1 149 MET n 1 150 ASN n 1 151 TYR n 1 152 ARG n 1 153 VAL n 1 154 GLY n 1 155 ALA n 1 156 PHE n 1 157 GLY n 1 158 PHE n 1 159 LEU n 1 160 ALA n 1 161 LEU n 1 162 PRO n 1 163 GLY n 1 164 SER n 1 165 ARG n 1 166 GLU n 1 167 ALA n 1 168 PRO n 1 169 GLY n 1 170 ASN n 1 171 VAL n 1 172 GLY n 1 173 LEU n 1 174 LEU n 1 175 ASP n 1 176 GLN n 1 177 ARG n 1 178 LEU n 1 179 ALA n 1 180 LEU n 1 181 GLN n 1 182 TRP n 1 183 VAL n 1 184 GLN n 1 185 GLU n 1 186 ASN n 1 187 VAL n 1 188 ALA n 1 189 ALA n 1 190 PHE n 1 191 GLY n 1 192 GLY n 1 193 ASP n 1 194 PRO n 1 195 THR n 1 196 SER n 1 197 VAL n 1 198 THR n 1 199 LEU n 1 200 PHE n 1 201 GLY n 1 202 GLU n 1 203 SER n 1 204 ALA n 1 205 GLY n 1 206 ALA n 1 207 ALA n 1 208 SER n 1 209 VAL n 1 210 GLY n 1 211 MET n 1 212 HIS n 1 213 LEU n 1 214 LEU n 1 215 SER n 1 216 PRO n 1 217 PRO n 1 218 SER n 1 219 ARG n 1 220 GLY n 1 221 LEU n 1 222 PHE n 1 223 HIS n 1 224 ARG n 1 225 ALA n 1 226 VAL n 1 227 LEU n 1 228 GLN n 1 229 SER n 1 230 GLY n 1 231 ALA n 1 232 PRO n 1 233 ASN n 1 234 GLY n 1 235 PRO n 1 236 TRP n 1 237 ALA n 1 238 THR n 1 239 VAL n 1 240 GLY n 1 241 MET n 1 242 GLY n 1 243 GLU n 1 244 ALA n 1 245 ARG n 1 246 ARG n 1 247 ARG n 1 248 ALA n 1 249 THR n 1 250 GLN n 1 251 LEU n 1 252 ALA n 1 253 HIS n 1 254 LEU n 1 255 VAL n 1 256 GLY n 1 257 CYS n 1 258 PRO n 1 259 PRO n 1 260 GLY n 1 261 GLY n 1 262 THR n 1 263 GLY n 1 264 GLY n 1 265 ASN n 1 266 ASP n 1 267 THR n 1 268 GLU n 1 269 LEU n 1 270 VAL n 1 271 ALA n 1 272 CYS n 1 273 LEU n 1 274 ARG n 1 275 THR n 1 276 ARG n 1 277 PRO n 1 278 ALA n 1 279 GLN n 1 280 VAL n 1 281 LEU n 1 282 VAL n 1 283 ASN n 1 284 HIS n 1 285 GLU n 1 286 TRP n 1 287 HIS n 1 288 VAL n 1 289 LEU n 1 290 PRO n 1 291 GLN n 1 292 GLU n 1 293 SER n 1 294 VAL n 1 295 PHE n 1 296 ARG n 1 297 PHE n 1 298 SER n 1 299 PHE n 1 300 VAL n 1 301 PRO n 1 302 VAL n 1 303 VAL n 1 304 ASP n 1 305 GLY n 1 306 ASP n 1 307 PHE n 1 308 LEU n 1 309 SER n 1 310 ASP n 1 311 THR n 1 312 PRO n 1 313 GLU n 1 314 ALA n 1 315 LEU n 1 316 ILE n 1 317 ASN n 1 318 ALA n 1 319 GLY n 1 320 ASP n 1 321 PHE n 1 322 HIS n 1 323 GLY n 1 324 LEU n 1 325 GLN n 1 326 VAL n 1 327 LEU n 1 328 VAL n 1 329 GLY n 1 330 VAL n 1 331 VAL n 1 332 LYS n 1 333 ASP n 1 334 GLU n 1 335 GLY n 1 336 SER n 1 337 TYR n 1 338 PHE n 1 339 LEU n 1 340 VAL n 1 341 TYR n 1 342 GLY n 1 343 ALA n 1 344 PRO n 1 345 GLY n 1 346 PHE n 1 347 SER n 1 348 LYS n 1 349 ASP n 1 350 ASN n 1 351 GLU n 1 352 SER n 1 353 LEU n 1 354 ILE n 1 355 SER n 1 356 ARG n 1 357 ALA n 1 358 GLU n 1 359 PHE n 1 360 LEU n 1 361 ALA n 1 362 GLY n 1 363 VAL n 1 364 ARG n 1 365 VAL n 1 366 GLY n 1 367 VAL n 1 368 PRO n 1 369 GLN n 1 370 VAL n 1 371 SER n 1 372 ASP n 1 373 LEU n 1 374 ALA n 1 375 ALA n 1 376 GLU n 1 377 ALA n 1 378 VAL n 1 379 VAL n 1 380 LEU n 1 381 HIS n 1 382 TYR n 1 383 THR n 1 384 ASP n 1 385 TRP n 1 386 LEU n 1 387 HIS n 1 388 PRO n 1 389 GLU n 1 390 ASP n 1 391 PRO n 1 392 ALA n 1 393 ARG n 1 394 LEU n 1 395 ARG n 1 396 GLU n 1 397 ALA n 1 398 LEU n 1 399 SER n 1 400 ASP n 1 401 VAL n 1 402 VAL n 1 403 GLY n 1 404 ASP n 1 405 HIS n 1 406 ASN n 1 407 VAL n 1 408 VAL n 1 409 CYS n 1 410 PRO n 1 411 VAL n 1 412 ALA n 1 413 GLN n 1 414 LEU n 1 415 ALA n 1 416 GLY n 1 417 ARG n 1 418 LEU n 1 419 ALA n 1 420 ALA n 1 421 GLN n 1 422 GLY n 1 423 ALA n 1 424 ARG n 1 425 VAL n 1 426 TYR n 1 427 ALA n 1 428 TYR n 1 429 VAL n 1 430 PHE n 1 431 GLU n 1 432 HIS n 1 433 ARG n 1 434 ALA n 1 435 SER n 1 436 THR n 1 437 LEU n 1 438 SER n 1 439 TRP n 1 440 PRO n 1 441 LEU n 1 442 TRP n 1 443 MET n 1 444 GLY n 1 445 VAL n 1 446 PRO n 1 447 HIS n 1 448 GLY n 1 449 TYR n 1 450 GLU n 1 451 ILE n 1 452 GLU n 1 453 PHE n 1 454 ILE n 1 455 PHE n 1 456 GLY n 1 457 ILE n 1 458 PRO n 1 459 LEU n 1 460 ASP n 1 461 PRO n 1 462 SER n 1 463 ARG n 1 464 ASN n 1 465 TYR n 1 466 THR n 1 467 ALA n 1 468 GLU n 1 469 GLU n 1 470 LYS n 1 471 ILE n 1 472 PHE n 1 473 ALA n 1 474 GLN n 1 475 ARG n 1 476 LEU n 1 477 MET n 1 478 ARG n 1 479 TYR n 1 480 TRP n 1 481 ALA n 1 482 ASN n 1 483 PHE n 1 484 ALA n 1 485 ARG n 1 486 THR n 1 487 GLY n 1 488 ASP n 1 489 PRO n 1 490 ASN n 1 491 GLU n 1 492 PRO n 1 493 ARG n 1 494 ASP n 1 495 PRO n 1 496 LYS n 1 497 ALA n 1 498 PRO n 1 499 GLN n 1 500 TRP n 1 501 PRO n 1 502 PRO n 1 503 TYR n 1 504 THR n 1 505 ALA n 1 506 GLY n 1 507 ALA n 1 508 GLN n 1 509 GLN n 1 510 TYR n 1 511 VAL n 1 512 SER n 1 513 LEU n 1 514 ASP n 1 515 LEU n 1 516 ARG n 1 517 PRO n 1 518 LEU n 1 519 GLU n 1 520 VAL n 1 521 ARG n 1 522 ARG n 1 523 GLY n 1 524 LEU n 1 525 ARG n 1 526 ALA n 1 527 GLN n 1 528 ALA n 1 529 CYS n 1 530 ALA n 1 531 PHE n 1 532 TRP n 1 533 ASN n 1 534 ARG n 1 535 PHE n 1 536 LEU n 1 537 PRO n 1 538 LYS n 1 539 LEU n 1 540 LEU n 1 541 SER n 1 542 ALA n 1 543 THR n 1 544 ASP n 1 545 THR n 1 546 LEU n 1 547 ASP n 1 548 GLU n 1 549 ALA n 1 550 GLU n 1 551 ARG n 1 552 GLN n 1 553 TRP n 1 554 LYS n 1 555 ALA n 1 556 GLU n 1 557 PHE n 1 558 HIS n 1 559 ARG n 1 560 TRP n 1 561 SER n 1 562 SER n 1 563 TYR n 1 564 MET n 1 565 VAL n 1 566 HIS n 1 567 TRP n 1 568 LYS n 1 569 ASN n 1 570 GLN n 1 571 PHE n 1 572 ASP n 1 573 HIS n 1 574 TYR n 1 575 SER n 1 576 LYS n 1 577 GLN n 1 578 ASP n 1 579 ARG n 1 580 CYS n 1 581 SER n 1 582 ASP n 1 583 LEU n 2 1 THR n 2 2 MET n 2 3 CYS n 2 4 TYR n 2 5 SER n 2 6 HIS n 2 7 THR n 2 8 THR n 2 9 THR n 2 10 SER n 2 11 ARG n 2 12 ALA n 2 13 ILE n 2 14 LEU n 2 15 THR n 2 16 ASN n 2 17 CYS n 2 18 GLY n 2 19 GLU n 2 20 ASN n 2 21 SER n 2 22 CYS n 2 23 TYR n 2 24 ARG n 2 25 LYS n 2 26 SER n 2 27 ARG n 2 28 ARG n 2 29 HIS n 2 30 PRO n 2 31 PRO n 2 32 LYS n 2 33 MET n 2 34 VAL n 2 35 LEU n 2 36 GLY n 2 37 ARG n 2 38 GLY n 2 39 CYS n 2 40 GLY n 2 41 CYS n 2 42 PRO n 2 43 PRO n 2 44 GLY n 2 45 ASP n 2 46 ASP n 2 47 ASN n 2 48 LEU n 2 49 GLU n 2 50 VAL n 2 51 LYS n 2 52 CYS n 2 53 CYS n 2 54 THR n 2 55 SER n 2 56 PRO n 2 57 ASP n 2 58 LYS n 2 59 CYS n 2 60 ASN n 2 61 TYR 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 HUMAN _entity_src_gen.gene_src_genus ? _entity_src_gen.pdbx_gene_src_gene ? _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 'HOMO SAPIENS' _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 9606 _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 'CHINESE HAMSTER' _entity_src_gen.pdbx_host_org_scientific_name 'CRICETULUS GRISEUS' _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 10029 _entity_src_gen.host_org_genus ? _entity_src_gen.pdbx_host_org_gene ? _entity_src_gen.pdbx_host_org_organ ? _entity_src_gen.host_org_species ? _entity_src_gen.pdbx_host_org_tissue ? _entity_src_gen.pdbx_host_org_tissue_fraction ? _entity_src_gen.pdbx_host_org_strain ? _entity_src_gen.pdbx_host_org_variant ? _entity_src_gen.pdbx_host_org_cell_line CHO-K1 _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 PLASMID _entity_src_gen.pdbx_host_org_vector ? _entity_src_gen.host_org_details ? _entity_src_gen.expression_system_id ? _entity_src_gen.plasmid_name PGS _entity_src_gen.plasmid_details ? _entity_src_gen.pdbx_description ? # _entity_src_nat.entity_id 2 _entity_src_nat.pdbx_src_id 1 _entity_src_nat.pdbx_alt_source_flag sample _entity_src_nat.pdbx_beg_seq_num ? _entity_src_nat.pdbx_end_seq_num ? _entity_src_nat.common_name 'EASTERN GREEN MAMBA' _entity_src_nat.pdbx_organism_scientific 'DENDROASPIS ANGUSTICEPS' _entity_src_nat.pdbx_ncbi_taxonomy_id 8618 _entity_src_nat.genus ? _entity_src_nat.species ? _entity_src_nat.strain ? _entity_src_nat.tissue ? _entity_src_nat.tissue_fraction ? _entity_src_nat.pdbx_secretion ? _entity_src_nat.pdbx_fragment ? _entity_src_nat.pdbx_variant ? _entity_src_nat.pdbx_cell_line ? _entity_src_nat.pdbx_atcc ? _entity_src_nat.pdbx_cellular_location ? _entity_src_nat.pdbx_organ ? _entity_src_nat.pdbx_organelle ? _entity_src_nat.pdbx_cell ? _entity_src_nat.pdbx_plasmid_name ? _entity_src_nat.pdbx_plasmid_details ? _entity_src_nat.details ? # loop_ _struct_ref.id _struct_ref.db_name _struct_ref.db_code _struct_ref.entity_id _struct_ref.pdbx_seq_one_letter_code _struct_ref.pdbx_align_begin _struct_ref.pdbx_db_accession _struct_ref.pdbx_db_isoform 1 UNP ACES_HUMAN 1 ? ? P22303 ? 2 UNP TXFA2_DENAN 2 ? ? P0C1Z0 ? # 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 4BDT A 1 ? 583 ? P22303 32 ? 614 ? 1 583 2 2 4BDT B 1 ? 61 ? P0C1Z0 1 ? 61 ? 1 61 # 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 CL non-polymer . 'CHLORIDE ION' ? 'Cl -1' 35.453 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 FUL L-saccharide . BETA-L-FUCOSE 6-DEOXY-BETA-L-GALACTOSE 'C6 H12 O5' 164.156 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 HUW non-polymer . 'HUPRINE W' ? 'C18 H19 Cl N2 O' 314.809 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 # _exptl.entry_id 4BDT _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 4.9 _exptl_crystal.density_percent_sol 75 _exptl_crystal.description NONE # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method ? _exptl_crystal_grow.temp ? _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH 7.4 _exptl_crystal_grow.pdbx_pH_range ? _exptl_crystal_grow.pdbx_details '0.1 M HEPES BUFFER PH 7.4, 1.3 M AMMONIUM SULFATE' # _diffrn.id 1 _diffrn.ambient_temp 100 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector CCD _diffrn_detector.type 'ADSC QUANTUM 315r' _diffrn_detector.pdbx_collection_date 2009-06-19 _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 ? _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 0.9790 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'ESRF BEAMLINE ID14-4' _diffrn_source.pdbx_synchrotron_site ESRF _diffrn_source.pdbx_synchrotron_beamline ID14-4 _diffrn_source.pdbx_wavelength 0.9790 _diffrn_source.pdbx_wavelength_list ? # _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 _reflns.entry_id 4BDT _reflns.observed_criterion_sigma_I -3.0 _reflns.observed_criterion_sigma_F ? _reflns.d_resolution_low 58.00 _reflns.d_resolution_high 3.10 _reflns.number_obs 19677 _reflns.number_all ? _reflns.percent_possible_obs 98.1 _reflns.pdbx_Rmerge_I_obs 0.09 _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_sigmaI 16.00 _reflns.B_iso_Wilson_estimate 66.43 _reflns.pdbx_redundancy 3.1 # _reflns_shell.pdbx_diffrn_id 1 _reflns_shell.pdbx_ordinal 1 _reflns_shell.d_res_high 3.10 _reflns_shell.d_res_low 3.20 _reflns_shell.percent_possible_all 93.7 _reflns_shell.Rmerge_I_obs 0.66 _reflns_shell.pdbx_Rsym_value ? _reflns_shell.meanI_over_sigI_obs 3.00 _reflns_shell.pdbx_redundancy 3.1 # _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.entry_id 4BDT _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.ls_number_reflns_obs 19627 _refine.ls_number_reflns_all ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F 1.35 _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 57.934 _refine.ls_d_res_high 3.104 _refine.ls_percent_reflns_obs 98.27 _refine.ls_R_factor_obs 0.1621 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.1590 _refine.ls_R_factor_R_free 0.2189 _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 982 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.B_iso_mean 48.2 _refine.aniso_B[1][1] ? _refine.aniso_B[2][2] ? _refine.aniso_B[3][3] ? _refine.aniso_B[1][2] ? _refine.aniso_B[1][3] ? _refine.aniso_B[2][3] ? _refine.solvent_model_details 'FLAT BULK SOLVENT MODEL' _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_solvent_vdw_probe_radii 1.11 _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii 0.90 _refine.pdbx_ls_cross_valid_method ? _refine.details ? _refine.pdbx_starting_model 'PDB ENTRY 2X8B' _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values ML _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details ? _refine.pdbx_overall_ESU_R ? _refine.pdbx_overall_ESU_R_Free ? _refine.overall_SU_ML 0.36 _refine.pdbx_overall_phase_error 26.12 _refine.overall_SU_B ? _refine.overall_SU_R_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 4863 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 75 _refine_hist.number_atoms_solvent 119 _refine_hist.number_atoms_total 5057 _refine_hist.d_res_high 3.104 _refine_hist.d_res_low 57.934 # loop_ _refine_ls_restr.type _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.number _refine_ls_restr.pdbx_refine_id _refine_ls_restr.pdbx_restraint_function f_bond_d 0.008 ? ? 5088 'X-RAY DIFFRACTION' ? f_angle_d 1.291 ? ? 6945 'X-RAY DIFFRACTION' ? f_dihedral_angle_d 18.319 ? ? 1845 'X-RAY DIFFRACTION' ? f_chiral_restr 0.082 ? ? 738 'X-RAY DIFFRACTION' ? f_plane_restr 0.007 ? ? 910 'X-RAY DIFFRACTION' ? # loop_ _refine_ls_shell.pdbx_refine_id _refine_ls_shell.pdbx_total_number_of_bins_used _refine_ls_shell.d_res_high _refine_ls_shell.d_res_low _refine_ls_shell.number_reflns_R_work _refine_ls_shell.R_factor_R_work _refine_ls_shell.percent_reflns_obs _refine_ls_shell.R_factor_R_free _refine_ls_shell.R_factor_R_free_error _refine_ls_shell.percent_reflns_R_free _refine_ls_shell.number_reflns_R_free _refine_ls_shell.number_reflns_all _refine_ls_shell.R_factor_all 'X-RAY DIFFRACTION' . 3.1041 3.2677 2599 0.2627 97.00 0.3820 . . 137 . . 'X-RAY DIFFRACTION' . 3.2677 3.4724 2625 0.2256 99.00 0.3233 . . 139 . . 'X-RAY DIFFRACTION' . 3.4724 3.7405 2666 0.1801 99.00 0.2558 . . 140 . . 'X-RAY DIFFRACTION' . 3.7405 4.1168 2667 0.1385 99.00 0.2102 . . 141 . . 'X-RAY DIFFRACTION' . 4.1168 4.7123 2663 0.1183 99.00 0.1932 . . 140 . . 'X-RAY DIFFRACTION' . 4.7123 5.9360 2694 0.1392 99.00 0.1658 . . 141 . . 'X-RAY DIFFRACTION' . 5.9360 57.9440 2731 0.1568 97.00 0.1920 . . 144 . . # _struct.entry_id 4BDT _struct.title 'Human acetylcholinesterase in complex with huprine W and fasciculin 2' _struct.pdbx_descriptor 'ACETYLCHOLINESTERASE (E.C.3.1.1.7), FASCICULIN-2' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 4BDT _struct_keywords.pdbx_keywords HYDROLASE/INHIBITOR _struct_keywords.text 'HYDROLASE-INHIBITOR COMPLEX, BUTYRYLCHOLINESTERASE, NERVE TRANSMISSION, INHIBITION, ALPHA-BETA HYDROLASE' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 3 ? D N N 3 ? E N N 4 ? F N N 5 ? G N N 6 ? H N N 6 ? I N N 6 ? J N N 6 ? K N N 6 ? L N N 6 ? M N N 6 ? N N N 6 ? O N N 6 ? P N N 6 ? Q N N 7 ? R N N 8 ? S N N 8 ? # _struct_biol.id 1 _struct_biol.details ;CHAINA FORMS A BIOLOGICAL DIMER WITH A SYMMETRIC MOLECULE BY INTERACTION OF 4 HELICES. THE DODECAMETRIC ASSEMBLY SHOWN IN THE ASSEMBLY INFORMATION RESULTS FROM THE ASSOCIATION OF 3 BIOLOGICAL DIMERS. ; # 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 MET A 42 ? ARG A 46 ? MET A 42 ARG A 46 5 ? 5 HELX_P HELX_P2 2 LEU A 130 ? ASP A 134 ? LEU A 130 ASP A 134 5 ? 5 HELX_P HELX_P3 3 GLY A 135 ? ARG A 143 ? GLY A 135 ARG A 143 1 ? 9 HELX_P HELX_P4 4 GLY A 154 ? LEU A 159 ? GLY A 154 LEU A 159 1 ? 6 HELX_P HELX_P5 5 ASN A 170 ? VAL A 187 ? ASN A 170 VAL A 187 1 ? 18 HELX_P HELX_P6 6 ALA A 188 ? PHE A 190 ? ALA A 188 PHE A 190 5 ? 3 HELX_P HELX_P7 7 SER A 203 ? LEU A 213 ? SER A 203 LEU A 213 1 ? 11 HELX_P HELX_P8 8 SER A 215 ? GLY A 220 ? SER A 215 GLY A 220 1 ? 6 HELX_P HELX_P9 9 GLY A 240 ? VAL A 255 ? GLY A 240 VAL A 255 1 ? 16 HELX_P HELX_P10 10 ASP A 266 ? ARG A 276 ? ASP A 266 ARG A 276 1 ? 11 HELX_P HELX_P11 11 PRO A 277 ? HIS A 284 ? PRO A 277 HIS A 284 1 ? 8 HELX_P HELX_P12 12 GLU A 285 ? LEU A 289 ? GLU A 285 LEU A 289 5 ? 5 HELX_P HELX_P13 13 THR A 311 ? GLY A 319 ? THR A 311 GLY A 319 1 ? 9 HELX_P HELX_P14 14 GLY A 335 ? GLY A 342 ? GLY A 335 GLY A 342 5 ? 8 HELX_P HELX_P15 15 SER A 355 ? VAL A 367 ? SER A 355 VAL A 367 1 ? 13 HELX_P HELX_P16 16 SER A 371 ? THR A 383 ? SER A 371 THR A 383 1 ? 13 HELX_P HELX_P17 17 ASP A 390 ? VAL A 407 ? ASP A 390 VAL A 407 1 ? 18 HELX_P HELX_P18 18 VAL A 407 ? ALA A 420 ? VAL A 407 ALA A 420 1 ? 14 HELX_P HELX_P19 19 PRO A 440 ? GLY A 444 ? PRO A 440 GLY A 444 5 ? 5 HELX_P HELX_P20 20 GLU A 450 ? PHE A 455 ? GLU A 450 PHE A 455 1 ? 6 HELX_P HELX_P21 21 GLY A 456 ? ASP A 460 ? GLY A 456 ASP A 460 5 ? 5 HELX_P HELX_P22 22 THR A 466 ? GLY A 487 ? THR A 466 GLY A 487 1 ? 22 HELX_P HELX_P23 23 ARG A 525 ? ARG A 534 ? ARG A 525 ARG A 534 1 ? 10 HELX_P HELX_P24 24 ARG A 534 ? GLU A 548 ? ARG A 534 GLU A 548 1 ? 15 HELX_P HELX_P25 25 GLU A 550 ? TRP A 567 ? GLU A 550 TRP A 567 1 ? 18 # _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 69 SG ? ? ? 1_555 A CYS 96 SG ? ? A CYS 69 A CYS 96 1_555 ? ? ? ? ? ? ? 2.045 ? disulf2 disulf ? ? A CYS 257 SG ? ? ? 1_555 A CYS 272 SG ? ? A CYS 257 A CYS 272 1_555 ? ? ? ? ? ? ? 2.043 ? disulf3 disulf ? ? A CYS 409 SG ? ? ? 1_555 A CYS 529 SG ? ? A CYS 409 A CYS 529 1_555 ? ? ? ? ? ? ? 2.056 ? disulf4 disulf ? ? B CYS 3 SG ? ? ? 1_555 B CYS 22 SG ? ? B CYS 3 B CYS 22 1_555 ? ? ? ? ? ? ? 2.030 ? disulf5 disulf ? ? B CYS 17 SG ? ? ? 1_555 B CYS 39 SG ? ? B CYS 17 B CYS 39 1_555 ? ? ? ? ? ? ? 2.039 ? disulf6 disulf ? ? B CYS 41 SG ? ? ? 1_555 B CYS 52 SG ? ? B CYS 41 B CYS 52 1_555 ? ? ? ? ? ? ? 2.043 ? disulf7 disulf ? ? B CYS 53 SG ? ? ? 1_555 B CYS 59 SG ? ? B CYS 53 B CYS 59 1_555 ? ? ? ? ? ? ? 2.036 ? covale1 covale ? ? A ASN 350 ND2 ? ? ? 1_555 C NAG . C1 ? ? A ASN 350 A NAG 601 1_555 ? ? ? ? ? ? ? 1.461 ? covale2 covale ? ? C NAG . O6 ? ? ? 1_555 E FUL . C1 ? ? A NAG 601 A FUL 603 1_555 ? ? ? ? ? ? ? 1.448 ? covale3 covale ? ? C NAG . O4 ? ? ? 1_555 D NAG . C1 ? ? A NAG 601 A NAG 602 1_555 ? ? ? ? ? ? ? 1.465 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? # loop_ _struct_mon_prot_cis.pdbx_id _struct_mon_prot_cis.label_comp_id _struct_mon_prot_cis.label_seq_id _struct_mon_prot_cis.label_asym_id _struct_mon_prot_cis.label_alt_id _struct_mon_prot_cis.pdbx_PDB_ins_code _struct_mon_prot_cis.auth_comp_id _struct_mon_prot_cis.auth_seq_id _struct_mon_prot_cis.auth_asym_id _struct_mon_prot_cis.pdbx_label_comp_id_2 _struct_mon_prot_cis.pdbx_label_seq_id_2 _struct_mon_prot_cis.pdbx_label_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_ins_code_2 _struct_mon_prot_cis.pdbx_auth_comp_id_2 _struct_mon_prot_cis.pdbx_auth_seq_id_2 _struct_mon_prot_cis.pdbx_auth_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_model_num _struct_mon_prot_cis.pdbx_omega_angle 1 TYR 105 A . ? TYR 105 A PRO 106 A ? PRO 106 A 1 0.68 2 GLY 264 A . ? GLY 264 A ASN 265 A ? ASN 265 A 1 10.11 3 ASN 265 A . ? ASN 265 A ASP 266 A ? ASP 266 A 1 0.06 4 PRO 30 B . ? PRO 30 B PRO 31 B ? PRO 31 B 1 -3.81 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details AA ? 3 ? AB ? 11 ? AC ? 2 ? BA ? 2 ? BB ? 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 AA 1 2 ? anti-parallel AA 2 3 ? parallel AB 1 2 ? anti-parallel AB 2 3 ? anti-parallel AB 3 4 ? anti-parallel AB 4 5 ? parallel AB 5 6 ? parallel AB 6 7 ? parallel AB 7 8 ? parallel AB 8 9 ? parallel AB 9 10 ? parallel AB 10 11 ? anti-parallel AC 1 2 ? parallel BA 1 2 ? anti-parallel BB 1 2 ? anti-parallel BB 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 AA 1 LEU A 9 ? VAL A 12 ? LEU A 9 VAL A 12 AA 2 GLY A 15 ? ARG A 18 ? GLY A 15 ARG A 18 AA 3 VAL A 59 ? ASP A 61 ? VAL A 59 ASP A 61 AB 1 ILE A 20 ? LYS A 23 ? ILE A 20 LYS A 23 AB 2 PRO A 28 ? PRO A 36 ? PRO A 28 PRO A 36 AB 3 TYR A 98 ? PRO A 104 ? TYR A 98 PRO A 104 AB 4 VAL A 145 ? MET A 149 ? VAL A 145 MET A 149 AB 5 THR A 112 ? ILE A 118 ? THR A 112 ILE A 118 AB 6 GLY A 192 ? GLU A 202 ? GLY A 192 GLU A 202 AB 7 ARG A 224 ? GLN A 228 ? ARG A 224 GLN A 228 AB 8 GLN A 325 ? VAL A 331 ? GLN A 325 VAL A 331 AB 9 ARG A 424 ? PHE A 430 ? ARG A 424 PHE A 430 AB 10 GLN A 509 ? LEU A 513 ? GLN A 509 LEU A 513 AB 11 GLU A 519 ? ARG A 522 ? GLU A 519 ARG A 522 AC 1 VAL A 68 ? CYS A 69 ? VAL A 68 CYS A 69 AC 2 LEU A 92 ? SER A 93 ? LEU A 92 SER A 93 BA 1 MET B 2 ? SER B 5 ? MET B 2 SER B 5 BA 2 ILE B 13 ? ASN B 16 ? ILE B 13 ASN B 16 BB 1 VAL B 34 ? CYS B 39 ? VAL B 34 CYS B 39 BB 2 CYS B 22 ? ARG B 27 ? CYS B 22 ARG B 27 BB 3 LEU B 48 ? CYS B 53 ? LEU B 48 CYS B 53 # 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 AA 1 2 N VAL A 12 ? N VAL A 12 O GLY A 15 ? O GLY A 15 AA 2 3 N ARG A 18 ? N ARG A 18 O VAL A 60 ? O VAL A 60 AB 1 2 N LEU A 22 ? N LEU A 22 O VAL A 29 ? O VAL A 29 AB 2 3 N ILE A 35 ? N ILE A 35 O LEU A 99 ? O LEU A 99 AB 3 4 N TRP A 102 ? N TRP A 102 O LEU A 146 ? O LEU A 146 AB 4 5 N VAL A 145 ? N VAL A 145 O PRO A 113 ? O PRO A 113 AB 5 6 O THR A 112 ? O THR A 112 N ASP A 193 ? N ASP A 193 AB 6 7 N LEU A 199 ? N LEU A 199 O ARG A 224 ? O ARG A 224 AB 7 8 N ALA A 225 ? N ALA A 225 O GLN A 325 ? O GLN A 325 AB 8 9 N VAL A 326 ? N VAL A 326 O ARG A 424 ? O ARG A 424 AB 9 10 N VAL A 429 ? N VAL A 429 O VAL A 511 ? O VAL A 511 AB 10 11 N SER A 512 ? N SER A 512 O GLU A 519 ? O GLU A 519 AC 1 2 O VAL A 68 ? O VAL A 68 N SER A 93 ? N SER A 93 BA 1 2 N SER B 5 ? N SER B 5 O ILE B 13 ? O ILE B 13 BB 1 2 N GLY B 38 ? N GLY B 38 O TYR B 23 ? O TYR B 23 BB 2 3 N SER B 26 ? N SER B 26 O GLU B 49 ? O GLU B 49 # 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 ? ? ? ? 7 'BINDING SITE FOR RESIDUE HUW A 701' AC2 Software ? ? ? ? 1 'BINDING SITE FOR RESIDUE CL A 803' AC3 Software ? ? ? ? 1 'BINDING SITE FOR RESIDUE CL A 804' AC4 Software ? ? ? ? 1 'BINDING SITE FOR RESIDUE CL A 805' AC5 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE CL A 806' AC6 Software ? ? ? ? 1 'BINDING SITE FOR RESIDUE CL A 807' AC7 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE CL A 808' AC8 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE CL A 809' AC9 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE CL A 810' BC1 Software ? ? ? ? 1 'BINDING SITE FOR RESIDUE CL A 811' BC2 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE SO4 A 812' BC3 Software ? ? ? ? 4 'BINDING SITE FOR CHAIN A OF SUGAR BOUND TO ASN A 350 RESIDUES 601 TO 603' # 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 7 TRP A 86 ? TRP A 86 . ? 1_555 ? 2 AC1 7 GLY A 121 ? GLY A 121 . ? 1_555 ? 3 AC1 7 GLY A 122 ? GLY A 122 . ? 1_555 ? 4 AC1 7 SER A 203 ? SER A 203 . ? 1_555 ? 5 AC1 7 TYR A 337 ? TYR A 337 . ? 1_555 ? 6 AC1 7 TRP A 439 ? TRP A 439 . ? 1_555 ? 7 AC1 7 HIS A 447 ? HIS A 447 . ? 1_555 ? 8 AC2 1 ARG A 417 ? ARG A 417 . ? 1_555 ? 9 AC3 1 ARG A 356 ? ARG A 356 . ? 1_555 ? 10 AC4 1 ARG A 224 ? ARG A 224 . ? 1_555 ? 11 AC5 3 PRO A 108 ? PRO A 108 . ? 1_555 ? 12 AC5 3 ARG A 143 ? ARG A 143 . ? 1_555 ? 13 AC5 3 HOH R . ? HOH A 2033 . ? 1_555 ? 14 AC6 1 ARG A 136 ? ARG A 136 . ? 1_555 ? 15 AC7 2 ARG A 219 ? ARG A 219 . ? 1_555 ? 16 AC7 2 ASP A 320 ? ASP A 320 . ? 1_555 ? 17 AC8 2 GLY A 58 ? GLY A 58 . ? 1_555 ? 18 AC8 2 ARG A 165 ? ARG A 165 . ? 11_444 ? 19 AC9 2 ARG A 525 ? ARG A 525 . ? 1_555 ? 20 AC9 2 GLN A 527 ? GLN A 527 . ? 1_555 ? 21 BC1 1 GLU A 376 ? GLU A 376 . ? 1_555 ? 22 BC2 3 THR A 504 ? THR A 504 . ? 1_555 ? 23 BC2 3 GLY A 506 ? GLY A 506 . ? 1_555 ? 24 BC2 3 ALA A 507 ? ALA A 507 . ? 1_555 ? 25 BC3 4 GLY A 345 ? GLY A 345 . ? 1_555 ? 26 BC3 4 SER A 347 ? SER A 347 . ? 1_555 ? 27 BC3 4 ASP A 349 ? ASP A 349 . ? 1_555 ? 28 BC3 4 ASN A 350 ? ASN A 350 . ? 1_555 ? # _database_PDB_matrix.entry_id 4BDT _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 4BDT _atom_sites.fract_transf_matrix[1][1] 0.006596 _atom_sites.fract_transf_matrix[1][2] 0.003808 _atom_sites.fract_transf_matrix[1][3] 0.000000 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.007617 _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] 0.004058 _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 CL N O S # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . ASP A 1 5 ? -10.008 -10.841 -81.230 1.00 107.27 ? 5 ASP A N 1 ATOM 2 C CA . ASP A 1 5 ? -9.517 -12.061 -80.586 1.00 103.84 ? 5 ASP A CA 1 ATOM 3 C C . ASP A 1 5 ? -8.326 -12.692 -81.323 1.00 107.21 ? 5 ASP A C 1 ATOM 4 O O . ASP A 1 5 ? -7.590 -13.499 -80.750 1.00 100.61 ? 5 ASP A O 1 ATOM 5 C CB . ASP A 1 5 ? -10.646 -13.088 -80.451 1.00 98.17 ? 5 ASP A CB 1 ATOM 6 C CG . ASP A 1 5 ? -11.032 -13.711 -81.783 1.00 97.43 ? 5 ASP A CG 1 ATOM 7 O OD1 . ASP A 1 5 ? -10.437 -14.749 -82.153 1.00 89.48 ? 5 ASP A OD1 1 ATOM 8 O OD2 . ASP A 1 5 ? -11.930 -13.159 -82.460 1.00 102.77 ? 5 ASP A OD2 1 ATOM 9 N N . ALA A 1 6 ? -8.153 -12.315 -82.590 1.00 116.16 ? 6 ALA A N 1 ATOM 10 C CA . ALA A 1 6 ? -7.110 -12.865 -83.470 1.00 115.50 ? 6 ALA A CA 1 ATOM 11 C C . ALA A 1 6 ? -7.207 -14.385 -83.747 1.00 113.82 ? 6 ALA A C 1 ATOM 12 O O . ALA A 1 6 ? -7.423 -14.776 -84.899 1.00 115.18 ? 6 ALA A O 1 ATOM 13 C CB . ALA A 1 6 ? -5.702 -12.455 -83.004 1.00 111.56 ? 6 ALA A CB 1 ATOM 14 N N . GLU A 1 7 ? -7.049 -15.233 -82.720 1.00 101.51 ? 7 GLU A N 1 ATOM 15 C CA . GLU A 1 7 ? -7.182 -16.692 -82.917 1.00 85.93 ? 7 GLU A CA 1 ATOM 16 C C . GLU A 1 7 ? -7.548 -17.548 -81.679 1.00 75.53 ? 7 GLU A C 1 ATOM 17 O O . GLU A 1 7 ? -6.777 -18.383 -81.190 1.00 70.61 ? 7 GLU A O 1 ATOM 18 C CB . GLU A 1 7 ? -5.999 -17.272 -83.729 1.00 85.56 ? 7 GLU A CB 1 ATOM 19 C CG . GLU A 1 7 ? -4.688 -17.610 -82.990 1.00 77.98 ? 7 GLU A CG 1 ATOM 20 C CD . GLU A 1 7 ? -3.984 -16.423 -82.374 1.00 66.47 ? 7 GLU A CD 1 ATOM 21 O OE1 . GLU A 1 7 ? -4.621 -15.689 -81.587 1.00 59.36 ? 7 GLU A OE1 1 ATOM 22 O OE2 . GLU A 1 7 ? -2.778 -16.245 -82.666 1.00 63.01 ? 7 GLU A OE2 1 ATOM 23 N N . LEU A 1 8 ? -8.763 -17.353 -81.190 1.00 70.78 ? 8 LEU A N 1 ATOM 24 C CA . LEU A 1 8 ? -9.274 -18.207 -80.128 1.00 59.63 ? 8 LEU A CA 1 ATOM 25 C C . LEU A 1 8 ? -10.223 -19.233 -80.735 1.00 58.95 ? 8 LEU A C 1 ATOM 26 O O . LEU A 1 8 ? -10.810 -20.055 -80.027 1.00 55.37 ? 8 LEU A O 1 ATOM 27 C CB . LEU A 1 8 ? -9.983 -17.377 -79.054 1.00 57.83 ? 8 LEU A CB 1 ATOM 28 C CG . LEU A 1 8 ? -9.167 -16.289 -78.343 1.00 61.88 ? 8 LEU A CG 1 ATOM 29 C CD1 . LEU A 1 8 ? -10.042 -15.527 -77.352 1.00 67.35 ? 8 LEU A CD1 1 ATOM 30 C CD2 . LEU A 1 8 ? -7.923 -16.853 -77.655 1.00 58.58 ? 8 LEU A CD2 1 ATOM 31 N N . LEU A 1 9 ? -10.367 -19.162 -82.060 1.00 62.00 ? 9 LEU A N 1 ATOM 32 C CA . LEU A 1 9 ? -11.198 -20.086 -82.835 1.00 47.89 ? 9 LEU A CA 1 ATOM 33 C C . LEU A 1 9 ? -10.318 -21.129 -83.526 1.00 48.99 ? 9 LEU A C 1 ATOM 34 O O . LEU A 1 9 ? -9.423 -20.779 -84.297 1.00 55.12 ? 9 LEU A O 1 ATOM 35 C CB . LEU A 1 9 ? -12.012 -19.321 -83.875 1.00 44.60 ? 9 LEU A CB 1 ATOM 36 C CG . LEU A 1 9 ? -13.242 -18.493 -83.470 1.00 52.25 ? 9 LEU A CG 1 ATOM 37 C CD1 . LEU A 1 9 ? -14.244 -19.376 -82.749 1.00 57.98 ? 9 LEU A CD1 1 ATOM 38 C CD2 . LEU A 1 9 ? -12.908 -17.242 -82.641 1.00 48.65 ? 9 LEU A CD2 1 ATOM 39 N N . VAL A 1 10 ? -10.567 -22.404 -83.232 1.00 50.42 ? 10 VAL A N 1 ATOM 40 C CA . VAL A 1 10 ? -9.752 -23.507 -83.734 1.00 43.32 ? 10 VAL A CA 1 ATOM 41 C C . VAL A 1 10 ? -10.637 -24.682 -84.105 1.00 44.48 ? 10 VAL A C 1 ATOM 42 O O . VAL A 1 10 ? -11.631 -24.975 -83.436 1.00 46.94 ? 10 VAL A O 1 ATOM 43 C CB . VAL A 1 10 ? -8.697 -23.973 -82.690 1.00 41.86 ? 10 VAL A CB 1 ATOM 44 C CG1 . VAL A 1 10 ? -8.060 -25.310 -83.087 1.00 39.54 ? 10 VAL A CG1 1 ATOM 45 C CG2 . VAL A 1 10 ? -7.630 -22.940 -82.534 1.00 37.45 ? 10 VAL A CG2 1 ATOM 46 N N . THR A 1 11 ? -10.272 -25.353 -85.184 1.00 38.22 ? 11 THR A N 1 ATOM 47 C CA . THR A 1 11 ? -11.003 -26.519 -85.621 1.00 45.38 ? 11 THR A CA 1 ATOM 48 C C . THR A 1 11 ? -10.153 -27.784 -85.544 1.00 40.52 ? 11 THR A C 1 ATOM 49 O O . THR A 1 11 ? -9.160 -27.919 -86.255 1.00 43.05 ? 11 THR A O 1 ATOM 50 C CB . THR A 1 11 ? -11.514 -26.315 -87.039 1.00 51.07 ? 11 THR A CB 1 ATOM 51 O OG1 . THR A 1 11 ? -12.307 -25.118 -87.074 1.00 41.23 ? 11 THR A OG1 1 ATOM 52 C CG2 . THR A 1 11 ? -12.337 -27.514 -87.474 1.00 39.41 ? 11 THR A CG2 1 ATOM 53 N N . VAL A 1 12 ? -10.553 -28.698 -84.663 1.00 37.94 ? 12 VAL A N 1 ATOM 54 C CA . VAL A 1 12 ? -9.891 -29.991 -84.499 1.00 37.03 ? 12 VAL A CA 1 ATOM 55 C C . VAL A 1 12 ? -10.754 -31.043 -85.201 1.00 39.05 ? 12 VAL A C 1 ATOM 56 O O . VAL A 1 12 ? -11.860 -30.724 -85.624 1.00 39.22 ? 12 VAL A O 1 ATOM 57 C CB . VAL A 1 12 ? -9.730 -30.328 -83.005 1.00 41.49 ? 12 VAL A CB 1 ATOM 58 C CG1 . VAL A 1 12 ? -8.894 -29.257 -82.310 1.00 41.89 ? 12 VAL A CG1 1 ATOM 59 C CG2 . VAL A 1 12 ? -11.099 -30.458 -82.333 1.00 31.58 ? 12 VAL A CG2 1 ATOM 60 N N . ARG A 1 13 ? -10.276 -32.282 -85.321 1.00 32.68 ? 13 ARG A N 1 ATOM 61 C CA . ARG A 1 13 ? -10.993 -33.291 -86.116 1.00 40.03 ? 13 ARG A CA 1 ATOM 62 C C . ARG A 1 13 ? -12.501 -33.421 -85.822 1.00 43.24 ? 13 ARG A C 1 ATOM 63 O O . ARG A 1 13 ? -13.308 -33.507 -86.746 1.00 47.64 ? 13 ARG A O 1 ATOM 64 C CB . ARG A 1 13 ? -10.288 -34.661 -86.089 1.00 44.57 ? 13 ARG A CB 1 ATOM 65 C CG . ARG A 1 13 ? -10.760 -35.632 -87.193 1.00 59.16 ? 13 ARG A CG 1 ATOM 66 C CD . ARG A 1 13 ? -9.667 -36.622 -87.616 1.00 77.03 ? 13 ARG A CD 1 ATOM 67 N NE . ARG A 1 13 ? -10.223 -37.813 -88.261 1.00 93.70 ? 13 ARG A NE 1 ATOM 68 C CZ . ARG A 1 13 ? -9.593 -38.984 -88.370 1.00 101.78 ? 13 ARG A CZ 1 ATOM 69 N NH1 . ARG A 1 13 ? -8.368 -39.143 -87.877 1.00 103.95 ? 13 ARG A NH1 1 ATOM 70 N NH2 . ARG A 1 13 ? -10.194 -40.005 -88.970 1.00 101.08 ? 13 ARG A NH2 1 ATOM 71 N N . GLY A 1 14 ? -12.890 -33.397 -84.554 1.00 42.23 ? 14 GLY A N 1 ATOM 72 C CA . GLY A 1 14 ? -14.294 -33.540 -84.215 1.00 35.99 ? 14 GLY A CA 1 ATOM 73 C C . GLY A 1 14 ? -15.200 -32.376 -84.593 1.00 37.79 ? 14 GLY A C 1 ATOM 74 O O . GLY A 1 14 ? -16.363 -32.585 -84.916 1.00 35.43 ? 14 GLY A O 1 ATOM 75 N N . GLY A 1 15 ? -14.687 -31.150 -84.537 1.00 38.83 ? 15 GLY A N 1 ATOM 76 C CA . GLY A 1 15 ? -15.503 -29.972 -84.796 1.00 36.52 ? 15 GLY A CA 1 ATOM 77 C C . GLY A 1 15 ? -14.782 -28.689 -84.425 1.00 52.62 ? 15 GLY A C 1 ATOM 78 O O . GLY A 1 15 ? -13.587 -28.701 -84.121 1.00 44.78 ? 15 GLY A O 1 ATOM 79 N N . ARG A 1 16 ? -15.500 -27.574 -84.443 1.00 38.11 ? 16 ARG A N 1 ATOM 80 C CA . ARG A 1 16 ? -14.879 -26.295 -84.126 1.00 47.06 ? 16 ARG A CA 1 ATOM 81 C C . ARG A 1 16 ? -14.903 -26.029 -82.620 1.00 44.93 ? 16 ARG A C 1 ATOM 82 O O . ARG A 1 16 ? -15.754 -26.570 -81.903 1.00 40.80 ? 16 ARG A O 1 ATOM 83 C CB . ARG A 1 16 ? -15.582 -25.163 -84.875 1.00 50.29 ? 16 ARG A CB 1 ATOM 84 C CG . ARG A 1 16 ? -16.223 -25.597 -86.174 1.00 49.78 ? 16 ARG A CG 1 ATOM 85 C CD . ARG A 1 16 ? -16.509 -24.420 -87.092 1.00 54.84 ? 16 ARG A CD 1 ATOM 86 N NE . ARG A 1 16 ? -17.682 -23.642 -86.689 1.00 63.39 ? 16 ARG A NE 1 ATOM 87 C CZ . ARG A 1 16 ? -18.942 -24.001 -86.933 1.00 67.29 ? 16 ARG A CZ 1 ATOM 88 N NH1 . ARG A 1 16 ? -19.199 -25.145 -87.561 1.00 68.52 ? 16 ARG A NH1 1 ATOM 89 N NH2 . ARG A 1 16 ? -19.947 -23.222 -86.541 1.00 64.49 ? 16 ARG A NH2 1 ATOM 90 N N . LEU A 1 17 ? -13.964 -25.210 -82.140 1.00 41.90 ? 17 LEU A N 1 ATOM 91 C CA . LEU A 1 17 ? -13.875 -24.885 -80.711 1.00 46.56 ? 17 LEU A CA 1 ATOM 92 C C . LEU A 1 17 ? -13.732 -23.380 -80.546 1.00 51.05 ? 17 LEU A C 1 ATOM 93 O O . LEU A 1 17 ? -13.148 -22.721 -81.396 1.00 48.67 ? 17 LEU A O 1 ATOM 94 C CB . LEU A 1 17 ? -12.660 -25.557 -80.052 1.00 34.65 ? 17 LEU A CB 1 ATOM 95 C CG . LEU A 1 17 ? -12.301 -27.013 -80.344 1.00 48.78 ? 17 LEU A CG 1 ATOM 96 C CD1 . LEU A 1 17 ? -10.853 -27.322 -79.963 1.00 40.23 ? 17 LEU A CD1 1 ATOM 97 C CD2 . LEU A 1 17 ? -13.250 -27.936 -79.642 1.00 32.50 ? 17 LEU A CD2 1 ATOM 98 N N . ARG A 1 18 ? -14.253 -22.841 -79.447 1.00 55.82 ? 18 ARG A N 1 ATOM 99 C CA . ARG A 1 18 ? -14.041 -21.436 -79.098 1.00 55.78 ? 18 ARG A CA 1 ATOM 100 C C . ARG A 1 18 ? -13.345 -21.330 -77.743 1.00 56.29 ? 18 ARG A C 1 ATOM 101 O O . ARG A 1 18 ? -13.845 -21.831 -76.734 1.00 60.11 ? 18 ARG A O 1 ATOM 102 C CB . ARG A 1 18 ? -15.373 -20.690 -79.063 1.00 60.73 ? 18 ARG A CB 1 ATOM 103 C CG . ARG A 1 18 ? -15.383 -19.409 -78.229 1.00 65.56 ? 18 ARG A CG 1 ATOM 104 C CD . ARG A 1 18 ? -16.790 -18.824 -78.185 1.00 77.21 ? 18 ARG A CD 1 ATOM 105 N NE . ARG A 1 18 ? -17.803 -19.862 -78.407 1.00 91.13 ? 18 ARG A NE 1 ATOM 106 C CZ . ARG A 1 18 ? -18.727 -20.241 -77.520 1.00 94.14 ? 18 ARG A CZ 1 ATOM 107 N NH1 . ARG A 1 18 ? -18.798 -19.656 -76.325 1.00 95.15 ? 18 ARG A NH1 1 ATOM 108 N NH2 . ARG A 1 18 ? -19.592 -21.203 -77.837 1.00 88.79 ? 18 ARG A NH2 1 ATOM 109 N N . GLY A 1 19 ? -12.191 -20.674 -77.719 1.00 48.62 ? 19 GLY A N 1 ATOM 110 C CA . GLY A 1 19 ? -11.395 -20.607 -76.508 1.00 43.07 ? 19 GLY A CA 1 ATOM 111 C C . GLY A 1 19 ? -11.438 -19.274 -75.787 1.00 45.24 ? 19 GLY A C 1 ATOM 112 O O . GLY A 1 19 ? -12.319 -18.443 -76.033 1.00 47.14 ? 19 GLY A O 1 ATOM 113 N N . ILE A 1 20 ? -10.469 -19.073 -74.896 1.00 45.10 ? 20 ILE A N 1 ATOM 114 C CA . ILE A 1 20 ? -10.421 -17.886 -74.047 1.00 49.15 ? 20 ILE A CA 1 ATOM 115 C C . ILE A 1 20 ? -8.970 -17.438 -73.887 1.00 50.23 ? 20 ILE A C 1 ATOM 116 O O . ILE A 1 20 ? -8.065 -18.268 -73.841 1.00 54.00 ? 20 ILE A O 1 ATOM 117 C CB . ILE A 1 20 ? -11.072 -18.184 -72.669 1.00 42.17 ? 20 ILE A CB 1 ATOM 118 C CG1 . ILE A 1 20 ? -10.845 -17.045 -71.681 1.00 51.61 ? 20 ILE A CG1 1 ATOM 119 C CG2 . ILE A 1 20 ? -10.539 -19.478 -72.092 1.00 35.70 ? 20 ILE A CG2 1 ATOM 120 C CD1 . ILE A 1 20 ? -11.458 -17.297 -70.301 1.00 51.66 ? 20 ILE A CD1 1 ATOM 121 N N . ARG A 1 21 ? -8.734 -16.132 -73.843 1.00 44.98 ? 21 ARG A N 1 ATOM 122 C CA . ARG A 1 21 ? -7.383 -15.646 -73.610 1.00 46.56 ? 21 ARG A CA 1 ATOM 123 C C . ARG A 1 21 ? -7.124 -15.542 -72.104 1.00 49.79 ? 21 ARG A C 1 ATOM 124 O O . ARG A 1 21 ? -7.995 -15.126 -71.348 1.00 59.66 ? 21 ARG A O 1 ATOM 125 C CB . ARG A 1 21 ? -7.175 -14.297 -74.288 1.00 52.39 ? 21 ARG A CB 1 ATOM 126 C CG . ARG A 1 21 ? -5.748 -14.062 -74.726 1.00 66.20 ? 21 ARG A CG 1 ATOM 127 C CD . ARG A 1 21 ? -5.552 -12.650 -75.248 1.00 82.91 ? 21 ARG A CD 1 ATOM 128 N NE . ARG A 1 21 ? -5.341 -11.692 -74.166 1.00 100.08 ? 21 ARG A NE 1 ATOM 129 C CZ . ARG A 1 21 ? -5.137 -10.389 -74.344 1.00 109.36 ? 21 ARG A CZ 1 ATOM 130 N NH1 . ARG A 1 21 ? -5.118 -9.881 -75.572 1.00 108.46 ? 21 ARG A NH1 1 ATOM 131 N NH2 . ARG A 1 21 ? -4.953 -9.594 -73.292 1.00 112.06 ? 21 ARG A NH2 1 ATOM 132 N N . LEU A 1 22 ? -5.933 -15.928 -71.662 1.00 47.29 ? 22 LEU A N 1 ATOM 133 C CA . LEU A 1 22 ? -5.605 -15.887 -70.240 1.00 38.39 ? 22 LEU A CA 1 ATOM 134 C C . LEU A 1 22 ? -4.457 -14.934 -69.981 1.00 57.34 ? 22 LEU A C 1 ATOM 135 O O . LEU A 1 22 ? -3.438 -14.996 -70.666 1.00 57.72 ? 22 LEU A O 1 ATOM 136 C CB . LEU A 1 22 ? -5.212 -17.272 -69.738 1.00 36.16 ? 22 LEU A CB 1 ATOM 137 C CG . LEU A 1 22 ? -6.274 -18.344 -69.933 1.00 48.33 ? 22 LEU A CG 1 ATOM 138 C CD1 . LEU A 1 22 ? -5.906 -19.598 -69.166 1.00 32.98 ? 22 LEU A CD1 1 ATOM 139 C CD2 . LEU A 1 22 ? -7.629 -17.807 -69.521 1.00 35.88 ? 22 LEU A CD2 1 ATOM 140 N N . LYS A 1 23 ? -4.618 -14.062 -68.987 1.00 56.10 ? 23 LYS A N 1 ATOM 141 C CA . LYS A 1 23 ? -3.576 -13.102 -68.627 1.00 53.20 ? 23 LYS A CA 1 ATOM 142 C C . LYS A 1 23 ? -2.495 -13.788 -67.790 1.00 54.71 ? 23 LYS A C 1 ATOM 143 O O . LYS A 1 23 ? -2.794 -14.658 -66.960 1.00 44.21 ? 23 LYS A O 1 ATOM 144 C CB . LYS A 1 23 ? -4.173 -11.926 -67.845 1.00 50.15 ? 23 LYS A CB 1 ATOM 145 C CG . LYS A 1 23 ? -5.190 -11.080 -68.603 1.00 59.59 ? 23 LYS A CG 1 ATOM 146 C CD . LYS A 1 23 ? -4.518 -9.961 -69.390 1.00 70.13 ? 23 LYS A CD 1 ATOM 147 C CE . LYS A 1 23 ? -5.536 -8.961 -69.925 1.00 74.95 ? 23 LYS A CE 1 ATOM 148 N NZ . LYS A 1 23 ? -4.879 -7.745 -70.494 1.00 79.75 ? 23 LYS A NZ 1 ATOM 149 N N . THR A 1 24 ? -1.239 -13.422 -68.035 1.00 57.14 ? 24 THR A N 1 ATOM 150 C CA . THR A 1 24 ? -0.134 -13.782 -67.141 1.00 59.98 ? 24 THR A CA 1 ATOM 151 C C . THR A 1 24 ? 0.740 -12.542 -67.021 1.00 68.82 ? 24 THR A C 1 ATOM 152 O O . THR A 1 24 ? 0.635 -11.636 -67.859 1.00 71.92 ? 24 THR A O 1 ATOM 153 C CB . THR A 1 24 ? 0.724 -14.966 -67.659 1.00 60.47 ? 24 THR A CB 1 ATOM 154 O OG1 . THR A 1 24 ? 1.550 -14.531 -68.744 1.00 67.49 ? 24 THR A OG1 1 ATOM 155 C CG2 . THR A 1 24 ? -0.137 -16.141 -68.089 1.00 58.28 ? 24 THR A CG2 1 ATOM 156 N N . PRO A 1 25 ? 1.597 -12.483 -65.984 1.00 70.63 ? 25 PRO A N 1 ATOM 157 C CA . PRO A 1 25 ? 2.420 -11.281 -65.845 1.00 67.49 ? 25 PRO A CA 1 ATOM 158 C C . PRO A 1 25 ? 3.317 -11.057 -67.061 1.00 64.21 ? 25 PRO A C 1 ATOM 159 O O . PRO A 1 25 ? 3.570 -9.909 -67.412 1.00 62.67 ? 25 PRO A O 1 ATOM 160 C CB . PRO A 1 25 ? 3.257 -11.568 -64.588 1.00 70.79 ? 25 PRO A CB 1 ATOM 161 C CG . PRO A 1 25 ? 3.230 -13.041 -64.427 1.00 74.51 ? 25 PRO A CG 1 ATOM 162 C CD . PRO A 1 25 ? 1.874 -13.453 -64.910 1.00 75.83 ? 25 PRO A CD 1 ATOM 163 N N . GLY A 1 26 ? 3.758 -12.135 -67.705 1.00 66.86 ? 26 GLY A N 1 ATOM 164 C CA . GLY A 1 26 ? 4.656 -12.034 -68.846 1.00 70.37 ? 26 GLY A CA 1 ATOM 165 C C . GLY A 1 26 ? 3.989 -11.616 -70.146 1.00 72.20 ? 26 GLY A C 1 ATOM 166 O O . GLY A 1 26 ? 4.497 -10.764 -70.873 1.00 78.02 ? 26 GLY A O 1 ATOM 167 N N . GLY A 1 27 ? 2.849 -12.225 -70.443 1.00 64.09 ? 27 GLY A N 1 ATOM 168 C CA . GLY A 1 27 ? 2.125 -11.946 -71.666 1.00 56.24 ? 27 GLY A CA 1 ATOM 169 C C . GLY A 1 27 ? 0.818 -12.700 -71.625 1.00 56.01 ? 27 GLY A C 1 ATOM 170 O O . GLY A 1 27 ? 0.298 -12.976 -70.550 1.00 59.49 ? 27 GLY A O 1 ATOM 171 N N . PRO A 1 28 ? 0.272 -13.044 -72.793 1.00 55.01 ? 28 PRO A N 1 ATOM 172 C CA . PRO A 1 28 ? -0.990 -13.771 -72.777 1.00 53.51 ? 28 PRO A CA 1 ATOM 173 C C . PRO A 1 28 ? -0.829 -15.204 -73.259 1.00 49.92 ? 28 PRO A C 1 ATOM 174 O O . PRO A 1 28 ? 0.236 -15.611 -73.738 1.00 49.96 ? 28 PRO A O 1 ATOM 175 C CB . PRO A 1 28 ? -1.839 -12.988 -73.774 1.00 52.83 ? 28 PRO A CB 1 ATOM 176 C CG . PRO A 1 28 ? -0.823 -12.180 -74.610 1.00 60.27 ? 28 PRO A CG 1 ATOM 177 C CD . PRO A 1 28 ? 0.556 -12.543 -74.139 1.00 56.93 ? 28 PRO A CD 1 ATOM 178 N N . VAL A 1 29 ? -1.909 -15.960 -73.127 1.00 46.80 ? 29 VAL A N 1 ATOM 179 C CA . VAL A 1 29 ? -1.930 -17.368 -73.483 1.00 44.73 ? 29 VAL A CA 1 ATOM 180 C C . VAL A 1 29 ? -3.299 -17.680 -74.089 1.00 45.46 ? 29 VAL A C 1 ATOM 181 O O . VAL A 1 29 ? -4.310 -17.066 -73.730 1.00 38.09 ? 29 VAL A O 1 ATOM 182 C CB . VAL A 1 29 ? -1.619 -18.257 -72.245 1.00 43.76 ? 29 VAL A CB 1 ATOM 183 C CG1 . VAL A 1 29 ? -2.117 -19.676 -72.424 1.00 49.03 ? 29 VAL A CG1 1 ATOM 184 C CG2 . VAL A 1 29 ? -0.135 -18.272 -71.971 1.00 37.77 ? 29 VAL A CG2 1 ATOM 185 N N . SER A 1 30 ? -3.324 -18.591 -75.054 1.00 41.79 ? 30 SER A N 1 ATOM 186 C CA . SER A 1 30 ? -4.589 -19.040 -75.608 1.00 46.10 ? 30 SER A CA 1 ATOM 187 C C . SER A 1 30 ? -4.928 -20.399 -74.999 1.00 47.32 ? 30 SER A C 1 ATOM 188 O O . SER A 1 30 ? -4.191 -21.375 -75.178 1.00 44.59 ? 30 SER A O 1 ATOM 189 C CB . SER A 1 30 ? -4.536 -19.123 -77.144 1.00 48.13 ? 30 SER A CB 1 ATOM 190 O OG . SER A 1 30 ? -4.395 -17.849 -77.762 1.00 44.16 ? 30 SER A OG 1 ATOM 191 N N . ALA A 1 31 ? -6.034 -20.457 -74.265 1.00 34.17 ? 31 ALA A N 1 ATOM 192 C CA . ALA A 1 31 ? -6.450 -21.709 -73.653 1.00 47.63 ? 31 ALA A CA 1 ATOM 193 C C . ALA A 1 31 ? -7.771 -22.188 -74.219 1.00 46.78 ? 31 ALA A C 1 ATOM 194 O O . ALA A 1 31 ? -8.688 -21.391 -74.468 1.00 33.86 ? 31 ALA A O 1 ATOM 195 C CB . ALA A 1 31 ? -6.547 -21.571 -72.132 1.00 51.68 ? 31 ALA A CB 1 ATOM 196 N N . PHE A 1 32 ? -7.856 -23.502 -74.406 1.00 39.75 ? 32 PHE A N 1 ATOM 197 C CA . PHE A 1 32 ? -9.079 -24.147 -74.847 1.00 40.46 ? 32 PHE A CA 1 ATOM 198 C C . PHE A 1 32 ? -9.393 -25.226 -73.834 1.00 39.67 ? 32 PHE A C 1 ATOM 199 O O . PHE A 1 32 ? -8.781 -26.287 -73.860 1.00 43.91 ? 32 PHE A O 1 ATOM 200 C CB . PHE A 1 32 ? -8.882 -24.748 -76.245 1.00 31.25 ? 32 PHE A CB 1 ATOM 201 C CG . PHE A 1 32 ? -8.456 -23.737 -77.284 1.00 42.55 ? 32 PHE A CG 1 ATOM 202 C CD1 . PHE A 1 32 ? -7.115 -23.420 -77.463 1.00 41.42 ? 32 PHE A CD1 1 ATOM 203 C CD2 . PHE A 1 32 ? -9.398 -23.091 -78.076 1.00 43.43 ? 32 PHE A CD2 1 ATOM 204 C CE1 . PHE A 1 32 ? -6.718 -22.476 -78.420 1.00 39.33 ? 32 PHE A CE1 1 ATOM 205 C CE2 . PHE A 1 32 ? -9.006 -22.154 -79.036 1.00 42.99 ? 32 PHE A CE2 1 ATOM 206 C CZ . PHE A 1 32 ? -7.668 -21.842 -79.203 1.00 40.82 ? 32 PHE A CZ 1 ATOM 207 N N . LEU A 1 33 ? -10.320 -24.962 -72.922 1.00 29.78 ? 33 LEU A N 1 ATOM 208 C CA . LEU A 1 33 ? -10.561 -25.927 -71.849 1.00 43.40 ? 33 LEU A CA 1 ATOM 209 C C . LEU A 1 33 ? -11.910 -26.620 -71.940 1.00 39.63 ? 33 LEU A C 1 ATOM 210 O O . LEU A 1 33 ? -12.929 -26.007 -72.289 1.00 35.11 ? 33 LEU A O 1 ATOM 211 C CB . LEU A 1 33 ? -10.422 -25.288 -70.472 1.00 28.46 ? 33 LEU A CB 1 ATOM 212 C CG . LEU A 1 33 ? -9.743 -23.933 -70.438 1.00 36.81 ? 33 LEU A CG 1 ATOM 213 C CD1 . LEU A 1 33 ? -10.494 -23.039 -69.487 1.00 30.46 ? 33 LEU A CD1 1 ATOM 214 C CD2 . LEU A 1 33 ? -8.300 -24.090 -70.025 1.00 34.29 ? 33 LEU A CD2 1 ATOM 215 N N . GLY A 1 34 ? -11.903 -27.907 -71.603 1.00 40.08 ? 34 GLY A N 1 ATOM 216 C CA . GLY A 1 34 ? -13.110 -28.711 -71.597 1.00 44.31 ? 34 GLY A CA 1 ATOM 217 C C . GLY A 1 34 ? -13.477 -29.274 -72.957 1.00 40.87 ? 34 GLY A C 1 ATOM 218 O O . GLY A 1 34 ? -14.657 -29.331 -73.301 1.00 35.18 ? 34 GLY A O 1 ATOM 219 N N . ILE A 1 35 ? -12.471 -29.688 -73.723 1.00 27.03 ? 35 ILE A N 1 ATOM 220 C CA . ILE A 1 35 ? -12.687 -30.245 -75.052 1.00 27.43 ? 35 ILE A CA 1 ATOM 221 C C . ILE A 1 35 ? -13.081 -31.697 -74.876 1.00 42.15 ? 35 ILE A C 1 ATOM 222 O O . ILE A 1 35 ? -12.284 -32.477 -74.374 1.00 43.32 ? 35 ILE A O 1 ATOM 223 C CB . ILE A 1 35 ? -11.385 -30.187 -75.908 1.00 43.49 ? 35 ILE A CB 1 ATOM 224 C CG1 . ILE A 1 35 ? -10.842 -28.758 -76.005 1.00 43.53 ? 35 ILE A CG1 1 ATOM 225 C CG2 . ILE A 1 35 ? -11.609 -30.762 -77.299 1.00 27.86 ? 35 ILE A CG2 1 ATOM 226 C CD1 . ILE A 1 35 ? -9.501 -28.678 -76.673 1.00 28.14 ? 35 ILE A CD1 1 ATOM 227 N N . PRO A 1 36 ? -14.306 -32.075 -75.281 1.00 27.23 ? 36 PRO A N 1 ATOM 228 C CA . PRO A 1 36 ? -14.717 -33.457 -75.027 1.00 26.52 ? 36 PRO A CA 1 ATOM 229 C C . PRO A 1 36 ? -13.902 -34.394 -75.902 1.00 26.02 ? 36 PRO A C 1 ATOM 230 O O . PRO A 1 36 ? -13.773 -34.105 -77.083 1.00 26.80 ? 36 PRO A O 1 ATOM 231 C CB . PRO A 1 36 ? -16.193 -33.458 -75.439 1.00 40.28 ? 36 PRO A CB 1 ATOM 232 C CG . PRO A 1 36 ? -16.312 -32.387 -76.447 1.00 29.00 ? 36 PRO A CG 1 ATOM 233 C CD . PRO A 1 36 ? -15.298 -31.337 -76.083 1.00 40.75 ? 36 PRO A CD 1 ATOM 234 N N . PHE A 1 37 ? -13.345 -35.465 -75.344 1.00 24.85 ? 37 PHE A N 1 ATOM 235 C CA . PHE A 1 37 ? -12.480 -36.351 -76.122 1.00 30.97 ? 37 PHE A CA 1 ATOM 236 C C . PHE A 1 37 ? -12.898 -37.817 -76.088 1.00 32.75 ? 37 PHE A C 1 ATOM 237 O O . PHE A 1 37 ? -12.213 -38.688 -76.639 1.00 23.75 ? 37 PHE A O 1 ATOM 238 C CB . PHE A 1 37 ? -11.017 -36.201 -75.709 1.00 23.52 ? 37 PHE A CB 1 ATOM 239 C CG . PHE A 1 37 ? -10.706 -36.726 -74.339 1.00 30.64 ? 37 PHE A CG 1 ATOM 240 C CD1 . PHE A 1 37 ? -10.799 -35.900 -73.228 1.00 28.99 ? 37 PHE A CD1 1 ATOM 241 C CD2 . PHE A 1 37 ? -10.287 -38.036 -74.163 1.00 26.20 ? 37 PHE A CD2 1 ATOM 242 C CE1 . PHE A 1 37 ? -10.499 -36.373 -71.963 1.00 32.76 ? 37 PHE A CE1 1 ATOM 243 C CE2 . PHE A 1 37 ? -9.984 -38.517 -72.906 1.00 29.43 ? 37 PHE A CE2 1 ATOM 244 C CZ . PHE A 1 37 ? -10.089 -37.683 -71.798 1.00 34.56 ? 37 PHE A CZ 1 ATOM 245 N N . ALA A 1 38 ? -14.027 -38.080 -75.441 1.00 30.66 ? 38 ALA A N 1 ATOM 246 C CA . ALA A 1 38 ? -14.588 -39.417 -75.403 1.00 28.20 ? 38 ALA A CA 1 ATOM 247 C C . ALA A 1 38 ? -16.074 -39.286 -75.220 1.00 35.37 ? 38 ALA A C 1 ATOM 248 O O . ALA A 1 38 ? -16.561 -38.271 -74.723 1.00 25.52 ? 38 ALA A O 1 ATOM 249 C CB . ALA A 1 38 ? -14.008 -40.206 -74.265 1.00 23.07 ? 38 ALA A CB 1 ATOM 250 N N . GLU A 1 39 ? -16.796 -40.318 -75.633 1.00 43.42 ? 39 GLU A N 1 ATOM 251 C CA . GLU A 1 39 ? -18.216 -40.404 -75.345 1.00 45.60 ? 39 GLU A CA 1 ATOM 252 C C . GLU A 1 39 ? -18.389 -40.605 -73.840 1.00 45.69 ? 39 GLU A C 1 ATOM 253 O O . GLU A 1 39 ? -17.761 -41.505 -73.253 1.00 41.03 ? 39 GLU A O 1 ATOM 254 C CB . GLU A 1 39 ? -18.856 -41.555 -76.127 1.00 40.04 ? 39 GLU A CB 1 ATOM 255 C CG . GLU A 1 39 ? -18.996 -41.285 -77.606 1.00 40.84 ? 39 GLU A CG 1 ATOM 256 C CD . GLU A 1 39 ? -19.901 -40.103 -77.899 1.00 45.45 ? 39 GLU A CD 1 ATOM 257 O OE1 . GLU A 1 39 ? -21.058 -40.114 -77.437 1.00 44.48 ? 39 GLU A OE1 1 ATOM 258 O OE2 . GLU A 1 39 ? -19.456 -39.157 -78.582 1.00 52.23 ? 39 GLU A OE2 1 ATOM 259 N N . PRO A 1 40 ? -19.219 -39.749 -73.209 1.00 39.96 ? 40 PRO A N 1 ATOM 260 C CA . PRO A 1 40 ? -19.526 -39.765 -71.769 1.00 38.26 ? 40 PRO A CA 1 ATOM 261 C C . PRO A 1 40 ? -19.795 -41.167 -71.255 1.00 35.80 ? 40 PRO A C 1 ATOM 262 O O . PRO A 1 40 ? -20.730 -41.802 -71.733 1.00 48.13 ? 40 PRO A O 1 ATOM 263 C CB . PRO A 1 40 ? -20.795 -38.905 -71.662 1.00 27.40 ? 40 PRO A CB 1 ATOM 264 C CG . PRO A 1 40 ? -21.125 -38.455 -73.083 1.00 31.98 ? 40 PRO A CG 1 ATOM 265 C CD . PRO A 1 40 ? -19.872 -38.616 -73.882 1.00 31.42 ? 40 PRO A CD 1 ATOM 266 N N . PRO A 1 41 ? -18.974 -41.644 -70.304 1.00 33.22 ? 41 PRO A N 1 ATOM 267 C CA . PRO A 1 41 ? -18.987 -43.023 -69.796 1.00 37.11 ? 41 PRO A CA 1 ATOM 268 C C . PRO A 1 41 ? -20.036 -43.278 -68.715 1.00 36.75 ? 41 PRO A C 1 ATOM 269 O O . PRO A 1 41 ? -19.711 -43.554 -67.561 1.00 43.43 ? 41 PRO A O 1 ATOM 270 C CB . PRO A 1 41 ? -17.563 -43.214 -69.246 1.00 23.16 ? 41 PRO A CB 1 ATOM 271 C CG . PRO A 1 41 ? -16.987 -41.844 -69.113 1.00 22.80 ? 41 PRO A CG 1 ATOM 272 C CD . PRO A 1 41 ? -17.953 -40.826 -69.631 1.00 23.85 ? 41 PRO A CD 1 ATOM 273 N N . MET A 1 42 ? -21.296 -43.211 -69.124 1.00 34.13 ? 42 MET A N 1 ATOM 274 C CA . MET A 1 42 ? -22.432 -43.310 -68.229 1.00 38.61 ? 42 MET A CA 1 ATOM 275 C C . MET A 1 42 ? -23.327 -44.463 -68.640 1.00 44.80 ? 42 MET A C 1 ATOM 276 O O . MET A 1 42 ? -23.091 -45.101 -69.661 1.00 54.53 ? 42 MET A O 1 ATOM 277 C CB . MET A 1 42 ? -23.226 -42.022 -68.309 1.00 28.15 ? 42 MET A CB 1 ATOM 278 C CG . MET A 1 42 ? -22.354 -40.800 -68.232 1.00 38.43 ? 42 MET A CG 1 ATOM 279 S SD . MET A 1 42 ? -23.365 -39.331 -68.121 1.00 72.30 ? 42 MET A SD 1 ATOM 280 C CE . MET A 1 42 ? -24.628 -39.704 -69.332 1.00 30.25 ? 42 MET A CE 1 ATOM 281 N N . GLY A 1 43 ? -24.364 -44.712 -67.850 1.00 41.18 ? 43 GLY A N 1 ATOM 282 C CA . GLY A 1 43 ? -25.292 -45.796 -68.113 1.00 39.52 ? 43 GLY A CA 1 ATOM 283 C C . GLY A 1 43 ? -24.587 -47.088 -68.473 1.00 42.81 ? 43 GLY A C 1 ATOM 284 O O . GLY A 1 43 ? -23.804 -47.630 -67.689 1.00 44.93 ? 43 GLY A O 1 ATOM 285 N N . PRO A 1 44 ? -24.816 -47.562 -69.700 1.00 41.14 ? 44 PRO A N 1 ATOM 286 C CA . PRO A 1 44 ? -24.280 -48.849 -70.141 1.00 39.37 ? 44 PRO A CA 1 ATOM 287 C C . PRO A 1 44 ? -22.778 -48.776 -70.275 1.00 40.01 ? 44 PRO A C 1 ATOM 288 O O . PRO A 1 44 ? -22.123 -49.803 -70.400 1.00 41.56 ? 44 PRO A O 1 ATOM 289 C CB . PRO A 1 44 ? -24.898 -49.030 -71.533 1.00 38.58 ? 44 PRO A CB 1 ATOM 290 C CG . PRO A 1 44 ? -25.964 -47.958 -71.658 1.00 37.45 ? 44 PRO A CG 1 ATOM 291 C CD . PRO A 1 44 ? -25.503 -46.848 -70.787 1.00 37.84 ? 44 PRO A CD 1 ATOM 292 N N . ARG A 1 45 ? -22.248 -47.560 -70.251 1.00 44.26 ? 45 ARG A N 1 ATOM 293 C CA . ARG A 1 45 ? -20.862 -47.316 -70.608 1.00 46.00 ? 45 ARG A CA 1 ATOM 294 C C . ARG A 1 45 ? -19.970 -47.200 -69.392 1.00 50.22 ? 45 ARG A C 1 ATOM 295 O O . ARG A 1 45 ? -18.746 -47.160 -69.524 1.00 52.39 ? 45 ARG A O 1 ATOM 296 C CB . ARG A 1 45 ? -20.761 -46.055 -71.466 1.00 48.82 ? 45 ARG A CB 1 ATOM 297 C CG . ARG A 1 45 ? -21.227 -46.272 -72.889 1.00 47.46 ? 45 ARG A CG 1 ATOM 298 C CD . ARG A 1 45 ? -21.254 -45.001 -73.704 1.00 48.36 ? 45 ARG A CD 1 ATOM 299 N NE . ARG A 1 45 ? -21.178 -45.325 -75.125 1.00 59.24 ? 45 ARG A NE 1 ATOM 300 C CZ . ARG A 1 45 ? -22.205 -45.748 -75.859 1.00 65.55 ? 45 ARG A CZ 1 ATOM 301 N NH1 . ARG A 1 45 ? -23.408 -45.894 -75.310 1.00 64.98 ? 45 ARG A NH1 1 ATOM 302 N NH2 . ARG A 1 45 ? -22.029 -46.027 -77.148 1.00 67.06 ? 45 ARG A NH2 1 ATOM 303 N N . ARG A 1 46 ? -20.589 -47.139 -68.214 1.00 49.14 ? 46 ARG A N 1 ATOM 304 C CA . ARG A 1 46 ? -19.859 -47.166 -66.948 1.00 39.41 ? 46 ARG A CA 1 ATOM 305 C C . ARG A 1 46 ? -18.995 -48.439 -66.873 1.00 34.70 ? 46 ARG A C 1 ATOM 306 O O . ARG A 1 46 ? -19.421 -49.523 -67.293 1.00 38.74 ? 46 ARG A O 1 ATOM 307 C CB . ARG A 1 46 ? -20.841 -47.093 -65.770 1.00 38.67 ? 46 ARG A CB 1 ATOM 308 C CG . ARG A 1 46 ? -20.189 -46.856 -64.401 1.00 41.47 ? 46 ARG A CG 1 ATOM 309 C CD . ARG A 1 46 ? -21.136 -47.167 -63.235 1.00 40.92 ? 46 ARG A CD 1 ATOM 310 N NE . ARG A 1 46 ? -21.805 -45.981 -62.699 1.00 37.15 ? 46 ARG A NE 1 ATOM 311 C CZ . ARG A 1 46 ? -22.789 -46.017 -61.803 1.00 36.69 ? 46 ARG A CZ 1 ATOM 312 N NH1 . ARG A 1 46 ? -23.230 -47.184 -61.341 1.00 36.63 ? 46 ARG A NH1 1 ATOM 313 N NH2 . ARG A 1 46 ? -23.336 -44.887 -61.369 1.00 34.09 ? 46 ARG A NH2 1 ATOM 314 N N . PHE A 1 47 ? -17.773 -48.285 -66.368 1.00 24.89 ? 47 PHE A N 1 ATOM 315 C CA . PHE A 1 47 ? -16.808 -49.379 -66.209 1.00 25.01 ? 47 PHE A CA 1 ATOM 316 C C . PHE A 1 47 ? -16.199 -49.827 -67.537 1.00 31.94 ? 47 PHE A C 1 ATOM 317 O O . PHE A 1 47 ? -15.226 -50.581 -67.536 1.00 37.52 ? 47 PHE A O 1 ATOM 318 C CB . PHE A 1 47 ? -17.399 -50.603 -65.481 1.00 26.40 ? 47 PHE A CB 1 ATOM 319 C CG . PHE A 1 47 ? -18.091 -50.286 -64.172 1.00 33.76 ? 47 PHE A CG 1 ATOM 320 C CD1 . PHE A 1 47 ? -17.469 -49.531 -63.196 1.00 32.41 ? 47 PHE A CD1 1 ATOM 321 C CD2 . PHE A 1 47 ? -19.372 -50.766 -63.917 1.00 42.35 ? 47 PHE A CD2 1 ATOM 322 C CE1 . PHE A 1 47 ? -18.117 -49.253 -61.999 1.00 31.95 ? 47 PHE A CE1 1 ATOM 323 C CE2 . PHE A 1 47 ? -20.021 -50.491 -62.716 1.00 38.89 ? 47 PHE A CE2 1 ATOM 324 C CZ . PHE A 1 47 ? -19.394 -49.736 -61.764 1.00 33.10 ? 47 PHE A CZ 1 ATOM 325 N N . LEU A 1 48 ? -16.766 -49.372 -68.657 1.00 35.88 ? 48 LEU A N 1 ATOM 326 C CA . LEU A 1 48 ? -16.284 -49.738 -69.998 1.00 23.14 ? 48 LEU A CA 1 ATOM 327 C C . LEU A 1 48 ? -15.245 -48.755 -70.508 1.00 33.55 ? 48 LEU A C 1 ATOM 328 O O . LEU A 1 48 ? -15.340 -47.556 -70.232 1.00 31.34 ? 48 LEU A O 1 ATOM 329 C CB . LEU A 1 48 ? -17.435 -49.759 -71.009 1.00 24.37 ? 48 LEU A CB 1 ATOM 330 C CG . LEU A 1 48 ? -18.478 -50.868 -70.975 1.00 25.56 ? 48 LEU A CG 1 ATOM 331 C CD1 . LEU A 1 48 ? -19.496 -50.647 -72.050 1.00 26.77 ? 48 LEU A CD1 1 ATOM 332 C CD2 . LEU A 1 48 ? -17.821 -52.216 -71.119 1.00 34.81 ? 48 LEU A CD2 1 ATOM 333 N N . PRO A 1 49 ? -14.271 -49.252 -71.292 1.00 32.24 ? 49 PRO A N 1 ATOM 334 C CA . PRO A 1 49 ? -13.257 -48.401 -71.916 1.00 41.06 ? 49 PRO A CA 1 ATOM 335 C C . PRO A 1 49 ? -13.906 -47.273 -72.702 1.00 46.09 ? 49 PRO A C 1 ATOM 336 O O . PRO A 1 49 ? -15.029 -47.417 -73.209 1.00 50.24 ? 49 PRO A O 1 ATOM 337 C CB . PRO A 1 49 ? -12.556 -49.349 -72.882 1.00 21.64 ? 49 PRO A CB 1 ATOM 338 C CG . PRO A 1 49 ? -12.766 -50.662 -72.323 1.00 21.89 ? 49 PRO A CG 1 ATOM 339 C CD . PRO A 1 49 ? -14.120 -50.654 -71.704 1.00 22.79 ? 49 PRO A CD 1 ATOM 340 N N . PRO A 1 50 ? -13.204 -46.145 -72.806 1.00 33.44 ? 50 PRO A N 1 ATOM 341 C CA . PRO A 1 50 ? -13.752 -44.969 -73.475 1.00 28.58 ? 50 PRO A CA 1 ATOM 342 C C . PRO A 1 50 ? -13.878 -45.175 -74.986 1.00 29.89 ? 50 PRO A C 1 ATOM 343 O O . PRO A 1 50 ? -12.979 -45.747 -75.622 1.00 26.30 ? 50 PRO A O 1 ATOM 344 C CB . PRO A 1 50 ? -12.714 -43.898 -73.168 1.00 25.12 ? 50 PRO A CB 1 ATOM 345 C CG . PRO A 1 50 ? -11.447 -44.645 -73.002 1.00 28.87 ? 50 PRO A CG 1 ATOM 346 C CD . PRO A 1 50 ? -11.814 -45.942 -72.370 1.00 23.06 ? 50 PRO A CD 1 ATOM 347 N N . GLU A 1 51 ? -15.005 -44.731 -75.538 1.00 32.97 ? 51 GLU A N 1 ATOM 348 C CA . GLU A 1 51 ? -15.211 -44.662 -76.979 1.00 36.24 ? 51 GLU A CA 1 ATOM 349 C C . GLU A 1 51 ? -14.944 -43.228 -77.425 1.00 40.29 ? 51 GLU A C 1 ATOM 350 O O . GLU A 1 51 ? -15.312 -42.286 -76.711 1.00 24.91 ? 51 GLU A O 1 ATOM 351 C CB . GLU A 1 51 ? -16.643 -45.060 -77.329 1.00 40.19 ? 51 GLU A CB 1 ATOM 352 C CG . GLU A 1 51 ? -16.941 -46.540 -77.153 1.00 46.51 ? 51 GLU A CG 1 ATOM 353 C CD . GLU A 1 51 ? -18.436 -46.860 -77.196 1.00 58.80 ? 51 GLU A CD 1 ATOM 354 O OE1 . GLU A 1 51 ? -19.150 -46.370 -78.113 1.00 60.46 ? 51 GLU A OE1 1 ATOM 355 O OE2 . GLU A 1 51 ? -18.893 -47.610 -76.298 1.00 60.42 ? 51 GLU A OE2 1 ATOM 356 N N . PRO A 1 52 ? -14.308 -43.052 -78.605 1.00 36.07 ? 52 PRO A N 1 ATOM 357 C CA . PRO A 1 52 ? -13.896 -41.699 -78.989 1.00 35.29 ? 52 PRO A CA 1 ATOM 358 C C . PRO A 1 52 ? -15.094 -40.823 -79.304 1.00 34.48 ? 52 PRO A C 1 ATOM 359 O O . PRO A 1 52 ? -16.117 -41.312 -79.782 1.00 27.62 ? 52 PRO A O 1 ATOM 360 C CB . PRO A 1 52 ? -13.014 -41.923 -80.227 1.00 25.88 ? 52 PRO A CB 1 ATOM 361 C CG . PRO A 1 52 ? -12.671 -43.379 -80.219 1.00 25.53 ? 52 PRO A CG 1 ATOM 362 C CD . PRO A 1 52 ? -13.874 -44.045 -79.601 1.00 33.06 ? 52 PRO A CD 1 ATOM 363 N N . LYS A 1 53 ? -14.956 -39.540 -78.992 1.00 29.54 ? 53 LYS A N 1 ATOM 364 C CA . LYS A 1 53 ? -16.036 -38.581 -79.110 1.00 31.56 ? 53 LYS A CA 1 ATOM 365 C C . LYS A 1 53 ? -16.435 -38.456 -80.571 1.00 42.13 ? 53 LYS A C 1 ATOM 366 O O . LYS A 1 53 ? -15.590 -38.228 -81.445 1.00 48.58 ? 53 LYS A O 1 ATOM 367 C CB . LYS A 1 53 ? -15.587 -37.227 -78.549 1.00 36.89 ? 53 LYS A CB 1 ATOM 368 C CG . LYS A 1 53 ? -16.606 -36.104 -78.635 1.00 28.69 ? 53 LYS A CG 1 ATOM 369 C CD . LYS A 1 53 ? -17.911 -36.536 -78.055 1.00 29.09 ? 53 LYS A CD 1 ATOM 370 C CE . LYS A 1 53 ? -18.870 -35.384 -77.919 1.00 31.78 ? 53 LYS A CE 1 ATOM 371 N NZ . LYS A 1 53 ? -20.102 -35.784 -77.174 1.00 35.71 ? 53 LYS A NZ 1 ATOM 372 N N . GLN A 1 54 ? -17.724 -38.640 -80.836 1.00 44.48 ? 54 GLN A N 1 ATOM 373 C CA . GLN A 1 54 ? -18.253 -38.489 -82.178 1.00 46.44 ? 54 GLN A CA 1 ATOM 374 C C . GLN A 1 54 ? -18.181 -37.015 -82.502 1.00 43.40 ? 54 GLN A C 1 ATOM 375 O O . GLN A 1 54 ? -18.206 -36.179 -81.594 1.00 32.03 ? 54 GLN A O 1 ATOM 376 C CB . GLN A 1 54 ? -19.697 -38.991 -82.254 1.00 58.58 ? 54 GLN A CB 1 ATOM 377 C CG . GLN A 1 54 ? -19.880 -40.424 -81.755 1.00 67.97 ? 54 GLN A CG 1 ATOM 378 C CD . GLN A 1 54 ? -21.317 -40.921 -81.855 1.00 72.44 ? 54 GLN A CD 1 ATOM 379 O OE1 . GLN A 1 54 ? -22.130 -40.361 -82.596 1.00 81.15 ? 54 GLN A OE1 1 ATOM 380 N NE2 . GLN A 1 54 ? -21.632 -41.981 -81.107 1.00 63.58 ? 54 GLN A NE2 1 ATOM 381 N N . PRO A 1 55 ? -18.067 -36.686 -83.799 1.00 43.28 ? 55 PRO A N 1 ATOM 382 C CA . PRO A 1 55 ? -17.876 -35.289 -84.196 1.00 41.30 ? 55 PRO A CA 1 ATOM 383 C C . PRO A 1 55 ? -19.185 -34.520 -84.150 1.00 41.68 ? 55 PRO A C 1 ATOM 384 O O . PRO A 1 55 ? -20.254 -35.127 -84.240 1.00 36.42 ? 55 PRO A O 1 ATOM 385 C CB . PRO A 1 55 ? -17.330 -35.402 -85.622 1.00 35.26 ? 55 PRO A CB 1 ATOM 386 C CG . PRO A 1 55 ? -16.843 -36.813 -85.736 1.00 40.62 ? 55 PRO A CG 1 ATOM 387 C CD . PRO A 1 55 ? -17.823 -37.595 -84.926 1.00 42.68 ? 55 PRO A CD 1 ATOM 388 N N . TRP A 1 56 ? -19.087 -33.201 -84.005 1.00 40.46 ? 56 TRP A N 1 ATOM 389 C CA . TRP A 1 56 ? -20.238 -32.377 -83.666 1.00 37.38 ? 56 TRP A CA 1 ATOM 390 C C . TRP A 1 56 ? -20.506 -31.241 -84.650 1.00 52.87 ? 56 TRP A C 1 ATOM 391 O O . TRP A 1 56 ? -19.589 -30.647 -85.239 1.00 51.88 ? 56 TRP A O 1 ATOM 392 C CB . TRP A 1 56 ? -20.084 -31.813 -82.242 1.00 42.74 ? 56 TRP A CB 1 ATOM 393 C CG . TRP A 1 56 ? -18.850 -30.932 -82.019 1.00 42.65 ? 56 TRP A CG 1 ATOM 394 C CD1 . TRP A 1 56 ? -18.766 -29.577 -82.204 1.00 44.92 ? 56 TRP A CD1 1 ATOM 395 C CD2 . TRP A 1 56 ? -17.554 -31.347 -81.549 1.00 34.12 ? 56 TRP A CD2 1 ATOM 396 N NE1 . TRP A 1 56 ? -17.500 -29.130 -81.893 1.00 42.25 ? 56 TRP A NE1 1 ATOM 397 C CE2 . TRP A 1 56 ? -16.739 -30.196 -81.491 1.00 43.53 ? 56 TRP A CE2 1 ATOM 398 C CE3 . TRP A 1 56 ? -17.002 -32.577 -81.183 1.00 38.97 ? 56 TRP A CE3 1 ATOM 399 C CZ2 . TRP A 1 56 ? -15.408 -30.242 -81.083 1.00 33.05 ? 56 TRP A CZ2 1 ATOM 400 C CZ3 . TRP A 1 56 ? -15.673 -32.616 -80.781 1.00 37.22 ? 56 TRP A CZ3 1 ATOM 401 C CH2 . TRP A 1 56 ? -14.894 -31.457 -80.740 1.00 31.61 ? 56 TRP A CH2 1 ATOM 402 N N . SER A 1 57 ? -21.785 -30.952 -84.829 1.00 51.92 ? 57 SER A N 1 ATOM 403 C CA . SER A 1 57 ? -22.177 -29.723 -85.477 1.00 53.70 ? 57 SER A CA 1 ATOM 404 C C . SER A 1 57 ? -21.998 -28.631 -84.440 1.00 59.04 ? 57 SER A C 1 ATOM 405 O O . SER A 1 57 ? -22.118 -28.887 -83.236 1.00 65.80 ? 57 SER A O 1 ATOM 406 C CB . SER A 1 57 ? -23.635 -29.800 -85.939 1.00 58.08 ? 57 SER A CB 1 ATOM 407 O OG . SER A 1 57 ? -24.451 -30.446 -84.973 1.00 59.37 ? 57 SER A OG 1 ATOM 408 N N . GLY A 1 58 ? -21.687 -27.423 -84.899 1.00 56.50 ? 58 GLY A N 1 ATOM 409 C CA . GLY A 1 58 ? -21.630 -26.262 -84.024 1.00 49.25 ? 58 GLY A CA 1 ATOM 410 C C . GLY A 1 58 ? -20.242 -25.888 -83.542 1.00 46.64 ? 58 GLY A C 1 ATOM 411 O O . GLY A 1 58 ? -19.252 -26.562 -83.857 1.00 47.36 ? 58 GLY A O 1 ATOM 412 N N . VAL A 1 59 ? -20.173 -24.797 -82.785 1.00 47.83 ? 59 VAL A N 1 ATOM 413 C CA . VAL A 1 59 ? -18.932 -24.389 -82.129 1.00 52.30 ? 59 VAL A CA 1 ATOM 414 C C . VAL A 1 59 ? -18.939 -24.718 -80.619 1.00 50.27 ? 59 VAL A C 1 ATOM 415 O O . VAL A 1 59 ? -19.688 -24.121 -79.843 1.00 51.06 ? 59 VAL A O 1 ATOM 416 C CB . VAL A 1 59 ? -18.604 -22.887 -82.378 1.00 54.23 ? 59 VAL A CB 1 ATOM 417 C CG1 . VAL A 1 59 ? -19.848 -21.999 -82.204 1.00 60.09 ? 59 VAL A CG1 1 ATOM 418 C CG2 . VAL A 1 59 ? -17.466 -22.436 -81.470 1.00 51.11 ? 59 VAL A CG2 1 ATOM 419 N N . VAL A 1 60 ? -18.105 -25.680 -80.223 1.00 46.02 ? 60 VAL A N 1 ATOM 420 C CA . VAL A 1 60 ? -18.010 -26.118 -78.828 1.00 46.92 ? 60 VAL A CA 1 ATOM 421 C C . VAL A 1 60 ? -17.415 -25.031 -77.909 1.00 50.42 ? 60 VAL A C 1 ATOM 422 O O . VAL A 1 60 ? -16.425 -24.378 -78.262 1.00 52.70 ? 60 VAL A O 1 ATOM 423 C CB . VAL A 1 60 ? -17.232 -27.460 -78.701 1.00 34.71 ? 60 VAL A CB 1 ATOM 424 C CG1 . VAL A 1 60 ? -16.125 -27.351 -77.696 1.00 34.00 ? 60 VAL A CG1 1 ATOM 425 C CG2 . VAL A 1 60 ? -18.164 -28.588 -78.307 1.00 34.19 ? 60 VAL A CG2 1 ATOM 426 N N . ASP A 1 61 ? -18.043 -24.832 -76.747 1.00 47.80 ? 61 ASP A N 1 ATOM 427 C CA . ASP A 1 61 ? -17.630 -23.804 -75.806 1.00 36.62 ? 61 ASP A CA 1 ATOM 428 C C . ASP A 1 61 ? -16.421 -24.296 -75.042 1.00 45.75 ? 61 ASP A C 1 ATOM 429 O O . ASP A 1 61 ? -16.550 -25.093 -74.117 1.00 54.07 ? 61 ASP A O 1 ATOM 430 C CB . ASP A 1 61 ? -18.768 -23.494 -74.833 1.00 68.00 ? 61 ASP A CB 1 ATOM 431 C CG . ASP A 1 61 ? -18.461 -22.310 -73.922 1.00 69.63 ? 61 ASP A CG 1 ATOM 432 O OD1 . ASP A 1 61 ? -17.270 -21.987 -73.730 1.00 67.83 ? 61 ASP A OD1 1 ATOM 433 O OD2 . ASP A 1 61 ? -19.417 -21.698 -73.389 1.00 71.48 ? 61 ASP A OD2 1 ATOM 434 N N . ALA A 1 62 ? -15.242 -23.814 -75.411 1.00 36.86 ? 62 ALA A N 1 ATOM 435 C CA . ALA A 1 62 ? -14.021 -24.271 -74.758 1.00 34.74 ? 62 ALA A CA 1 ATOM 436 C C . ALA A 1 62 ? -13.420 -23.162 -73.914 1.00 36.88 ? 62 ALA A C 1 ATOM 437 O O . ALA A 1 62 ? -12.198 -23.071 -73.769 1.00 35.01 ? 62 ALA A O 1 ATOM 438 C CB . ALA A 1 62 ? -13.019 -24.768 -75.781 1.00 38.38 ? 62 ALA A CB 1 ATOM 439 N N . THR A 1 63 ? -14.292 -22.332 -73.350 1.00 38.77 ? 63 THR A N 1 ATOM 440 C CA . THR A 1 63 ? -13.877 -21.202 -72.532 1.00 47.45 ? 63 THR A CA 1 ATOM 441 C C . THR A 1 63 ? -13.753 -21.545 -71.049 1.00 53.71 ? 63 THR A C 1 ATOM 442 O O . THR A 1 63 ? -13.379 -20.698 -70.235 1.00 54.75 ? 63 THR A O 1 ATOM 443 C CB . THR A 1 63 ? -14.887 -20.052 -72.647 1.00 53.66 ? 63 THR A CB 1 ATOM 444 O OG1 . THR A 1 63 ? -16.150 -20.466 -72.110 1.00 54.44 ? 63 THR A OG1 1 ATOM 445 C CG2 . THR A 1 63 ? -15.070 -19.663 -74.093 1.00 61.01 ? 63 THR A CG2 1 ATOM 446 N N . THR A 1 64 ? -14.069 -22.779 -70.682 1.00 52.38 ? 64 THR A N 1 ATOM 447 C CA . THR A 1 64 ? -14.165 -23.079 -69.268 1.00 44.07 ? 64 THR A CA 1 ATOM 448 C C . THR A 1 64 ? -14.039 -24.557 -68.954 1.00 36.74 ? 64 THR A C 1 ATOM 449 O O . THR A 1 64 ? -14.546 -25.388 -69.697 1.00 41.53 ? 64 THR A O 1 ATOM 450 C CB . THR A 1 64 ? -15.494 -22.581 -68.731 1.00 44.85 ? 64 THR A CB 1 ATOM 451 O OG1 . THR A 1 64 ? -15.585 -22.918 -67.345 1.00 54.31 ? 64 THR A OG1 1 ATOM 452 C CG2 . THR A 1 64 ? -16.661 -23.212 -69.518 1.00 38.49 ? 64 THR A CG2 1 ATOM 453 N N . PHE A 1 65 ? -13.372 -24.860 -67.838 1.00 37.53 ? 65 PHE A N 1 ATOM 454 C CA . PHE A 1 65 ? -13.127 -26.231 -67.360 1.00 39.46 ? 65 PHE A CA 1 ATOM 455 C C . PHE A 1 65 ? -14.408 -27.035 -67.166 1.00 44.98 ? 65 PHE A C 1 ATOM 456 O O . PHE A 1 65 ? -15.311 -26.613 -66.437 1.00 46.06 ? 65 PHE A O 1 ATOM 457 C CB . PHE A 1 65 ? -12.403 -26.221 -66.008 1.00 37.04 ? 65 PHE A CB 1 ATOM 458 C CG . PHE A 1 65 ? -10.948 -25.843 -66.074 1.00 39.63 ? 65 PHE A CG 1 ATOM 459 C CD1 . PHE A 1 65 ? -9.998 -26.751 -66.512 1.00 25.75 ? 65 PHE A CD1 1 ATOM 460 C CD2 . PHE A 1 65 ? -10.524 -24.591 -65.648 1.00 44.69 ? 65 PHE A CD2 1 ATOM 461 C CE1 . PHE A 1 65 ? -8.652 -26.404 -66.556 1.00 35.74 ? 65 PHE A CE1 1 ATOM 462 C CE2 . PHE A 1 65 ? -9.181 -24.241 -65.690 1.00 48.45 ? 65 PHE A CE2 1 ATOM 463 C CZ . PHE A 1 65 ? -8.243 -25.152 -66.143 1.00 41.74 ? 65 PHE A CZ 1 ATOM 464 N N . GLN A 1 66 ? -14.468 -28.210 -67.788 1.00 46.19 ? 66 GLN A N 1 ATOM 465 C CA . GLN A 1 66 ? -15.614 -29.097 -67.619 1.00 44.49 ? 66 GLN A CA 1 ATOM 466 C C . GLN A 1 66 ? -15.608 -29.822 -66.264 1.00 37.64 ? 66 GLN A C 1 ATOM 467 O O . GLN A 1 66 ? -14.590 -29.855 -65.561 1.00 37.75 ? 66 GLN A O 1 ATOM 468 C CB . GLN A 1 66 ? -15.711 -30.084 -68.782 1.00 26.71 ? 66 GLN A CB 1 ATOM 469 C CG . GLN A 1 66 ? -16.798 -29.730 -69.775 1.00 29.45 ? 66 GLN A CG 1 ATOM 470 C CD . GLN A 1 66 ? -18.191 -29.805 -69.173 1.00 43.93 ? 66 GLN A CD 1 ATOM 471 O OE1 . GLN A 1 66 ? -18.619 -30.857 -68.685 1.00 54.90 ? 66 GLN A OE1 1 ATOM 472 N NE2 . GLN A 1 66 ? -18.905 -28.685 -69.196 1.00 44.07 ? 66 GLN A NE2 1 ATOM 473 N N . SER A 1 67 ? -16.749 -30.399 -65.903 1.00 34.25 ? 67 SER A N 1 ATOM 474 C CA . SER A 1 67 ? -16.923 -30.965 -64.572 1.00 40.04 ? 67 SER A CA 1 ATOM 475 C C . SER A 1 67 ? -15.923 -32.090 -64.250 1.00 37.86 ? 67 SER A C 1 ATOM 476 O O . SER A 1 67 ? -15.497 -32.838 -65.136 1.00 30.15 ? 67 SER A O 1 ATOM 477 C CB . SER A 1 67 ? -18.370 -31.417 -64.372 1.00 39.76 ? 67 SER A CB 1 ATOM 478 O OG . SER A 1 67 ? -18.741 -32.362 -65.352 1.00 43.77 ? 67 SER A OG 1 ATOM 479 N N . VAL A 1 68 ? -15.555 -32.171 -62.970 1.00 37.57 ? 68 VAL A N 1 ATOM 480 C CA . VAL A 1 68 ? -14.572 -33.116 -62.445 1.00 33.21 ? 68 VAL A CA 1 ATOM 481 C C . VAL A 1 68 ? -15.145 -34.534 -62.355 1.00 34.83 ? 68 VAL A C 1 ATOM 482 O O . VAL A 1 68 ? -16.313 -34.708 -61.994 1.00 29.63 ? 68 VAL A O 1 ATOM 483 C CB . VAL A 1 68 ? -14.112 -32.666 -61.031 1.00 30.39 ? 68 VAL A CB 1 ATOM 484 C CG1 . VAL A 1 68 ? -13.208 -33.696 -60.374 1.00 24.92 ? 68 VAL A CG1 1 ATOM 485 C CG2 . VAL A 1 68 ? -13.421 -31.319 -61.098 1.00 38.24 ? 68 VAL A CG2 1 ATOM 486 N N . CYS A 1 69 ? -14.323 -35.533 -62.692 1.00 36.81 ? 69 CYS A N 1 ATOM 487 C CA . CYS A 1 69 ? -14.698 -36.948 -62.602 1.00 34.52 ? 69 CYS A CA 1 ATOM 488 C C . CYS A 1 69 ? -15.179 -37.327 -61.223 1.00 38.99 ? 69 CYS A C 1 ATOM 489 O O . CYS A 1 69 ? -14.682 -36.799 -60.233 1.00 50.93 ? 69 CYS A O 1 ATOM 490 C CB . CYS A 1 69 ? -13.519 -37.840 -62.982 1.00 36.29 ? 69 CYS A CB 1 ATOM 491 S SG . CYS A 1 69 ? -13.318 -38.088 -64.750 1.00 44.69 ? 69 CYS A SG 1 ATOM 492 N N . TYR A 1 70 ? -16.130 -38.253 -61.151 1.00 35.94 ? 70 TYR A N 1 ATOM 493 C CA . TYR A 1 70 ? -16.759 -38.569 -59.867 1.00 39.25 ? 70 TYR A CA 1 ATOM 494 C C . TYR A 1 70 ? -15.764 -39.228 -58.910 1.00 50.95 ? 70 TYR A C 1 ATOM 495 O O . TYR A 1 70 ? -15.059 -40.186 -59.266 1.00 60.37 ? 70 TYR A O 1 ATOM 496 C CB . TYR A 1 70 ? -18.005 -39.435 -60.059 1.00 34.20 ? 70 TYR A CB 1 ATOM 497 C CG . TYR A 1 70 ? -19.136 -39.165 -59.074 1.00 39.86 ? 70 TYR A CG 1 ATOM 498 C CD1 . TYR A 1 70 ? -20.097 -38.194 -59.325 1.00 39.85 ? 70 TYR A CD1 1 ATOM 499 C CD2 . TYR A 1 70 ? -19.256 -39.908 -57.906 1.00 47.25 ? 70 TYR A CD2 1 ATOM 500 C CE1 . TYR A 1 70 ? -21.136 -37.967 -58.427 1.00 49.35 ? 70 TYR A CE1 1 ATOM 501 C CE2 . TYR A 1 70 ? -20.289 -39.689 -57.000 1.00 46.35 ? 70 TYR A CE2 1 ATOM 502 C CZ . TYR A 1 70 ? -21.229 -38.721 -57.256 1.00 52.04 ? 70 TYR A CZ 1 ATOM 503 O OH . TYR A 1 70 ? -22.259 -38.514 -56.337 1.00 53.27 ? 70 TYR A OH 1 ATOM 504 N N . GLN A 1 71 ? -15.704 -38.689 -57.695 1.00 45.36 ? 71 GLN A N 1 ATOM 505 C CA . GLN A 1 71 ? -14.708 -39.108 -56.723 1.00 39.99 ? 71 GLN A CA 1 ATOM 506 C C . GLN A 1 71 ? -15.144 -38.839 -55.277 1.00 41.29 ? 71 GLN A C 1 ATOM 507 O O . GLN A 1 71 ? -16.120 -38.131 -55.029 1.00 38.42 ? 71 GLN A O 1 ATOM 508 C CB . GLN A 1 71 ? -13.381 -38.401 -57.019 1.00 34.09 ? 71 GLN A CB 1 ATOM 509 C CG . GLN A 1 71 ? -13.441 -36.887 -56.894 1.00 35.62 ? 71 GLN A CG 1 ATOM 510 C CD . GLN A 1 71 ? -12.237 -36.201 -57.518 1.00 44.01 ? 71 GLN A CD 1 ATOM 511 O OE1 . GLN A 1 71 ? -11.515 -35.451 -56.854 1.00 53.33 ? 71 GLN A OE1 1 ATOM 512 N NE2 . GLN A 1 71 ? -12.024 -36.445 -58.804 1.00 42.52 ? 71 GLN A NE2 1 ATOM 513 N N . TYR A 1 72 ? -14.412 -39.429 -54.333 1.00 38.35 ? 72 TYR A N 1 ATOM 514 C CA . TYR A 1 72 ? -14.522 -39.103 -52.918 1.00 33.19 ? 72 TYR A CA 1 ATOM 515 C C . TYR A 1 72 ? -13.903 -37.720 -52.645 1.00 33.01 ? 72 TYR A C 1 ATOM 516 O O . TYR A 1 72 ? -12.888 -37.364 -53.239 1.00 37.09 ? 72 TYR A O 1 ATOM 517 C CB . TYR A 1 72 ? -13.808 -40.198 -52.119 1.00 36.30 ? 72 TYR A CB 1 ATOM 518 C CG . TYR A 1 72 ? -13.491 -39.882 -50.666 1.00 41.71 ? 72 TYR A CG 1 ATOM 519 C CD1 . TYR A 1 72 ? -14.489 -39.848 -49.707 1.00 41.13 ? 72 TYR A CD1 1 ATOM 520 C CD2 . TYR A 1 72 ? -12.182 -39.664 -50.253 1.00 42.83 ? 72 TYR A CD2 1 ATOM 521 C CE1 . TYR A 1 72 ? -14.201 -39.574 -48.394 1.00 44.61 ? 72 TYR A CE1 1 ATOM 522 C CE2 . TYR A 1 72 ? -11.890 -39.392 -48.943 1.00 45.16 ? 72 TYR A CE2 1 ATOM 523 C CZ . TYR A 1 72 ? -12.906 -39.346 -48.017 1.00 46.73 ? 72 TYR A CZ 1 ATOM 524 O OH . TYR A 1 72 ? -12.629 -39.068 -46.704 1.00 52.26 ? 72 TYR A OH 1 ATOM 525 N N . VAL A 1 73 ? -14.524 -36.926 -51.780 1.00 29.47 ? 73 VAL A N 1 ATOM 526 C CA . VAL A 1 73 ? -13.907 -35.676 -51.334 1.00 31.40 ? 73 VAL A CA 1 ATOM 527 C C . VAL A 1 73 ? -13.264 -35.825 -49.942 1.00 39.25 ? 73 VAL A C 1 ATOM 528 O O . VAL A 1 73 ? -13.960 -36.069 -48.947 1.00 41.98 ? 73 VAL A O 1 ATOM 529 C CB . VAL A 1 73 ? -14.925 -34.538 -51.269 1.00 27.99 ? 73 VAL A CB 1 ATOM 530 C CG1 . VAL A 1 73 ? -14.222 -33.227 -50.951 1.00 26.68 ? 73 VAL A CG1 1 ATOM 531 C CG2 . VAL A 1 73 ? -15.689 -34.447 -52.557 1.00 24.73 ? 73 VAL A CG2 1 ATOM 532 N N . ASP A 1 74 ? -11.944 -35.670 -49.880 1.00 40.35 ? 74 ASP A N 1 ATOM 533 C CA . ASP A 1 74 ? -11.196 -35.806 -48.630 1.00 47.24 ? 74 ASP A CA 1 ATOM 534 C C . ASP A 1 74 ? -11.474 -34.631 -47.698 1.00 54.91 ? 74 ASP A C 1 ATOM 535 O O . ASP A 1 74 ? -11.046 -33.508 -47.959 1.00 63.44 ? 74 ASP A O 1 ATOM 536 C CB . ASP A 1 74 ? -9.695 -35.903 -48.925 1.00 49.16 ? 74 ASP A CB 1 ATOM 537 C CG . ASP A 1 74 ? -8.870 -36.299 -47.707 1.00 48.73 ? 74 ASP A CG 1 ATOM 538 O OD1 . ASP A 1 74 ? -9.234 -35.931 -46.568 1.00 47.44 ? 74 ASP A OD1 1 ATOM 539 O OD2 . ASP A 1 74 ? -7.838 -36.977 -47.898 1.00 48.45 ? 74 ASP A OD2 1 ATOM 540 N N . THR A 1 75 ? -12.174 -34.902 -46.600 1.00 54.72 ? 75 THR A N 1 ATOM 541 C CA . THR A 1 75 ? -12.559 -33.851 -45.665 1.00 57.52 ? 75 THR A CA 1 ATOM 542 C C . THR A 1 75 ? -12.206 -34.164 -44.219 1.00 56.88 ? 75 THR A C 1 ATOM 543 O O . THR A 1 75 ? -13.032 -34.003 -43.321 1.00 52.65 ? 75 THR A O 1 ATOM 544 C CB . THR A 1 75 ? -14.049 -33.559 -45.735 1.00 60.65 ? 75 THR A CB 1 ATOM 545 O OG1 . THR A 1 75 ? -14.769 -34.789 -45.590 1.00 64.02 ? 75 THR A OG1 1 ATOM 546 C CG2 . THR A 1 75 ? -14.394 -32.892 -47.064 1.00 59.58 ? 75 THR A CG2 1 ATOM 547 N N . LEU A 1 76 ? -10.971 -34.600 -44.005 1.00 54.11 ? 76 LEU A N 1 ATOM 548 C CA . LEU A 1 76 ? -10.452 -34.815 -42.665 1.00 45.30 ? 76 LEU A CA 1 ATOM 549 C C . LEU A 1 76 ? -10.460 -33.503 -41.889 1.00 50.26 ? 76 LEU A C 1 ATOM 550 O O . LEU A 1 76 ? -10.919 -33.452 -40.747 1.00 58.37 ? 76 LEU A O 1 ATOM 551 C CB . LEU A 1 76 ? -9.032 -35.365 -42.755 1.00 40.63 ? 76 LEU A CB 1 ATOM 552 C CG . LEU A 1 76 ? -8.342 -35.911 -41.507 1.00 26.51 ? 76 LEU A CG 1 ATOM 553 C CD1 . LEU A 1 76 ? -9.065 -37.125 -40.939 1.00 35.36 ? 76 LEU A CD1 1 ATOM 554 C CD2 . LEU A 1 76 ? -6.919 -36.268 -41.834 1.00 25.58 ? 76 LEU A CD2 1 ATOM 555 N N . TYR A 1 77 ? -9.969 -32.446 -42.532 1.00 51.65 ? 77 TYR A N 1 ATOM 556 C CA . TYR A 1 77 ? -9.820 -31.131 -41.920 1.00 29.34 ? 77 TYR A CA 1 ATOM 557 C C . TYR A 1 77 ? -10.745 -30.081 -42.548 1.00 30.00 ? 77 TYR A C 1 ATOM 558 O O . TYR A 1 77 ? -10.310 -29.293 -43.366 1.00 33.06 ? 77 TYR A O 1 ATOM 559 C CB . TYR A 1 77 ? -8.365 -30.676 -42.055 1.00 28.92 ? 77 TYR A CB 1 ATOM 560 C CG . TYR A 1 77 ? -7.382 -31.549 -41.312 1.00 35.66 ? 77 TYR A CG 1 ATOM 561 C CD1 . TYR A 1 77 ? -7.427 -31.639 -39.944 1.00 43.54 ? 77 TYR A CD1 1 ATOM 562 C CD2 . TYR A 1 77 ? -6.399 -32.273 -41.975 1.00 39.69 ? 77 TYR A CD2 1 ATOM 563 C CE1 . TYR A 1 77 ? -6.535 -32.433 -39.237 1.00 53.30 ? 77 TYR A CE1 1 ATOM 564 C CE2 . TYR A 1 77 ? -5.486 -33.074 -41.272 1.00 27.11 ? 77 TYR A CE2 1 ATOM 565 C CZ . TYR A 1 77 ? -5.567 -33.148 -39.895 1.00 47.13 ? 77 TYR A CZ 1 ATOM 566 O OH . TYR A 1 77 ? -4.701 -33.922 -39.135 1.00 38.72 ? 77 TYR A OH 1 ATOM 567 N N . PRO A 1 78 ? -12.021 -30.051 -42.147 1.00 47.45 ? 78 PRO A N 1 ATOM 568 C CA . PRO A 1 78 ? -13.014 -29.120 -42.702 1.00 47.82 ? 78 PRO A CA 1 ATOM 569 C C . PRO A 1 78 ? -12.582 -27.661 -42.713 1.00 45.61 ? 78 PRO A C 1 ATOM 570 O O . PRO A 1 78 ? -12.207 -27.113 -41.679 1.00 43.90 ? 78 PRO A O 1 ATOM 571 C CB . PRO A 1 78 ? -14.199 -29.262 -41.743 1.00 49.02 ? 78 PRO A CB 1 ATOM 572 C CG . PRO A 1 78 ? -14.077 -30.609 -41.205 1.00 55.60 ? 78 PRO A CG 1 ATOM 573 C CD . PRO A 1 78 ? -12.604 -30.894 -41.093 1.00 53.79 ? 78 PRO A CD 1 ATOM 574 N N . GLY A 1 79 ? -12.656 -27.036 -43.878 1.00 48.19 ? 79 GLY A N 1 ATOM 575 C CA . GLY A 1 79 ? -12.382 -25.619 -43.981 1.00 53.89 ? 79 GLY A CA 1 ATOM 576 C C . GLY A 1 79 ? -10.911 -25.277 -43.867 1.00 54.51 ? 79 GLY A C 1 ATOM 577 O O . GLY A 1 79 ? -10.565 -24.128 -43.599 1.00 60.42 ? 79 GLY A O 1 ATOM 578 N N . PHE A 1 80 ? -10.047 -26.268 -44.070 1.00 48.41 ? 80 PHE A N 1 ATOM 579 C CA . PHE A 1 80 ? -8.601 -26.057 -43.993 1.00 50.12 ? 80 PHE A CA 1 ATOM 580 C C . PHE A 1 80 ? -8.052 -25.608 -45.346 1.00 60.42 ? 80 PHE A C 1 ATOM 581 O O . PHE A 1 80 ? -8.375 -26.186 -46.375 1.00 67.34 ? 80 PHE A O 1 ATOM 582 C CB . PHE A 1 80 ? -7.889 -27.328 -43.494 1.00 42.83 ? 80 PHE A CB 1 ATOM 583 C CG . PHE A 1 80 ? -6.396 -27.174 -43.308 1.00 41.78 ? 80 PHE A CG 1 ATOM 584 C CD1 . PHE A 1 80 ? -5.863 -26.048 -42.704 1.00 39.79 ? 80 PHE A CD1 1 ATOM 585 C CD2 . PHE A 1 80 ? -5.526 -28.170 -43.718 1.00 42.86 ? 80 PHE A CD2 1 ATOM 586 C CE1 . PHE A 1 80 ? -4.489 -25.910 -42.531 1.00 35.27 ? 80 PHE A CE1 1 ATOM 587 C CE2 . PHE A 1 80 ? -4.156 -28.031 -43.545 1.00 37.50 ? 80 PHE A CE2 1 ATOM 588 C CZ . PHE A 1 80 ? -3.640 -26.903 -42.953 1.00 33.57 ? 80 PHE A CZ 1 ATOM 589 N N . GLU A 1 81 ? -7.225 -24.569 -45.327 1.00 68.23 ? 81 GLU A N 1 ATOM 590 C CA . GLU A 1 81 ? -6.663 -23.967 -46.539 1.00 71.71 ? 81 GLU A CA 1 ATOM 591 C C . GLU A 1 81 ? -5.834 -24.921 -47.409 1.00 59.19 ? 81 GLU A C 1 ATOM 592 O O . GLU A 1 81 ? -6.011 -24.987 -48.624 1.00 60.39 ? 81 GLU A O 1 ATOM 593 C CB . GLU A 1 81 ? -5.827 -22.748 -46.142 1.00 82.33 ? 81 GLU A CB 1 ATOM 594 C CG . GLU A 1 81 ? -5.264 -22.867 -44.734 1.00 90.81 ? 81 GLU A CG 1 ATOM 595 C CD . GLU A 1 81 ? -4.913 -21.532 -44.116 1.00 99.60 ? 81 GLU A CD 1 ATOM 596 O OE1 . GLU A 1 81 ? -4.767 -20.546 -44.870 1.00 101.77 ? 81 GLU A OE1 1 ATOM 597 O OE2 . GLU A 1 81 ? -4.781 -21.470 -42.874 1.00 104.45 ? 81 GLU A OE2 1 ATOM 598 N N . GLY A 1 82 ? -4.931 -25.661 -46.782 1.00 53.59 ? 82 GLY A N 1 ATOM 599 C CA . GLY A 1 82 ? -4.034 -26.533 -47.512 1.00 57.10 ? 82 GLY A CA 1 ATOM 600 C C . GLY A 1 82 ? -4.637 -27.880 -47.842 1.00 61.97 ? 82 GLY A C 1 ATOM 601 O O . GLY A 1 82 ? -3.933 -28.794 -48.261 1.00 64.06 ? 82 GLY A O 1 ATOM 602 N N . THR A 1 83 ? -5.942 -28.017 -47.666 1.00 63.69 ? 83 THR A N 1 ATOM 603 C CA . THR A 1 83 ? -6.566 -29.314 -47.872 1.00 66.77 ? 83 THR A CA 1 ATOM 604 C C . THR A 1 83 ? -7.589 -29.201 -48.990 1.00 67.52 ? 83 THR A C 1 ATOM 605 O O . THR A 1 83 ? -7.877 -30.184 -49.682 1.00 69.90 ? 83 THR A O 1 ATOM 606 C CB . THR A 1 83 ? -7.211 -29.855 -46.565 1.00 67.61 ? 83 THR A CB 1 ATOM 607 O OG1 . THR A 1 83 ? -7.183 -31.292 -46.552 1.00 66.68 ? 83 THR A OG1 1 ATOM 608 C CG2 . THR A 1 83 ? -8.637 -29.354 -46.416 1.00 65.82 ? 83 THR A CG2 1 ATOM 609 N N . GLU A 1 84 ? -8.110 -27.988 -49.171 1.00 64.89 ? 84 GLU A N 1 ATOM 610 C CA . GLU A 1 84 ? -9.105 -27.712 -50.200 1.00 69.17 ? 84 GLU A CA 1 ATOM 611 C C . GLU A 1 84 ? -8.375 -27.287 -51.474 1.00 74.72 ? 84 GLU A C 1 ATOM 612 O O . GLU A 1 84 ? -8.988 -27.067 -52.516 1.00 86.09 ? 84 GLU A O 1 ATOM 613 C CB . GLU A 1 84 ? -10.113 -26.642 -49.726 1.00 70.44 ? 84 GLU A CB 1 ATOM 614 C CG . GLU A 1 84 ? -11.005 -27.077 -48.524 1.00 89.33 ? 84 GLU A CG 1 ATOM 615 C CD . GLU A 1 84 ? -11.721 -25.911 -47.799 1.00 82.74 ? 84 GLU A CD 1 ATOM 616 O OE1 . GLU A 1 84 ? -11.245 -24.752 -47.867 1.00 79.77 ? 84 GLU A OE1 1 ATOM 617 O OE2 . GLU A 1 84 ? -12.763 -26.164 -47.146 1.00 72.33 ? 84 GLU A OE2 1 ATOM 618 N N . MET A 1 85 ? -7.054 -27.184 -51.376 1.00 67.69 ? 85 MET A N 1 ATOM 619 C CA . MET A 1 85 ? -6.199 -26.922 -52.529 1.00 62.30 ? 85 MET A CA 1 ATOM 620 C C . MET A 1 85 ? -6.339 -28.031 -53.591 1.00 50.87 ? 85 MET A C 1 ATOM 621 O O . MET A 1 85 ? -6.247 -27.779 -54.812 1.00 43.47 ? 85 MET A O 1 ATOM 622 C CB . MET A 1 85 ? -4.745 -26.810 -52.062 1.00 65.53 ? 85 MET A CB 1 ATOM 623 C CG . MET A 1 85 ? -3.731 -26.812 -53.179 1.00 70.31 ? 85 MET A CG 1 ATOM 624 S SD . MET A 1 85 ? -2.037 -26.732 -52.587 1.00 103.31 ? 85 MET A SD 1 ATOM 625 C CE . MET A 1 85 ? -1.220 -26.165 -54.087 1.00 41.55 ? 85 MET A CE 1 ATOM 626 N N . TRP A 1 86 ? -6.571 -29.251 -53.102 1.00 43.56 ? 86 TRP A N 1 ATOM 627 C CA . TRP A 1 86 ? -6.667 -30.448 -53.935 1.00 34.38 ? 86 TRP A CA 1 ATOM 628 C C . TRP A 1 86 ? -8.109 -30.857 -54.139 1.00 31.85 ? 86 TRP A C 1 ATOM 629 O O . TRP A 1 86 ? -8.389 -31.775 -54.900 1.00 38.53 ? 86 TRP A O 1 ATOM 630 C CB . TRP A 1 86 ? -5.921 -31.618 -53.291 1.00 33.64 ? 86 TRP A CB 1 ATOM 631 C CG . TRP A 1 86 ? -4.607 -31.219 -52.737 1.00 42.62 ? 86 TRP A CG 1 ATOM 632 C CD1 . TRP A 1 86 ? -4.342 -30.811 -51.457 1.00 47.57 ? 86 TRP A CD1 1 ATOM 633 C CD2 . TRP A 1 86 ? -3.367 -31.163 -53.441 1.00 45.30 ? 86 TRP A CD2 1 ATOM 634 N NE1 . TRP A 1 86 ? -3.009 -30.507 -51.325 1.00 47.35 ? 86 TRP A NE1 1 ATOM 635 C CE2 . TRP A 1 86 ? -2.388 -30.717 -52.529 1.00 51.04 ? 86 TRP A CE2 1 ATOM 636 C CE3 . TRP A 1 86 ? -2.986 -31.451 -54.751 1.00 41.75 ? 86 TRP A CE3 1 ATOM 637 C CZ2 . TRP A 1 86 ? -1.051 -30.554 -52.891 1.00 50.10 ? 86 TRP A CZ2 1 ATOM 638 C CZ3 . TRP A 1 86 ? -1.662 -31.280 -55.107 1.00 43.15 ? 86 TRP A CZ3 1 ATOM 639 C CH2 . TRP A 1 86 ? -0.709 -30.837 -54.179 1.00 41.60 ? 86 TRP A CH2 1 ATOM 640 N N . ASN A 1 87 ? -9.032 -30.199 -53.450 1.00 29.83 ? 87 ASN A N 1 ATOM 641 C CA . ASN A 1 87 ? -10.429 -30.570 -53.607 1.00 36.74 ? 87 ASN A CA 1 ATOM 642 C C . ASN A 1 87 ? -11.023 -30.050 -54.921 1.00 42.07 ? 87 ASN A C 1 ATOM 643 O O . ASN A 1 87 ? -10.674 -28.952 -55.381 1.00 43.55 ? 87 ASN A O 1 ATOM 644 C CB . ASN A 1 87 ? -11.269 -30.170 -52.385 1.00 44.26 ? 87 ASN A CB 1 ATOM 645 C CG . ASN A 1 87 ? -11.186 -31.198 -51.242 1.00 60.37 ? 87 ASN A CG 1 ATOM 646 O OD1 . ASN A 1 87 ? -10.720 -32.334 -51.422 1.00 57.04 ? 87 ASN A OD1 1 ATOM 647 N ND2 . ASN A 1 87 ? -11.653 -30.798 -50.061 1.00 71.63 ? 87 ASN A ND2 1 ATOM 648 N N . PRO A 1 88 ? -11.881 -30.875 -55.549 1.00 42.33 ? 88 PRO A N 1 ATOM 649 C CA . PRO A 1 88 ? -12.699 -30.582 -56.725 1.00 47.09 ? 88 PRO A CA 1 ATOM 650 C C . PRO A 1 88 ? -13.288 -29.175 -56.737 1.00 52.71 ? 88 PRO A C 1 ATOM 651 O O . PRO A 1 88 ? -14.059 -28.831 -55.838 1.00 55.75 ? 88 PRO A O 1 ATOM 652 C CB . PRO A 1 88 ? -13.834 -31.614 -56.606 1.00 46.01 ? 88 PRO A CB 1 ATOM 653 C CG . PRO A 1 88 ? -13.393 -32.625 -55.517 1.00 33.48 ? 88 PRO A CG 1 ATOM 654 C CD . PRO A 1 88 ? -11.967 -32.306 -55.214 1.00 37.76 ? 88 PRO A CD 1 ATOM 655 N N . ASN A 1 89 ? -12.936 -28.384 -57.751 1.00 56.59 ? 89 ASN A N 1 ATOM 656 C CA . ASN A 1 89 ? -13.475 -27.029 -57.904 1.00 62.91 ? 89 ASN A CA 1 ATOM 657 C C . ASN A 1 89 ? -14.753 -26.993 -58.744 1.00 67.14 ? 89 ASN A C 1 ATOM 658 O O . ASN A 1 89 ? -15.771 -26.424 -58.336 1.00 77.68 ? 89 ASN A O 1 ATOM 659 C CB . ASN A 1 89 ? -12.415 -26.070 -58.466 1.00 61.70 ? 89 ASN A CB 1 ATOM 660 C CG . ASN A 1 89 ? -11.610 -26.680 -59.593 1.00 59.87 ? 89 ASN A CG 1 ATOM 661 O OD1 . ASN A 1 89 ? -12.132 -27.436 -60.405 1.00 64.35 ? 89 ASN A OD1 1 ATOM 662 N ND2 . ASN A 1 89 ? -10.327 -26.359 -59.642 1.00 57.78 ? 89 ASN A ND2 1 ATOM 663 N N . ARG A 1 90 ? -14.693 -27.610 -59.916 1.00 59.74 ? 90 ARG A N 1 ATOM 664 C CA . ARG A 1 90 ? -15.876 -27.800 -60.736 1.00 51.82 ? 90 ARG A CA 1 ATOM 665 C C . ARG A 1 90 ? -16.769 -28.878 -60.114 1.00 44.40 ? 90 ARG A C 1 ATOM 666 O O . ARG A 1 90 ? -16.318 -29.654 -59.269 1.00 32.95 ? 90 ARG A O 1 ATOM 667 C CB . ARG A 1 90 ? -15.459 -28.174 -62.159 1.00 43.96 ? 90 ARG A CB 1 ATOM 668 C CG . ARG A 1 90 ? -14.699 -27.066 -62.863 1.00 45.23 ? 90 ARG A CG 1 ATOM 669 C CD . ARG A 1 90 ? -15.604 -25.862 -63.070 1.00 54.72 ? 90 ARG A CD 1 ATOM 670 N NE . ARG A 1 90 ? -14.873 -24.628 -63.340 1.00 62.33 ? 90 ARG A NE 1 ATOM 671 C CZ . ARG A 1 90 ? -14.160 -23.971 -62.427 1.00 72.04 ? 90 ARG A CZ 1 ATOM 672 N NH1 . ARG A 1 90 ? -14.062 -24.446 -61.189 1.00 70.33 ? 90 ARG A NH1 1 ATOM 673 N NH2 . ARG A 1 90 ? -13.536 -22.843 -62.752 1.00 75.37 ? 90 ARG A NH2 1 ATOM 674 N N . GLU A 1 91 ? -18.035 -28.914 -60.527 1.00 46.48 ? 91 GLU A N 1 ATOM 675 C CA . GLU A 1 91 ? -18.979 -29.915 -60.039 1.00 44.84 ? 91 GLU A CA 1 ATOM 676 C C . GLU A 1 91 ? -18.581 -31.344 -60.415 1.00 38.44 ? 91 GLU A C 1 ATOM 677 O O . GLU A 1 91 ? -17.682 -31.565 -61.227 1.00 34.72 ? 91 GLU A O 1 ATOM 678 C CB . GLU A 1 91 ? -20.387 -29.615 -60.546 1.00 59.83 ? 91 GLU A CB 1 ATOM 679 C CG . GLU A 1 91 ? -20.472 -29.454 -62.051 1.00 82.30 ? 91 GLU A CG 1 ATOM 680 C CD . GLU A 1 91 ? -21.796 -29.939 -62.616 1.00 96.97 ? 91 GLU A CD 1 ATOM 681 O OE1 . GLU A 1 91 ? -22.288 -30.999 -62.155 1.00 97.33 ? 91 GLU A OE1 1 ATOM 682 O OE2 . GLU A 1 91 ? -22.336 -29.262 -63.523 1.00 101.81 ? 91 GLU A OE2 1 ATOM 683 N N . LEU A 1 92 ? -19.256 -32.318 -59.815 1.00 40.74 ? 92 LEU A N 1 ATOM 684 C CA . LEU A 1 92 ? -18.928 -33.725 -60.047 1.00 42.60 ? 92 LEU A CA 1 ATOM 685 C C . LEU A 1 92 ? -19.887 -34.382 -61.030 1.00 38.94 ? 92 LEU A C 1 ATOM 686 O O . LEU A 1 92 ? -21.104 -34.185 -60.955 1.00 42.38 ? 92 LEU A O 1 ATOM 687 C CB . LEU A 1 92 ? -18.912 -34.530 -58.732 1.00 41.47 ? 92 LEU A CB 1 ATOM 688 C CG . LEU A 1 92 ? -17.904 -34.248 -57.604 1.00 39.66 ? 92 LEU A CG 1 ATOM 689 C CD1 . LEU A 1 92 ? -17.793 -35.449 -56.671 1.00 24.67 ? 92 LEU A CD1 1 ATOM 690 C CD2 . LEU A 1 92 ? -16.528 -33.867 -58.118 1.00 40.28 ? 92 LEU A CD2 1 ATOM 691 N N . SER A 1 93 ? -19.329 -35.163 -61.951 1.00 33.43 ? 93 SER A N 1 ATOM 692 C CA . SER A 1 93 ? -20.137 -35.913 -62.907 1.00 38.15 ? 93 SER A CA 1 ATOM 693 C C . SER A 1 93 ? -19.388 -37.142 -63.371 1.00 37.21 ? 93 SER A C 1 ATOM 694 O O . SER A 1 93 ? -18.164 -37.234 -63.208 1.00 23.78 ? 93 SER A O 1 ATOM 695 C CB . SER A 1 93 ? -20.492 -35.054 -64.126 1.00 43.13 ? 93 SER A CB 1 ATOM 696 O OG . SER A 1 93 ? -21.688 -35.502 -64.741 1.00 45.14 ? 93 SER A OG 1 ATOM 697 N N . GLU A 1 94 ? -20.131 -38.092 -63.935 1.00 40.27 ? 94 GLU A N 1 ATOM 698 C CA . GLU A 1 94 ? -19.522 -39.193 -64.675 1.00 45.18 ? 94 GLU A CA 1 ATOM 699 C C . GLU A 1 94 ? -19.197 -38.726 -66.096 1.00 54.77 ? 94 GLU A C 1 ATOM 700 O O . GLU A 1 94 ? -18.246 -39.213 -66.718 1.00 63.62 ? 94 GLU A O 1 ATOM 701 C CB . GLU A 1 94 ? -20.433 -40.418 -64.707 1.00 40.17 ? 94 GLU A CB 1 ATOM 702 C CG . GLU A 1 94 ? -20.584 -41.120 -63.371 1.00 35.03 ? 94 GLU A CG 1 ATOM 703 C CD . GLU A 1 94 ? -21.273 -42.474 -63.486 1.00 39.27 ? 94 GLU A CD 1 ATOM 704 O OE1 . GLU A 1 94 ? -22.528 -42.527 -63.452 1.00 35.18 ? 94 GLU A OE1 1 ATOM 705 O OE2 . GLU A 1 94 ? -20.548 -43.489 -63.605 1.00 43.89 ? 94 GLU A OE2 1 ATOM 706 N N . ASP A 1 95 ? -19.993 -37.778 -66.595 1.00 43.63 ? 95 ASP A N 1 ATOM 707 C CA . ASP A 1 95 ? -19.680 -37.062 -67.822 1.00 35.79 ? 95 ASP A CA 1 ATOM 708 C C . ASP A 1 95 ? -18.551 -36.101 -67.514 1.00 33.47 ? 95 ASP A C 1 ATOM 709 O O . ASP A 1 95 ? -18.793 -34.919 -67.269 1.00 40.62 ? 95 ASP A O 1 ATOM 710 C CB . ASP A 1 95 ? -20.896 -36.271 -68.302 1.00 40.23 ? 95 ASP A CB 1 ATOM 711 C CG . ASP A 1 95 ? -20.705 -35.678 -69.695 1.00 43.53 ? 95 ASP A CG 1 ATOM 712 O OD1 . ASP A 1 95 ? -19.554 -35.617 -70.179 1.00 42.32 ? 95 ASP A OD1 1 ATOM 713 O OD2 . ASP A 1 95 ? -21.715 -35.270 -70.310 1.00 47.13 ? 95 ASP A OD2 1 ATOM 714 N N . CYS A 1 96 ? -17.322 -36.611 -67.547 1.00 30.87 ? 96 CYS A N 1 ATOM 715 C CA . CYS A 1 96 ? -16.152 -35.863 -67.092 1.00 33.62 ? 96 CYS A CA 1 ATOM 716 C C . CYS A 1 96 ? -14.947 -35.974 -68.017 1.00 34.44 ? 96 CYS A C 1 ATOM 717 O O . CYS A 1 96 ? -13.895 -35.404 -67.736 1.00 36.13 ? 96 CYS A O 1 ATOM 718 C CB . CYS A 1 96 ? -15.724 -36.387 -65.737 1.00 30.86 ? 96 CYS A CB 1 ATOM 719 S SG . CYS A 1 96 ? -15.082 -38.087 -65.784 1.00 21.50 ? 96 CYS A SG 1 ATOM 720 N N . LEU A 1 97 ? -15.096 -36.725 -69.101 1.00 29.49 ? 97 LEU A N 1 ATOM 721 C CA . LEU A 1 97 ? -13.993 -36.978 -70.015 1.00 34.34 ? 97 LEU A CA 1 ATOM 722 C C . LEU A 1 97 ? -13.714 -35.825 -71.004 1.00 43.53 ? 97 LEU A C 1 ATOM 723 O O . LEU A 1 97 ? -14.178 -35.826 -72.154 1.00 47.45 ? 97 LEU A O 1 ATOM 724 C CB . LEU A 1 97 ? -14.213 -38.310 -70.731 1.00 32.11 ? 97 LEU A CB 1 ATOM 725 C CG . LEU A 1 97 ? -13.979 -39.493 -69.797 1.00 28.91 ? 97 LEU A CG 1 ATOM 726 C CD1 . LEU A 1 97 ? -13.995 -40.830 -70.532 1.00 21.34 ? 97 LEU A CD1 1 ATOM 727 C CD2 . LEU A 1 97 ? -12.653 -39.289 -69.069 1.00 26.93 ? 97 LEU A CD2 1 ATOM 728 N N . TYR A 1 98 ? -12.940 -34.852 -70.526 1.00 35.74 ? 98 TYR A N 1 ATOM 729 C CA . TYR A 1 98 ? -12.633 -33.632 -71.249 1.00 23.45 ? 98 TYR A CA 1 ATOM 730 C C . TYR A 1 98 ? -11.154 -33.328 -71.080 1.00 30.19 ? 98 TYR A C 1 ATOM 731 O O . TYR A 1 98 ? -10.534 -33.795 -70.133 1.00 30.47 ? 98 TYR A O 1 ATOM 732 C CB . TYR A 1 98 ? -13.470 -32.489 -70.693 1.00 24.37 ? 98 TYR A CB 1 ATOM 733 C CG . TYR A 1 98 ? -14.942 -32.691 -70.921 1.00 30.52 ? 98 TYR A CG 1 ATOM 734 C CD1 . TYR A 1 98 ? -15.703 -33.475 -70.066 1.00 30.87 ? 98 TYR A CD1 1 ATOM 735 C CD2 . TYR A 1 98 ? -15.571 -32.116 -72.005 1.00 36.80 ? 98 TYR A CD2 1 ATOM 736 C CE1 . TYR A 1 98 ? -17.061 -33.676 -70.292 1.00 37.40 ? 98 TYR A CE1 1 ATOM 737 C CE2 . TYR A 1 98 ? -16.917 -32.302 -72.238 1.00 44.53 ? 98 TYR A CE2 1 ATOM 738 C CZ . TYR A 1 98 ? -17.663 -33.081 -71.387 1.00 39.47 ? 98 TYR A CZ 1 ATOM 739 O OH . TYR A 1 98 ? -19.009 -33.252 -71.644 1.00 36.66 ? 98 TYR A OH 1 ATOM 740 N N . LEU A 1 99 ? -10.574 -32.563 -71.995 1.00 27.84 ? 99 LEU A N 1 ATOM 741 C CA . LEU A 1 99 ? -9.154 -32.243 -71.910 1.00 22.94 ? 99 LEU A CA 1 ATOM 742 C C . LEU A 1 99 ? -8.963 -30.753 -72.145 1.00 34.46 ? 99 LEU A C 1 ATOM 743 O O . LEU A 1 99 ? -9.923 -30.057 -72.475 1.00 30.41 ? 99 LEU A O 1 ATOM 744 C CB . LEU A 1 99 ? -8.314 -33.107 -72.867 1.00 22.53 ? 99 LEU A CB 1 ATOM 745 C CG . LEU A 1 99 ? -8.629 -33.237 -74.370 1.00 28.41 ? 99 LEU A CG 1 ATOM 746 C CD1 . LEU A 1 99 ? -8.243 -32.019 -75.165 1.00 24.35 ? 99 LEU A CD1 1 ATOM 747 C CD2 . LEU A 1 99 ? -7.921 -34.426 -74.923 1.00 22.69 ? 99 LEU A CD2 1 ATOM 748 N N . ASN A 1 100 ? -7.738 -30.266 -71.955 1.00 23.81 ? 100 ASN A N 1 ATOM 749 C CA . ASN A 1 100 ? -7.467 -28.829 -71.930 1.00 32.43 ? 100 ASN A CA 1 ATOM 750 C C . ASN A 1 100 ? -6.134 -28.534 -72.603 1.00 31.66 ? 100 ASN A C 1 ATOM 751 O O . ASN A 1 100 ? -5.148 -29.225 -72.342 1.00 29.45 ? 100 ASN A O 1 ATOM 752 C CB . ASN A 1 100 ? -7.420 -28.272 -70.484 1.00 41.63 ? 100 ASN A CB 1 ATOM 753 C CG . ASN A 1 100 ? -8.371 -28.994 -69.508 1.00 36.83 ? 100 ASN A CG 1 ATOM 754 O OD1 . ASN A 1 100 ? -9.584 -28.735 -69.481 1.00 34.84 ? 100 ASN A OD1 1 ATOM 755 N ND2 . ASN A 1 100 ? -7.806 -29.880 -68.677 1.00 27.58 ? 100 ASN A ND2 1 ATOM 756 N N . VAL A 1 101 ? -6.105 -27.505 -73.454 1.00 35.34 ? 101 VAL A N 1 ATOM 757 C CA . VAL A 1 101 ? -4.887 -27.102 -74.171 1.00 26.77 ? 101 VAL A CA 1 ATOM 758 C C . VAL A 1 101 ? -4.514 -25.633 -73.925 1.00 35.87 ? 101 VAL A C 1 ATOM 759 O O . VAL A 1 101 ? -5.335 -24.722 -74.104 1.00 37.77 ? 101 VAL A O 1 ATOM 760 C CB . VAL A 1 101 ? -5.010 -27.327 -75.702 1.00 59.38 ? 101 VAL A CB 1 ATOM 761 C CG1 . VAL A 1 101 ? -3.688 -27.009 -76.407 1.00 27.97 ? 101 VAL A CG1 1 ATOM 762 C CG2 . VAL A 1 101 ? -5.440 -28.744 -76.001 1.00 26.49 ? 101 VAL A CG2 1 ATOM 763 N N . TRP A 1 102 ? -3.275 -25.412 -73.494 1.00 32.76 ? 102 TRP A N 1 ATOM 764 C CA . TRP A 1 102 ? -2.717 -24.067 -73.410 1.00 39.30 ? 102 TRP A CA 1 ATOM 765 C C . TRP A 1 102 ? -1.655 -23.958 -74.484 1.00 45.67 ? 102 TRP A C 1 ATOM 766 O O . TRP A 1 102 ? -0.711 -24.740 -74.522 1.00 51.46 ? 102 TRP A O 1 ATOM 767 C CB . TRP A 1 102 ? -2.075 -23.798 -72.042 1.00 37.99 ? 102 TRP A CB 1 ATOM 768 C CG . TRP A 1 102 ? -3.040 -23.713 -70.912 1.00 36.43 ? 102 TRP A CG 1 ATOM 769 C CD1 . TRP A 1 102 ? -3.634 -22.587 -70.426 1.00 42.65 ? 102 TRP A CD1 1 ATOM 770 C CD2 . TRP A 1 102 ? -3.525 -24.800 -70.113 1.00 32.32 ? 102 TRP A CD2 1 ATOM 771 N NE1 . TRP A 1 102 ? -4.468 -22.906 -69.382 1.00 43.58 ? 102 TRP A NE1 1 ATOM 772 C CE2 . TRP A 1 102 ? -4.420 -24.261 -69.173 1.00 38.28 ? 102 TRP A CE2 1 ATOM 773 C CE3 . TRP A 1 102 ? -3.299 -26.181 -70.113 1.00 29.94 ? 102 TRP A CE3 1 ATOM 774 C CZ2 . TRP A 1 102 ? -5.088 -25.053 -68.240 1.00 39.15 ? 102 TRP A CZ2 1 ATOM 775 C CZ3 . TRP A 1 102 ? -3.967 -26.966 -69.183 1.00 30.23 ? 102 TRP A CZ3 1 ATOM 776 C CH2 . TRP A 1 102 ? -4.848 -26.399 -68.263 1.00 33.52 ? 102 TRP A CH2 1 ATOM 777 N N . THR A 1 103 ? -1.800 -22.989 -75.366 1.00 45.08 ? 103 THR A N 1 ATOM 778 C CA . THR A 1 103 ? -0.820 -22.816 -76.415 1.00 39.48 ? 103 THR A CA 1 ATOM 779 C C . THR A 1 103 ? -0.408 -21.352 -76.403 1.00 40.71 ? 103 THR A C 1 ATOM 780 O O . THR A 1 103 ? -1.199 -20.498 -75.996 1.00 40.95 ? 103 THR A O 1 ATOM 781 C CB . THR A 1 103 ? -1.396 -23.269 -77.769 1.00 37.79 ? 103 THR A CB 1 ATOM 782 O OG1 . THR A 1 103 ? -0.441 -23.038 -78.807 1.00 43.72 ? 103 THR A OG1 1 ATOM 783 C CG2 . THR A 1 103 ? -2.681 -22.528 -78.082 1.00 37.20 ? 103 THR A CG2 1 ATOM 784 N N . PRO A 1 104 ? 0.845 -21.058 -76.795 1.00 43.01 ? 104 PRO A N 1 ATOM 785 C CA . PRO A 1 104 ? 1.342 -19.685 -76.687 1.00 49.32 ? 104 PRO A CA 1 ATOM 786 C C . PRO A 1 104 ? 0.570 -18.653 -77.510 1.00 58.09 ? 104 PRO A C 1 ATOM 787 O O . PRO A 1 104 ? -0.269 -18.975 -78.364 1.00 53.19 ? 104 PRO A O 1 ATOM 788 C CB . PRO A 1 104 ? 2.782 -19.801 -77.190 1.00 36.67 ? 104 PRO A CB 1 ATOM 789 C CG . PRO A 1 104 ? 3.166 -21.186 -76.871 1.00 34.78 ? 104 PRO A CG 1 ATOM 790 C CD . PRO A 1 104 ? 1.931 -21.999 -77.117 1.00 43.90 ? 104 PRO A CD 1 ATOM 791 N N . TYR A 1 105 ? 0.858 -17.390 -77.224 1.00 69.04 ? 105 TYR A N 1 ATOM 792 C CA . TYR A 1 105 ? 0.291 -16.291 -77.991 1.00 70.84 ? 105 TYR A CA 1 ATOM 793 C C . TYR A 1 105 ? 1.404 -15.431 -78.583 1.00 64.58 ? 105 TYR A C 1 ATOM 794 O O . TYR A 1 105 ? 2.233 -14.877 -77.856 1.00 59.77 ? 105 TYR A O 1 ATOM 795 C CB . TYR A 1 105 ? -0.629 -15.440 -77.126 1.00 74.49 ? 105 TYR A CB 1 ATOM 796 C CG . TYR A 1 105 ? -1.598 -14.588 -77.905 1.00 74.47 ? 105 TYR A CG 1 ATOM 797 C CD1 . TYR A 1 105 ? -1.151 -13.544 -78.700 1.00 74.51 ? 105 TYR A CD1 1 ATOM 798 C CD2 . TYR A 1 105 ? -2.964 -14.825 -77.836 1.00 82.00 ? 105 TYR A CD2 1 ATOM 799 C CE1 . TYR A 1 105 ? -2.032 -12.761 -79.407 1.00 87.00 ? 105 TYR A CE1 1 ATOM 800 C CE2 . TYR A 1 105 ? -3.859 -14.046 -78.536 1.00 90.76 ? 105 TYR A CE2 1 ATOM 801 C CZ . TYR A 1 105 ? -3.387 -13.012 -79.324 1.00 97.82 ? 105 TYR A CZ 1 ATOM 802 O OH . TYR A 1 105 ? -4.266 -12.221 -80.034 1.00 109.25 ? 105 TYR A OH 1 ATOM 803 N N . PRO A 1 106 ? 1.415 -15.314 -79.914 1.00 61.91 ? 106 PRO A N 1 ATOM 804 C CA . PRO A 1 106 ? 0.416 -15.954 -80.773 1.00 61.01 ? 106 PRO A CA 1 ATOM 805 C C . PRO A 1 106 ? 0.794 -17.388 -81.105 1.00 63.53 ? 106 PRO A C 1 ATOM 806 O O . PRO A 1 106 ? 1.958 -17.760 -80.929 1.00 64.53 ? 106 PRO A O 1 ATOM 807 C CB . PRO A 1 106 ? 0.453 -15.102 -82.044 1.00 53.13 ? 106 PRO A CB 1 ATOM 808 C CG . PRO A 1 106 ? 1.335 -13.912 -81.707 1.00 54.24 ? 106 PRO A CG 1 ATOM 809 C CD . PRO A 1 106 ? 2.272 -14.403 -80.679 1.00 57.60 ? 106 PRO A CD 1 ATOM 810 N N . ARG A 1 107 ? -0.188 -18.165 -81.558 1.00 62.11 ? 107 ARG A N 1 ATOM 811 C CA . ARG A 1 107 ? 0.003 -19.554 -81.967 1.00 58.23 ? 107 ARG A CA 1 ATOM 812 C C . ARG A 1 107 ? 1.298 -19.680 -82.755 1.00 48.51 ? 107 ARG A C 1 ATOM 813 O O . ARG A 1 107 ? 1.554 -18.881 -83.646 1.00 49.34 ? 107 ARG A O 1 ATOM 814 C CB . ARG A 1 107 ? -1.191 -19.996 -82.813 1.00 61.41 ? 107 ARG A CB 1 ATOM 815 C CG . ARG A 1 107 ? -1.375 -21.490 -82.929 1.00 60.82 ? 107 ARG A CG 1 ATOM 816 C CD . ARG A 1 107 ? -2.859 -21.855 -82.909 1.00 63.61 ? 107 ARG A CD 1 ATOM 817 N NE . ARG A 1 107 ? -3.601 -21.362 -84.072 1.00 66.13 ? 107 ARG A NE 1 ATOM 818 C CZ . ARG A 1 107 ? -4.839 -20.879 -84.009 1.00 70.84 ? 107 ARG A CZ 1 ATOM 819 N NH1 . ARG A 1 107 ? -5.451 -20.804 -82.837 1.00 77.80 ? 107 ARG A NH1 1 ATOM 820 N NH2 . ARG A 1 107 ? -5.459 -20.453 -85.103 1.00 69.30 ? 107 ARG A NH2 1 ATOM 821 N N . PRO A 1 108 ? 2.143 -20.654 -82.406 1.00 46.79 ? 108 PRO A N 1 ATOM 822 C CA . PRO A 1 108 ? 3.480 -20.623 -83.010 1.00 52.50 ? 108 PRO A CA 1 ATOM 823 C C . PRO A 1 108 ? 3.490 -21.089 -84.468 1.00 53.09 ? 108 PRO A C 1 ATOM 824 O O . PRO A 1 108 ? 2.621 -21.846 -84.914 1.00 47.43 ? 108 PRO A O 1 ATOM 825 C CB . PRO A 1 108 ? 4.299 -21.570 -82.116 1.00 51.17 ? 108 PRO A CB 1 ATOM 826 C CG . PRO A 1 108 ? 3.417 -21.914 -80.955 1.00 41.96 ? 108 PRO A CG 1 ATOM 827 C CD . PRO A 1 108 ? 2.009 -21.744 -81.428 1.00 41.91 ? 108 PRO A CD 1 ATOM 828 N N . THR A 1 109 ? 4.484 -20.622 -85.209 1.00 60.71 ? 109 THR A N 1 ATOM 829 C CA . THR A 1 109 ? 4.503 -20.821 -86.651 1.00 72.24 ? 109 THR A CA 1 ATOM 830 C C . THR A 1 109 ? 5.091 -22.186 -87.028 1.00 71.98 ? 109 THR A C 1 ATOM 831 O O . THR A 1 109 ? 4.687 -22.802 -88.025 1.00 68.15 ? 109 THR A O 1 ATOM 832 C CB . THR A 1 109 ? 5.265 -19.672 -87.350 1.00 76.59 ? 109 THR A CB 1 ATOM 833 O OG1 . THR A 1 109 ? 6.658 -19.737 -87.014 1.00 85.05 ? 109 THR A OG1 1 ATOM 834 C CG2 . THR A 1 109 ? 4.708 -18.327 -86.899 1.00 68.75 ? 109 THR A CG2 1 ATOM 835 N N . SER A 1 110 ? 6.046 -22.648 -86.222 1.00 63.10 ? 110 SER A N 1 ATOM 836 C CA . SER A 1 110 ? 6.652 -23.958 -86.410 1.00 54.97 ? 110 SER A CA 1 ATOM 837 C C . SER A 1 110 ? 6.104 -24.872 -85.344 1.00 57.98 ? 110 SER A C 1 ATOM 838 O O . SER A 1 110 ? 5.754 -24.410 -84.270 1.00 70.71 ? 110 SER A O 1 ATOM 839 C CB . SER A 1 110 ? 8.176 -23.872 -86.292 1.00 52.73 ? 110 SER A CB 1 ATOM 840 O OG . SER A 1 110 ? 8.568 -22.880 -85.367 1.00 55.98 ? 110 SER A OG 1 ATOM 841 N N . PRO A 1 111 ? 6.029 -26.176 -85.627 1.00 52.23 ? 111 PRO A N 1 ATOM 842 C CA . PRO A 1 111 ? 5.503 -27.080 -84.600 1.00 49.41 ? 111 PRO A CA 1 ATOM 843 C C . PRO A 1 111 ? 6.404 -27.063 -83.366 1.00 45.14 ? 111 PRO A C 1 ATOM 844 O O . PRO A 1 111 ? 7.621 -27.187 -83.508 1.00 40.78 ? 111 PRO A O 1 ATOM 845 C CB . PRO A 1 111 ? 5.551 -28.441 -85.289 1.00 47.44 ? 111 PRO A CB 1 ATOM 846 C CG . PRO A 1 111 ? 6.673 -28.308 -86.283 1.00 42.97 ? 111 PRO A CG 1 ATOM 847 C CD . PRO A 1 111 ? 6.583 -26.904 -86.781 1.00 46.99 ? 111 PRO A CD 1 ATOM 848 N N . THR A 1 112 ? 5.814 -26.882 -82.184 1.00 48.96 ? 112 THR A N 1 ATOM 849 C CA . THR A 1 112 ? 6.578 -26.797 -80.932 1.00 49.84 ? 112 THR A CA 1 ATOM 850 C C . THR A 1 112 ? 6.254 -27.944 -79.982 1.00 46.54 ? 112 THR A C 1 ATOM 851 O O . THR A 1 112 ? 5.145 -28.481 -80.018 1.00 52.34 ? 112 THR A O 1 ATOM 852 C CB . THR A 1 112 ? 6.315 -25.469 -80.193 1.00 46.13 ? 112 THR A CB 1 ATOM 853 O OG1 . THR A 1 112 ? 5.363 -25.684 -79.151 1.00 31.86 ? 112 THR A OG1 1 ATOM 854 C CG2 . THR A 1 112 ? 5.799 -24.421 -81.154 1.00 39.37 ? 112 THR A CG2 1 ATOM 855 N N . PRO A 1 113 ? 7.225 -28.321 -79.131 1.00 42.37 ? 113 PRO A N 1 ATOM 856 C CA . PRO A 1 113 ? 7.136 -29.402 -78.141 1.00 36.15 ? 113 PRO A CA 1 ATOM 857 C C . PRO A 1 113 ? 5.872 -29.380 -77.302 1.00 34.08 ? 113 PRO A C 1 ATOM 858 O O . PRO A 1 113 ? 5.377 -28.326 -76.925 1.00 27.80 ? 113 PRO A O 1 ATOM 859 C CB . PRO A 1 113 ? 8.331 -29.124 -77.238 1.00 36.53 ? 113 PRO A CB 1 ATOM 860 C CG . PRO A 1 113 ? 9.335 -28.589 -78.150 1.00 48.43 ? 113 PRO A CG 1 ATOM 861 C CD . PRO A 1 113 ? 8.583 -27.750 -79.160 1.00 51.19 ? 113 PRO A CD 1 ATOM 862 N N . VAL A 1 114 ? 5.371 -30.560 -76.982 1.00 31.48 ? 114 VAL A N 1 ATOM 863 C CA . VAL A 1 114 ? 4.144 -30.662 -76.217 1.00 28.34 ? 114 VAL A CA 1 ATOM 864 C C . VAL A 1 114 ? 4.417 -31.290 -74.854 1.00 28.82 ? 114 VAL A C 1 ATOM 865 O O . VAL A 1 114 ? 5.173 -32.262 -74.761 1.00 34.16 ? 114 VAL A O 1 ATOM 866 C CB . VAL A 1 114 ? 3.121 -31.502 -76.990 1.00 33.79 ? 114 VAL A CB 1 ATOM 867 C CG1 . VAL A 1 114 ? 1.868 -31.738 -76.174 1.00 31.03 ? 114 VAL A CG1 1 ATOM 868 C CG2 . VAL A 1 114 ? 2.790 -30.820 -78.296 1.00 44.96 ? 114 VAL A CG2 1 ATOM 869 N N . LEU A 1 115 ? 3.829 -30.711 -73.803 1.00 28.98 ? 115 LEU A N 1 ATOM 870 C CA . LEU A 1 115 ? 3.824 -31.316 -72.459 1.00 30.33 ? 115 LEU A CA 1 ATOM 871 C C . LEU A 1 115 ? 2.430 -31.791 -72.081 1.00 36.04 ? 115 LEU A C 1 ATOM 872 O O . LEU A 1 115 ? 1.477 -31.017 -72.094 1.00 43.03 ? 115 LEU A O 1 ATOM 873 C CB . LEU A 1 115 ? 4.334 -30.345 -71.385 1.00 24.31 ? 115 LEU A CB 1 ATOM 874 C CG . LEU A 1 115 ? 5.842 -30.282 -71.124 1.00 29.86 ? 115 LEU A CG 1 ATOM 875 C CD1 . LEU A 1 115 ? 6.193 -29.192 -70.129 1.00 23.77 ? 115 LEU A CD1 1 ATOM 876 C CD2 . LEU A 1 115 ? 6.350 -31.625 -70.648 1.00 32.62 ? 115 LEU A CD2 1 ATOM 877 N N . VAL A 1 116 ? 2.313 -33.065 -71.735 1.00 36.40 ? 116 VAL A N 1 ATOM 878 C CA . VAL A 1 116 ? 1.027 -33.594 -71.316 1.00 33.45 ? 116 VAL A CA 1 ATOM 879 C C . VAL A 1 116 ? 1.021 -33.949 -69.826 1.00 33.18 ? 116 VAL A C 1 ATOM 880 O O . VAL A 1 116 ? 1.832 -34.758 -69.372 1.00 32.44 ? 116 VAL A O 1 ATOM 881 C CB . VAL A 1 116 ? 0.600 -34.777 -72.190 1.00 28.24 ? 116 VAL A CB 1 ATOM 882 C CG1 . VAL A 1 116 ? -0.750 -35.300 -71.741 1.00 23.74 ? 116 VAL A CG1 1 ATOM 883 C CG2 . VAL A 1 116 ? 0.528 -34.330 -73.631 1.00 20.82 ? 116 VAL A CG2 1 ATOM 884 N N . TRP A 1 117 ? 0.113 -33.316 -69.080 1.00 31.93 ? 117 TRP A N 1 ATOM 885 C CA . TRP A 1 117 ? 0.015 -33.483 -67.633 1.00 24.99 ? 117 TRP A CA 1 ATOM 886 C C . TRP A 1 117 ? -0.996 -34.549 -67.214 1.00 22.98 ? 117 TRP A C 1 ATOM 887 O O . TRP A 1 117 ? -2.156 -34.525 -67.629 1.00 23.77 ? 117 TRP A O 1 ATOM 888 C CB . TRP A 1 117 ? -0.345 -32.152 -66.957 1.00 29.52 ? 117 TRP A CB 1 ATOM 889 C CG . TRP A 1 117 ? -0.537 -32.274 -65.452 1.00 42.40 ? 117 TRP A CG 1 ATOM 890 C CD1 . TRP A 1 117 ? -1.710 -32.163 -64.764 1.00 46.19 ? 117 TRP A CD1 1 ATOM 891 C CD2 . TRP A 1 117 ? 0.477 -32.547 -64.468 1.00 42.01 ? 117 TRP A CD2 1 ATOM 892 N NE1 . TRP A 1 117 ? -1.492 -32.346 -63.419 1.00 42.60 ? 117 TRP A NE1 1 ATOM 893 C CE2 . TRP A 1 117 ? -0.158 -32.581 -63.212 1.00 40.91 ? 117 TRP A CE2 1 ATOM 894 C CE3 . TRP A 1 117 ? 1.858 -32.760 -64.528 1.00 40.19 ? 117 TRP A CE3 1 ATOM 895 C CZ2 . TRP A 1 117 ? 0.543 -32.821 -62.026 1.00 40.31 ? 117 TRP A CZ2 1 ATOM 896 C CZ3 . TRP A 1 117 ? 2.548 -33.002 -63.353 1.00 35.94 ? 117 TRP A CZ3 1 ATOM 897 C CH2 . TRP A 1 117 ? 1.890 -33.033 -62.120 1.00 36.37 ? 117 TRP A CH2 1 ATOM 898 N N . ILE A 1 118 ? -0.549 -35.474 -66.377 1.00 20.93 ? 118 ILE A N 1 ATOM 899 C CA . ILE A 1 118 ? -1.448 -36.443 -65.762 1.00 27.57 ? 118 ILE A CA 1 ATOM 900 C C . ILE A 1 118 ? -1.444 -36.293 -64.245 1.00 33.65 ? 118 ILE A C 1 ATOM 901 O O . ILE A 1 118 ? -0.451 -36.620 -63.587 1.00 40.59 ? 118 ILE A O 1 ATOM 902 C CB . ILE A 1 118 ? -1.037 -37.877 -66.094 1.00 24.89 ? 118 ILE A CB 1 ATOM 903 C CG1 . ILE A 1 118 ? -0.978 -38.070 -67.609 1.00 16.83 ? 118 ILE A CG1 1 ATOM 904 C CG2 . ILE A 1 118 ? -1.999 -38.857 -65.443 1.00 16.18 ? 118 ILE A CG2 1 ATOM 905 C CD1 . ILE A 1 118 ? -0.421 -39.409 -68.027 1.00 16.48 ? 118 ILE A CD1 1 ATOM 906 N N . TYR A 1 119 ? -2.558 -35.819 -63.690 1.00 29.87 ? 119 TYR A N 1 ATOM 907 C CA . TYR A 1 119 ? -2.640 -35.556 -62.252 1.00 27.98 ? 119 TYR A CA 1 ATOM 908 C C . TYR A 1 119 ? -2.558 -36.806 -61.350 1.00 26.29 ? 119 TYR A C 1 ATOM 909 O O . TYR A 1 119 ? -2.848 -37.923 -61.783 1.00 24.76 ? 119 TYR A O 1 ATOM 910 C CB . TYR A 1 119 ? -3.885 -34.714 -61.922 1.00 21.33 ? 119 TYR A CB 1 ATOM 911 C CG . TYR A 1 119 ? -5.210 -35.345 -62.295 1.00 19.88 ? 119 TYR A CG 1 ATOM 912 C CD1 . TYR A 1 119 ? -5.671 -36.474 -61.638 1.00 25.62 ? 119 TYR A CD1 1 ATOM 913 C CD2 . TYR A 1 119 ? -6.015 -34.791 -63.281 1.00 25.91 ? 119 TYR A CD2 1 ATOM 914 C CE1 . TYR A 1 119 ? -6.883 -37.053 -61.966 1.00 32.15 ? 119 TYR A CE1 1 ATOM 915 C CE2 . TYR A 1 119 ? -7.229 -35.366 -63.621 1.00 32.98 ? 119 TYR A CE2 1 ATOM 916 C CZ . TYR A 1 119 ? -7.657 -36.500 -62.959 1.00 31.24 ? 119 TYR A CZ 1 ATOM 917 O OH . TYR A 1 119 ? -8.860 -37.090 -63.269 1.00 21.22 ? 119 TYR A OH 1 ATOM 918 N N . GLY A 1 120 ? -2.160 -36.601 -60.095 1.00 28.31 ? 120 GLY A N 1 ATOM 919 C CA . GLY A 1 120 ? -2.165 -37.659 -59.093 1.00 33.49 ? 120 GLY A CA 1 ATOM 920 C C . GLY A 1 120 ? -3.393 -37.614 -58.195 1.00 32.41 ? 120 GLY A C 1 ATOM 921 O O . GLY A 1 120 ? -4.333 -36.867 -58.468 1.00 30.00 ? 120 GLY A O 1 ATOM 922 N N . GLY A 1 121 ? -3.388 -38.414 -57.126 1.00 33.76 ? 121 GLY A N 1 ATOM 923 C CA . GLY A 1 121 ? -4.517 -38.489 -56.205 1.00 28.44 ? 121 GLY A CA 1 ATOM 924 C C . GLY A 1 121 ? -4.987 -39.912 -55.938 1.00 29.38 ? 121 GLY A C 1 ATOM 925 O O . GLY A 1 121 ? -6.196 -40.173 -55.839 1.00 25.41 ? 121 GLY A O 1 ATOM 926 N N . GLY A 1 122 ? -4.020 -40.830 -55.857 1.00 25.18 ? 122 GLY A N 1 ATOM 927 C CA . GLY A 1 122 ? -4.245 -42.226 -55.511 1.00 21.63 ? 122 GLY A CA 1 ATOM 928 C C . GLY A 1 122 ? -5.140 -43.057 -56.414 1.00 30.17 ? 122 GLY A C 1 ATOM 929 O O . GLY A 1 122 ? -5.518 -44.173 -56.045 1.00 41.54 ? 122 GLY A O 1 ATOM 930 N N . PHE A 1 123 ? -5.451 -42.533 -57.599 1.00 22.96 ? 123 PHE A N 1 ATOM 931 C CA . PHE A 1 123 ? -6.451 -43.121 -58.509 1.00 26.40 ? 123 PHE A CA 1 ATOM 932 C C . PHE A 1 123 ? -7.860 -43.063 -57.906 1.00 37.04 ? 123 PHE A C 1 ATOM 933 O O . PHE A 1 123 ? -8.796 -43.649 -58.466 1.00 37.65 ? 123 PHE A O 1 ATOM 934 C CB . PHE A 1 123 ? -6.130 -44.570 -58.937 1.00 21.73 ? 123 PHE A CB 1 ATOM 935 C CG . PHE A 1 123 ? -4.773 -44.751 -59.576 1.00 23.46 ? 123 PHE A CG 1 ATOM 936 C CD1 . PHE A 1 123 ? -4.524 -44.301 -60.848 1.00 30.49 ? 123 PHE A CD1 1 ATOM 937 C CD2 . PHE A 1 123 ? -3.765 -45.419 -58.914 1.00 26.24 ? 123 PHE A CD2 1 ATOM 938 C CE1 . PHE A 1 123 ? -3.286 -44.483 -61.434 1.00 32.69 ? 123 PHE A CE1 1 ATOM 939 C CE2 . PHE A 1 123 ? -2.535 -45.598 -59.488 1.00 26.12 ? 123 PHE A CE2 1 ATOM 940 C CZ . PHE A 1 123 ? -2.294 -45.131 -60.748 1.00 32.34 ? 123 PHE A CZ 1 ATOM 941 N N . TYR A 1 124 ? -8.004 -42.372 -56.769 1.00 35.81 ? 124 TYR A N 1 ATOM 942 C CA . TYR A 1 124 ? -9.317 -42.150 -56.161 1.00 30.63 ? 124 TYR A CA 1 ATOM 943 C C . TYR A 1 124 ? -9.778 -40.699 -56.309 1.00 37.65 ? 124 TYR A C 1 ATOM 944 O O . TYR A 1 124 ? -10.967 -40.420 -56.179 1.00 43.98 ? 124 TYR A O 1 ATOM 945 C CB . TYR A 1 124 ? -9.371 -42.605 -54.684 1.00 29.58 ? 124 TYR A CB 1 ATOM 946 C CG . TYR A 1 124 ? -8.593 -41.742 -53.685 1.00 34.25 ? 124 TYR A CG 1 ATOM 947 C CD1 . TYR A 1 124 ? -9.145 -40.586 -53.126 1.00 35.43 ? 124 TYR A CD1 1 ATOM 948 C CD2 . TYR A 1 124 ? -7.317 -42.100 -53.285 1.00 26.82 ? 124 TYR A CD2 1 ATOM 949 C CE1 . TYR A 1 124 ? -8.426 -39.810 -52.209 1.00 18.96 ? 124 TYR A CE1 1 ATOM 950 C CE2 . TYR A 1 124 ? -6.603 -41.330 -52.380 1.00 28.74 ? 124 TYR A CE2 1 ATOM 951 C CZ . TYR A 1 124 ? -7.151 -40.196 -51.841 1.00 28.59 ? 124 TYR A CZ 1 ATOM 952 O OH . TYR A 1 124 ? -6.389 -39.472 -50.944 1.00 25.15 ? 124 TYR A OH 1 ATOM 953 N N . SER A 1 125 ? -8.846 -39.782 -56.582 1.00 17.86 ? 125 SER A N 1 ATOM 954 C CA . SER A 1 125 ? -9.190 -38.364 -56.703 1.00 23.64 ? 125 SER A CA 1 ATOM 955 C C . SER A 1 125 ? -8.319 -37.638 -57.720 1.00 28.53 ? 125 SER A C 1 ATOM 956 O O . SER A 1 125 ? -7.309 -38.177 -58.170 1.00 34.65 ? 125 SER A O 1 ATOM 957 C CB . SER A 1 125 ? -9.048 -37.664 -55.348 1.00 26.48 ? 125 SER A CB 1 ATOM 958 O OG . SER A 1 125 ? -7.684 -37.582 -54.952 1.00 24.66 ? 125 SER A OG 1 ATOM 959 N N . GLY A 1 126 ? -8.703 -36.406 -58.066 1.00 27.64 ? 126 GLY A N 1 ATOM 960 C CA . GLY A 1 126 ? -7.891 -35.547 -58.919 1.00 22.79 ? 126 GLY A CA 1 ATOM 961 C C . GLY A 1 126 ? -8.675 -34.874 -60.037 1.00 33.55 ? 126 GLY A C 1 ATOM 962 O O . GLY A 1 126 ? -9.709 -35.375 -60.484 1.00 33.68 ? 126 GLY A O 1 ATOM 963 N N . ALA A 1 127 ? -8.194 -33.725 -60.498 1.00 40.44 ? 127 ALA A N 1 ATOM 964 C CA . ALA A 1 127 ? -8.808 -33.075 -61.649 1.00 39.10 ? 127 ALA A CA 1 ATOM 965 C C . ALA A 1 127 ? -7.837 -32.132 -62.335 1.00 39.81 ? 127 ALA A C 1 ATOM 966 O O . ALA A 1 127 ? -7.052 -31.444 -61.680 1.00 35.46 ? 127 ALA A O 1 ATOM 967 C CB . ALA A 1 127 ? -10.064 -32.342 -61.256 1.00 21.02 ? 127 ALA A CB 1 ATOM 968 N N . SER A 1 128 ? -7.910 -32.106 -63.665 1.00 44.09 ? 128 SER A N 1 ATOM 969 C CA . SER A 1 128 ? -7.069 -31.243 -64.486 1.00 39.86 ? 128 SER A CA 1 ATOM 970 C C . SER A 1 128 ? -7.450 -29.784 -64.305 1.00 37.57 ? 128 SER A C 1 ATOM 971 O O . SER A 1 128 ? -6.745 -28.896 -64.779 1.00 41.04 ? 128 SER A O 1 ATOM 972 C CB . SER A 1 128 ? -7.236 -31.613 -65.948 1.00 36.83 ? 128 SER A CB 1 ATOM 973 O OG . SER A 1 128 ? -8.609 -31.545 -66.287 1.00 38.72 ? 128 SER A OG 1 ATOM 974 N N . SER A 1 129 ? -8.564 -29.546 -63.618 1.00 31.34 ? 129 SER A N 1 ATOM 975 C CA . SER A 1 129 ? -9.074 -28.193 -63.407 1.00 33.53 ? 129 SER A CA 1 ATOM 976 C C . SER A 1 129 ? -8.462 -27.448 -62.225 1.00 35.28 ? 129 SER A C 1 ATOM 977 O O . SER A 1 129 ? -8.558 -26.219 -62.160 1.00 37.58 ? 129 SER A O 1 ATOM 978 C CB . SER A 1 129 ? -10.598 -28.210 -63.264 1.00 36.05 ? 129 SER A CB 1 ATOM 979 O OG . SER A 1 129 ? -11.021 -29.209 -62.357 1.00 36.44 ? 129 SER A OG 1 ATOM 980 N N . LEU A 1 130 ? -7.852 -28.189 -61.298 1.00 35.56 ? 130 LEU A N 1 ATOM 981 C CA . LEU A 1 130 ? -7.289 -27.615 -60.069 1.00 34.52 ? 130 LEU A CA 1 ATOM 982 C C . LEU A 1 130 ? -6.333 -26.458 -60.366 1.00 38.21 ? 130 LEU A C 1 ATOM 983 O O . LEU A 1 130 ? -5.509 -26.544 -61.280 1.00 40.94 ? 130 LEU A O 1 ATOM 984 C CB . LEU A 1 130 ? -6.589 -28.691 -59.242 1.00 22.43 ? 130 LEU A CB 1 ATOM 985 C CG . LEU A 1 130 ? -7.461 -29.884 -58.851 1.00 30.36 ? 130 LEU A CG 1 ATOM 986 C CD1 . LEU A 1 130 ? -6.699 -30.899 -57.999 1.00 26.89 ? 130 LEU A CD1 1 ATOM 987 C CD2 . LEU A 1 130 ? -8.702 -29.404 -58.128 1.00 34.82 ? 130 LEU A CD2 1 ATOM 988 N N . ASP A 1 131 ? -6.458 -25.382 -59.589 1.00 38.10 ? 131 ASP A N 1 ATOM 989 C CA . ASP A 1 131 ? -5.775 -24.111 -59.858 1.00 37.41 ? 131 ASP A CA 1 ATOM 990 C C . ASP A 1 131 ? -4.255 -24.243 -59.895 1.00 33.49 ? 131 ASP A C 1 ATOM 991 O O . ASP A 1 131 ? -3.555 -23.375 -60.427 1.00 27.84 ? 131 ASP A O 1 ATOM 992 C CB . ASP A 1 131 ? -6.180 -23.052 -58.822 1.00 41.66 ? 131 ASP A CB 1 ATOM 993 C CG . ASP A 1 131 ? -7.683 -22.795 -58.799 1.00 55.64 ? 131 ASP A CG 1 ATOM 994 O OD1 . ASP A 1 131 ? -8.425 -23.535 -59.478 1.00 60.54 ? 131 ASP A OD1 1 ATOM 995 O OD2 . ASP A 1 131 ? -8.128 -21.860 -58.097 1.00 61.57 ? 131 ASP A OD2 1 ATOM 996 N N . VAL A 1 132 ? -3.755 -25.333 -59.321 1.00 30.21 ? 132 VAL A N 1 ATOM 997 C CA . VAL A 1 132 ? -2.325 -25.574 -59.237 1.00 34.36 ? 132 VAL A CA 1 ATOM 998 C C . VAL A 1 132 ? -1.856 -26.249 -60.520 1.00 53.31 ? 132 VAL A C 1 ATOM 999 O O . VAL A 1 132 ? -0.652 -26.378 -60.763 1.00 63.56 ? 132 VAL A O 1 ATOM 1000 C CB . VAL A 1 132 ? -1.991 -26.448 -58.015 1.00 31.35 ? 132 VAL A CB 1 ATOM 1001 C CG1 . VAL A 1 132 ? -2.615 -27.829 -58.153 1.00 22.49 ? 132 VAL A CG1 1 ATOM 1002 C CG2 . VAL A 1 132 ? -0.489 -26.547 -57.803 1.00 32.99 ? 132 VAL A CG2 1 ATOM 1003 N N . TYR A 1 133 ? -2.816 -26.670 -61.345 1.00 55.29 ? 133 TYR A N 1 ATOM 1004 C CA . TYR A 1 133 ? -2.519 -27.334 -62.612 1.00 49.54 ? 133 TYR A CA 1 ATOM 1005 C C . TYR A 1 133 ? -2.822 -26.431 -63.802 1.00 55.08 ? 133 TYR A C 1 ATOM 1006 O O . TYR A 1 133 ? -3.038 -26.916 -64.912 1.00 58.02 ? 133 TYR A O 1 ATOM 1007 C CB . TYR A 1 133 ? -3.327 -28.623 -62.757 1.00 44.61 ? 133 TYR A CB 1 ATOM 1008 C CG . TYR A 1 133 ? -3.090 -29.655 -61.680 1.00 39.70 ? 133 TYR A CG 1 ATOM 1009 C CD1 . TYR A 1 133 ? -1.827 -29.851 -61.136 1.00 42.16 ? 133 TYR A CD1 1 ATOM 1010 C CD2 . TYR A 1 133 ? -4.140 -30.442 -61.210 1.00 33.74 ? 133 TYR A CD2 1 ATOM 1011 C CE1 . TYR A 1 133 ? -1.621 -30.798 -60.151 1.00 47.12 ? 133 TYR A CE1 1 ATOM 1012 C CE2 . TYR A 1 133 ? -3.944 -31.384 -60.231 1.00 33.57 ? 133 TYR A CE2 1 ATOM 1013 C CZ . TYR A 1 133 ? -2.686 -31.559 -59.701 1.00 43.10 ? 133 TYR A CZ 1 ATOM 1014 O OH . TYR A 1 133 ? -2.492 -32.502 -58.716 1.00 43.95 ? 133 TYR A OH 1 ATOM 1015 N N . ASP A 1 134 ? -2.852 -25.122 -63.562 1.00 57.28 ? 134 ASP A N 1 ATOM 1016 C CA . ASP A 1 134 ? -3.072 -24.132 -64.615 1.00 56.97 ? 134 ASP A CA 1 ATOM 1017 C C . ASP A 1 134 ? -1.806 -23.984 -65.462 1.00 54.01 ? 134 ASP A C 1 ATOM 1018 O O . ASP A 1 134 ? -0.739 -23.660 -64.940 1.00 47.57 ? 134 ASP A O 1 ATOM 1019 C CB . ASP A 1 134 ? -3.437 -22.787 -63.986 1.00 62.94 ? 134 ASP A CB 1 ATOM 1020 C CG . ASP A 1 134 ? -4.084 -21.835 -64.966 1.00 68.78 ? 134 ASP A CG 1 ATOM 1021 O OD1 . ASP A 1 134 ? -4.654 -22.309 -65.970 1.00 70.61 ? 134 ASP A OD1 1 ATOM 1022 O OD2 . ASP A 1 134 ? -4.037 -20.610 -64.717 1.00 70.94 ? 134 ASP A OD2 1 ATOM 1023 N N . GLY A 1 135 ? -1.925 -24.221 -66.767 1.00 55.35 ? 135 GLY A N 1 ATOM 1024 C CA . GLY A 1 135 ? -0.773 -24.228 -67.652 1.00 47.47 ? 135 GLY A CA 1 ATOM 1025 C C . GLY A 1 135 ? -0.338 -22.875 -68.195 1.00 42.99 ? 135 GLY A C 1 ATOM 1026 O O . GLY A 1 135 ? 0.643 -22.794 -68.925 1.00 46.02 ? 135 GLY A O 1 ATOM 1027 N N . ARG A 1 136 ? -1.033 -21.806 -67.828 1.00 38.80 ? 136 ARG A N 1 ATOM 1028 C CA . ARG A 1 136 ? -0.777 -20.513 -68.456 1.00 47.16 ? 136 ARG A CA 1 ATOM 1029 C C . ARG A 1 136 ? 0.638 -19.947 -68.242 1.00 56.67 ? 136 ARG A C 1 ATOM 1030 O O . ARG A 1 136 ? 1.196 -19.344 -69.157 1.00 63.17 ? 136 ARG A O 1 ATOM 1031 C CB . ARG A 1 136 ? -1.839 -19.482 -68.061 1.00 45.57 ? 136 ARG A CB 1 ATOM 1032 C CG . ARG A 1 136 ? -1.769 -19.035 -66.612 1.00 38.90 ? 136 ARG A CG 1 ATOM 1033 C CD . ARG A 1 136 ? -2.773 -17.934 -66.334 1.00 37.54 ? 136 ARG A CD 1 ATOM 1034 N NE . ARG A 1 136 ? -4.097 -18.442 -65.992 1.00 37.08 ? 136 ARG A NE 1 ATOM 1035 C CZ . ARG A 1 136 ? -5.169 -17.669 -65.865 1.00 46.19 ? 136 ARG A CZ 1 ATOM 1036 N NH1 . ARG A 1 136 ? -5.062 -16.363 -66.066 1.00 45.48 ? 136 ARG A NH1 1 ATOM 1037 N NH2 . ARG A 1 136 ? -6.345 -18.196 -65.546 1.00 54.08 ? 136 ARG A NH2 1 ATOM 1038 N N . PHE A 1 137 ? 1.221 -20.138 -67.059 1.00 51.23 ? 137 PHE A N 1 ATOM 1039 C CA . PHE A 1 137 ? 2.550 -19.581 -66.776 1.00 48.09 ? 137 PHE A CA 1 ATOM 1040 C C . PHE A 1 137 ? 3.646 -20.349 -67.499 1.00 46.88 ? 137 PHE A C 1 ATOM 1041 O O . PHE A 1 137 ? 4.570 -19.764 -68.063 1.00 47.61 ? 137 PHE A O 1 ATOM 1042 C CB . PHE A 1 137 ? 2.846 -19.595 -65.279 1.00 43.30 ? 137 PHE A CB 1 ATOM 1043 C CG . PHE A 1 137 ? 1.769 -18.986 -64.447 1.00 45.47 ? 137 PHE A CG 1 ATOM 1044 C CD1 . PHE A 1 137 ? 1.700 -17.615 -64.276 1.00 54.07 ? 137 PHE A CD1 1 ATOM 1045 C CD2 . PHE A 1 137 ? 0.825 -19.782 -63.832 1.00 49.98 ? 137 PHE A CD2 1 ATOM 1046 C CE1 . PHE A 1 137 ? 0.704 -17.044 -63.508 1.00 60.99 ? 137 PHE A CE1 1 ATOM 1047 C CE2 . PHE A 1 137 ? -0.177 -19.223 -63.062 1.00 60.92 ? 137 PHE A CE2 1 ATOM 1048 C CZ . PHE A 1 137 ? -0.239 -17.848 -62.900 1.00 65.16 ? 137 PHE A CZ 1 ATOM 1049 N N . LEU A 1 138 ? 3.531 -21.670 -67.456 1.00 44.81 ? 138 LEU A N 1 ATOM 1050 C CA . LEU A 1 138 ? 4.488 -22.582 -68.071 1.00 41.43 ? 138 LEU A CA 1 ATOM 1051 C C . LEU A 1 138 ? 4.520 -22.437 -69.598 1.00 40.21 ? 138 LEU A C 1 ATOM 1052 O O . LEU A 1 138 ? 5.578 -22.512 -70.232 1.00 33.90 ? 138 LEU A O 1 ATOM 1053 C CB . LEU A 1 138 ? 4.108 -24.012 -67.695 1.00 32.39 ? 138 LEU A CB 1 ATOM 1054 C CG . LEU A 1 138 ? 5.113 -25.095 -68.043 1.00 26.57 ? 138 LEU A CG 1 ATOM 1055 C CD1 . LEU A 1 138 ? 6.438 -24.781 -67.389 1.00 38.19 ? 138 LEU A CD1 1 ATOM 1056 C CD2 . LEU A 1 138 ? 4.593 -26.432 -67.589 1.00 24.98 ? 138 LEU A CD2 1 ATOM 1057 N N . VAL A 1 139 ? 3.344 -22.235 -70.177 1.00 40.73 ? 139 VAL A N 1 ATOM 1058 C CA . VAL A 1 139 ? 3.215 -22.036 -71.609 1.00 39.71 ? 139 VAL A CA 1 ATOM 1059 C C . VAL A 1 139 ? 3.727 -20.653 -72.011 1.00 40.76 ? 139 VAL A C 1 ATOM 1060 O O . VAL A 1 139 ? 4.515 -20.546 -72.937 1.00 37.17 ? 139 VAL A O 1 ATOM 1061 C CB . VAL A 1 139 ? 1.762 -22.254 -72.064 1.00 40.49 ? 139 VAL A CB 1 ATOM 1062 C CG1 . VAL A 1 139 ? 1.572 -21.803 -73.493 1.00 31.79 ? 139 VAL A CG1 1 ATOM 1063 C CG2 . VAL A 1 139 ? 1.399 -23.722 -71.906 1.00 30.19 ? 139 VAL A CG2 1 ATOM 1064 N N . GLN A 1 140 ? 3.305 -19.607 -71.299 1.00 47.11 ? 140 GLN A N 1 ATOM 1065 C CA . GLN A 1 140 ? 3.791 -18.244 -71.545 1.00 35.79 ? 140 GLN A CA 1 ATOM 1066 C C . GLN A 1 140 ? 5.306 -18.132 -71.398 1.00 41.08 ? 140 GLN A C 1 ATOM 1067 O O . GLN A 1 140 ? 5.957 -17.472 -72.194 1.00 37.77 ? 140 GLN A O 1 ATOM 1068 C CB . GLN A 1 140 ? 3.119 -17.250 -70.592 1.00 36.63 ? 140 GLN A CB 1 ATOM 1069 C CG . GLN A 1 140 ? 3.218 -15.784 -71.010 1.00 40.70 ? 140 GLN A CG 1 ATOM 1070 C CD . GLN A 1 140 ? 4.614 -15.197 -70.870 1.00 43.79 ? 140 GLN A CD 1 ATOM 1071 O OE1 . GLN A 1 140 ? 5.346 -15.526 -69.937 1.00 39.45 ? 140 GLN A OE1 1 ATOM 1072 N NE2 . GLN A 1 140 ? 4.994 -14.332 -71.813 1.00 48.47 ? 140 GLN A NE2 1 ATOM 1073 N N . ALA A 1 141 ? 5.863 -18.757 -70.367 1.00 43.10 ? 141 ALA A N 1 ATOM 1074 C CA . ALA A 1 141 ? 7.285 -18.616 -70.072 1.00 41.52 ? 141 ALA A CA 1 ATOM 1075 C C . ALA A 1 141 ? 8.167 -19.411 -71.027 1.00 44.83 ? 141 ALA A C 1 ATOM 1076 O O . ALA A 1 141 ? 9.153 -18.887 -71.543 1.00 50.74 ? 141 ALA A O 1 ATOM 1077 C CB . ALA A 1 141 ? 7.576 -19.006 -68.632 1.00 39.98 ? 141 ALA A CB 1 ATOM 1078 N N . GLU A 1 142 ? 7.819 -20.672 -71.264 1.00 42.35 ? 142 GLU A N 1 ATOM 1079 C CA . GLU A 1 142 ? 8.678 -21.553 -72.056 1.00 42.99 ? 142 GLU A CA 1 ATOM 1080 C C . GLU A 1 142 ? 8.242 -21.724 -73.512 1.00 48.48 ? 142 GLU A C 1 ATOM 1081 O O . GLU A 1 142 ? 8.931 -22.369 -74.309 1.00 44.44 ? 142 GLU A O 1 ATOM 1082 C CB . GLU A 1 142 ? 8.816 -22.909 -71.368 1.00 39.45 ? 142 GLU A CB 1 ATOM 1083 C CG . GLU A 1 142 ? 9.592 -22.838 -70.066 1.00 44.11 ? 142 GLU A CG 1 ATOM 1084 C CD . GLU A 1 142 ? 11.009 -22.302 -70.253 1.00 54.05 ? 142 GLU A CD 1 ATOM 1085 O OE1 . GLU A 1 142 ? 11.611 -22.539 -71.325 1.00 51.97 ? 142 GLU A OE1 1 ATOM 1086 O OE2 . GLU A 1 142 ? 11.521 -21.635 -69.325 1.00 63.35 ? 142 GLU A OE2 1 ATOM 1087 N N . ARG A 1 143 ? 7.107 -21.118 -73.849 1.00 54.16 ? 143 ARG A N 1 ATOM 1088 C CA . ARG A 1 143 ? 6.536 -21.174 -75.194 1.00 47.79 ? 143 ARG A CA 1 ATOM 1089 C C . ARG A 1 143 ? 6.524 -22.586 -75.747 1.00 40.98 ? 143 ARG A C 1 ATOM 1090 O O . ARG A 1 143 ? 7.233 -22.910 -76.701 1.00 37.68 ? 143 ARG A O 1 ATOM 1091 C CB . ARG A 1 143 ? 7.212 -20.179 -76.141 1.00 47.07 ? 143 ARG A CB 1 ATOM 1092 C CG . ARG A 1 143 ? 6.786 -18.735 -75.876 1.00 52.85 ? 143 ARG A CG 1 ATOM 1093 C CD . ARG A 1 143 ? 7.300 -17.758 -76.930 1.00 66.05 ? 143 ARG A CD 1 ATOM 1094 N NE . ARG A 1 143 ? 6.582 -17.850 -78.202 1.00 73.11 ? 143 ARG A NE 1 ATOM 1095 C CZ . ARG A 1 143 ? 5.381 -17.320 -78.430 1.00 75.02 ? 143 ARG A CZ 1 ATOM 1096 N NH1 . ARG A 1 143 ? 4.740 -16.666 -77.465 1.00 71.03 ? 143 ARG A NH1 1 ATOM 1097 N NH2 . ARG A 1 143 ? 4.815 -17.454 -79.624 1.00 75.33 ? 143 ARG A NH2 1 ATOM 1098 N N . THR A 1 144 ? 5.732 -23.424 -75.088 1.00 41.88 ? 144 THR A N 1 ATOM 1099 C CA . THR A 1 144 ? 5.462 -24.783 -75.531 1.00 46.19 ? 144 THR A CA 1 ATOM 1100 C C . THR A 1 144 ? 3.972 -25.034 -75.353 1.00 41.47 ? 144 THR A C 1 ATOM 1101 O O . THR A 1 144 ? 3.279 -24.230 -74.742 1.00 43.70 ? 144 THR A O 1 ATOM 1102 C CB . THR A 1 144 ? 6.214 -25.823 -74.685 1.00 49.21 ? 144 THR A CB 1 ATOM 1103 O OG1 . THR A 1 144 ? 5.456 -26.113 -73.503 1.00 39.84 ? 144 THR A OG1 1 ATOM 1104 C CG2 . THR A 1 144 ? 7.606 -25.318 -74.295 1.00 53.46 ? 144 THR A CG2 1 ATOM 1105 N N . VAL A 1 145 ? 3.481 -26.150 -75.879 1.00 41.86 ? 145 VAL A N 1 ATOM 1106 C CA . VAL A 1 145 ? 2.064 -26.485 -75.756 1.00 42.15 ? 145 VAL A CA 1 ATOM 1107 C C . VAL A 1 145 ? 1.846 -27.477 -74.613 1.00 40.47 ? 145 VAL A C 1 ATOM 1108 O O . VAL A 1 145 ? 2.581 -28.451 -74.472 1.00 46.37 ? 145 VAL A O 1 ATOM 1109 C CB . VAL A 1 145 ? 1.481 -27.024 -77.081 1.00 42.52 ? 145 VAL A CB 1 ATOM 1110 C CG1 . VAL A 1 145 ? -0.004 -27.269 -76.944 1.00 27.92 ? 145 VAL A CG1 1 ATOM 1111 C CG2 . VAL A 1 145 ? 1.744 -26.029 -78.199 1.00 30.09 ? 145 VAL A CG2 1 ATOM 1112 N N . LEU A 1 146 ? 0.842 -27.198 -73.789 1.00 33.99 ? 146 LEU A N 1 ATOM 1113 C CA . LEU A 1 146 ? 0.570 -27.966 -72.591 1.00 28.69 ? 146 LEU A CA 1 ATOM 1114 C C . LEU A 1 146 ? -0.842 -28.507 -72.707 1.00 27.09 ? 146 LEU A C 1 ATOM 1115 O O . LEU A 1 146 ? -1.785 -27.766 -72.993 1.00 27.09 ? 146 LEU A O 1 ATOM 1116 C CB . LEU A 1 146 ? 0.707 -27.066 -71.344 1.00 36.18 ? 146 LEU A CB 1 ATOM 1117 C CG . LEU A 1 146 ? 0.779 -27.544 -69.874 1.00 36.35 ? 146 LEU A CG 1 ATOM 1118 C CD1 . LEU A 1 146 ? -0.518 -28.149 -69.333 1.00 32.39 ? 146 LEU A CD1 1 ATOM 1119 C CD2 . LEU A 1 146 ? 1.916 -28.509 -69.667 1.00 36.24 ? 146 LEU A CD2 1 ATOM 1120 N N . VAL A 1 147 ? -0.984 -29.806 -72.481 1.00 32.33 ? 147 VAL A N 1 ATOM 1121 C CA . VAL A 1 147 ? -2.287 -30.453 -72.496 1.00 37.70 ? 147 VAL A CA 1 ATOM 1122 C C . VAL A 1 147 ? -2.451 -31.241 -71.217 1.00 32.74 ? 147 VAL A C 1 ATOM 1123 O O . VAL A 1 147 ? -1.518 -31.905 -70.778 1.00 32.67 ? 147 VAL A O 1 ATOM 1124 C CB . VAL A 1 147 ? -2.416 -31.436 -73.666 1.00 45.09 ? 147 VAL A CB 1 ATOM 1125 C CG1 . VAL A 1 147 ? -3.834 -31.958 -73.751 1.00 22.57 ? 147 VAL A CG1 1 ATOM 1126 C CG2 . VAL A 1 147 ? -1.998 -30.773 -74.960 1.00 23.86 ? 147 VAL A CG2 1 ATOM 1127 N N . SER A 1 148 ? -3.630 -31.156 -70.614 1.00 36.31 ? 148 SER A N 1 ATOM 1128 C CA . SER A 1 148 ? -3.957 -31.963 -69.438 1.00 35.15 ? 148 SER A CA 1 ATOM 1129 C C . SER A 1 148 ? -5.290 -32.635 -69.709 1.00 32.05 ? 148 SER A C 1 ATOM 1130 O O . SER A 1 148 ? -6.033 -32.208 -70.593 1.00 34.53 ? 148 SER A O 1 ATOM 1131 C CB . SER A 1 148 ? -4.063 -31.089 -68.190 1.00 33.30 ? 148 SER A CB 1 ATOM 1132 O OG . SER A 1 148 ? -5.189 -30.219 -68.258 1.00 30.79 ? 148 SER A OG 1 ATOM 1133 N N . MET A 1 149 ? -5.604 -33.690 -68.972 1.00 31.67 ? 149 MET A N 1 ATOM 1134 C CA . MET A 1 149 ? -6.894 -34.337 -69.172 1.00 32.61 ? 149 MET A CA 1 ATOM 1135 C C . MET A 1 149 ? -7.480 -34.984 -67.923 1.00 37.16 ? 149 MET A C 1 ATOM 1136 O O . MET A 1 149 ? -6.756 -35.445 -67.028 1.00 36.42 ? 149 MET A O 1 ATOM 1137 C CB . MET A 1 149 ? -6.803 -35.387 -70.270 1.00 23.22 ? 149 MET A CB 1 ATOM 1138 C CG . MET A 1 149 ? -6.418 -36.757 -69.756 1.00 21.00 ? 149 MET A CG 1 ATOM 1139 S SD . MET A 1 149 ? -4.708 -36.819 -69.174 1.00 29.81 ? 149 MET A SD 1 ATOM 1140 C CE . MET A 1 149 ? -3.946 -37.665 -70.560 1.00 18.23 ? 149 MET A CE 1 ATOM 1141 N N . ASN A 1 150 ? -8.807 -35.011 -67.880 1.00 32.88 ? 150 ASN A N 1 ATOM 1142 C CA . ASN A 1 150 ? -9.513 -35.775 -66.876 1.00 26.83 ? 150 ASN A CA 1 ATOM 1143 C C . ASN A 1 150 ? -9.475 -37.251 -67.227 1.00 22.78 ? 150 ASN A C 1 ATOM 1144 O O . ASN A 1 150 ? -9.434 -37.621 -68.403 1.00 27.86 ? 150 ASN A O 1 ATOM 1145 C CB . ASN A 1 150 ? -10.946 -35.285 -66.749 1.00 20.40 ? 150 ASN A CB 1 ATOM 1146 C CG . ASN A 1 150 ? -11.044 -34.016 -65.945 1.00 36.23 ? 150 ASN A CG 1 ATOM 1147 O OD1 . ASN A 1 150 ? -10.029 -33.450 -65.530 1.00 29.58 ? 150 ASN A OD1 1 ATOM 1148 N ND2 . ASN A 1 150 ? -12.270 -33.556 -65.713 1.00 40.25 ? 150 ASN A ND2 1 ATOM 1149 N N . TYR A 1 151 ? -9.435 -38.089 -66.201 1.00 20.37 ? 151 TYR A N 1 ATOM 1150 C CA . TYR A 1 151 ? -9.557 -39.529 -66.374 1.00 26.76 ? 151 TYR A CA 1 ATOM 1151 C C . TYR A 1 151 ? -10.319 -40.114 -65.184 1.00 38.08 ? 151 TYR A C 1 ATOM 1152 O O . TYR A 1 151 ? -10.250 -39.587 -64.078 1.00 46.97 ? 151 TYR A O 1 ATOM 1153 C CB . TYR A 1 151 ? -8.184 -40.194 -66.558 1.00 22.89 ? 151 TYR A CB 1 ATOM 1154 C CG . TYR A 1 151 ? -7.243 -40.094 -65.378 1.00 30.05 ? 151 TYR A CG 1 ATOM 1155 C CD1 . TYR A 1 151 ? -6.386 -39.004 -65.237 1.00 33.22 ? 151 TYR A CD1 1 ATOM 1156 C CD2 . TYR A 1 151 ? -7.188 -41.103 -64.415 1.00 29.47 ? 151 TYR A CD2 1 ATOM 1157 C CE1 . TYR A 1 151 ? -5.502 -38.919 -64.168 1.00 32.54 ? 151 TYR A CE1 1 ATOM 1158 C CE2 . TYR A 1 151 ? -6.309 -41.025 -63.337 1.00 28.39 ? 151 TYR A CE2 1 ATOM 1159 C CZ . TYR A 1 151 ? -5.474 -39.929 -63.217 1.00 29.81 ? 151 TYR A CZ 1 ATOM 1160 O OH . TYR A 1 151 ? -4.606 -39.840 -62.150 1.00 24.50 ? 151 TYR A OH 1 ATOM 1161 N N . ARG A 1 152 ? -11.067 -41.182 -65.425 1.00 35.12 ? 152 ARG A N 1 ATOM 1162 C CA . ARG A 1 152 ? -11.927 -41.749 -64.400 1.00 33.11 ? 152 ARG A CA 1 ATOM 1163 C C . ARG A 1 152 ? -11.137 -42.320 -63.230 1.00 34.58 ? 152 ARG A C 1 ATOM 1164 O O . ARG A 1 152 ? -10.108 -42.969 -63.402 1.00 38.16 ? 152 ARG A O 1 ATOM 1165 C CB . ARG A 1 152 ? -12.838 -42.811 -65.005 1.00 34.47 ? 152 ARG A CB 1 ATOM 1166 C CG . ARG A 1 152 ? -13.951 -42.235 -65.868 1.00 38.87 ? 152 ARG A CG 1 ATOM 1167 C CD . ARG A 1 152 ? -14.647 -43.331 -66.656 1.00 39.67 ? 152 ARG A CD 1 ATOM 1168 N NE . ARG A 1 152 ? -13.811 -43.813 -67.755 1.00 35.94 ? 152 ARG A NE 1 ATOM 1169 C CZ . ARG A 1 152 ? -14.072 -44.903 -68.459 1.00 26.44 ? 152 ARG A CZ 1 ATOM 1170 N NH1 . ARG A 1 152 ? -15.138 -45.622 -68.178 1.00 28.56 ? 152 ARG A NH1 1 ATOM 1171 N NH2 . ARG A 1 152 ? -13.268 -45.279 -69.433 1.00 27.22 ? 152 ARG A NH2 1 ATOM 1172 N N . VAL A 1 153 ? -11.628 -42.059 -62.028 1.00 38.21 ? 153 VAL A N 1 ATOM 1173 C CA . VAL A 1 153 ? -10.945 -42.485 -60.823 1.00 40.30 ? 153 VAL A CA 1 ATOM 1174 C C . VAL A 1 153 ? -11.911 -43.261 -59.946 1.00 35.49 ? 153 VAL A C 1 ATOM 1175 O O . VAL A 1 153 ? -13.128 -43.247 -60.172 1.00 33.62 ? 153 VAL A O 1 ATOM 1176 C CB . VAL A 1 153 ? -10.410 -41.290 -60.050 1.00 17.80 ? 153 VAL A CB 1 ATOM 1177 C CG1 . VAL A 1 153 ? -9.109 -40.836 -60.635 1.00 17.25 ? 153 VAL A CG1 1 ATOM 1178 C CG2 . VAL A 1 153 ? -11.427 -40.179 -60.069 1.00 18.51 ? 153 VAL A CG2 1 ATOM 1179 N N . GLY A 1 154 ? -11.364 -43.948 -58.951 1.00 26.41 ? 154 GLY A N 1 ATOM 1180 C CA . GLY A 1 154 ? -12.183 -44.735 -58.058 1.00 30.01 ? 154 GLY A CA 1 ATOM 1181 C C . GLY A 1 154 ? -12.715 -45.948 -58.775 1.00 27.32 ? 154 GLY A C 1 ATOM 1182 O O . GLY A 1 154 ? -12.063 -46.470 -59.679 1.00 28.40 ? 154 GLY A O 1 ATOM 1183 N N . ALA A 1 155 ? -13.898 -46.400 -58.371 1.00 23.24 ? 155 ALA A N 1 ATOM 1184 C CA . ALA A 1 155 ? -14.500 -47.568 -58.993 1.00 27.76 ? 155 ALA A CA 1 ATOM 1185 C C . ALA A 1 155 ? -14.781 -47.290 -60.477 1.00 27.62 ? 155 ALA A C 1 ATOM 1186 O O . ALA A 1 155 ? -14.629 -48.164 -61.331 1.00 29.92 ? 155 ALA A O 1 ATOM 1187 C CB . ALA A 1 155 ? -15.770 -47.951 -58.267 1.00 21.41 ? 155 ALA A CB 1 ATOM 1188 N N . PHE A 1 156 ? -15.169 -46.055 -60.776 1.00 21.62 ? 156 PHE A N 1 ATOM 1189 C CA . PHE A 1 156 ? -15.574 -45.683 -62.116 1.00 23.84 ? 156 PHE A CA 1 ATOM 1190 C C . PHE A 1 156 ? -14.425 -45.851 -63.094 1.00 30.62 ? 156 PHE A C 1 ATOM 1191 O O . PHE A 1 156 ? -14.640 -45.991 -64.304 1.00 35.43 ? 156 PHE A O 1 ATOM 1192 C CB . PHE A 1 156 ? -16.070 -44.236 -62.135 1.00 25.17 ? 156 PHE A CB 1 ATOM 1193 C CG . PHE A 1 156 ? -17.162 -43.966 -61.159 1.00 30.98 ? 156 PHE A CG 1 ATOM 1194 C CD1 . PHE A 1 156 ? -18.473 -44.310 -61.457 1.00 40.60 ? 156 PHE A CD1 1 ATOM 1195 C CD2 . PHE A 1 156 ? -16.883 -43.376 -59.934 1.00 33.94 ? 156 PHE A CD2 1 ATOM 1196 C CE1 . PHE A 1 156 ? -19.500 -44.066 -60.542 1.00 44.35 ? 156 PHE A CE1 1 ATOM 1197 C CE2 . PHE A 1 156 ? -17.891 -43.130 -59.021 1.00 37.53 ? 156 PHE A CE2 1 ATOM 1198 C CZ . PHE A 1 156 ? -19.204 -43.477 -59.324 1.00 43.97 ? 156 PHE A CZ 1 ATOM 1199 N N . GLY A 1 157 ? -13.206 -45.838 -62.570 1.00 29.53 ? 157 GLY A N 1 ATOM 1200 C CA . GLY A 1 157 ? -12.036 -45.939 -63.416 1.00 29.35 ? 157 GLY A CA 1 ATOM 1201 C C . GLY A 1 157 ? -11.262 -47.231 -63.253 1.00 33.24 ? 157 GLY A C 1 ATOM 1202 O O . GLY A 1 157 ? -10.598 -47.676 -64.196 1.00 35.22 ? 157 GLY A O 1 ATOM 1203 N N . PHE A 1 158 ? -11.329 -47.837 -62.067 1.00 30.45 ? 158 PHE A N 1 ATOM 1204 C CA . PHE A 1 158 ? -10.419 -48.937 -61.771 1.00 18.01 ? 158 PHE A CA 1 ATOM 1205 C C . PHE A 1 158 ? -11.022 -50.226 -61.205 1.00 26.62 ? 158 PHE A C 1 ATOM 1206 O O . PHE A 1 158 ? -10.328 -51.241 -61.068 1.00 18.63 ? 158 PHE A O 1 ATOM 1207 C CB . PHE A 1 158 ? -9.233 -48.412 -60.977 1.00 17.35 ? 158 PHE A CB 1 ATOM 1208 C CG . PHE A 1 158 ? -8.390 -47.469 -61.770 1.00 16.80 ? 158 PHE A CG 1 ATOM 1209 C CD1 . PHE A 1 158 ? -7.366 -47.943 -62.571 1.00 19.29 ? 158 PHE A CD1 1 ATOM 1210 C CD2 . PHE A 1 158 ? -8.657 -46.107 -61.775 1.00 26.82 ? 158 PHE A CD2 1 ATOM 1211 C CE1 . PHE A 1 158 ? -6.608 -47.068 -63.331 1.00 29.42 ? 158 PHE A CE1 1 ATOM 1212 C CE2 . PHE A 1 158 ? -7.896 -45.227 -62.539 1.00 16.42 ? 158 PHE A CE2 1 ATOM 1213 C CZ . PHE A 1 158 ? -6.875 -45.707 -63.308 1.00 16.11 ? 158 PHE A CZ 1 ATOM 1214 N N . LEU A 1 159 ? -12.322 -50.194 -60.926 1.00 24.53 ? 159 LEU A N 1 ATOM 1215 C CA . LEU A 1 159 ? -13.024 -51.398 -60.506 1.00 25.35 ? 159 LEU A CA 1 ATOM 1216 C C . LEU A 1 159 ? -12.815 -52.408 -61.579 1.00 28.80 ? 159 LEU A C 1 ATOM 1217 O O . LEU A 1 159 ? -13.251 -52.196 -62.700 1.00 34.93 ? 159 LEU A O 1 ATOM 1218 C CB . LEU A 1 159 ? -14.533 -51.177 -60.361 1.00 25.34 ? 159 LEU A CB 1 ATOM 1219 C CG . LEU A 1 159 ? -15.337 -52.406 -59.894 1.00 23.44 ? 159 LEU A CG 1 ATOM 1220 C CD1 . LEU A 1 159 ? -16.607 -51.981 -59.204 1.00 23.13 ? 159 LEU A CD1 1 ATOM 1221 C CD2 . LEU A 1 159 ? -15.685 -53.381 -61.012 1.00 22.87 ? 159 LEU A CD2 1 ATOM 1222 N N . ALA A 1 160 ? -12.185 -53.521 -61.227 1.00 37.64 ? 160 ALA A N 1 ATOM 1223 C CA . ALA A 1 160 ? -11.975 -54.606 -62.176 1.00 41.08 ? 160 ALA A CA 1 ATOM 1224 C C . ALA A 1 160 ? -12.669 -55.891 -61.755 1.00 47.06 ? 160 ALA A C 1 ATOM 1225 O O . ALA A 1 160 ? -12.783 -56.191 -60.571 1.00 60.24 ? 160 ALA A O 1 ATOM 1226 C CB . ALA A 1 160 ? -10.503 -54.861 -62.356 1.00 36.89 ? 160 ALA A CB 1 ATOM 1227 N N . LEU A 1 161 ? -13.134 -56.638 -62.747 1.00 42.66 ? 161 LEU A N 1 ATOM 1228 C CA . LEU A 1 161 ? -13.565 -58.016 -62.572 1.00 42.57 ? 161 LEU A CA 1 ATOM 1229 C C . LEU A 1 161 ? -12.783 -58.788 -63.613 1.00 46.38 ? 161 LEU A C 1 ATOM 1230 O O . LEU A 1 161 ? -13.359 -59.201 -64.617 1.00 47.53 ? 161 LEU A O 1 ATOM 1231 C CB . LEU A 1 161 ? -15.051 -58.144 -62.888 1.00 40.40 ? 161 LEU A CB 1 ATOM 1232 C CG . LEU A 1 161 ? -16.055 -58.507 -61.800 1.00 38.73 ? 161 LEU A CG 1 ATOM 1233 C CD1 . LEU A 1 161 ? -15.539 -58.117 -60.437 1.00 33.46 ? 161 LEU A CD1 1 ATOM 1234 C CD2 . LEU A 1 161 ? -17.352 -57.801 -62.085 1.00 26.71 ? 161 LEU A CD2 1 ATOM 1235 N N . PRO A 1 162 ? -11.465 -58.962 -63.386 1.00 45.46 ? 162 PRO A N 1 ATOM 1236 C CA . PRO A 1 162 ? -10.480 -59.355 -64.396 1.00 38.10 ? 162 PRO A CA 1 ATOM 1237 C C . PRO A 1 162 ? -10.957 -60.442 -65.333 1.00 50.65 ? 162 PRO A C 1 ATOM 1238 O O . PRO A 1 162 ? -11.300 -61.538 -64.883 1.00 57.31 ? 162 PRO A O 1 ATOM 1239 C CB . PRO A 1 162 ? -9.315 -59.854 -63.553 1.00 34.37 ? 162 PRO A CB 1 ATOM 1240 C CG . PRO A 1 162 ? -9.344 -58.970 -62.397 1.00 43.34 ? 162 PRO A CG 1 ATOM 1241 C CD . PRO A 1 162 ? -10.819 -58.789 -62.075 1.00 48.86 ? 162 PRO A CD 1 ATOM 1242 N N . GLY A 1 163 ? -10.995 -60.114 -66.622 1.00 52.86 ? 163 GLY A N 1 ATOM 1243 C CA . GLY A 1 163 ? -11.370 -61.068 -67.644 1.00 50.17 ? 163 GLY A CA 1 ATOM 1244 C C . GLY A 1 163 ? -12.810 -60.973 -68.110 1.00 50.00 ? 163 GLY A C 1 ATOM 1245 O O . GLY A 1 163 ? -13.236 -61.779 -68.932 1.00 60.00 ? 163 GLY A O 1 ATOM 1246 N N . SER A 1 164 ? -13.567 -60.012 -67.586 1.00 42.19 ? 164 SER A N 1 ATOM 1247 C CA . SER A 1 164 ? -14.933 -59.791 -68.054 1.00 43.39 ? 164 SER A CA 1 ATOM 1248 C C . SER A 1 164 ? -14.885 -58.710 -69.118 1.00 45.45 ? 164 SER A C 1 ATOM 1249 O O . SER A 1 164 ? -13.981 -57.868 -69.110 1.00 42.92 ? 164 SER A O 1 ATOM 1250 C CB . SER A 1 164 ? -15.846 -59.343 -66.915 1.00 44.11 ? 164 SER A CB 1 ATOM 1251 O OG . SER A 1 164 ? -15.612 -57.981 -66.572 1.00 36.76 ? 164 SER A OG 1 ATOM 1252 N N . ARG A 1 165 ? -15.842 -58.721 -70.040 1.00 45.27 ? 165 ARG A N 1 ATOM 1253 C CA . ARG A 1 165 ? -15.846 -57.688 -71.064 1.00 46.88 ? 165 ARG A CA 1 ATOM 1254 C C . ARG A 1 165 ? -16.535 -56.449 -70.515 1.00 45.00 ? 165 ARG A C 1 ATOM 1255 O O . ARG A 1 165 ? -16.360 -55.358 -71.054 1.00 49.97 ? 165 ARG A O 1 ATOM 1256 C CB . ARG A 1 165 ? -16.485 -58.167 -72.388 1.00 60.92 ? 165 ARG A CB 1 ATOM 1257 C CG . ARG A 1 165 ? -17.993 -57.916 -72.514 1.00 75.82 ? 165 ARG A CG 1 ATOM 1258 C CD . ARG A 1 165 ? -18.446 -57.740 -73.968 1.00 84.18 ? 165 ARG A CD 1 ATOM 1259 N NE . ARG A 1 165 ? -19.020 -58.956 -74.552 1.00 89.66 ? 165 ARG A NE 1 ATOM 1260 C CZ . ARG A 1 165 ? -20.234 -59.033 -75.100 1.00 83.53 ? 165 ARG A CZ 1 ATOM 1261 N NH1 . ARG A 1 165 ? -21.024 -57.962 -75.147 1.00 78.37 ? 165 ARG A NH1 1 ATOM 1262 N NH2 . ARG A 1 165 ? -20.658 -60.187 -75.605 1.00 76.20 ? 165 ARG A NH2 1 ATOM 1263 N N . GLU A 1 166 ? -17.296 -56.619 -69.429 1.00 46.31 ? 166 GLU A N 1 ATOM 1264 C CA . GLU A 1 166 ? -18.158 -55.548 -68.908 1.00 47.54 ? 166 GLU A CA 1 ATOM 1265 C C . GLU A 1 166 ? -17.473 -54.681 -67.848 1.00 48.28 ? 166 GLU A C 1 ATOM 1266 O O . GLU A 1 166 ? -17.895 -53.554 -67.593 1.00 56.13 ? 166 GLU A O 1 ATOM 1267 C CB . GLU A 1 166 ? -19.510 -56.095 -68.406 1.00 50.18 ? 166 GLU A CB 1 ATOM 1268 C CG . GLU A 1 166 ? -20.468 -56.594 -69.515 1.00 65.00 ? 166 GLU A CG 1 ATOM 1269 C CD . GLU A 1 166 ? -20.877 -55.502 -70.527 1.00 88.06 ? 166 GLU A CD 1 ATOM 1270 O OE1 . GLU A 1 166 ? -21.608 -54.562 -70.139 1.00 99.79 ? 166 GLU A OE1 1 ATOM 1271 O OE2 . GLU A 1 166 ? -20.482 -55.586 -71.719 1.00 89.45 ? 166 GLU A OE2 1 ATOM 1272 N N . ALA A 1 167 ? -16.414 -55.211 -67.242 1.00 38.53 ? 167 ALA A N 1 ATOM 1273 C CA . ALA A 1 167 ? -15.563 -54.437 -66.343 1.00 31.26 ? 167 ALA A CA 1 ATOM 1274 C C . ALA A 1 167 ? -14.169 -55.057 -66.320 1.00 34.17 ? 167 ALA A C 1 ATOM 1275 O O . ALA A 1 167 ? -13.862 -55.891 -65.470 1.00 29.08 ? 167 ALA A O 1 ATOM 1276 C CB . ALA A 1 167 ? -16.159 -54.388 -64.944 1.00 28.40 ? 167 ALA A CB 1 ATOM 1277 N N . PRO A 1 168 ? -13.321 -54.661 -67.282 1.00 41.27 ? 168 PRO A N 1 ATOM 1278 C CA . PRO A 1 168 ? -12.008 -55.272 -67.517 1.00 37.10 ? 168 PRO A CA 1 ATOM 1279 C C . PRO A 1 168 ? -10.902 -54.629 -66.701 1.00 39.71 ? 168 PRO A C 1 ATOM 1280 O O . PRO A 1 168 ? -9.759 -55.097 -66.765 1.00 42.16 ? 168 PRO A O 1 ATOM 1281 C CB . PRO A 1 168 ? -11.753 -54.983 -69.000 1.00 38.22 ? 168 PRO A CB 1 ATOM 1282 C CG . PRO A 1 168 ? -12.787 -53.979 -69.426 1.00 22.18 ? 168 PRO A CG 1 ATOM 1283 C CD . PRO A 1 168 ? -13.592 -53.580 -68.241 1.00 43.37 ? 168 PRO A CD 1 ATOM 1284 N N . GLY A 1 169 ? -11.241 -53.567 -65.970 1.00 39.54 ? 169 GLY A N 1 ATOM 1285 C CA . GLY A 1 169 ? -10.267 -52.803 -65.213 1.00 42.64 ? 169 GLY A CA 1 ATOM 1286 C C . GLY A 1 169 ? -9.397 -51.916 -66.081 1.00 39.59 ? 169 GLY A C 1 ATOM 1287 O O . GLY A 1 169 ? -9.372 -52.079 -67.298 1.00 41.92 ? 169 GLY A O 1 ATOM 1288 N N . ASN A 1 170 ? -8.695 -50.976 -65.450 1.00 35.51 ? 170 ASN A N 1 ATOM 1289 C CA . ASN A 1 170 ? -7.705 -50.135 -66.124 1.00 27.67 ? 170 ASN A CA 1 ATOM 1290 C C . ASN A 1 170 ? -8.254 -49.084 -67.085 1.00 32.87 ? 170 ASN A C 1 ATOM 1291 O O . ASN A 1 170 ? -7.478 -48.395 -67.755 1.00 32.27 ? 170 ASN A O 1 ATOM 1292 C CB . ASN A 1 170 ? -6.681 -50.991 -66.860 1.00 19.99 ? 170 ASN A CB 1 ATOM 1293 C CG . ASN A 1 170 ? -5.686 -51.610 -65.933 1.00 24.01 ? 170 ASN A CG 1 ATOM 1294 O OD1 . ASN A 1 170 ? -5.185 -50.953 -65.034 1.00 24.35 ? 170 ASN A OD1 1 ATOM 1295 N ND2 . ASN A 1 170 ? -5.380 -52.879 -66.149 1.00 28.10 ? 170 ASN A ND2 1 ATOM 1296 N N . VAL A 1 171 ? -9.577 -48.953 -67.149 1.00 29.24 ? 171 VAL A N 1 ATOM 1297 C CA . VAL A 1 171 ? -10.194 -48.001 -68.064 1.00 25.38 ? 171 VAL A CA 1 ATOM 1298 C C . VAL A 1 171 ? -9.750 -46.559 -67.770 1.00 28.28 ? 171 VAL A C 1 ATOM 1299 O O . VAL A 1 171 ? -9.763 -45.704 -68.659 1.00 30.94 ? 171 VAL A O 1 ATOM 1300 C CB . VAL A 1 171 ? -11.732 -48.129 -68.073 1.00 28.05 ? 171 VAL A CB 1 ATOM 1301 C CG1 . VAL A 1 171 ? -12.129 -49.589 -68.155 1.00 29.72 ? 171 VAL A CG1 1 ATOM 1302 C CG2 . VAL A 1 171 ? -12.336 -47.498 -66.839 1.00 19.24 ? 171 VAL A CG2 1 ATOM 1303 N N . GLY A 1 172 ? -9.332 -46.295 -66.534 1.00 26.08 ? 172 GLY A N 1 ATOM 1304 C CA . GLY A 1 172 ? -8.825 -44.981 -66.189 1.00 25.09 ? 172 GLY A CA 1 ATOM 1305 C C . GLY A 1 172 ? -7.563 -44.664 -66.975 1.00 27.79 ? 172 GLY A C 1 ATOM 1306 O O . GLY A 1 172 ? -7.326 -43.520 -67.385 1.00 24.40 ? 172 GLY A O 1 ATOM 1307 N N . LEU A 1 173 ? -6.742 -45.689 -67.180 1.00 23.89 ? 173 LEU A N 1 ATOM 1308 C CA . LEU A 1 173 ? -5.533 -45.543 -67.965 1.00 29.33 ? 173 LEU A CA 1 ATOM 1309 C C . LEU A 1 173 ? -5.861 -45.492 -69.466 1.00 39.44 ? 173 LEU A C 1 ATOM 1310 O O . LEU A 1 173 ? -5.117 -44.911 -70.268 1.00 46.81 ? 173 LEU A O 1 ATOM 1311 C CB . LEU A 1 173 ? -4.588 -46.696 -67.667 1.00 16.19 ? 173 LEU A CB 1 ATOM 1312 C CG . LEU A 1 173 ? -3.887 -46.648 -66.325 1.00 15.75 ? 173 LEU A CG 1 ATOM 1313 C CD1 . LEU A 1 173 ? -3.220 -47.978 -66.094 1.00 15.74 ? 173 LEU A CD1 1 ATOM 1314 C CD2 . LEU A 1 173 ? -2.875 -45.524 -66.316 1.00 15.50 ? 173 LEU A CD2 1 ATOM 1315 N N . LEU A 1 174 ? -6.982 -46.104 -69.837 1.00 30.51 ? 174 LEU A N 1 ATOM 1316 C CA . LEU A 1 174 ? -7.445 -46.060 -71.207 1.00 18.08 ? 174 LEU A CA 1 ATOM 1317 C C . LEU A 1 174 ? -7.892 -44.654 -71.563 1.00 36.40 ? 174 LEU A C 1 ATOM 1318 O O . LEU A 1 174 ? -7.712 -44.200 -72.700 1.00 35.02 ? 174 LEU A O 1 ATOM 1319 C CB . LEU A 1 174 ? -8.589 -47.041 -71.405 1.00 18.68 ? 174 LEU A CB 1 ATOM 1320 C CG . LEU A 1 174 ? -8.113 -48.472 -71.253 1.00 22.84 ? 174 LEU A CG 1 ATOM 1321 C CD1 . LEU A 1 174 ? -9.223 -49.415 -71.618 1.00 19.44 ? 174 LEU A CD1 1 ATOM 1322 C CD2 . LEU A 1 174 ? -6.867 -48.708 -72.101 1.00 18.58 ? 174 LEU A CD2 1 ATOM 1323 N N . ASP A 1 175 ? -8.485 -43.976 -70.583 1.00 28.94 ? 175 ASP A N 1 ATOM 1324 C CA . ASP A 1 175 ? -8.882 -42.587 -70.748 1.00 28.02 ? 175 ASP A CA 1 ATOM 1325 C C . ASP A 1 175 ? -7.649 -41.768 -71.093 1.00 33.51 ? 175 ASP A C 1 ATOM 1326 O O . ASP A 1 175 ? -7.657 -40.969 -72.028 1.00 39.41 ? 175 ASP A O 1 ATOM 1327 C CB . ASP A 1 175 ? -9.505 -42.040 -69.463 1.00 33.88 ? 175 ASP A CB 1 ATOM 1328 C CG . ASP A 1 175 ? -10.836 -42.690 -69.124 1.00 40.11 ? 175 ASP A CG 1 ATOM 1329 O OD1 . ASP A 1 175 ? -11.362 -43.459 -69.949 1.00 35.23 ? 175 ASP A OD1 1 ATOM 1330 O OD2 . ASP A 1 175 ? -11.372 -42.413 -68.029 1.00 48.43 ? 175 ASP A OD2 1 ATOM 1331 N N . GLN A 1 176 ? -6.588 -41.976 -70.324 1.00 38.60 ? 176 GLN A N 1 ATOM 1332 C CA . GLN A 1 176 ? -5.341 -41.267 -70.538 1.00 43.89 ? 176 GLN A CA 1 ATOM 1333 C C . GLN A 1 176 ? -4.789 -41.547 -71.933 1.00 41.00 ? 176 GLN A C 1 ATOM 1334 O O . GLN A 1 176 ? -4.291 -40.641 -72.603 1.00 36.98 ? 176 GLN A O 1 ATOM 1335 C CB . GLN A 1 176 ? -4.316 -41.698 -69.497 1.00 47.70 ? 176 GLN A CB 1 ATOM 1336 C CG . GLN A 1 176 ? -4.773 -41.559 -68.074 1.00 45.52 ? 176 GLN A CG 1 ATOM 1337 C CD . GLN A 1 176 ? -3.701 -42.012 -67.117 1.00 44.39 ? 176 GLN A CD 1 ATOM 1338 O OE1 . GLN A 1 176 ? -2.669 -42.541 -67.537 1.00 38.86 ? 176 GLN A OE1 1 ATOM 1339 N NE2 . GLN A 1 176 ? -3.930 -41.805 -65.824 1.00 43.33 ? 176 GLN A NE2 1 ATOM 1340 N N . ARG A 1 177 ? -4.870 -42.804 -72.363 1.00 40.01 ? 177 ARG A N 1 ATOM 1341 C CA . ARG A 1 177 ? -4.405 -43.176 -73.696 1.00 39.86 ? 177 ARG A CA 1 ATOM 1342 C C . ARG A 1 177 ? -5.204 -42.443 -74.765 1.00 38.55 ? 177 ARG A C 1 ATOM 1343 O O . ARG A 1 177 ? -4.635 -41.700 -75.553 1.00 37.99 ? 177 ARG A O 1 ATOM 1344 C CB . ARG A 1 177 ? -4.509 -44.679 -73.909 1.00 18.42 ? 177 ARG A CB 1 ATOM 1345 C CG . ARG A 1 177 ? -3.487 -45.228 -74.857 1.00 18.70 ? 177 ARG A CG 1 ATOM 1346 C CD . ARG A 1 177 ? -3.684 -46.710 -75.052 1.00 18.90 ? 177 ARG A CD 1 ATOM 1347 N NE . ARG A 1 177 ? -2.753 -47.496 -74.266 1.00 18.41 ? 177 ARG A NE 1 ATOM 1348 C CZ . ARG A 1 177 ? -2.806 -48.819 -74.172 1.00 44.92 ? 177 ARG A CZ 1 ATOM 1349 N NH1 . ARG A 1 177 ? -3.747 -49.487 -74.825 1.00 40.27 ? 177 ARG A NH1 1 ATOM 1350 N NH2 . ARG A 1 177 ? -1.921 -49.477 -73.431 1.00 48.24 ? 177 ARG A NH2 1 ATOM 1351 N N . LEU A 1 178 ? -6.520 -42.642 -74.767 1.00 19.51 ? 178 LEU A N 1 ATOM 1352 C CA . LEU A 1 178 ? -7.417 -41.971 -75.708 1.00 24.75 ? 178 LEU A CA 1 ATOM 1353 C C . LEU A 1 178 ? -7.109 -40.485 -75.893 1.00 23.10 ? 178 LEU A C 1 ATOM 1354 O O . LEU A 1 178 ? -7.198 -39.957 -77.000 1.00 30.04 ? 178 LEU A O 1 ATOM 1355 C CB . LEU A 1 178 ? -8.883 -42.148 -75.298 1.00 20.68 ? 178 LEU A CB 1 ATOM 1356 C CG . LEU A 1 178 ? -9.888 -41.603 -76.315 1.00 22.03 ? 178 LEU A CG 1 ATOM 1357 C CD1 . LEU A 1 178 ? -9.570 -42.194 -77.677 1.00 22.64 ? 178 LEU A CD1 1 ATOM 1358 C CD2 . LEU A 1 178 ? -11.324 -41.904 -75.930 1.00 22.16 ? 178 LEU A CD2 1 ATOM 1359 N N . ALA A 1 179 ? -6.744 -39.810 -74.811 1.00 23.58 ? 179 ALA A N 1 ATOM 1360 C CA . ALA A 1 179 ? -6.396 -38.400 -74.901 1.00 23.34 ? 179 ALA A CA 1 ATOM 1361 C C . ALA A 1 179 ? -5.082 -38.229 -75.658 1.00 26.60 ? 179 ALA A C 1 ATOM 1362 O O . ALA A 1 179 ? -4.932 -37.308 -76.461 1.00 21.45 ? 179 ALA A O 1 ATOM 1363 C CB . ALA A 1 179 ? -6.306 -37.793 -73.531 1.00 19.99 ? 179 ALA A CB 1 ATOM 1364 N N . LEU A 1 180 ? -4.134 -39.124 -75.407 1.00 20.04 ? 180 LEU A N 1 ATOM 1365 C CA . LEU A 1 180 ? -2.871 -39.086 -76.126 1.00 25.16 ? 180 LEU A CA 1 ATOM 1366 C C . LEU A 1 180 ? -3.066 -39.355 -77.630 1.00 33.69 ? 180 LEU A C 1 ATOM 1367 O O . LEU A 1 180 ? -2.399 -38.740 -78.463 1.00 33.54 ? 180 LEU A O 1 ATOM 1368 C CB . LEU A 1 180 ? -1.873 -40.063 -75.503 1.00 22.36 ? 180 LEU A CB 1 ATOM 1369 C CG . LEU A 1 180 ? -1.389 -39.662 -74.110 1.00 23.23 ? 180 LEU A CG 1 ATOM 1370 C CD1 . LEU A 1 180 ? -0.410 -40.667 -73.575 1.00 18.28 ? 180 LEU A CD1 1 ATOM 1371 C CD2 . LEU A 1 180 ? -0.737 -38.302 -74.149 1.00 24.56 ? 180 LEU A CD2 1 ATOM 1372 N N . GLN A 1 181 ? -3.981 -40.261 -77.973 1.00 39.99 ? 181 GLN A N 1 ATOM 1373 C CA . GLN A 1 181 ? -4.321 -40.499 -79.372 1.00 50.46 ? 181 GLN A CA 1 ATOM 1374 C C . GLN A 1 181 ? -4.906 -39.221 -79.967 1.00 46.61 ? 181 GLN A C 1 ATOM 1375 O O . GLN A 1 181 ? -4.528 -38.819 -81.060 1.00 54.26 ? 181 GLN A O 1 ATOM 1376 C CB . GLN A 1 181 ? -5.308 -41.661 -79.530 1.00 63.31 ? 181 GLN A CB 1 ATOM 1377 C CG . GLN A 1 181 ? -4.844 -42.995 -78.950 1.00 71.35 ? 181 GLN A CG 1 ATOM 1378 C CD . GLN A 1 181 ? -5.806 -44.129 -79.280 1.00 80.76 ? 181 GLN A CD 1 ATOM 1379 O OE1 . GLN A 1 181 ? -6.181 -44.318 -80.447 1.00 97.18 ? 181 GLN A OE1 1 ATOM 1380 N NE2 . GLN A 1 181 ? -6.219 -44.885 -78.256 1.00 64.48 ? 181 GLN A NE2 1 ATOM 1381 N N . TRP A 1 182 ? -5.820 -38.593 -79.232 1.00 31.27 ? 182 TRP A N 1 ATOM 1382 C CA . TRP A 1 182 ? -6.359 -37.281 -79.581 1.00 33.04 ? 182 TRP A CA 1 ATOM 1383 C C . TRP A 1 182 ? -5.224 -36.292 -79.801 1.00 42.59 ? 182 TRP A C 1 ATOM 1384 O O . TRP A 1 182 ? -5.302 -35.411 -80.649 1.00 49.74 ? 182 TRP A O 1 ATOM 1385 C CB . TRP A 1 182 ? -7.252 -36.769 -78.441 1.00 34.00 ? 182 TRP A CB 1 ATOM 1386 C CG . TRP A 1 182 ? -8.079 -35.531 -78.743 1.00 31.21 ? 182 TRP A CG 1 ATOM 1387 C CD1 . TRP A 1 182 ? -9.409 -35.496 -79.052 1.00 33.31 ? 182 TRP A CD1 1 ATOM 1388 C CD2 . TRP A 1 182 ? -7.636 -34.165 -78.735 1.00 29.60 ? 182 TRP A CD2 1 ATOM 1389 N NE1 . TRP A 1 182 ? -9.819 -34.199 -79.244 1.00 32.94 ? 182 TRP A NE1 1 ATOM 1390 C CE2 . TRP A 1 182 ? -8.751 -33.363 -79.061 1.00 32.12 ? 182 TRP A CE2 1 ATOM 1391 C CE3 . TRP A 1 182 ? -6.410 -33.542 -78.479 1.00 24.95 ? 182 TRP A CE3 1 ATOM 1392 C CZ2 . TRP A 1 182 ? -8.677 -31.972 -79.144 1.00 27.07 ? 182 TRP A CZ2 1 ATOM 1393 C CZ3 . TRP A 1 182 ? -6.338 -32.160 -78.562 1.00 34.79 ? 182 TRP A CZ3 1 ATOM 1394 C CH2 . TRP A 1 182 ? -7.466 -31.390 -78.897 1.00 36.84 ? 182 TRP A CH2 1 ATOM 1395 N N . VAL A 1 183 ? -4.163 -36.433 -79.021 1.00 43.11 ? 183 VAL A N 1 ATOM 1396 C CA . VAL A 1 183 ? -3.060 -35.482 -79.097 1.00 42.63 ? 183 VAL A CA 1 ATOM 1397 C C . VAL A 1 183 ? -2.302 -35.642 -80.413 1.00 39.97 ? 183 VAL A C 1 ATOM 1398 O O . VAL A 1 183 ? -1.949 -34.651 -81.037 1.00 25.52 ? 183 VAL A O 1 ATOM 1399 C CB . VAL A 1 183 ? -2.155 -35.522 -77.815 1.00 44.82 ? 183 VAL A CB 1 ATOM 1400 C CG1 . VAL A 1 183 ? -0.851 -34.748 -78.003 1.00 23.18 ? 183 VAL A CG1 1 ATOM 1401 C CG2 . VAL A 1 183 ? -2.914 -34.955 -76.660 1.00 22.33 ? 183 VAL A CG2 1 ATOM 1402 N N . GLN A 1 184 ? -2.097 -36.884 -80.846 1.00 35.01 ? 184 GLN A N 1 ATOM 1403 C CA . GLN A 1 184 ? -1.445 -37.145 -82.133 1.00 32.21 ? 184 GLN A CA 1 ATOM 1404 C C . GLN A 1 184 ? -2.232 -36.546 -83.310 1.00 36.23 ? 184 GLN A C 1 ATOM 1405 O O . GLN A 1 184 ? -1.653 -35.924 -84.190 1.00 38.75 ? 184 GLN A O 1 ATOM 1406 C CB . GLN A 1 184 ? -1.225 -38.644 -82.350 1.00 31.27 ? 184 GLN A CB 1 ATOM 1407 C CG . GLN A 1 184 ? -0.104 -39.226 -81.526 1.00 31.47 ? 184 GLN A CG 1 ATOM 1408 C CD . GLN A 1 184 ? 1.199 -38.467 -81.694 1.00 38.20 ? 184 GLN A CD 1 ATOM 1409 O OE1 . GLN A 1 184 ? 1.785 -38.433 -82.783 1.00 46.12 ? 184 GLN A OE1 1 ATOM 1410 N NE2 . GLN A 1 184 ? 1.660 -37.847 -80.614 1.00 34.36 ? 184 GLN A NE2 1 ATOM 1411 N N . GLU A 1 185 ? -3.550 -36.736 -83.306 1.00 36.10 ? 185 GLU A N 1 ATOM 1412 C CA . GLU A 1 185 ? -4.433 -36.143 -84.290 1.00 27.87 ? 185 GLU A CA 1 ATOM 1413 C C . GLU A 1 185 ? -4.480 -34.615 -84.212 1.00 56.11 ? 185 GLU A C 1 ATOM 1414 O O . GLU A 1 185 ? -4.114 -33.911 -85.155 1.00 57.24 ? 185 GLU A O 1 ATOM 1415 C CB . GLU A 1 185 ? -5.846 -36.702 -84.143 1.00 52.77 ? 185 GLU A CB 1 ATOM 1416 C CG . GLU A 1 185 ? -5.988 -38.140 -84.594 1.00 68.55 ? 185 GLU A CG 1 ATOM 1417 C CD . GLU A 1 185 ? -7.436 -38.610 -84.633 1.00 85.74 ? 185 GLU A CD 1 ATOM 1418 O OE1 . GLU A 1 185 ? -8.306 -37.937 -84.030 1.00 83.55 ? 185 GLU A OE1 1 ATOM 1419 O OE2 . GLU A 1 185 ? -7.702 -39.656 -85.274 1.00 96.39 ? 185 GLU A OE2 1 ATOM 1420 N N . ASN A 1 186 ? -4.933 -34.091 -83.087 1.00 49.76 ? 186 ASN A N 1 ATOM 1421 C CA . ASN A 1 186 ? -5.330 -32.701 -83.064 1.00 28.82 ? 186 ASN A CA 1 ATOM 1422 C C . ASN A 1 186 ? -4.358 -31.673 -82.486 1.00 34.08 ? 186 ASN A C 1 ATOM 1423 O O . ASN A 1 186 ? -4.692 -30.494 -82.452 1.00 33.03 ? 186 ASN A O 1 ATOM 1424 C CB . ASN A 1 186 ? -6.692 -32.575 -82.390 1.00 28.63 ? 186 ASN A CB 1 ATOM 1425 C CG . ASN A 1 186 ? -7.741 -33.451 -83.038 1.00 54.52 ? 186 ASN A CG 1 ATOM 1426 O OD1 . ASN A 1 186 ? -8.418 -33.031 -83.970 1.00 56.14 ? 186 ASN A OD1 1 ATOM 1427 N ND2 . ASN A 1 186 ? -7.879 -34.677 -82.551 1.00 51.11 ? 186 ASN A ND2 1 ATOM 1428 N N . VAL A 1 187 ? -3.165 -32.074 -82.043 1.00 30.89 ? 187 VAL A N 1 ATOM 1429 C CA . VAL A 1 187 ? -2.308 -31.105 -81.333 1.00 32.59 ? 187 VAL A CA 1 ATOM 1430 C C . VAL A 1 187 ? -1.619 -30.109 -82.244 1.00 37.33 ? 187 VAL A C 1 ATOM 1431 O O . VAL A 1 187 ? -1.160 -29.064 -81.782 1.00 36.86 ? 187 VAL A O 1 ATOM 1432 C CB . VAL A 1 187 ? -1.248 -31.748 -80.411 1.00 36.34 ? 187 VAL A CB 1 ATOM 1433 C CG1 . VAL A 1 187 ? 0.015 -32.064 -81.190 1.00 27.20 ? 187 VAL A CG1 1 ATOM 1434 C CG2 . VAL A 1 187 ? -0.929 -30.813 -79.251 1.00 26.57 ? 187 VAL A CG2 1 ATOM 1435 N N . ALA A 1 188 ? -1.545 -30.433 -83.533 1.00 43.48 ? 188 ALA A N 1 ATOM 1436 C CA . ALA A 1 188 ? -0.923 -29.540 -84.511 1.00 38.45 ? 188 ALA A CA 1 ATOM 1437 C C . ALA A 1 188 ? -1.816 -28.339 -84.765 1.00 33.26 ? 188 ALA A C 1 ATOM 1438 O O . ALA A 1 188 ? -1.339 -27.282 -85.155 1.00 34.57 ? 188 ALA A O 1 ATOM 1439 C CB . ALA A 1 188 ? -0.646 -30.275 -85.795 1.00 37.11 ? 188 ALA A CB 1 ATOM 1440 N N . ALA A 1 189 ? -3.114 -28.510 -84.518 1.00 48.51 ? 189 ALA A N 1 ATOM 1441 C CA . ALA A 1 189 ? -4.088 -27.430 -84.651 1.00 34.13 ? 189 ALA A CA 1 ATOM 1442 C C . ALA A 1 189 ? -3.776 -26.278 -83.716 1.00 46.02 ? 189 ALA A C 1 ATOM 1443 O O . ALA A 1 189 ? -4.349 -25.201 -83.838 1.00 46.17 ? 189 ALA A O 1 ATOM 1444 C CB . ALA A 1 189 ? -5.488 -27.938 -84.374 1.00 33.64 ? 189 ALA A CB 1 ATOM 1445 N N . PHE A 1 190 ? -2.887 -26.513 -82.758 1.00 39.22 ? 190 PHE A N 1 ATOM 1446 C CA . PHE A 1 190 ? -2.593 -25.503 -81.761 1.00 37.10 ? 190 PHE A CA 1 ATOM 1447 C C . PHE A 1 190 ? -1.128 -25.079 -81.831 1.00 44.95 ? 190 PHE A C 1 ATOM 1448 O O . PHE A 1 190 ? -0.696 -24.218 -81.073 1.00 57.95 ? 190 PHE A O 1 ATOM 1449 C CB . PHE A 1 190 ? -2.962 -26.001 -80.359 1.00 40.61 ? 190 PHE A CB 1 ATOM 1450 C CG . PHE A 1 190 ? -4.395 -26.477 -80.224 1.00 31.23 ? 190 PHE A CG 1 ATOM 1451 C CD1 . PHE A 1 190 ? -4.728 -27.798 -80.452 1.00 33.92 ? 190 PHE A CD1 1 ATOM 1452 C CD2 . PHE A 1 190 ? -5.398 -25.610 -79.840 1.00 50.05 ? 190 PHE A CD2 1 ATOM 1453 C CE1 . PHE A 1 190 ? -6.037 -28.240 -80.314 1.00 30.01 ? 190 PHE A CE1 1 ATOM 1454 C CE2 . PHE A 1 190 ? -6.710 -26.047 -79.705 1.00 44.76 ? 190 PHE A CE2 1 ATOM 1455 C CZ . PHE A 1 190 ? -7.027 -27.362 -79.942 1.00 39.39 ? 190 PHE A CZ 1 ATOM 1456 N N . GLY A 1 191 ? -0.371 -25.667 -82.753 1.00 43.89 ? 191 GLY A N 1 ATOM 1457 C CA . GLY A 1 191 ? 1.032 -25.330 -82.904 1.00 34.47 ? 191 GLY A CA 1 ATOM 1458 C C . GLY A 1 191 ? 1.890 -26.397 -82.270 1.00 38.71 ? 191 GLY A C 1 ATOM 1459 O O . GLY A 1 191 ? 3.117 -26.300 -82.261 1.00 33.23 ? 191 GLY A O 1 ATOM 1460 N N . GLY A 1 192 ? 1.224 -27.415 -81.726 1.00 33.83 ? 192 GLY A N 1 ATOM 1461 C CA . GLY A 1 192 ? 1.886 -28.525 -81.071 1.00 29.98 ? 192 GLY A CA 1 ATOM 1462 C C . GLY A 1 192 ? 2.502 -29.467 -82.080 1.00 31.31 ? 192 GLY A C 1 ATOM 1463 O O . GLY A 1 192 ? 2.118 -29.495 -83.249 1.00 31.07 ? 192 GLY A O 1 ATOM 1464 N N . ASP A 1 193 ? 3.466 -30.246 -81.617 1.00 31.69 ? 193 ASP A N 1 ATOM 1465 C CA . ASP A 1 193 ? 4.262 -31.098 -82.481 1.00 29.52 ? 193 ASP A CA 1 ATOM 1466 C C . ASP A 1 193 ? 4.157 -32.518 -81.963 1.00 45.20 ? 193 ASP A C 1 ATOM 1467 O O . ASP A 1 193 ? 4.857 -32.882 -81.020 1.00 56.54 ? 193 ASP A O 1 ATOM 1468 C CB . ASP A 1 193 ? 5.711 -30.614 -82.429 1.00 37.74 ? 193 ASP A CB 1 ATOM 1469 C CG . ASP A 1 193 ? 6.672 -31.508 -83.190 1.00 43.62 ? 193 ASP A CG 1 ATOM 1470 O OD1 . ASP A 1 193 ? 6.291 -32.623 -83.612 1.00 49.04 ? 193 ASP A OD1 1 ATOM 1471 O OD2 . ASP A 1 193 ? 7.840 -31.089 -83.352 1.00 41.73 ? 193 ASP A OD2 1 ATOM 1472 N N . PRO A 1 194 ? 3.306 -33.339 -82.595 1.00 31.65 ? 194 PRO A N 1 ATOM 1473 C CA . PRO A 1 194 ? 3.039 -34.692 -82.105 1.00 26.63 ? 194 PRO A CA 1 ATOM 1474 C C . PRO A 1 194 ? 4.235 -35.623 -82.188 1.00 36.93 ? 194 PRO A C 1 ATOM 1475 O O . PRO A 1 194 ? 4.075 -36.819 -81.954 1.00 25.61 ? 194 PRO A O 1 ATOM 1476 C CB . PRO A 1 194 ? 1.929 -35.193 -83.038 1.00 49.05 ? 194 PRO A CB 1 ATOM 1477 C CG . PRO A 1 194 ? 2.037 -34.374 -84.241 1.00 28.58 ? 194 PRO A CG 1 ATOM 1478 C CD . PRO A 1 194 ? 2.472 -33.019 -83.760 1.00 33.61 ? 194 PRO A CD 1 ATOM 1479 N N . THR A 1 195 ? 5.406 -35.095 -82.529 1.00 27.27 ? 195 THR A N 1 ATOM 1480 C CA . THR A 1 195 ? 6.606 -35.918 -82.582 1.00 33.28 ? 195 THR A CA 1 ATOM 1481 C C . THR A 1 195 ? 7.510 -35.586 -81.406 1.00 32.85 ? 195 THR A C 1 ATOM 1482 O O . THR A 1 195 ? 8.558 -36.204 -81.230 1.00 33.16 ? 195 THR A O 1 ATOM 1483 C CB . THR A 1 195 ? 7.382 -35.777 -83.917 1.00 28.76 ? 195 THR A CB 1 ATOM 1484 O OG1 . THR A 1 195 ? 7.649 -34.397 -84.173 1.00 29.86 ? 195 THR A OG1 1 ATOM 1485 C CG2 . THR A 1 195 ? 6.588 -36.365 -85.076 1.00 29.31 ? 195 THR A CG2 1 ATOM 1486 N N . SER A 1 196 ? 7.097 -34.607 -80.604 1.00 36.71 ? 196 SER A N 1 ATOM 1487 C CA . SER A 1 196 ? 7.814 -34.268 -79.383 1.00 44.00 ? 196 SER A CA 1 ATOM 1488 C C . SER A 1 196 ? 6.849 -34.110 -78.206 1.00 40.87 ? 196 SER A C 1 ATOM 1489 O O . SER A 1 196 ? 6.686 -33.017 -77.645 1.00 41.29 ? 196 SER A O 1 ATOM 1490 C CB . SER A 1 196 ? 8.659 -33.010 -79.569 1.00 50.73 ? 196 SER A CB 1 ATOM 1491 O OG . SER A 1 196 ? 9.488 -32.807 -78.437 1.00 56.62 ? 196 SER A OG 1 ATOM 1492 N N . VAL A 1 197 ? 6.216 -35.221 -77.841 1.00 31.80 ? 197 VAL A N 1 ATOM 1493 C CA . VAL A 1 197 ? 5.303 -35.257 -76.709 1.00 30.22 ? 197 VAL A CA 1 ATOM 1494 C C . VAL A 1 197 ? 5.986 -35.837 -75.455 1.00 28.04 ? 197 VAL A C 1 ATOM 1495 O O . VAL A 1 197 ? 6.472 -36.968 -75.458 1.00 27.04 ? 197 VAL A O 1 ATOM 1496 C CB . VAL A 1 197 ? 4.026 -36.044 -77.057 1.00 26.34 ? 197 VAL A CB 1 ATOM 1497 C CG1 . VAL A 1 197 ? 3.056 -35.975 -75.932 1.00 25.06 ? 197 VAL A CG1 1 ATOM 1498 C CG2 . VAL A 1 197 ? 3.383 -35.466 -78.274 1.00 27.90 ? 197 VAL A CG2 1 ATOM 1499 N N . THR A 1 198 ? 6.035 -35.040 -74.393 1.00 25.14 ? 198 THR A N 1 ATOM 1500 C CA . THR A 1 198 ? 6.658 -35.459 -73.148 1.00 21.01 ? 198 THR A CA 1 ATOM 1501 C C . THR A 1 198 ? 5.583 -35.609 -72.086 1.00 29.08 ? 198 THR A C 1 ATOM 1502 O O . THR A 1 198 ? 4.838 -34.669 -71.816 1.00 25.00 ? 198 THR A O 1 ATOM 1503 C CB . THR A 1 198 ? 7.666 -34.416 -72.669 1.00 32.03 ? 198 THR A CB 1 ATOM 1504 O OG1 . THR A 1 198 ? 8.727 -34.320 -73.622 1.00 31.40 ? 198 THR A OG1 1 ATOM 1505 C CG2 . THR A 1 198 ? 8.235 -34.796 -71.311 1.00 21.05 ? 198 THR A CG2 1 ATOM 1506 N N . LEU A 1 199 ? 5.483 -36.794 -71.498 1.00 19.29 ? 199 LEU A N 1 ATOM 1507 C CA . LEU A 1 199 ? 4.516 -37.018 -70.438 1.00 20.29 ? 199 LEU A CA 1 ATOM 1508 C C . LEU A 1 199 ? 5.092 -36.575 -69.109 1.00 23.04 ? 199 LEU A C 1 ATOM 1509 O O . LEU A 1 199 ? 6.236 -36.904 -68.775 1.00 22.20 ? 199 LEU A O 1 ATOM 1510 C CB . LEU A 1 199 ? 4.210 -38.500 -70.310 1.00 26.62 ? 199 LEU A CB 1 ATOM 1511 C CG . LEU A 1 199 ? 3.707 -39.264 -71.511 1.00 31.87 ? 199 LEU A CG 1 ATOM 1512 C CD1 . LEU A 1 199 ? 3.550 -40.727 -71.112 1.00 17.40 ? 199 LEU A CD1 1 ATOM 1513 C CD2 . LEU A 1 199 ? 2.391 -38.647 -71.966 1.00 34.71 ? 199 LEU A CD2 1 ATOM 1514 N N . PHE A 1 200 ? 4.302 -35.853 -68.329 1.00 23.49 ? 200 PHE A N 1 ATOM 1515 C CA . PHE A 1 200 ? 4.692 -35.623 -66.947 1.00 24.26 ? 200 PHE A CA 1 ATOM 1516 C C . PHE A 1 200 ? 3.527 -35.756 -65.974 1.00 29.47 ? 200 PHE A C 1 ATOM 1517 O O . PHE A 1 200 ? 2.433 -35.247 -66.215 1.00 34.68 ? 200 PHE A O 1 ATOM 1518 C CB . PHE A 1 200 ? 5.513 -34.331 -66.768 1.00 20.61 ? 200 PHE A CB 1 ATOM 1519 C CG . PHE A 1 200 ? 4.727 -33.042 -66.885 1.00 24.88 ? 200 PHE A CG 1 ATOM 1520 C CD1 . PHE A 1 200 ? 3.656 -32.916 -67.731 1.00 27.76 ? 200 PHE A CD1 1 ATOM 1521 C CD2 . PHE A 1 200 ? 5.103 -31.936 -66.144 1.00 30.94 ? 200 PHE A CD2 1 ATOM 1522 C CE1 . PHE A 1 200 ? 2.971 -31.717 -67.818 1.00 29.85 ? 200 PHE A CE1 1 ATOM 1523 C CE2 . PHE A 1 200 ? 4.422 -30.746 -66.230 1.00 26.88 ? 200 PHE A CE2 1 ATOM 1524 C CZ . PHE A 1 200 ? 3.357 -30.635 -67.065 1.00 24.43 ? 200 PHE A CZ 1 ATOM 1525 N N . GLY A 1 201 ? 3.769 -36.493 -64.898 1.00 31.38 ? 201 GLY A N 1 ATOM 1526 C CA . GLY A 1 201 ? 2.773 -36.701 -63.866 1.00 35.32 ? 201 GLY A CA 1 ATOM 1527 C C . GLY A 1 201 ? 3.382 -36.683 -62.477 1.00 35.14 ? 201 GLY A C 1 ATOM 1528 O O . GLY A 1 201 ? 4.591 -36.801 -62.300 1.00 36.58 ? 201 GLY A O 1 ATOM 1529 N N . GLU A 1 202 ? 2.537 -36.530 -61.476 1.00 34.21 ? 202 GLU A N 1 ATOM 1530 C CA . GLU A 1 202 ? 3.010 -36.564 -60.110 1.00 35.51 ? 202 GLU A CA 1 ATOM 1531 C C . GLU A 1 202 ? 2.103 -37.514 -59.356 1.00 35.23 ? 202 GLU A C 1 ATOM 1532 O O . GLU A 1 202 ? 0.922 -37.635 -59.679 1.00 36.18 ? 202 GLU A O 1 ATOM 1533 C CB . GLU A 1 202 ? 2.992 -35.154 -59.506 1.00 41.43 ? 202 GLU A CB 1 ATOM 1534 C CG . GLU A 1 202 ? 3.566 -35.045 -58.101 1.00 41.36 ? 202 GLU A CG 1 ATOM 1535 C CD . GLU A 1 202 ? 2.538 -35.364 -57.019 1.00 41.95 ? 202 GLU A CD 1 ATOM 1536 O OE1 . GLU A 1 202 ? 1.317 -35.348 -57.315 1.00 38.14 ? 202 GLU A OE1 1 ATOM 1537 O OE2 . GLU A 1 202 ? 2.957 -35.641 -55.871 1.00 39.91 ? 202 GLU A OE2 1 ATOM 1538 N N . SER A 1 203 ? 2.663 -38.199 -58.367 1.00 35.64 ? 203 SER A N 1 ATOM 1539 C CA . SER A 1 203 ? 1.910 -39.159 -57.567 1.00 36.08 ? 203 SER A CA 1 ATOM 1540 C C . SER A 1 203 ? 1.432 -40.326 -58.432 1.00 34.88 ? 203 SER A C 1 ATOM 1541 O O . SER A 1 203 ? 2.231 -40.934 -59.146 1.00 28.89 ? 203 SER A O 1 ATOM 1542 C CB . SER A 1 203 ? 0.739 -38.484 -56.839 1.00 34.15 ? 203 SER A CB 1 ATOM 1543 O OG . SER A 1 203 ? 0.352 -39.253 -55.711 1.00 39.59 ? 203 SER A OG 1 ATOM 1544 N N . ALA A 1 204 ? 0.141 -40.644 -58.359 1.00 36.47 ? 204 ALA A N 1 ATOM 1545 C CA . ALA A 1 204 ? -0.430 -41.691 -59.202 1.00 34.34 ? 204 ALA A CA 1 ATOM 1546 C C . ALA A 1 204 ? -0.285 -41.291 -60.669 1.00 37.35 ? 204 ALA A C 1 ATOM 1547 O O . ALA A 1 204 ? -0.118 -42.138 -61.546 1.00 41.15 ? 204 ALA A O 1 ATOM 1548 C CB . ALA A 1 204 ? -1.892 -41.932 -58.852 1.00 30.47 ? 204 ALA A CB 1 ATOM 1549 N N . GLY A 1 205 ? -0.362 -39.989 -60.921 1.00 34.20 ? 205 GLY A N 1 ATOM 1550 C CA . GLY A 1 205 ? -0.015 -39.446 -62.213 1.00 33.54 ? 205 GLY A CA 1 ATOM 1551 C C . GLY A 1 205 ? 1.336 -39.959 -62.675 1.00 28.66 ? 205 GLY A C 1 ATOM 1552 O O . GLY A 1 205 ? 1.458 -40.440 -63.794 1.00 34.75 ? 205 GLY A O 1 ATOM 1553 N N . ALA A 1 206 ? 2.347 -39.872 -61.819 1.00 22.77 ? 206 ALA A N 1 ATOM 1554 C CA . ALA A 1 206 ? 3.654 -40.402 -62.181 1.00 26.81 ? 206 ALA A CA 1 ATOM 1555 C C . ALA A 1 206 ? 3.585 -41.912 -62.387 1.00 28.15 ? 206 ALA A C 1 ATOM 1556 O O . ALA A 1 206 ? 4.232 -42.446 -63.288 1.00 33.65 ? 206 ALA A O 1 ATOM 1557 C CB . ALA A 1 206 ? 4.731 -40.023 -61.155 1.00 15.77 ? 206 ALA A CB 1 ATOM 1558 N N . ALA A 1 207 ? 2.790 -42.604 -61.576 1.00 24.81 ? 207 ALA A N 1 ATOM 1559 C CA . ALA A 1 207 ? 2.673 -44.055 -61.725 1.00 26.88 ? 207 ALA A CA 1 ATOM 1560 C C . ALA A 1 207 ? 2.053 -44.407 -63.072 1.00 32.47 ? 207 ALA A C 1 ATOM 1561 O O . ALA A 1 207 ? 2.411 -45.409 -63.684 1.00 33.96 ? 207 ALA A O 1 ATOM 1562 C CB . ALA A 1 207 ? 1.866 -44.660 -60.597 1.00 26.90 ? 207 ALA A CB 1 ATOM 1563 N N . SER A 1 208 ? 1.127 -43.567 -63.530 1.00 36.04 ? 208 SER A N 1 ATOM 1564 C CA . SER A 1 208 ? 0.492 -43.755 -64.832 1.00 31.49 ? 208 SER A CA 1 ATOM 1565 C C . SER A 1 208 ? 1.516 -43.640 -65.956 1.00 33.95 ? 208 SER A C 1 ATOM 1566 O O . SER A 1 208 ? 1.741 -44.607 -66.686 1.00 32.24 ? 208 SER A O 1 ATOM 1567 C CB . SER A 1 208 ? -0.645 -42.756 -65.024 1.00 21.50 ? 208 SER A CB 1 ATOM 1568 O OG . SER A 1 208 ? -1.593 -42.882 -63.976 1.00 26.32 ? 208 SER A OG 1 ATOM 1569 N N . VAL A 1 209 ? 2.126 -42.459 -66.079 1.00 15.42 ? 209 VAL A N 1 ATOM 1570 C CA . VAL A 1 209 ? 3.266 -42.234 -66.959 1.00 15.75 ? 209 VAL A CA 1 ATOM 1571 C C . VAL A 1 209 ? 4.163 -43.457 -67.064 1.00 47.63 ? 209 VAL A C 1 ATOM 1572 O O . VAL A 1 209 ? 4.522 -43.893 -68.158 1.00 55.09 ? 209 VAL A O 1 ATOM 1573 C CB . VAL A 1 209 ? 4.161 -41.124 -66.424 1.00 17.70 ? 209 VAL A CB 1 ATOM 1574 C CG1 . VAL A 1 209 ? 5.354 -40.963 -67.336 1.00 18.28 ? 209 VAL A CG1 1 ATOM 1575 C CG2 . VAL A 1 209 ? 3.394 -39.818 -66.289 1.00 16.68 ? 209 VAL A CG2 1 ATOM 1576 N N . GLY A 1 210 ? 4.523 -44.006 -65.911 1.00 35.18 ? 210 GLY A N 1 ATOM 1577 C CA . GLY A 1 210 ? 5.332 -45.203 -65.862 1.00 26.69 ? 210 GLY A CA 1 ATOM 1578 C C . GLY A 1 210 ? 4.672 -46.395 -66.525 1.00 27.11 ? 210 GLY A C 1 ATOM 1579 O O . GLY A 1 210 ? 5.358 -47.219 -67.122 1.00 29.84 ? 210 GLY A O 1 ATOM 1580 N N . MET A 1 211 ? 3.349 -46.496 -66.428 1.00 24.49 ? 211 MET A N 1 ATOM 1581 C CA . MET A 1 211 ? 2.645 -47.638 -67.009 1.00 25.87 ? 211 MET A CA 1 ATOM 1582 C C . MET A 1 211 ? 2.514 -47.534 -68.531 1.00 31.86 ? 211 MET A C 1 ATOM 1583 O O . MET A 1 211 ? 2.409 -48.551 -69.231 1.00 26.85 ? 211 MET A O 1 ATOM 1584 C CB . MET A 1 211 ? 1.287 -47.822 -66.346 1.00 20.87 ? 211 MET A CB 1 ATOM 1585 C CG . MET A 1 211 ? 1.429 -48.054 -64.861 1.00 19.76 ? 211 MET A CG 1 ATOM 1586 S SD . MET A 1 211 ? -0.041 -48.654 -64.026 1.00 46.45 ? 211 MET A SD 1 ATOM 1587 C CE . MET A 1 211 ? 0.319 -48.133 -62.350 1.00 48.31 ? 211 MET A CE 1 ATOM 1588 N N . HIS A 1 212 ? 2.540 -46.301 -69.032 1.00 36.90 ? 212 HIS A N 1 ATOM 1589 C CA . HIS A 1 212 ? 2.538 -46.059 -70.457 1.00 16.48 ? 212 HIS A CA 1 ATOM 1590 C C . HIS A 1 212 ? 3.883 -46.406 -71.049 1.00 32.60 ? 212 HIS A C 1 ATOM 1591 O O . HIS A 1 212 ? 3.946 -46.853 -72.178 1.00 37.42 ? 212 HIS A O 1 ATOM 1592 C CB . HIS A 1 212 ? 2.158 -44.621 -70.764 1.00 29.47 ? 212 HIS A CB 1 ATOM 1593 C CG . HIS A 1 212 ? 0.714 -44.313 -70.502 1.00 31.95 ? 212 HIS A CG 1 ATOM 1594 N ND1 . HIS A 1 212 ? -0.305 -44.765 -71.316 1.00 39.48 ? 212 HIS A ND1 1 ATOM 1595 C CD2 . HIS A 1 212 ? 0.117 -43.599 -69.516 1.00 21.97 ? 212 HIS A CD2 1 ATOM 1596 C CE1 . HIS A 1 212 ? -1.465 -44.341 -70.843 1.00 36.92 ? 212 HIS A CE1 1 ATOM 1597 N NE2 . HIS A 1 212 ? -1.237 -43.627 -69.753 1.00 23.58 ? 212 HIS A NE2 1 ATOM 1598 N N . LEU A 1 213 ? 4.960 -46.228 -70.295 1.00 16.76 ? 213 LEU A N 1 ATOM 1599 C CA . LEU A 1 213 ? 6.274 -46.741 -70.719 1.00 30.54 ? 213 LEU A CA 1 ATOM 1600 C C . LEU A 1 213 ? 6.298 -48.256 -70.831 1.00 33.06 ? 213 LEU A C 1 ATOM 1601 O O . LEU A 1 213 ? 7.146 -48.827 -71.526 1.00 38.82 ? 213 LEU A O 1 ATOM 1602 C CB . LEU A 1 213 ? 7.360 -46.376 -69.719 1.00 17.14 ? 213 LEU A CB 1 ATOM 1603 C CG . LEU A 1 213 ? 7.710 -44.914 -69.540 1.00 29.35 ? 213 LEU A CG 1 ATOM 1604 C CD1 . LEU A 1 213 ? 8.599 -44.764 -68.313 1.00 22.12 ? 213 LEU A CD1 1 ATOM 1605 C CD2 . LEU A 1 213 ? 8.421 -44.441 -70.783 1.00 30.83 ? 213 LEU A CD2 1 ATOM 1606 N N . LEU A 1 214 ? 5.386 -48.908 -70.116 1.00 25.56 ? 214 LEU A N 1 ATOM 1607 C CA . LEU A 1 214 ? 5.461 -50.348 -69.939 1.00 25.59 ? 214 LEU A CA 1 ATOM 1608 C C . LEU A 1 214 ? 4.465 -51.087 -70.810 1.00 28.52 ? 214 LEU A C 1 ATOM 1609 O O . LEU A 1 214 ? 4.625 -52.286 -71.075 1.00 23.28 ? 214 LEU A O 1 ATOM 1610 C CB . LEU A 1 214 ? 5.279 -50.704 -68.464 1.00 22.34 ? 214 LEU A CB 1 ATOM 1611 C CG . LEU A 1 214 ? 6.447 -50.258 -67.581 1.00 28.13 ? 214 LEU A CG 1 ATOM 1612 C CD1 . LEU A 1 214 ? 6.017 -50.302 -66.142 1.00 32.73 ? 214 LEU A CD1 1 ATOM 1613 C CD2 . LEU A 1 214 ? 7.686 -51.115 -67.787 1.00 17.38 ? 214 LEU A CD2 1 ATOM 1614 N N . SER A 1 215 ? 3.451 -50.349 -71.254 1.00 28.28 ? 215 SER A N 1 ATOM 1615 C CA . SER A 1 215 ? 2.446 -50.844 -72.179 1.00 30.24 ? 215 SER A CA 1 ATOM 1616 C C . SER A 1 215 ? 2.812 -50.442 -73.604 1.00 31.16 ? 215 SER A C 1 ATOM 1617 O O . SER A 1 215 ? 2.774 -49.257 -73.933 1.00 36.57 ? 215 SER A O 1 ATOM 1618 C CB . SER A 1 215 ? 1.107 -50.219 -71.830 1.00 36.87 ? 215 SER A CB 1 ATOM 1619 O OG . SER A 1 215 ? 0.045 -50.860 -72.504 1.00 48.25 ? 215 SER A OG 1 ATOM 1620 N N . PRO A 1 216 ? 3.172 -51.422 -74.457 1.00 26.80 ? 216 PRO A N 1 ATOM 1621 C CA . PRO A 1 216 ? 3.512 -51.135 -75.856 1.00 30.78 ? 216 PRO A CA 1 ATOM 1622 C C . PRO A 1 216 ? 2.444 -50.411 -76.663 1.00 37.49 ? 216 PRO A C 1 ATOM 1623 O O . PRO A 1 216 ? 2.831 -49.583 -77.472 1.00 47.97 ? 216 PRO A O 1 ATOM 1624 C CB . PRO A 1 216 ? 3.800 -52.520 -76.444 1.00 27.57 ? 216 PRO A CB 1 ATOM 1625 C CG . PRO A 1 216 ? 4.309 -53.278 -75.292 1.00 21.31 ? 216 PRO A CG 1 ATOM 1626 C CD . PRO A 1 216 ? 3.497 -52.814 -74.109 1.00 24.45 ? 216 PRO A CD 1 ATOM 1627 N N . PRO A 1 217 ? 1.149 -50.707 -76.465 1.00 19.99 ? 217 PRO A N 1 ATOM 1628 C CA . PRO A 1 217 ? 0.171 -49.901 -77.202 1.00 30.26 ? 217 PRO A CA 1 ATOM 1629 C C . PRO A 1 217 ? 0.286 -48.382 -77.046 1.00 28.34 ? 217 PRO A C 1 ATOM 1630 O O . PRO A 1 217 ? -0.256 -47.657 -77.883 1.00 30.61 ? 217 PRO A O 1 ATOM 1631 C CB . PRO A 1 217 ? -1.156 -50.389 -76.641 1.00 20.09 ? 217 PRO A CB 1 ATOM 1632 C CG . PRO A 1 217 ? -0.908 -51.815 -76.368 1.00 53.75 ? 217 PRO A CG 1 ATOM 1633 C CD . PRO A 1 217 ? 0.524 -51.923 -75.916 1.00 49.70 ? 217 PRO A CD 1 ATOM 1634 N N . SER A 1 218 ? 0.982 -47.906 -76.019 1.00 24.16 ? 218 SER A N 1 ATOM 1635 C CA . SER A 1 218 ? 1.053 -46.473 -75.769 1.00 18.92 ? 218 SER A CA 1 ATOM 1636 C C . SER A 1 218 ? 2.342 -45.871 -76.289 1.00 30.17 ? 218 SER A C 1 ATOM 1637 O O . SER A 1 218 ? 2.414 -44.664 -76.509 1.00 29.34 ? 218 SER A O 1 ATOM 1638 C CB . SER A 1 218 ? 0.942 -46.181 -74.269 1.00 29.04 ? 218 SER A CB 1 ATOM 1639 O OG . SER A 1 218 ? -0.218 -46.764 -73.697 1.00 32.01 ? 218 SER A OG 1 ATOM 1640 N N . ARG A 1 219 ? 3.357 -46.711 -76.485 1.00 26.30 ? 219 ARG A N 1 ATOM 1641 C CA . ARG A 1 219 ? 4.710 -46.243 -76.800 1.00 27.96 ? 219 ARG A CA 1 ATOM 1642 C C . ARG A 1 219 ? 4.825 -45.323 -78.011 1.00 27.05 ? 219 ARG A C 1 ATOM 1643 O O . ARG A 1 219 ? 5.699 -44.453 -78.055 1.00 27.53 ? 219 ARG A O 1 ATOM 1644 C CB . ARG A 1 219 ? 5.667 -47.423 -76.938 1.00 34.06 ? 219 ARG A CB 1 ATOM 1645 C CG . ARG A 1 219 ? 5.951 -48.104 -75.608 1.00 36.35 ? 219 ARG A CG 1 ATOM 1646 C CD . ARG A 1 219 ? 6.347 -47.098 -74.518 1.00 36.69 ? 219 ARG A CD 1 ATOM 1647 N NE . ARG A 1 219 ? 7.622 -46.422 -74.773 1.00 42.43 ? 219 ARG A NE 1 ATOM 1648 C CZ . ARG A 1 219 ? 8.825 -46.978 -74.597 1.00 50.35 ? 219 ARG A CZ 1 ATOM 1649 N NH1 . ARG A 1 219 ? 8.936 -48.240 -74.183 1.00 56.03 ? 219 ARG A NH1 1 ATOM 1650 N NH2 . ARG A 1 219 ? 9.925 -46.275 -74.849 1.00 47.80 ? 219 ARG A NH2 1 ATOM 1651 N N . GLY A 1 220 ? 3.937 -45.508 -78.983 1.00 25.22 ? 220 GLY A N 1 ATOM 1652 C CA . GLY A 1 220 ? 3.885 -44.626 -80.136 1.00 32.53 ? 220 GLY A CA 1 ATOM 1653 C C . GLY A 1 220 ? 3.183 -43.301 -79.868 1.00 32.45 ? 220 GLY A C 1 ATOM 1654 O O . GLY A 1 220 ? 2.985 -42.506 -80.783 1.00 32.28 ? 220 GLY A O 1 ATOM 1655 N N . LEU A 1 221 ? 2.825 -43.049 -78.611 1.00 27.48 ? 221 LEU A N 1 ATOM 1656 C CA . LEU A 1 221 ? 2.043 -41.865 -78.276 1.00 24.26 ? 221 LEU A CA 1 ATOM 1657 C C . LEU A 1 221 ? 2.812 -40.795 -77.507 1.00 27.71 ? 221 LEU A C 1 ATOM 1658 O O . LEU A 1 221 ? 2.246 -39.736 -77.200 1.00 21.65 ? 221 LEU A O 1 ATOM 1659 C CB . LEU A 1 221 ? 0.807 -42.245 -77.471 1.00 25.30 ? 221 LEU A CB 1 ATOM 1660 C CG . LEU A 1 221 ? -0.271 -43.041 -78.179 1.00 31.51 ? 221 LEU A CG 1 ATOM 1661 C CD1 . LEU A 1 221 ? -1.146 -43.712 -77.129 1.00 19.83 ? 221 LEU A CD1 1 ATOM 1662 C CD2 . LEU A 1 221 ? -1.079 -42.123 -79.071 1.00 21.33 ? 221 LEU A CD2 1 ATOM 1663 N N . PHE A 1 222 ? 4.076 -41.059 -77.178 1.00 20.59 ? 222 PHE A N 1 ATOM 1664 C CA . PHE A 1 222 ? 4.894 -40.061 -76.477 1.00 26.68 ? 222 PHE A CA 1 ATOM 1665 C C . PHE A 1 222 ? 6.359 -40.397 -76.685 1.00 23.70 ? 222 PHE A C 1 ATOM 1666 O O . PHE A 1 222 ? 6.664 -41.441 -77.277 1.00 22.41 ? 222 PHE A O 1 ATOM 1667 C CB . PHE A 1 222 ? 4.548 -39.992 -74.979 1.00 29.33 ? 222 PHE A CB 1 ATOM 1668 C CG . PHE A 1 222 ? 4.970 -41.207 -74.209 1.00 32.35 ? 222 PHE A CG 1 ATOM 1669 C CD1 . PHE A 1 222 ? 4.249 -42.383 -74.295 1.00 35.29 ? 222 PHE A CD1 1 ATOM 1670 C CD2 . PHE A 1 222 ? 6.099 -41.181 -73.419 1.00 37.55 ? 222 PHE A CD2 1 ATOM 1671 C CE1 . PHE A 1 222 ? 4.649 -43.507 -73.608 1.00 40.78 ? 222 PHE A CE1 1 ATOM 1672 C CE2 . PHE A 1 222 ? 6.496 -42.301 -72.733 1.00 38.88 ? 222 PHE A CE2 1 ATOM 1673 C CZ . PHE A 1 222 ? 5.769 -43.465 -72.830 1.00 38.77 ? 222 PHE A CZ 1 ATOM 1674 N N . HIS A 1 223 ? 7.253 -39.524 -76.207 1.00 21.19 ? 223 HIS A N 1 ATOM 1675 C CA . HIS A 1 223 ? 8.691 -39.636 -76.504 1.00 31.24 ? 223 HIS A CA 1 ATOM 1676 C C . HIS A 1 223 ? 9.595 -39.410 -75.294 1.00 28.94 ? 223 HIS A C 1 ATOM 1677 O O . HIS A 1 223 ? 10.782 -39.726 -75.331 1.00 31.13 ? 223 HIS A O 1 ATOM 1678 C CB . HIS A 1 223 ? 9.090 -38.682 -77.645 1.00 23.07 ? 223 HIS A CB 1 ATOM 1679 C CG . HIS A 1 223 ? 8.101 -38.650 -78.769 1.00 45.44 ? 223 HIS A CG 1 ATOM 1680 N ND1 . HIS A 1 223 ? 6.979 -37.846 -78.752 1.00 39.89 ? 223 HIS A ND1 1 ATOM 1681 C CD2 . HIS A 1 223 ? 8.044 -39.347 -79.932 1.00 50.48 ? 223 HIS A CD2 1 ATOM 1682 C CE1 . HIS A 1 223 ? 6.283 -38.039 -79.859 1.00 44.45 ? 223 HIS A CE1 1 ATOM 1683 N NE2 . HIS A 1 223 ? 6.910 -38.943 -80.595 1.00 48.59 ? 223 HIS A NE2 1 ATOM 1684 N N . ARG A 1 224 ? 9.026 -38.844 -74.235 1.00 29.17 ? 224 ARG A N 1 ATOM 1685 C CA . ARG A 1 224 ? 9.745 -38.592 -72.997 1.00 23.09 ? 224 ARG A CA 1 ATOM 1686 C C . ARG A 1 224 ? 8.775 -38.738 -71.850 1.00 28.51 ? 224 ARG A C 1 ATOM 1687 O O . ARG A 1 224 ? 7.568 -38.549 -72.023 1.00 25.13 ? 224 ARG A O 1 ATOM 1688 C CB . ARG A 1 224 ? 10.299 -37.178 -72.985 1.00 23.46 ? 224 ARG A CB 1 ATOM 1689 C CG . ARG A 1 224 ? 11.435 -36.944 -73.951 1.00 30.46 ? 224 ARG A CG 1 ATOM 1690 C CD . ARG A 1 224 ? 11.814 -35.480 -74.029 1.00 23.59 ? 224 ARG A CD 1 ATOM 1691 N NE . ARG A 1 224 ? 12.925 -35.316 -74.949 1.00 57.50 ? 224 ARG A NE 1 ATOM 1692 C CZ . ARG A 1 224 ? 12.795 -35.218 -76.269 1.00 53.31 ? 224 ARG A CZ 1 ATOM 1693 N NH1 . ARG A 1 224 ? 11.588 -35.251 -76.829 1.00 50.53 ? 224 ARG A NH1 1 ATOM 1694 N NH2 . ARG A 1 224 ? 13.873 -35.085 -77.031 1.00 55.68 ? 224 ARG A NH2 1 ATOM 1695 N N . ALA A 1 225 ? 9.308 -39.059 -70.675 1.00 38.14 ? 225 ALA A N 1 ATOM 1696 C CA . ALA A 1 225 ? 8.501 -39.238 -69.466 1.00 30.26 ? 225 ALA A CA 1 ATOM 1697 C C . ALA A 1 225 ? 9.128 -38.508 -68.299 1.00 21.72 ? 225 ALA A C 1 ATOM 1698 O O . ALA A 1 225 ? 10.338 -38.542 -68.141 1.00 22.29 ? 225 ALA A O 1 ATOM 1699 C CB . ALA A 1 225 ? 8.386 -40.709 -69.133 1.00 29.14 ? 225 ALA A CB 1 ATOM 1700 N N . VAL A 1 226 ? 8.309 -37.846 -67.488 1.00 28.14 ? 226 VAL A N 1 ATOM 1701 C CA . VAL A 1 226 ? 8.770 -37.289 -66.205 1.00 34.90 ? 226 VAL A CA 1 ATOM 1702 C C . VAL A 1 226 ? 7.968 -37.861 -65.030 1.00 32.56 ? 226 VAL A C 1 ATOM 1703 O O . VAL A 1 226 ? 6.758 -37.656 -64.945 1.00 36.36 ? 226 VAL A O 1 ATOM 1704 C CB . VAL A 1 226 ? 8.644 -35.744 -66.137 1.00 32.80 ? 226 VAL A CB 1 ATOM 1705 C CG1 . VAL A 1 226 ? 9.019 -35.258 -64.752 1.00 36.64 ? 226 VAL A CG1 1 ATOM 1706 C CG2 . VAL A 1 226 ? 9.502 -35.064 -67.183 1.00 25.12 ? 226 VAL A CG2 1 ATOM 1707 N N . LEU A 1 227 ? 8.633 -38.562 -64.117 1.00 33.49 ? 227 LEU A N 1 ATOM 1708 C CA . LEU A 1 227 ? 7.923 -39.178 -62.981 1.00 30.85 ? 227 LEU A CA 1 ATOM 1709 C C . LEU A 1 227 ? 8.123 -38.425 -61.657 1.00 30.22 ? 227 LEU A C 1 ATOM 1710 O O . LEU A 1 227 ? 9.210 -38.440 -61.089 1.00 24.91 ? 227 LEU A O 1 ATOM 1711 C CB . LEU A 1 227 ? 8.322 -40.641 -62.824 1.00 18.84 ? 227 LEU A CB 1 ATOM 1712 C CG . LEU A 1 227 ? 7.693 -41.575 -63.855 1.00 23.91 ? 227 LEU A CG 1 ATOM 1713 C CD1 . LEU A 1 227 ? 8.343 -41.411 -65.196 1.00 29.68 ? 227 LEU A CD1 1 ATOM 1714 C CD2 . LEU A 1 227 ? 7.790 -43.015 -63.405 1.00 27.26 ? 227 LEU A CD2 1 ATOM 1715 N N . GLN A 1 228 ? 7.086 -37.754 -61.173 1.00 31.83 ? 228 GLN A N 1 ATOM 1716 C CA . GLN A 1 228 ? 7.246 -36.946 -59.966 1.00 35.22 ? 228 GLN A CA 1 ATOM 1717 C C . GLN A 1 228 ? 6.645 -37.602 -58.721 1.00 35.73 ? 228 GLN A C 1 ATOM 1718 O O . GLN A 1 228 ? 5.417 -37.704 -58.578 1.00 32.02 ? 228 GLN A O 1 ATOM 1719 C CB . GLN A 1 228 ? 6.674 -35.540 -60.159 1.00 29.47 ? 228 GLN A CB 1 ATOM 1720 C CG . GLN A 1 228 ? 7.409 -34.712 -61.177 1.00 21.87 ? 228 GLN A CG 1 ATOM 1721 C CD . GLN A 1 228 ? 6.619 -33.488 -61.585 1.00 32.58 ? 228 GLN A CD 1 ATOM 1722 O OE1 . GLN A 1 228 ? 5.513 -33.602 -62.114 1.00 39.68 ? 228 GLN A OE1 1 ATOM 1723 N NE2 . GLN A 1 228 ? 7.176 -32.307 -61.332 1.00 36.82 ? 228 GLN A NE2 1 ATOM 1724 N N . SER A 1 229 ? 7.531 -38.037 -57.829 1.00 32.59 ? 229 SER A N 1 ATOM 1725 C CA . SER A 1 229 ? 7.137 -38.603 -56.545 1.00 35.79 ? 229 SER A CA 1 ATOM 1726 C C . SER A 1 229 ? 6.186 -39.775 -56.720 1.00 28.53 ? 229 SER A C 1 ATOM 1727 O O . SER A 1 229 ? 5.238 -39.925 -55.954 1.00 29.39 ? 229 SER A O 1 ATOM 1728 C CB . SER A 1 229 ? 6.495 -37.535 -55.641 1.00 36.36 ? 229 SER A CB 1 ATOM 1729 O OG . SER A 1 229 ? 7.251 -36.330 -55.641 1.00 39.24 ? 229 SER A OG 1 ATOM 1730 N N . GLY A 1 230 ? 6.434 -40.600 -57.728 1.00 20.48 ? 230 GLY A N 1 ATOM 1731 C CA . GLY A 1 230 ? 5.595 -41.761 -57.958 1.00 23.55 ? 230 GLY A CA 1 ATOM 1732 C C . GLY A 1 230 ? 6.227 -42.722 -58.942 1.00 28.85 ? 230 GLY A C 1 ATOM 1733 O O . GLY A 1 230 ? 7.087 -42.329 -59.723 1.00 39.49 ? 230 GLY A O 1 ATOM 1734 N N . ALA A 1 231 ? 5.809 -43.981 -58.912 1.00 18.44 ? 231 ALA A N 1 ATOM 1735 C CA . ALA A 1 231 ? 6.324 -44.955 -59.869 1.00 22.52 ? 231 ALA A CA 1 ATOM 1736 C C . ALA A 1 231 ? 5.339 -46.102 -60.062 1.00 34.78 ? 231 ALA A C 1 ATOM 1737 O O . ALA A 1 231 ? 4.683 -46.520 -59.118 1.00 41.61 ? 231 ALA A O 1 ATOM 1738 C CB . ALA A 1 231 ? 7.674 -45.485 -59.414 1.00 19.79 ? 231 ALA A CB 1 ATOM 1739 N N . PRO A 1 232 ? 5.251 -46.636 -61.289 1.00 35.26 ? 232 PRO A N 1 ATOM 1740 C CA . PRO A 1 232 ? 4.306 -47.717 -61.561 1.00 29.53 ? 232 PRO A CA 1 ATOM 1741 C C . PRO A 1 232 ? 4.598 -48.954 -60.725 1.00 29.31 ? 232 PRO A C 1 ATOM 1742 O O . PRO A 1 232 ? 3.727 -49.800 -60.566 1.00 33.20 ? 232 PRO A O 1 ATOM 1743 C CB . PRO A 1 232 ? 4.556 -48.020 -63.043 1.00 26.66 ? 232 PRO A CB 1 ATOM 1744 C CG . PRO A 1 232 ? 5.960 -47.634 -63.263 1.00 24.97 ? 232 PRO A CG 1 ATOM 1745 C CD . PRO A 1 232 ? 6.133 -46.391 -62.444 1.00 33.47 ? 232 PRO A CD 1 ATOM 1746 N N . ASN A 1 233 ? 5.807 -49.062 -60.190 1.00 34.55 ? 233 ASN A N 1 ATOM 1747 C CA . ASN A 1 233 ? 6.148 -50.236 -59.387 1.00 40.22 ? 233 ASN A CA 1 ATOM 1748 C C . ASN A 1 233 ? 6.017 -50.075 -57.864 1.00 41.52 ? 233 ASN A C 1 ATOM 1749 O O . ASN A 1 233 ? 6.345 -50.997 -57.121 1.00 45.53 ? 233 ASN A O 1 ATOM 1750 C CB . ASN A 1 233 ? 7.524 -50.792 -59.764 1.00 35.05 ? 233 ASN A CB 1 ATOM 1751 C CG . ASN A 1 233 ? 8.644 -49.841 -59.446 1.00 35.38 ? 233 ASN A CG 1 ATOM 1752 O OD1 . ASN A 1 233 ? 8.488 -48.623 -59.536 1.00 33.70 ? 233 ASN A OD1 1 ATOM 1753 N ND2 . ASN A 1 233 ? 9.792 -50.391 -59.064 1.00 40.28 ? 233 ASN A ND2 1 ATOM 1754 N N . GLY A 1 234 ? 5.535 -48.921 -57.402 1.00 32.86 ? 234 GLY A N 1 ATOM 1755 C CA . GLY A 1 234 ? 5.209 -48.743 -55.995 1.00 28.81 ? 234 GLY A CA 1 ATOM 1756 C C . GLY A 1 234 ? 4.117 -49.700 -55.533 1.00 37.04 ? 234 GLY A C 1 ATOM 1757 O O . GLY A 1 234 ? 3.278 -50.111 -56.340 1.00 48.89 ? 234 GLY A O 1 ATOM 1758 N N . PRO A 1 235 ? 4.129 -50.069 -54.234 1.00 33.98 ? 235 PRO A N 1 ATOM 1759 C CA . PRO A 1 235 ? 3.197 -51.016 -53.598 1.00 29.22 ? 235 PRO A CA 1 ATOM 1760 C C . PRO A 1 235 ? 1.721 -50.594 -53.612 1.00 25.45 ? 235 PRO A C 1 ATOM 1761 O O . PRO A 1 235 ? 0.833 -51.437 -53.443 1.00 23.54 ? 235 PRO A O 1 ATOM 1762 C CB . PRO A 1 235 ? 3.706 -51.089 -52.153 1.00 17.54 ? 235 PRO A CB 1 ATOM 1763 C CG . PRO A 1 235 ? 4.548 -49.874 -51.972 1.00 17.37 ? 235 PRO A CG 1 ATOM 1764 C CD . PRO A 1 235 ? 5.168 -49.621 -53.291 1.00 38.48 ? 235 PRO A CD 1 ATOM 1765 N N . TRP A 1 236 ? 1.459 -49.314 -53.824 1.00 21.02 ? 236 TRP A N 1 ATOM 1766 C CA . TRP A 1 236 ? 0.098 -48.827 -53.818 1.00 16.32 ? 236 TRP A CA 1 ATOM 1767 C C . TRP A 1 236 ? -0.427 -48.642 -55.230 1.00 32.77 ? 236 TRP A C 1 ATOM 1768 O O . TRP A 1 236 ? -1.613 -48.382 -55.412 1.00 36.58 ? 236 TRP A O 1 ATOM 1769 C CB . TRP A 1 236 ? 0.085 -47.484 -53.139 1.00 24.91 ? 236 TRP A CB 1 ATOM 1770 C CG . TRP A 1 236 ? 1.135 -46.638 -53.709 1.00 25.53 ? 236 TRP A CG 1 ATOM 1771 C CD1 . TRP A 1 236 ? 2.438 -46.546 -53.302 1.00 30.67 ? 236 TRP A CD1 1 ATOM 1772 C CD2 . TRP A 1 236 ? 1.006 -45.788 -54.836 1.00 26.69 ? 236 TRP A CD2 1 ATOM 1773 N NE1 . TRP A 1 236 ? 3.124 -45.663 -54.102 1.00 30.20 ? 236 TRP A NE1 1 ATOM 1774 C CE2 . TRP A 1 236 ? 2.263 -45.186 -55.053 1.00 30.88 ? 236 TRP A CE2 1 ATOM 1775 C CE3 . TRP A 1 236 ? -0.055 -45.463 -55.679 1.00 21.30 ? 236 TRP A CE3 1 ATOM 1776 C CZ2 . TRP A 1 236 ? 2.482 -44.286 -56.080 1.00 24.43 ? 236 TRP A CZ2 1 ATOM 1777 C CZ3 . TRP A 1 236 ? 0.167 -44.570 -56.691 1.00 23.02 ? 236 TRP A CZ3 1 ATOM 1778 C CH2 . TRP A 1 236 ? 1.422 -43.991 -56.887 1.00 20.31 ? 236 TRP A CH2 1 ATOM 1779 N N . ALA A 1 237 ? 0.447 -48.758 -56.233 1.00 29.47 ? 237 ALA A N 1 ATOM 1780 C CA . ALA A 1 237 ? 0.061 -48.437 -57.615 1.00 29.50 ? 237 ALA A CA 1 ATOM 1781 C C . ALA A 1 237 ? -0.571 -49.585 -58.384 1.00 29.53 ? 237 ALA A C 1 ATOM 1782 O O . ALA A 1 237 ? -1.372 -49.350 -59.279 1.00 35.81 ? 237 ALA A O 1 ATOM 1783 C CB . ALA A 1 237 ? 1.229 -47.834 -58.411 1.00 27.61 ? 237 ALA A CB 1 ATOM 1784 N N . THR A 1 238 ? -0.214 -50.823 -58.056 1.00 28.97 ? 238 THR A N 1 ATOM 1785 C CA . THR A 1 238 ? -0.872 -51.972 -58.699 1.00 30.56 ? 238 THR A CA 1 ATOM 1786 C C . THR A 1 238 ? -1.460 -52.982 -57.730 1.00 29.43 ? 238 THR A C 1 ATOM 1787 O O . THR A 1 238 ? -0.995 -53.146 -56.607 1.00 45.05 ? 238 THR A O 1 ATOM 1788 C CB . THR A 1 238 ? 0.024 -52.724 -59.738 1.00 27.18 ? 238 THR A CB 1 ATOM 1789 O OG1 . THR A 1 238 ? 1.327 -52.991 -59.193 1.00 33.39 ? 238 THR A OG1 1 ATOM 1790 C CG2 . THR A 1 238 ? 0.164 -51.899 -60.997 1.00 23.16 ? 238 THR A CG2 1 ATOM 1791 N N . VAL A 1 239 ? -2.497 -53.653 -58.193 1.00 24.91 ? 239 VAL A N 1 ATOM 1792 C CA . VAL A 1 239 ? -3.146 -54.697 -57.433 1.00 25.71 ? 239 VAL A CA 1 ATOM 1793 C C . VAL A 1 239 ? -3.234 -55.935 -58.325 1.00 35.65 ? 239 VAL A C 1 ATOM 1794 O O . VAL A 1 239 ? -3.255 -55.827 -59.553 1.00 39.89 ? 239 VAL A O 1 ATOM 1795 C CB . VAL A 1 239 ? -4.540 -54.246 -56.980 1.00 22.55 ? 239 VAL A CB 1 ATOM 1796 C CG1 . VAL A 1 239 ? -5.462 -54.038 -58.171 1.00 18.07 ? 239 VAL A CG1 1 ATOM 1797 C CG2 . VAL A 1 239 ? -5.129 -55.246 -56.045 1.00 34.91 ? 239 VAL A CG2 1 ATOM 1798 N N . GLY A 1 240 ? -3.251 -57.113 -57.716 1.00 40.18 ? 240 GLY A N 1 ATOM 1799 C CA . GLY A 1 240 ? -3.336 -58.350 -58.473 1.00 41.41 ? 240 GLY A CA 1 ATOM 1800 C C . GLY A 1 240 ? -4.718 -58.592 -59.044 1.00 36.73 ? 240 GLY A C 1 ATOM 1801 O O . GLY A 1 240 ? -5.639 -57.813 -58.825 1.00 36.95 ? 240 GLY A O 1 ATOM 1802 N N . MET A 1 241 ? -4.872 -59.672 -59.792 1.00 36.58 ? 241 MET A N 1 ATOM 1803 C CA . MET A 1 241 ? -6.163 -59.952 -60.393 1.00 40.21 ? 241 MET A CA 1 ATOM 1804 C C . MET A 1 241 ? -7.065 -60.501 -59.322 1.00 41.70 ? 241 MET A C 1 ATOM 1805 O O . MET A 1 241 ? -8.211 -60.080 -59.190 1.00 40.10 ? 241 MET A O 1 ATOM 1806 C CB . MET A 1 241 ? -6.034 -60.974 -61.510 1.00 48.48 ? 241 MET A CB 1 ATOM 1807 C CG . MET A 1 241 ? -5.870 -60.397 -62.896 1.00 48.77 ? 241 MET A CG 1 ATOM 1808 S SD . MET A 1 241 ? -5.488 -61.761 -64.003 1.00 47.06 ? 241 MET A SD 1 ATOM 1809 C CE . MET A 1 241 ? -4.008 -62.406 -63.206 1.00 121.51 ? 241 MET A CE 1 ATOM 1810 N N . GLY A 1 242 ? -6.533 -61.451 -58.560 1.00 43.30 ? 242 GLY A N 1 ATOM 1811 C CA . GLY A 1 242 ? -7.261 -62.024 -57.450 1.00 40.44 ? 242 GLY A CA 1 ATOM 1812 C C . GLY A 1 242 ? -7.726 -60.948 -56.491 1.00 32.89 ? 242 GLY A C 1 ATOM 1813 O O . GLY A 1 242 ? -8.896 -60.909 -56.117 1.00 24.33 ? 242 GLY A O 1 ATOM 1814 N N . GLU A 1 243 ? -6.815 -60.055 -56.119 1.00 27.19 ? 243 GLU A N 1 ATOM 1815 C CA . GLU A 1 243 ? -7.135 -59.013 -55.155 1.00 35.71 ? 243 GLU A CA 1 ATOM 1816 C C . GLU A 1 243 ? -8.200 -58.020 -55.641 1.00 38.40 ? 243 GLU A C 1 ATOM 1817 O O . GLU A 1 243 ? -9.022 -57.556 -54.854 1.00 41.06 ? 243 GLU A O 1 ATOM 1818 C CB . GLU A 1 243 ? -5.866 -58.289 -54.703 1.00 43.68 ? 243 GLU A CB 1 ATOM 1819 C CG . GLU A 1 243 ? -5.574 -58.424 -53.206 1.00 56.31 ? 243 GLU A CG 1 ATOM 1820 C CD . GLU A 1 243 ? -6.670 -57.828 -52.338 1.00 57.18 ? 243 GLU A CD 1 ATOM 1821 O OE1 . GLU A 1 243 ? -6.805 -56.580 -52.308 1.00 44.97 ? 243 GLU A OE1 1 ATOM 1822 O OE2 . GLU A 1 243 ? -7.397 -58.616 -51.686 1.00 61.56 ? 243 GLU A OE2 1 ATOM 1823 N N . ALA A 1 244 ? -8.209 -57.701 -56.930 1.00 38.72 ? 244 ALA A N 1 ATOM 1824 C CA . ALA A 1 244 ? -9.156 -56.702 -57.420 1.00 38.09 ? 244 ALA A CA 1 ATOM 1825 C C . ALA A 1 244 ? -10.544 -57.289 -57.658 1.00 32.64 ? 244 ALA A C 1 ATOM 1826 O O . ALA A 1 244 ? -11.541 -56.563 -57.667 1.00 30.86 ? 244 ALA A O 1 ATOM 1827 C CB . ALA A 1 244 ? -8.629 -56.014 -58.671 1.00 39.12 ? 244 ALA A CB 1 ATOM 1828 N N . ARG A 1 245 ? -10.607 -58.602 -57.855 1.00 28.12 ? 245 ARG A N 1 ATOM 1829 C CA . ARG A 1 245 ? -11.894 -59.274 -57.979 1.00 28.79 ? 245 ARG A CA 1 ATOM 1830 C C . ARG A 1 245 ? -12.573 -59.299 -56.626 1.00 33.66 ? 245 ARG A C 1 ATOM 1831 O O . ARG A 1 245 ? -13.792 -59.140 -56.528 1.00 30.65 ? 245 ARG A O 1 ATOM 1832 C CB . ARG A 1 245 ? -11.724 -60.698 -58.478 1.00 25.20 ? 245 ARG A CB 1 ATOM 1833 C CG . ARG A 1 245 ? -13.038 -61.394 -58.709 1.00 29.72 ? 245 ARG A CG 1 ATOM 1834 C CD . ARG A 1 245 ? -12.870 -62.673 -59.497 1.00 28.04 ? 245 ARG A CD 1 ATOM 1835 N NE . ARG A 1 245 ? -13.969 -62.843 -60.432 1.00 42.09 ? 245 ARG A NE 1 ATOM 1836 C CZ . ARG A 1 245 ? -13.946 -62.399 -61.682 1.00 53.91 ? 245 ARG A CZ 1 ATOM 1837 N NH1 . ARG A 1 245 ? -12.867 -61.769 -62.144 1.00 62.06 ? 245 ARG A NH1 1 ATOM 1838 N NH2 . ARG A 1 245 ? -14.993 -62.592 -62.474 1.00 47.98 ? 245 ARG A NH2 1 ATOM 1839 N N . ARG A 1 246 ? -11.765 -59.499 -55.586 1.00 37.11 ? 246 ARG A N 1 ATOM 1840 C CA . ARG A 1 246 ? -12.229 -59.472 -54.210 1.00 28.62 ? 246 ARG A CA 1 ATOM 1841 C C . ARG A 1 246 ? -12.815 -58.108 -53.875 1.00 31.70 ? 246 ARG A C 1 ATOM 1842 O O . ARG A 1 246 ? -13.929 -58.026 -53.358 1.00 39.15 ? 246 ARG A O 1 ATOM 1843 C CB . ARG A 1 246 ? -11.077 -59.784 -53.265 1.00 30.78 ? 246 ARG A CB 1 ATOM 1844 C CG . ARG A 1 246 ? -11.441 -60.709 -52.120 1.00 47.79 ? 246 ARG A CG 1 ATOM 1845 C CD . ARG A 1 246 ? -10.939 -60.175 -50.792 1.00 54.17 ? 246 ARG A CD 1 ATOM 1846 N NE . ARG A 1 246 ? -11.625 -58.944 -50.400 1.00 59.56 ? 246 ARG A NE 1 ATOM 1847 C CZ . ARG A 1 246 ? -11.023 -57.764 -50.259 1.00 59.48 ? 246 ARG A CZ 1 ATOM 1848 N NH1 . ARG A 1 246 ? -9.712 -57.653 -50.473 1.00 52.39 ? 246 ARG A NH1 1 ATOM 1849 N NH2 . ARG A 1 246 ? -11.729 -56.693 -49.898 1.00 58.40 ? 246 ARG A NH2 1 ATOM 1850 N N . ARG A 1 247 ? -12.075 -57.042 -54.184 1.00 23.76 ? 247 ARG A N 1 ATOM 1851 C CA . ARG A 1 247 ? -12.511 -55.684 -53.846 1.00 23.30 ? 247 ARG A CA 1 ATOM 1852 C C . ARG A 1 247 ? -13.785 -55.303 -54.584 1.00 39.04 ? 247 ARG A C 1 ATOM 1853 O O . ARG A 1 247 ? -14.705 -54.727 -54.014 1.00 41.65 ? 247 ARG A O 1 ATOM 1854 C CB . ARG A 1 247 ? -11.414 -54.656 -54.132 1.00 23.93 ? 247 ARG A CB 1 ATOM 1855 C CG . ARG A 1 247 ? -10.070 -54.984 -53.510 1.00 21.63 ? 247 ARG A CG 1 ATOM 1856 C CD . ARG A 1 247 ? -9.377 -53.740 -52.984 1.00 25.10 ? 247 ARG A CD 1 ATOM 1857 N NE . ARG A 1 247 ? -8.042 -54.043 -52.472 1.00 24.79 ? 247 ARG A NE 1 ATOM 1858 C CZ . ARG A 1 247 ? -6.990 -53.248 -52.638 1.00 25.27 ? 247 ARG A CZ 1 ATOM 1859 N NH1 . ARG A 1 247 ? -7.128 -52.117 -53.298 1.00 23.74 ? 247 ARG A NH1 1 ATOM 1860 N NH2 . ARG A 1 247 ? -5.804 -53.580 -52.154 1.00 33.09 ? 247 ARG A NH2 1 ATOM 1861 N N . ALA A 1 248 ? -13.843 -55.641 -55.861 1.00 43.22 ? 248 ALA A N 1 ATOM 1862 C CA . ALA A 1 248 ? -15.021 -55.341 -56.648 1.00 44.42 ? 248 ALA A CA 1 ATOM 1863 C C . ALA A 1 248 ? -16.213 -56.197 -56.224 1.00 41.32 ? 248 ALA A C 1 ATOM 1864 O O . ALA A 1 248 ? -17.353 -55.750 -56.308 1.00 47.33 ? 248 ALA A O 1 ATOM 1865 C CB . ALA A 1 248 ? -14.726 -55.515 -58.121 1.00 45.77 ? 248 ALA A CB 1 ATOM 1866 N N . THR A 1 249 ? -15.966 -57.420 -55.764 1.00 35.41 ? 249 THR A N 1 ATOM 1867 C CA . THR A 1 249 ? -17.082 -58.272 -55.341 1.00 34.78 ? 249 THR A CA 1 ATOM 1868 C C . THR A 1 249 ? -17.593 -57.840 -53.979 1.00 36.98 ? 249 THR A C 1 ATOM 1869 O O . THR A 1 249 ? -18.793 -57.910 -53.717 1.00 36.65 ? 249 THR A O 1 ATOM 1870 C CB . THR A 1 249 ? -16.738 -59.772 -55.295 1.00 34.08 ? 249 THR A CB 1 ATOM 1871 O OG1 . THR A 1 249 ? -16.276 -60.208 -56.577 1.00 35.35 ? 249 THR A OG1 1 ATOM 1872 C CG2 . THR A 1 249 ? -17.972 -60.573 -54.944 1.00 39.72 ? 249 THR A CG2 1 ATOM 1873 N N . GLN A 1 250 ? -16.688 -57.385 -53.115 1.00 41.09 ? 250 GLN A N 1 ATOM 1874 C CA . GLN A 1 250 ? -17.101 -56.844 -51.824 1.00 45.63 ? 250 GLN A CA 1 ATOM 1875 C C . GLN A 1 250 ? -17.952 -55.592 -52.024 1.00 43.84 ? 250 GLN A C 1 ATOM 1876 O O . GLN A 1 250 ? -19.055 -55.497 -51.473 1.00 44.01 ? 250 GLN A O 1 ATOM 1877 C CB . GLN A 1 250 ? -15.902 -56.547 -50.925 1.00 52.44 ? 250 GLN A CB 1 ATOM 1878 C CG . GLN A 1 250 ? -16.060 -57.105 -49.522 1.00 65.78 ? 250 GLN A CG 1 ATOM 1879 C CD . GLN A 1 250 ? -15.688 -56.100 -48.452 1.00 72.46 ? 250 GLN A CD 1 ATOM 1880 O OE1 . GLN A 1 250 ? -14.681 -55.399 -48.569 1.00 71.41 ? 250 GLN A OE1 1 ATOM 1881 N NE2 . GLN A 1 250 ? -16.505 -56.020 -47.402 1.00 74.74 ? 250 GLN A NE2 1 ATOM 1882 N N . LEU A 1 251 ? -17.449 -54.653 -52.830 1.00 36.62 ? 251 LEU A N 1 ATOM 1883 C CA . LEU A 1 251 ? -18.220 -53.464 -53.205 1.00 33.89 ? 251 LEU A CA 1 ATOM 1884 C C . LEU A 1 251 ? -19.607 -53.821 -53.757 1.00 36.98 ? 251 LEU A C 1 ATOM 1885 O O . LEU A 1 251 ? -20.615 -53.261 -53.330 1.00 34.24 ? 251 LEU A O 1 ATOM 1886 C CB . LEU A 1 251 ? -17.446 -52.596 -54.195 1.00 25.21 ? 251 LEU A CB 1 ATOM 1887 C CG . LEU A 1 251 ? -18.128 -51.303 -54.664 1.00 38.09 ? 251 LEU A CG 1 ATOM 1888 C CD1 . LEU A 1 251 ? -18.791 -50.559 -53.535 1.00 36.10 ? 251 LEU A CD1 1 ATOM 1889 C CD2 . LEU A 1 251 ? -17.138 -50.378 -55.306 1.00 41.23 ? 251 LEU A CD2 1 ATOM 1890 N N . ALA A 1 252 ? -19.653 -54.758 -54.698 1.00 43.52 ? 252 ALA A N 1 ATOM 1891 C CA . ALA A 1 252 ? -20.919 -55.266 -55.218 1.00 42.00 ? 252 ALA A CA 1 ATOM 1892 C C . ALA A 1 252 ? -21.831 -55.685 -54.073 1.00 48.38 ? 252 ALA A C 1 ATOM 1893 O O . ALA A 1 252 ? -22.999 -55.307 -54.040 1.00 40.78 ? 252 ALA A O 1 ATOM 1894 C CB . ALA A 1 252 ? -20.677 -56.442 -56.159 1.00 35.51 ? 252 ALA A CB 1 ATOM 1895 N N . HIS A 1 253 ? -21.278 -56.446 -53.127 1.00 56.74 ? 253 HIS A N 1 ATOM 1896 C CA . HIS A 1 253 ? -22.054 -57.009 -52.027 1.00 57.37 ? 253 HIS A CA 1 ATOM 1897 C C . HIS A 1 253 ? -22.610 -55.926 -51.107 1.00 51.00 ? 253 HIS A C 1 ATOM 1898 O O . HIS A 1 253 ? -23.800 -55.935 -50.792 1.00 54.16 ? 253 HIS A O 1 ATOM 1899 C CB . HIS A 1 253 ? -21.236 -58.039 -51.236 1.00 69.01 ? 253 HIS A CB 1 ATOM 1900 C CG . HIS A 1 253 ? -21.060 -59.351 -51.947 1.00 86.69 ? 253 HIS A CG 1 ATOM 1901 N ND1 . HIS A 1 253 ? -20.447 -60.441 -51.357 1.00 92.67 ? 253 HIS A ND1 1 ATOM 1902 C CD2 . HIS A 1 253 ? -21.416 -59.751 -53.191 1.00 88.12 ? 253 HIS A CD2 1 ATOM 1903 C CE1 . HIS A 1 253 ? -20.434 -61.451 -52.209 1.00 90.90 ? 253 HIS A CE1 1 ATOM 1904 N NE2 . HIS A 1 253 ? -21.017 -61.059 -53.330 1.00 89.44 ? 253 HIS A NE2 1 ATOM 1905 N N . LEU A 1 254 ? -21.751 -54.992 -50.696 1.00 44.60 ? 254 LEU A N 1 ATOM 1906 C CA . LEU A 1 254 ? -22.142 -53.885 -49.816 1.00 39.94 ? 254 LEU A CA 1 ATOM 1907 C C . LEU A 1 254 ? -23.285 -53.097 -50.420 1.00 43.96 ? 254 LEU A C 1 ATOM 1908 O O . LEU A 1 254 ? -24.224 -52.663 -49.741 1.00 53.06 ? 254 LEU A O 1 ATOM 1909 C CB . LEU A 1 254 ? -20.970 -52.931 -49.630 1.00 31.44 ? 254 LEU A CB 1 ATOM 1910 C CG . LEU A 1 254 ? -19.710 -53.463 -48.954 1.00 35.85 ? 254 LEU A CG 1 ATOM 1911 C CD1 . LEU A 1 254 ? -18.630 -52.416 -49.067 1.00 32.41 ? 254 LEU A CD1 1 ATOM 1912 C CD2 . LEU A 1 254 ? -19.966 -53.839 -47.492 1.00 31.20 ? 254 LEU A CD2 1 ATOM 1913 N N . VAL A 1 255 ? -23.182 -52.928 -51.725 1.00 41.01 ? 255 VAL A N 1 ATOM 1914 C CA . VAL A 1 255 ? -24.056 -52.056 -52.473 1.00 39.75 ? 255 VAL A CA 1 ATOM 1915 C C . VAL A 1 255 ? -25.331 -52.809 -52.897 1.00 44.68 ? 255 VAL A C 1 ATOM 1916 O O . VAL A 1 255 ? -26.288 -52.223 -53.426 1.00 44.48 ? 255 VAL A O 1 ATOM 1917 C CB . VAL A 1 255 ? -23.232 -51.389 -53.607 1.00 41.09 ? 255 VAL A CB 1 ATOM 1918 C CG1 . VAL A 1 255 ? -23.779 -51.674 -55.013 1.00 43.52 ? 255 VAL A CG1 1 ATOM 1919 C CG2 . VAL A 1 255 ? -23.056 -49.907 -53.305 1.00 36.83 ? 255 VAL A CG2 1 ATOM 1920 N N . GLY A 1 256 ? -25.348 -54.109 -52.601 1.00 43.81 ? 256 GLY A N 1 ATOM 1921 C CA . GLY A 1 256 ? -26.555 -54.911 -52.694 1.00 44.79 ? 256 GLY A CA 1 ATOM 1922 C C . GLY A 1 256 ? -26.677 -55.782 -53.925 1.00 49.38 ? 256 GLY A C 1 ATOM 1923 O O . GLY A 1 256 ? -27.787 -56.124 -54.335 1.00 57.19 ? 256 GLY A O 1 ATOM 1924 N N . CYS A 1 257 ? -25.541 -56.164 -54.501 1.00 51.44 ? 257 CYS A N 1 ATOM 1925 C CA . CYS A 1 257 ? -25.537 -56.811 -55.810 1.00 56.48 ? 257 CYS A CA 1 ATOM 1926 C C . CYS A 1 257 ? -25.184 -58.289 -55.806 1.00 62.66 ? 257 CYS A C 1 ATOM 1927 O O . CYS A 1 257 ? -24.038 -58.671 -55.512 1.00 50.09 ? 257 CYS A O 1 ATOM 1928 C CB . CYS A 1 257 ? -24.658 -56.040 -56.788 1.00 33.49 ? 257 CYS A CB 1 ATOM 1929 S SG . CYS A 1 257 ? -25.542 -54.638 -57.454 1.00 59.12 ? 257 CYS A SG 1 ATOM 1930 N N . PRO A 1 258 ? -26.186 -59.122 -56.145 1.00 78.38 ? 258 PRO A N 1 ATOM 1931 C CA . PRO A 1 258 ? -26.050 -60.575 -56.238 1.00 97.59 ? 258 PRO A CA 1 ATOM 1932 C C . PRO A 1 258 ? -25.085 -60.967 -57.370 1.00 121.21 ? 258 PRO A C 1 ATOM 1933 O O . PRO A 1 258 ? -25.200 -60.403 -58.459 1.00 122.41 ? 258 PRO A O 1 ATOM 1934 C CB . PRO A 1 258 ? -27.488 -61.039 -56.567 1.00 87.37 ? 258 PRO A CB 1 ATOM 1935 C CG . PRO A 1 258 ? -28.388 -59.888 -56.203 1.00 74.28 ? 258 PRO A CG 1 ATOM 1936 C CD . PRO A 1 258 ? -27.556 -58.675 -56.468 1.00 73.87 ? 258 PRO A CD 1 ATOM 1937 N N . PRO A 1 259 ? -24.117 -61.873 -57.098 1.00 138.05 ? 259 PRO A N 1 ATOM 1938 C CA . PRO A 1 259 ? -23.356 -62.600 -58.136 1.00 144.12 ? 259 PRO A CA 1 ATOM 1939 C C . PRO A 1 259 ? -24.094 -63.870 -58.628 1.00 151.20 ? 259 PRO A C 1 ATOM 1940 O O . PRO A 1 259 ? -25.325 -63.865 -58.681 1.00 156.69 ? 259 PRO A O 1 ATOM 1941 C CB . PRO A 1 259 ? -22.047 -62.975 -57.418 1.00 139.00 ? 259 PRO A CB 1 ATOM 1942 C CG . PRO A 1 259 ? -22.004 -62.113 -56.189 1.00 136.30 ? 259 PRO A CG 1 ATOM 1943 C CD . PRO A 1 259 ? -23.435 -61.935 -55.794 1.00 138.18 ? 259 PRO A CD 1 ATOM 1944 N N . GLY A 1 260 ? -23.369 -64.930 -58.990 1.00 148.43 ? 260 GLY A N 1 ATOM 1945 C CA . GLY A 1 260 ? -24.010 -66.196 -59.329 1.00 149.20 ? 260 GLY A CA 1 ATOM 1946 C C . GLY A 1 260 ? -23.716 -66.750 -60.715 1.00 150.15 ? 260 GLY A C 1 ATOM 1947 O O . GLY A 1 260 ? -22.554 -66.822 -61.120 1.00 142.98 ? 260 GLY A O 1 ATOM 1948 N N . GLY A 1 261 ? -24.766 -67.158 -61.436 1.00 162.02 ? 261 GLY A N 1 ATOM 1949 C CA . GLY A 1 261 ? -24.606 -67.678 -62.789 1.00 172.50 ? 261 GLY A CA 1 ATOM 1950 C C . GLY A 1 261 ? -25.782 -68.283 -63.566 1.00 183.99 ? 261 GLY A C 1 ATOM 1951 O O . GLY A 1 261 ? -26.199 -69.409 -63.286 1.00 185.86 ? 261 GLY A O 1 ATOM 1952 N N . THR A 1 262 ? -26.310 -67.525 -64.538 1.00 192.06 ? 262 THR A N 1 ATOM 1953 C CA . THR A 1 262 ? -27.145 -68.034 -65.658 1.00 199.16 ? 262 THR A CA 1 ATOM 1954 C C . THR A 1 262 ? -27.297 -66.940 -66.746 1.00 134.80 ? 262 THR A C 1 ATOM 1955 O O . THR A 1 262 ? -28.333 -66.269 -66.851 1.00 136.57 ? 262 THR A O 1 ATOM 1956 C CB . THR A 1 262 ? -28.544 -68.609 -65.228 1.00 129.23 ? 262 THR A CB 1 ATOM 1957 O OG1 . THR A 1 262 ? -28.373 -69.652 -64.260 1.00 128.01 ? 262 THR A OG1 1 ATOM 1958 C CG2 . THR A 1 262 ? -29.288 -69.191 -66.437 1.00 128.24 ? 262 THR A CG2 1 ATOM 1959 N N . GLY A 1 263 ? -26.250 -66.789 -67.556 1.00 125.46 ? 263 GLY A N 1 ATOM 1960 C CA . GLY A 1 263 ? -26.066 -65.634 -68.421 1.00 113.55 ? 263 GLY A CA 1 ATOM 1961 C C . GLY A 1 263 ? -24.728 -65.043 -68.014 1.00 106.62 ? 263 GLY A C 1 ATOM 1962 O O . GLY A 1 263 ? -23.693 -65.376 -68.592 1.00 102.95 ? 263 GLY A O 1 ATOM 1963 N N . GLY A 1 264 ? -24.759 -64.165 -67.012 1.00 104.70 ? 264 GLY A N 1 ATOM 1964 C CA . GLY A 1 264 ? -23.587 -63.849 -66.204 1.00 100.21 ? 264 GLY A CA 1 ATOM 1965 C C . GLY A 1 264 ? -23.644 -64.892 -65.103 1.00 100.85 ? 264 GLY A C 1 ATOM 1966 O O . GLY A 1 264 ? -24.596 -65.672 -65.103 1.00 103.47 ? 264 GLY A O 1 ATOM 1967 N N . ASN A 1 265 ? -22.705 -64.942 -64.155 1.00 97.19 ? 265 ASN A N 1 ATOM 1968 C CA . ASN A 1 265 ? -21.656 -63.961 -63.885 1.00 90.91 ? 265 ASN A CA 1 ATOM 1969 C C . ASN A 1 265 ? -20.492 -63.847 -64.902 1.00 88.98 ? 265 ASN A C 1 ATOM 1970 O O . ASN A 1 265 ? -20.220 -64.783 -65.679 1.00 85.56 ? 265 ASN A O 1 ATOM 1971 C CB . ASN A 1 265 ? -21.108 -64.254 -62.482 1.00 90.14 ? 265 ASN A CB 1 ATOM 1972 C CG . ASN A 1 265 ? -21.375 -63.124 -61.517 1.00 90.88 ? 265 ASN A CG 1 ATOM 1973 O OD1 . ASN A 1 265 ? -22.152 -62.217 -61.822 1.00 84.58 ? 265 ASN A OD1 1 ATOM 1974 N ND2 . ASN A 1 265 ? -20.715 -63.152 -60.359 1.00 92.71 ? 265 ASN A ND2 1 ATOM 1975 N N . ASP A 1 266 ? -19.807 -62.698 -64.901 1.00 77.85 ? 266 ASP A N 1 ATOM 1976 C CA . ASP A 1 266 ? -20.100 -61.573 -64.004 1.00 53.99 ? 266 ASP A CA 1 ATOM 1977 C C . ASP A 1 266 ? -20.914 -60.497 -64.666 1.00 49.03 ? 266 ASP A C 1 ATOM 1978 O O . ASP A 1 266 ? -20.864 -59.350 -64.275 1.00 45.35 ? 266 ASP A O 1 ATOM 1979 C CB . ASP A 1 266 ? -18.817 -60.954 -63.485 1.00 54.30 ? 266 ASP A CB 1 ATOM 1980 C CG . ASP A 1 266 ? -17.680 -61.921 -63.489 1.00 66.25 ? 266 ASP A CG 1 ATOM 1981 O OD1 . ASP A 1 266 ? -17.008 -62.032 -64.542 1.00 69.61 ? 266 ASP A OD1 1 ATOM 1982 O OD2 . ASP A 1 266 ? -17.462 -62.573 -62.442 1.00 70.09 ? 266 ASP A OD2 1 ATOM 1983 N N . THR A 1 267 ? -21.661 -60.856 -65.689 1.00 57.28 ? 267 THR A N 1 ATOM 1984 C CA . THR A 1 267 ? -22.366 -59.841 -66.434 1.00 49.38 ? 267 THR A CA 1 ATOM 1985 C C . THR A 1 267 ? -23.520 -59.322 -65.604 1.00 48.72 ? 267 THR A C 1 ATOM 1986 O O . THR A 1 267 ? -23.785 -58.126 -65.613 1.00 43.39 ? 267 THR A O 1 ATOM 1987 C CB . THR A 1 267 ? -22.850 -60.377 -67.779 1.00 44.55 ? 267 THR A CB 1 ATOM 1988 O OG1 . THR A 1 267 ? -22.015 -61.475 -68.172 1.00 44.33 ? 267 THR A OG1 1 ATOM 1989 C CG2 . THR A 1 267 ? -22.767 -59.287 -68.832 1.00 43.12 ? 267 THR A CG2 1 ATOM 1990 N N . GLU A 1 268 ? -24.178 -60.216 -64.861 1.00 57.46 ? 268 GLU A N 1 ATOM 1991 C CA . GLU A 1 268 ? -25.357 -59.847 -64.062 1.00 65.19 ? 268 GLU A CA 1 ATOM 1992 C C . GLU A 1 268 ? -24.971 -59.050 -62.809 1.00 50.54 ? 268 GLU A C 1 ATOM 1993 O O . GLU A 1 268 ? -25.773 -58.297 -62.248 1.00 40.52 ? 268 GLU A O 1 ATOM 1994 C CB . GLU A 1 268 ? -26.189 -61.084 -63.694 1.00 82.43 ? 268 GLU A CB 1 ATOM 1995 C CG . GLU A 1 268 ? -25.534 -61.992 -62.660 1.00 105.30 ? 268 GLU A CG 1 ATOM 1996 C CD . GLU A 1 268 ? -26.305 -63.284 -62.430 1.00 121.85 ? 268 GLU A CD 1 ATOM 1997 O OE1 . GLU A 1 268 ? -27.085 -63.678 -63.325 1.00 128.53 ? 268 GLU A OE1 1 ATOM 1998 O OE2 . GLU A 1 268 ? -26.126 -63.905 -61.357 1.00 124.00 ? 268 GLU A OE2 1 ATOM 1999 N N . LEU A 1 269 ? -23.732 -59.214 -62.381 1.00 41.89 ? 269 LEU A N 1 ATOM 2000 C CA . LEU A 1 269 ? -23.226 -58.418 -61.290 1.00 35.10 ? 269 LEU A CA 1 ATOM 2001 C C . LEU A 1 269 ? -23.036 -56.981 -61.754 1.00 35.30 ? 269 LEU A C 1 ATOM 2002 O O . LEU A 1 269 ? -23.611 -56.062 -61.176 1.00 35.10 ? 269 LEU A O 1 ATOM 2003 C CB . LEU A 1 269 ? -21.906 -58.998 -60.798 1.00 39.84 ? 269 LEU A CB 1 ATOM 2004 C CG . LEU A 1 269 ? -21.378 -58.413 -59.495 1.00 41.43 ? 269 LEU A CG 1 ATOM 2005 C CD1 . LEU A 1 269 ? -20.715 -59.500 -58.660 1.00 43.64 ? 269 LEU A CD1 1 ATOM 2006 C CD2 . LEU A 1 269 ? -20.433 -57.266 -59.786 1.00 35.33 ? 269 LEU A CD2 1 ATOM 2007 N N . VAL A 1 270 ? -22.231 -56.799 -62.805 1.00 39.18 ? 270 VAL A N 1 ATOM 2008 C CA . VAL A 1 270 ? -21.888 -55.471 -63.323 1.00 29.43 ? 270 VAL A CA 1 ATOM 2009 C C . VAL A 1 270 ? -23.115 -54.764 -63.855 1.00 30.33 ? 270 VAL A C 1 ATOM 2010 O O . VAL A 1 270 ? -23.197 -53.542 -63.823 1.00 29.78 ? 270 VAL A O 1 ATOM 2011 C CB . VAL A 1 270 ? -20.832 -55.530 -64.447 1.00 28.47 ? 270 VAL A CB 1 ATOM 2012 C CG1 . VAL A 1 270 ? -20.154 -54.194 -64.601 1.00 27.10 ? 270 VAL A CG1 1 ATOM 2013 C CG2 . VAL A 1 270 ? -19.799 -56.538 -64.137 1.00 28.08 ? 270 VAL A CG2 1 ATOM 2014 N N . ALA A 1 271 ? -24.065 -55.541 -64.355 1.00 31.85 ? 271 ALA A N 1 ATOM 2015 C CA . ALA A 1 271 ? -25.316 -54.976 -64.827 1.00 46.42 ? 271 ALA A CA 1 ATOM 2016 C C . ALA A 1 271 ? -26.025 -54.295 -63.668 1.00 49.32 ? 271 ALA A C 1 ATOM 2017 O O . ALA A 1 271 ? -26.378 -53.119 -63.774 1.00 49.77 ? 271 ALA A O 1 ATOM 2018 C CB . ALA A 1 271 ? -26.189 -56.046 -65.447 1.00 34.72 ? 271 ALA A CB 1 ATOM 2019 N N . CYS A 1 272 ? -26.211 -55.038 -62.569 1.00 52.03 ? 272 CYS A N 1 ATOM 2020 C CA . CYS A 1 272 ? -26.754 -54.512 -61.308 1.00 50.23 ? 272 CYS A CA 1 ATOM 2021 C C . CYS A 1 272 ? -25.949 -53.312 -60.775 1.00 43.87 ? 272 CYS A C 1 ATOM 2022 O O . CYS A 1 272 ? -26.504 -52.293 -60.375 1.00 37.00 ? 272 CYS A O 1 ATOM 2023 C CB . CYS A 1 272 ? -26.810 -55.629 -60.260 1.00 49.18 ? 272 CYS A CB 1 ATOM 2024 S SG . CYS A 1 272 ? -27.203 -55.119 -58.541 1.00 72.99 ? 272 CYS A SG 1 ATOM 2025 N N . LEU A 1 273 ? -24.632 -53.441 -60.790 1.00 31.35 ? 273 LEU A N 1 ATOM 2026 C CA . LEU A 1 273 ? -23.732 -52.364 -60.404 1.00 29.87 ? 273 LEU A CA 1 ATOM 2027 C C . LEU A 1 273 ? -23.937 -51.035 -61.170 1.00 37.66 ? 273 LEU A C 1 ATOM 2028 O O . LEU A 1 273 ? -23.588 -49.968 -60.672 1.00 44.57 ? 273 LEU A O 1 ATOM 2029 C CB . LEU A 1 273 ? -22.305 -52.863 -60.590 1.00 28.56 ? 273 LEU A CB 1 ATOM 2030 C CG . LEU A 1 273 ? -21.254 -52.552 -59.540 1.00 42.14 ? 273 LEU A CG 1 ATOM 2031 C CD1 . LEU A 1 273 ? -21.871 -52.519 -58.157 1.00 48.02 ? 273 LEU A CD1 1 ATOM 2032 C CD2 . LEU A 1 273 ? -20.186 -53.612 -59.618 1.00 26.91 ? 273 LEU A CD2 1 ATOM 2033 N N . ARG A 1 274 ? -24.490 -51.087 -62.378 1.00 34.04 ? 274 ARG A N 1 ATOM 2034 C CA . ARG A 1 274 ? -24.652 -49.869 -63.178 1.00 39.98 ? 274 ARG A CA 1 ATOM 2035 C C . ARG A 1 274 ? -25.951 -49.155 -62.864 1.00 44.57 ? 274 ARG A C 1 ATOM 2036 O O . ARG A 1 274 ? -26.147 -47.985 -63.238 1.00 46.52 ? 274 ARG A O 1 ATOM 2037 C CB . ARG A 1 274 ? -24.626 -50.181 -64.670 1.00 44.15 ? 274 ARG A CB 1 ATOM 2038 C CG . ARG A 1 274 ? -23.284 -50.588 -65.205 1.00 40.68 ? 274 ARG A CG 1 ATOM 2039 C CD . ARG A 1 274 ? -23.373 -50.776 -66.693 1.00 37.13 ? 274 ARG A CD 1 ATOM 2040 N NE . ARG A 1 274 ? -22.099 -51.217 -67.231 1.00 44.29 ? 274 ARG A NE 1 ATOM 2041 C CZ . ARG A 1 274 ? -21.876 -52.435 -67.705 1.00 54.96 ? 274 ARG A CZ 1 ATOM 2042 N NH1 . ARG A 1 274 ? -22.859 -53.337 -67.717 1.00 53.63 ? 274 ARG A NH1 1 ATOM 2043 N NH2 . ARG A 1 274 ? -20.672 -52.745 -68.173 1.00 57.35 ? 274 ARG A NH2 1 ATOM 2044 N N . THR A 1 275 ? -26.846 -49.873 -62.194 1.00 35.54 ? 275 THR A N 1 ATOM 2045 C CA . THR A 1 275 ? -28.128 -49.310 -61.813 1.00 38.37 ? 275 THR A CA 1 ATOM 2046 C C . THR A 1 275 ? -27.946 -48.386 -60.615 1.00 40.66 ? 275 THR A C 1 ATOM 2047 O O . THR A 1 275 ? -28.802 -47.536 -60.327 1.00 38.82 ? 275 THR A O 1 ATOM 2048 C CB . THR A 1 275 ? -29.142 -50.409 -61.453 1.00 41.99 ? 275 THR A CB 1 ATOM 2049 O OG1 . THR A 1 275 ? -28.785 -51.008 -60.201 1.00 43.51 ? 275 THR A OG1 1 ATOM 2050 C CG2 . THR A 1 275 ? -29.183 -51.479 -62.532 1.00 36.01 ? 275 THR A CG2 1 ATOM 2051 N N . ARG A 1 276 ? -26.819 -48.555 -59.928 1.00 39.38 ? 276 ARG A N 1 ATOM 2052 C CA . ARG A 1 276 ? -26.553 -47.820 -58.703 1.00 39.57 ? 276 ARG A CA 1 ATOM 2053 C C . ARG A 1 276 ? -26.160 -46.393 -58.995 1.00 38.44 ? 276 ARG A C 1 ATOM 2054 O O . ARG A 1 276 ? -25.447 -46.124 -59.964 1.00 32.63 ? 276 ARG A O 1 ATOM 2055 C CB . ARG A 1 276 ? -25.465 -48.511 -57.890 1.00 44.60 ? 276 ARG A CB 1 ATOM 2056 C CG . ARG A 1 276 ? -25.895 -49.871 -57.327 1.00 54.26 ? 276 ARG A CG 1 ATOM 2057 C CD . ARG A 1 276 ? -27.163 -49.747 -56.487 1.00 48.38 ? 276 ARG A CD 1 ATOM 2058 N NE . ARG A 1 276 ? -27.609 -51.019 -55.927 1.00 45.95 ? 276 ARG A NE 1 ATOM 2059 C CZ . ARG A 1 276 ? -28.444 -51.851 -56.539 1.00 55.14 ? 276 ARG A CZ 1 ATOM 2060 N NH1 . ARG A 1 276 ? -28.909 -51.554 -57.741 1.00 59.96 ? 276 ARG A NH1 1 ATOM 2061 N NH2 . ARG A 1 276 ? -28.814 -52.982 -55.955 1.00 63.72 ? 276 ARG A NH2 1 ATOM 2062 N N . PRO A 1 277 ? -26.659 -45.464 -58.175 1.00 31.66 ? 277 PRO A N 1 ATOM 2063 C CA . PRO A 1 277 ? -26.243 -44.074 -58.267 1.00 47.17 ? 277 PRO A CA 1 ATOM 2064 C C . PRO A 1 277 ? -24.773 -44.020 -58.003 1.00 40.25 ? 277 PRO A C 1 ATOM 2065 O O . PRO A 1 277 ? -24.231 -44.922 -57.379 1.00 28.95 ? 277 PRO A O 1 ATOM 2066 C CB . PRO A 1 277 ? -26.998 -43.416 -57.121 1.00 32.16 ? 277 PRO A CB 1 ATOM 2067 C CG . PRO A 1 277 ? -28.230 -44.199 -57.025 1.00 39.83 ? 277 PRO A CG 1 ATOM 2068 C CD . PRO A 1 277 ? -27.819 -45.621 -57.291 1.00 40.08 ? 277 PRO A CD 1 ATOM 2069 N N . ALA A 1 278 ? -24.130 -42.977 -58.493 1.00 38.62 ? 278 ALA A N 1 ATOM 2070 C CA . ALA A 1 278 ? -22.696 -42.866 -58.339 1.00 37.63 ? 278 ALA A CA 1 ATOM 2071 C C . ALA A 1 278 ? -22.317 -42.712 -56.865 1.00 35.12 ? 278 ALA A C 1 ATOM 2072 O O . ALA A 1 278 ? -21.355 -43.333 -56.409 1.00 32.83 ? 278 ALA A O 1 ATOM 2073 C CB . ALA A 1 278 ? -22.161 -41.717 -59.178 1.00 35.78 ? 278 ALA A CB 1 ATOM 2074 N N . GLN A 1 279 ? -23.078 -41.916 -56.114 1.00 31.81 ? 279 GLN A N 1 ATOM 2075 C CA . GLN A 1 279 ? -22.760 -41.703 -54.698 1.00 34.83 ? 279 GLN A CA 1 ATOM 2076 C C . GLN A 1 279 ? -22.774 -42.995 -53.869 1.00 39.00 ? 279 GLN A C 1 ATOM 2077 O O . GLN A 1 279 ? -21.877 -43.224 -53.065 1.00 45.78 ? 279 GLN A O 1 ATOM 2078 C CB . GLN A 1 279 ? -23.667 -40.653 -54.057 1.00 33.13 ? 279 GLN A CB 1 ATOM 2079 C CG . GLN A 1 279 ? -23.141 -40.150 -52.721 1.00 31.16 ? 279 GLN A CG 1 ATOM 2080 C CD . GLN A 1 279 ? -24.007 -39.062 -52.136 1.00 53.08 ? 279 GLN A CD 1 ATOM 2081 O OE1 . GLN A 1 279 ? -25.214 -39.240 -51.975 1.00 62.82 ? 279 GLN A OE1 1 ATOM 2082 N NE2 . GLN A 1 279 ? -23.398 -37.919 -51.822 1.00 60.35 ? 279 GLN A NE2 1 ATOM 2083 N N . VAL A 1 280 ? -23.784 -43.835 -54.073 1.00 35.61 ? 280 VAL A N 1 ATOM 2084 C CA . VAL A 1 280 ? -23.840 -45.139 -53.426 1.00 29.65 ? 280 VAL A CA 1 ATOM 2085 C C . VAL A 1 280 ? -22.552 -45.940 -53.615 1.00 43.87 ? 280 VAL A C 1 ATOM 2086 O O . VAL A 1 280 ? -22.097 -46.629 -52.704 1.00 44.44 ? 280 VAL A O 1 ATOM 2087 C CB . VAL A 1 280 ? -25.019 -45.947 -53.943 1.00 30.88 ? 280 VAL A CB 1 ATOM 2088 C CG1 . VAL A 1 280 ? -25.148 -47.229 -53.173 1.00 75.73 ? 280 VAL A CG1 1 ATOM 2089 C CG2 . VAL A 1 280 ? -26.292 -45.142 -53.804 1.00 47.31 ? 280 VAL A CG2 1 ATOM 2090 N N . LEU A 1 281 ? -21.957 -45.826 -54.798 1.00 41.75 ? 281 LEU A N 1 ATOM 2091 C CA . LEU A 1 281 ? -20.699 -46.499 -55.103 1.00 36.30 ? 281 LEU A CA 1 ATOM 2092 C C . LEU A 1 281 ? -19.505 -45.897 -54.343 1.00 37.66 ? 281 LEU A C 1 ATOM 2093 O O . LEU A 1 281 ? -18.643 -46.623 -53.839 1.00 42.32 ? 281 LEU A O 1 ATOM 2094 C CB . LEU A 1 281 ? -20.443 -46.498 -56.615 1.00 28.11 ? 281 LEU A CB 1 ATOM 2095 C CG . LEU A 1 281 ? -21.311 -47.400 -57.501 1.00 31.16 ? 281 LEU A CG 1 ATOM 2096 C CD1 . LEU A 1 281 ? -20.537 -47.785 -58.741 1.00 25.33 ? 281 LEU A CD1 1 ATOM 2097 C CD2 . LEU A 1 281 ? -21.813 -48.651 -56.768 1.00 30.54 ? 281 LEU A CD2 1 ATOM 2098 N N . VAL A 1 282 ? -19.467 -44.572 -54.257 1.00 35.32 ? 282 VAL A N 1 ATOM 2099 C CA . VAL A 1 282 ? -18.393 -43.862 -53.557 1.00 40.63 ? 282 VAL A CA 1 ATOM 2100 C C . VAL A 1 282 ? -18.518 -43.958 -52.031 1.00 48.97 ? 282 VAL A C 1 ATOM 2101 O O . VAL A 1 282 ? -17.516 -43.921 -51.315 1.00 47.78 ? 282 VAL A O 1 ATOM 2102 C CB . VAL A 1 282 ? -18.346 -42.384 -53.988 1.00 38.11 ? 282 VAL A CB 1 ATOM 2103 C CG1 . VAL A 1 282 ? -17.162 -41.666 -53.370 1.00 23.43 ? 282 VAL A CG1 1 ATOM 2104 C CG2 . VAL A 1 282 ? -18.278 -42.310 -55.487 1.00 23.63 ? 282 VAL A CG2 1 ATOM 2105 N N . ASN A 1 283 ? -19.751 -44.079 -51.541 1.00 49.96 ? 283 ASN A N 1 ATOM 2106 C CA . ASN A 1 283 ? -19.996 -44.282 -50.120 1.00 41.05 ? 283 ASN A CA 1 ATOM 2107 C C . ASN A 1 283 ? -19.234 -45.503 -49.646 1.00 38.94 ? 283 ASN A C 1 ATOM 2108 O O . ASN A 1 283 ? -18.606 -45.486 -48.590 1.00 34.11 ? 283 ASN A O 1 ATOM 2109 C CB . ASN A 1 283 ? -21.481 -44.511 -49.861 1.00 28.69 ? 283 ASN A CB 1 ATOM 2110 C CG . ASN A 1 283 ? -22.260 -43.233 -49.751 1.00 38.85 ? 283 ASN A CG 1 ATOM 2111 O OD1 . ASN A 1 283 ? -21.687 -42.159 -49.562 1.00 37.94 ? 283 ASN A OD1 1 ATOM 2112 N ND2 . ASN A 1 283 ? -23.589 -43.339 -49.839 1.00 37.03 ? 283 ASN A ND2 1 ATOM 2113 N N . HIS A 1 284 ? -19.281 -46.560 -50.455 1.00 37.76 ? 284 HIS A N 1 ATOM 2114 C CA . HIS A 1 284 ? -18.774 -47.861 -50.042 1.00 34.85 ? 284 HIS A CA 1 ATOM 2115 C C . HIS A 1 284 ? -17.348 -48.145 -50.505 1.00 33.62 ? 284 HIS A C 1 ATOM 2116 O O . HIS A 1 284 ? -16.856 -49.261 -50.341 1.00 25.09 ? 284 HIS A O 1 ATOM 2117 C CB . HIS A 1 284 ? -19.737 -48.966 -50.484 1.00 28.29 ? 284 HIS A CB 1 ATOM 2118 C CG . HIS A 1 284 ? -21.074 -48.889 -49.813 1.00 35.83 ? 284 HIS A CG 1 ATOM 2119 N ND1 . HIS A 1 284 ? -21.961 -47.859 -50.035 1.00 40.86 ? 284 HIS A ND1 1 ATOM 2120 C CD2 . HIS A 1 284 ? -21.665 -49.700 -48.902 1.00 42.47 ? 284 HIS A CD2 1 ATOM 2121 C CE1 . HIS A 1 284 ? -23.046 -48.042 -49.301 1.00 42.14 ? 284 HIS A CE1 1 ATOM 2122 N NE2 . HIS A 1 284 ? -22.893 -49.155 -48.605 1.00 42.08 ? 284 HIS A NE2 1 ATOM 2123 N N . GLU A 1 285 ? -16.682 -47.121 -51.038 1.00 29.48 ? 285 GLU A N 1 ATOM 2124 C CA . GLU A 1 285 ? -15.357 -47.275 -51.642 1.00 31.14 ? 285 GLU A CA 1 ATOM 2125 C C . GLU A 1 285 ? -14.292 -47.782 -50.683 1.00 27.91 ? 285 GLU A C 1 ATOM 2126 O O . GLU A 1 285 ? -13.622 -48.777 -50.971 1.00 22.30 ? 285 GLU A O 1 ATOM 2127 C CB . GLU A 1 285 ? -14.885 -45.968 -52.291 1.00 38.73 ? 285 GLU A CB 1 ATOM 2128 C CG . GLU A 1 285 ? -13.443 -46.025 -52.800 1.00 44.29 ? 285 GLU A CG 1 ATOM 2129 C CD . GLU A 1 285 ? -13.043 -44.800 -53.613 1.00 47.42 ? 285 GLU A CD 1 ATOM 2130 O OE1 . GLU A 1 285 ? -13.886 -43.892 -53.782 1.00 53.38 ? 285 GLU A OE1 1 ATOM 2131 O OE2 . GLU A 1 285 ? -11.884 -44.747 -54.088 1.00 39.08 ? 285 GLU A OE2 1 ATOM 2132 N N . TRP A 1 286 ? -14.136 -47.103 -49.548 1.00 29.17 ? 286 TRP A N 1 ATOM 2133 C CA . TRP A 1 286 ? -13.046 -47.412 -48.612 1.00 37.01 ? 286 TRP A CA 1 ATOM 2134 C C . TRP A 1 286 ? -13.245 -48.665 -47.742 1.00 41.66 ? 286 TRP A C 1 ATOM 2135 O O . TRP A 1 286 ? -12.302 -49.132 -47.094 1.00 36.19 ? 286 TRP A O 1 ATOM 2136 C CB . TRP A 1 286 ? -12.771 -46.235 -47.701 1.00 22.98 ? 286 TRP A CB 1 ATOM 2137 C CG . TRP A 1 286 ? -12.379 -44.999 -48.376 1.00 22.26 ? 286 TRP A CG 1 ATOM 2138 C CD1 . TRP A 1 286 ? -13.182 -43.938 -48.665 1.00 35.21 ? 286 TRP A CD1 1 ATOM 2139 C CD2 . TRP A 1 286 ? -11.067 -44.642 -48.806 1.00 30.07 ? 286 TRP A CD2 1 ATOM 2140 N NE1 . TRP A 1 286 ? -12.451 -42.939 -49.260 1.00 32.27 ? 286 TRP A NE1 1 ATOM 2141 C CE2 . TRP A 1 286 ? -11.149 -43.348 -49.360 1.00 30.69 ? 286 TRP A CE2 1 ATOM 2142 C CE3 . TRP A 1 286 ? -9.834 -45.288 -48.780 1.00 20.68 ? 286 TRP A CE3 1 ATOM 2143 C CZ2 . TRP A 1 286 ? -10.043 -42.692 -49.888 1.00 20.24 ? 286 TRP A CZ2 1 ATOM 2144 C CZ3 . TRP A 1 286 ? -8.739 -44.637 -49.306 1.00 23.58 ? 286 TRP A CZ3 1 ATOM 2145 C CH2 . TRP A 1 286 ? -8.852 -43.351 -49.856 1.00 23.59 ? 286 TRP A CH2 1 ATOM 2146 N N . HIS A 1 287 ? -14.462 -49.200 -47.719 1.00 24.66 ? 287 HIS A N 1 ATOM 2147 C CA . HIS A 1 287 ? -14.724 -50.439 -47.010 1.00 25.65 ? 287 HIS A CA 1 ATOM 2148 C C . HIS A 1 287 ? -13.926 -51.608 -47.559 1.00 25.18 ? 287 HIS A C 1 ATOM 2149 O O . HIS A 1 287 ? -13.710 -52.600 -46.872 1.00 47.65 ? 287 HIS A O 1 ATOM 2150 C CB . HIS A 1 287 ? -16.186 -50.810 -47.132 1.00 26.80 ? 287 HIS A CB 1 ATOM 2151 C CG . HIS A 1 287 ? -17.126 -49.787 -46.586 1.00 40.99 ? 287 HIS A CG 1 ATOM 2152 N ND1 . HIS A 1 287 ? -16.925 -48.430 -46.734 1.00 38.85 ? 287 HIS A ND1 1 ATOM 2153 C CD2 . HIS A 1 287 ? -18.296 -49.921 -45.917 1.00 41.74 ? 287 HIS A CD2 1 ATOM 2154 C CE1 . HIS A 1 287 ? -17.923 -47.777 -46.169 1.00 45.23 ? 287 HIS A CE1 1 ATOM 2155 N NE2 . HIS A 1 287 ? -18.770 -48.659 -45.666 1.00 44.04 ? 287 HIS A NE2 1 ATOM 2156 N N . VAL A 1 288 ? -13.513 -51.504 -48.813 1.00 30.18 ? 288 VAL A N 1 ATOM 2157 C CA . VAL A 1 288 ? -13.006 -52.664 -49.533 1.00 32.49 ? 288 VAL A CA 1 ATOM 2158 C C . VAL A 1 288 ? -11.509 -52.809 -49.371 1.00 32.64 ? 288 VAL A C 1 ATOM 2159 O O . VAL A 1 288 ? -10.940 -53.841 -49.741 1.00 37.15 ? 288 VAL A O 1 ATOM 2160 C CB . VAL A 1 288 ? -13.371 -52.622 -51.028 1.00 35.46 ? 288 VAL A CB 1 ATOM 2161 C CG1 . VAL A 1 288 ? -14.848 -52.276 -51.201 1.00 24.21 ? 288 VAL A CG1 1 ATOM 2162 C CG2 . VAL A 1 288 ? -12.488 -51.637 -51.754 1.00 22.13 ? 288 VAL A CG2 1 ATOM 2163 N N . LEU A 1 289 ? -10.882 -51.777 -48.811 1.00 31.43 ? 289 LEU A N 1 ATOM 2164 C CA . LEU A 1 289 ? -9.471 -51.832 -48.456 1.00 39.34 ? 289 LEU A CA 1 ATOM 2165 C C . LEU A 1 289 ? -9.278 -52.919 -47.416 1.00 55.75 ? 289 LEU A C 1 ATOM 2166 O O . LEU A 1 289 ? -9.927 -52.899 -46.368 1.00 65.92 ? 289 LEU A O 1 ATOM 2167 C CB . LEU A 1 289 ? -9.014 -50.502 -47.875 1.00 34.92 ? 289 LEU A CB 1 ATOM 2168 C CG . LEU A 1 289 ? -8.302 -49.526 -48.792 1.00 32.77 ? 289 LEU A CG 1 ATOM 2169 C CD1 . LEU A 1 289 ? -8.068 -48.220 -48.062 1.00 20.65 ? 289 LEU A CD1 1 ATOM 2170 C CD2 . LEU A 1 289 ? -7.007 -50.140 -49.231 1.00 34.87 ? 289 LEU A CD2 1 ATOM 2171 N N . PRO A 1 290 ? -8.392 -53.877 -47.703 1.00 58.44 ? 290 PRO A N 1 ATOM 2172 C CA . PRO A 1 290 ? -8.160 -54.998 -46.796 1.00 61.43 ? 290 PRO A CA 1 ATOM 2173 C C . PRO A 1 290 ? -7.711 -54.575 -45.403 1.00 77.90 ? 290 PRO A C 1 ATOM 2174 O O . PRO A 1 290 ? -8.479 -54.682 -44.441 1.00 88.88 ? 290 PRO A O 1 ATOM 2175 C CB . PRO A 1 290 ? -7.047 -55.788 -47.491 1.00 58.21 ? 290 PRO A CB 1 ATOM 2176 C CG . PRO A 1 290 ? -6.486 -54.873 -48.516 1.00 61.99 ? 290 PRO A CG 1 ATOM 2177 C CD . PRO A 1 290 ? -7.606 -54.001 -48.937 1.00 63.14 ? 290 PRO A CD 1 ATOM 2178 N N . GLN A 1 291 ? -6.487 -54.079 -45.295 1.00 79.93 ? 291 GLN A N 1 ATOM 2179 C CA . GLN A 1 291 ? -5.814 -54.051 -43.999 1.00 85.64 ? 291 GLN A CA 1 ATOM 2180 C C . GLN A 1 291 ? -5.953 -52.751 -43.197 1.00 69.99 ? 291 GLN A C 1 ATOM 2181 O O . GLN A 1 291 ? -6.824 -51.913 -43.465 1.00 64.98 ? 291 GLN A O 1 ATOM 2182 C CB . GLN A 1 291 ? -4.335 -54.422 -44.201 1.00 92.24 ? 291 GLN A CB 1 ATOM 2183 C CG . GLN A 1 291 ? -3.820 -54.079 -45.607 1.00 86.30 ? 291 GLN A CG 1 ATOM 2184 C CD . GLN A 1 291 ? -2.990 -55.176 -46.252 1.00 82.03 ? 291 GLN A CD 1 ATOM 2185 O OE1 . GLN A 1 291 ? -3.047 -56.341 -45.848 1.00 81.36 ? 291 GLN A OE1 1 ATOM 2186 N NE2 . GLN A 1 291 ? -2.213 -54.803 -47.268 1.00 76.52 ? 291 GLN A NE2 1 ATOM 2187 N N . GLU A 1 292 ? -5.116 -52.625 -42.176 1.00 55.19 ? 292 GLU A N 1 ATOM 2188 C CA . GLU A 1 292 ? -4.834 -51.322 -41.619 1.00 53.17 ? 292 GLU A CA 1 ATOM 2189 C C . GLU A 1 292 ? -3.609 -50.823 -42.353 1.00 49.11 ? 292 GLU A C 1 ATOM 2190 O O . GLU A 1 292 ? -2.623 -51.545 -42.503 1.00 51.06 ? 292 GLU A O 1 ATOM 2191 C CB . GLU A 1 292 ? -4.535 -51.415 -40.139 1.00 63.26 ? 292 GLU A CB 1 ATOM 2192 C CG . GLU A 1 292 ? -5.610 -52.118 -39.355 1.00 79.92 ? 292 GLU A CG 1 ATOM 2193 C CD . GLU A 1 292 ? -5.570 -51.741 -37.892 1.00 89.97 ? 292 GLU A CD 1 ATOM 2194 O OE1 . GLU A 1 292 ? -4.679 -50.950 -37.504 1.00 94.15 ? 292 GLU A OE1 1 ATOM 2195 O OE2 . GLU A 1 292 ? -6.430 -52.227 -37.134 1.00 88.99 ? 292 GLU A OE2 1 ATOM 2196 N N . SER A 1 293 ? -3.669 -49.590 -42.820 1.00 41.51 ? 293 SER A N 1 ATOM 2197 C CA . SER A 1 293 ? -2.602 -49.061 -43.631 1.00 37.60 ? 293 SER A CA 1 ATOM 2198 C C . SER A 1 293 ? -2.757 -47.568 -43.759 1.00 37.52 ? 293 SER A C 1 ATOM 2199 O O . SER A 1 293 ? -3.798 -47.006 -43.473 1.00 40.77 ? 293 SER A O 1 ATOM 2200 C CB . SER A 1 293 ? -2.696 -49.649 -45.035 1.00 52.91 ? 293 SER A CB 1 ATOM 2201 O OG . SER A 1 293 ? -3.802 -49.093 -45.744 1.00 59.15 ? 293 SER A OG 1 ATOM 2202 N N . VAL A 1 294 ? -1.709 -46.929 -44.230 1.00 38.15 ? 294 VAL A N 1 ATOM 2203 C CA . VAL A 1 294 ? -1.791 -45.561 -44.687 1.00 39.71 ? 294 VAL A CA 1 ATOM 2204 C C . VAL A 1 294 ? -1.121 -45.620 -46.073 1.00 48.98 ? 294 VAL A C 1 ATOM 2205 O O . VAL A 1 294 ? -0.303 -46.520 -46.297 1.00 59.48 ? 294 VAL A O 1 ATOM 2206 C CB . VAL A 1 294 ? -1.087 -44.642 -43.662 1.00 33.69 ? 294 VAL A CB 1 ATOM 2207 C CG1 . VAL A 1 294 ? 0.077 -43.912 -44.278 1.00 38.68 ? 294 VAL A CG1 1 ATOM 2208 C CG2 . VAL A 1 294 ? -2.091 -43.678 -43.002 1.00 25.38 ? 294 VAL A CG2 1 ATOM 2209 N N . PHE A 1 295 ? -1.491 -44.735 -47.008 1.00 43.53 ? 295 PHE A N 1 ATOM 2210 C CA . PHE A 1 295 ? -0.927 -44.752 -48.378 1.00 34.81 ? 295 PHE A CA 1 ATOM 2211 C C . PHE A 1 295 ? -1.334 -46.018 -49.146 1.00 36.44 ? 295 PHE A C 1 ATOM 2212 O O . PHE A 1 295 ? -0.496 -46.670 -49.782 1.00 31.27 ? 295 PHE A O 1 ATOM 2213 C CB . PHE A 1 295 ? 0.608 -44.634 -48.340 1.00 38.45 ? 295 PHE A CB 1 ATOM 2214 C CG . PHE A 1 295 ? 1.220 -43.947 -49.538 1.00 39.97 ? 295 PHE A CG 1 ATOM 2215 C CD1 . PHE A 1 295 ? 0.734 -44.162 -50.826 1.00 45.37 ? 295 PHE A CD1 1 ATOM 2216 C CD2 . PHE A 1 295 ? 2.296 -43.088 -49.370 1.00 28.48 ? 295 PHE A CD2 1 ATOM 2217 C CE1 . PHE A 1 295 ? 1.305 -43.530 -51.915 1.00 37.68 ? 295 PHE A CE1 1 ATOM 2218 C CE2 . PHE A 1 295 ? 2.865 -42.449 -50.455 1.00 24.93 ? 295 PHE A CE2 1 ATOM 2219 C CZ . PHE A 1 295 ? 2.373 -42.671 -51.726 1.00 32.72 ? 295 PHE A CZ 1 ATOM 2220 N N . ARG A 1 296 ? -2.616 -46.372 -49.048 1.00 43.31 ? 296 ARG A N 1 ATOM 2221 C CA . ARG A 1 296 ? -3.221 -47.451 -49.836 1.00 32.19 ? 296 ARG A CA 1 ATOM 2222 C C . ARG A 1 296 ? -4.603 -46.994 -50.296 1.00 39.43 ? 296 ARG A C 1 ATOM 2223 O O . ARG A 1 296 ? -5.281 -46.206 -49.606 1.00 36.83 ? 296 ARG A O 1 ATOM 2224 C CB . ARG A 1 296 ? -3.344 -48.736 -49.028 1.00 20.81 ? 296 ARG A CB 1 ATOM 2225 C CG . ARG A 1 296 ? -2.020 -49.367 -48.640 1.00 22.22 ? 296 ARG A CG 1 ATOM 2226 C CD . ARG A 1 296 ? -1.190 -49.716 -49.854 1.00 22.72 ? 296 ARG A CD 1 ATOM 2227 N NE . ARG A 1 296 ? 0.229 -49.453 -49.635 1.00 24.18 ? 296 ARG A NE 1 ATOM 2228 C CZ . ARG A 1 296 ? 1.134 -50.400 -49.425 1.00 30.79 ? 296 ARG A CZ 1 ATOM 2229 N NH1 . ARG A 1 296 ? 0.767 -51.674 -49.415 1.00 18.85 ? 296 ARG A NH1 1 ATOM 2230 N NH2 . ARG A 1 296 ? 2.402 -50.070 -49.237 1.00 18.44 ? 296 ARG A NH2 1 ATOM 2231 N N . PHE A 1 297 ? -5.009 -47.486 -51.467 1.00 39.24 ? 297 PHE A N 1 ATOM 2232 C CA . PHE A 1 297 ? -6.189 -46.982 -52.167 1.00 31.31 ? 297 PHE A CA 1 ATOM 2233 C C . PHE A 1 297 ? -6.978 -48.151 -52.720 1.00 33.70 ? 297 PHE A C 1 ATOM 2234 O O . PHE A 1 297 ? -6.388 -49.137 -53.144 1.00 32.90 ? 297 PHE A O 1 ATOM 2235 C CB . PHE A 1 297 ? -5.760 -46.083 -53.319 1.00 20.29 ? 297 PHE A CB 1 ATOM 2236 C CG . PHE A 1 297 ? -4.615 -45.187 -52.987 1.00 25.00 ? 297 PHE A CG 1 ATOM 2237 C CD1 . PHE A 1 297 ? -4.825 -43.997 -52.342 1.00 17.18 ? 297 PHE A CD1 1 ATOM 2238 C CD2 . PHE A 1 297 ? -3.323 -45.537 -53.314 1.00 38.90 ? 297 PHE A CD2 1 ATOM 2239 C CE1 . PHE A 1 297 ? -3.770 -43.160 -52.025 1.00 29.04 ? 297 PHE A CE1 1 ATOM 2240 C CE2 . PHE A 1 297 ? -2.257 -44.701 -52.996 1.00 38.51 ? 297 PHE A CE2 1 ATOM 2241 C CZ . PHE A 1 297 ? -2.488 -43.511 -52.353 1.00 26.46 ? 297 PHE A CZ 1 ATOM 2242 N N . SER A 1 298 ? -8.301 -48.032 -52.737 1.00 18.54 ? 298 SER A N 1 ATOM 2243 C CA . SER A 1 298 ? -9.171 -49.158 -53.067 1.00 28.06 ? 298 SER A CA 1 ATOM 2244 C C . SER A 1 298 ? -9.066 -49.664 -54.510 1.00 26.13 ? 298 SER A C 1 ATOM 2245 O O . SER A 1 298 ? -8.916 -50.870 -54.769 1.00 28.58 ? 298 SER A O 1 ATOM 2246 C CB . SER A 1 298 ? -10.624 -48.789 -52.785 1.00 29.03 ? 298 SER A CB 1 ATOM 2247 O OG . SER A 1 298 ? -10.893 -48.708 -51.399 1.00 27.96 ? 298 SER A OG 1 ATOM 2248 N N . PHE A 1 299 ? -9.187 -48.743 -55.456 1.00 25.04 ? 299 PHE A N 1 ATOM 2249 C CA . PHE A 1 299 ? -9.213 -49.121 -56.855 1.00 24.28 ? 299 PHE A CA 1 ATOM 2250 C C . PHE A 1 299 ? -8.049 -48.471 -57.583 1.00 24.49 ? 299 PHE A C 1 ATOM 2251 O O . PHE A 1 299 ? -7.966 -47.250 -57.705 1.00 20.96 ? 299 PHE A O 1 ATOM 2252 C CB . PHE A 1 299 ? -10.579 -48.800 -57.462 1.00 24.55 ? 299 PHE A CB 1 ATOM 2253 C CG . PHE A 1 299 ? -11.717 -49.539 -56.787 1.00 29.10 ? 299 PHE A CG 1 ATOM 2254 C CD1 . PHE A 1 299 ? -11.954 -50.877 -57.064 1.00 32.69 ? 299 PHE A CD1 1 ATOM 2255 C CD2 . PHE A 1 299 ? -12.521 -48.909 -55.847 1.00 27.40 ? 299 PHE A CD2 1 ATOM 2256 C CE1 . PHE A 1 299 ? -12.985 -51.568 -56.433 1.00 32.34 ? 299 PHE A CE1 1 ATOM 2257 C CE2 . PHE A 1 299 ? -13.550 -49.596 -55.216 1.00 27.49 ? 299 PHE A CE2 1 ATOM 2258 C CZ . PHE A 1 299 ? -13.775 -50.928 -55.511 1.00 29.26 ? 299 PHE A CZ 1 ATOM 2259 N N . VAL A 1 300 ? -7.117 -49.321 -58.001 1.00 25.42 ? 300 VAL A N 1 ATOM 2260 C CA . VAL A 1 300 ? -5.901 -48.916 -58.684 1.00 20.41 ? 300 VAL A CA 1 ATOM 2261 C C . VAL A 1 300 ? -5.751 -49.871 -59.870 1.00 21.43 ? 300 VAL A C 1 ATOM 2262 O O . VAL A 1 300 ? -6.458 -50.880 -59.931 1.00 22.36 ? 300 VAL A O 1 ATOM 2263 C CB . VAL A 1 300 ? -4.680 -49.042 -57.752 1.00 19.24 ? 300 VAL A CB 1 ATOM 2264 C CG1 . VAL A 1 300 ? -4.815 -48.100 -56.565 1.00 17.93 ? 300 VAL A CG1 1 ATOM 2265 C CG2 . VAL A 1 300 ? -4.496 -50.489 -57.308 1.00 16.58 ? 300 VAL A CG2 1 ATOM 2266 N N . PRO A 1 301 ? -4.854 -49.552 -60.822 1.00 17.96 ? 301 PRO A N 1 ATOM 2267 C CA . PRO A 1 301 ? -4.609 -50.435 -61.964 1.00 16.19 ? 301 PRO A CA 1 ATOM 2268 C C . PRO A 1 301 ? -4.359 -51.897 -61.590 1.00 27.37 ? 301 PRO A C 1 ATOM 2269 O O . PRO A 1 301 ? -3.692 -52.171 -60.599 1.00 23.57 ? 301 PRO A O 1 ATOM 2270 C CB . PRO A 1 301 ? -3.337 -49.846 -62.572 1.00 27.88 ? 301 PRO A CB 1 ATOM 2271 C CG . PRO A 1 301 ? -3.413 -48.400 -62.270 1.00 22.95 ? 301 PRO A CG 1 ATOM 2272 C CD . PRO A 1 301 ? -4.098 -48.287 -60.939 1.00 16.73 ? 301 PRO A CD 1 ATOM 2273 N N . VAL A 1 302 ? -4.880 -52.820 -62.398 1.00 33.04 ? 302 VAL A N 1 ATOM 2274 C CA . VAL A 1 302 ? -4.711 -54.262 -62.187 1.00 30.22 ? 302 VAL A CA 1 ATOM 2275 C C . VAL A 1 302 ? -3.718 -54.857 -63.171 1.00 33.40 ? 302 VAL A C 1 ATOM 2276 O O . VAL A 1 302 ? -3.711 -54.487 -64.342 1.00 36.40 ? 302 VAL A O 1 ATOM 2277 C CB . VAL A 1 302 ? -6.027 -55.005 -62.441 1.00 27.97 ? 302 VAL A CB 1 ATOM 2278 C CG1 . VAL A 1 302 ? -5.911 -56.455 -62.040 1.00 19.21 ? 302 VAL A CG1 1 ATOM 2279 C CG2 . VAL A 1 302 ? -7.132 -54.354 -61.681 1.00 39.46 ? 302 VAL A CG2 1 ATOM 2280 N N . VAL A 1 303 ? -2.893 -55.791 -62.710 1.00 27.54 ? 303 VAL A N 1 ATOM 2281 C CA . VAL A 1 303 ? -2.082 -56.574 -63.631 1.00 25.93 ? 303 VAL A CA 1 ATOM 2282 C C . VAL A 1 303 ? -2.915 -57.714 -64.233 1.00 40.10 ? 303 VAL A C 1 ATOM 2283 O O . VAL A 1 303 ? -3.044 -58.794 -63.646 1.00 44.33 ? 303 VAL A O 1 ATOM 2284 C CB . VAL A 1 303 ? -0.831 -57.109 -62.958 1.00 19.87 ? 303 VAL A CB 1 ATOM 2285 C CG1 . VAL A 1 303 ? -0.009 -57.932 -63.946 1.00 25.74 ? 303 VAL A CG1 1 ATOM 2286 C CG2 . VAL A 1 303 ? -0.011 -55.947 -62.416 1.00 22.28 ? 303 VAL A CG2 1 ATOM 2287 N N . ASP A 1 304 ? -3.470 -57.454 -65.415 1.00 42.09 ? 304 ASP A N 1 ATOM 2288 C CA . ASP A 1 304 ? -4.505 -58.290 -66.008 1.00 39.69 ? 304 ASP A CA 1 ATOM 2289 C C . ASP A 1 304 ? -3.965 -59.078 -67.187 1.00 48.21 ? 304 ASP A C 1 ATOM 2290 O O . ASP A 1 304 ? -4.655 -59.934 -67.741 1.00 54.80 ? 304 ASP A O 1 ATOM 2291 C CB . ASP A 1 304 ? -5.645 -57.394 -66.489 1.00 39.38 ? 304 ASP A CB 1 ATOM 2292 C CG . ASP A 1 304 ? -5.137 -56.169 -67.260 1.00 49.58 ? 304 ASP A CG 1 ATOM 2293 O OD1 . ASP A 1 304 ? -3.900 -55.926 -67.262 1.00 44.71 ? 304 ASP A OD1 1 ATOM 2294 O OD2 . ASP A 1 304 ? -5.968 -55.443 -67.856 1.00 53.54 ? 304 ASP A OD2 1 ATOM 2295 N N . GLY A 1 305 ? -2.733 -58.781 -67.586 1.00 44.25 ? 305 GLY A N 1 ATOM 2296 C CA . GLY A 1 305 ? -2.173 -59.393 -68.775 1.00 37.03 ? 305 GLY A CA 1 ATOM 2297 C C . GLY A 1 305 ? -2.440 -58.538 -69.998 1.00 35.49 ? 305 GLY A C 1 ATOM 2298 O O . GLY A 1 305 ? -1.719 -58.612 -70.987 1.00 47.46 ? 305 GLY A O 1 ATOM 2299 N N . ASP A 1 306 ? -3.477 -57.715 -69.913 1.00 27.62 ? 306 ASP A N 1 ATOM 2300 C CA . ASP A 1 306 ? -3.885 -56.823 -70.987 1.00 32.73 ? 306 ASP A CA 1 ATOM 2301 C C . ASP A 1 306 ? -3.011 -55.559 -71.030 1.00 38.27 ? 306 ASP A C 1 ATOM 2302 O O . ASP A 1 306 ? -1.961 -55.549 -71.691 1.00 31.07 ? 306 ASP A O 1 ATOM 2303 C CB . ASP A 1 306 ? -5.367 -56.478 -70.804 1.00 42.19 ? 306 ASP A CB 1 ATOM 2304 C CG . ASP A 1 306 ? -5.983 -55.815 -72.017 1.00 48.88 ? 306 ASP A CG 1 ATOM 2305 O OD1 . ASP A 1 306 ? -5.363 -55.822 -73.106 1.00 49.79 ? 306 ASP A OD1 1 ATOM 2306 O OD2 . ASP A 1 306 ? -7.110 -55.293 -71.867 1.00 53.58 ? 306 ASP A OD2 1 ATOM 2307 N N . PHE A 1 307 ? -3.440 -54.502 -70.334 1.00 44.81 ? 307 PHE A N 1 ATOM 2308 C CA . PHE A 1 307 ? -2.678 -53.256 -70.320 1.00 37.86 ? 307 PHE A CA 1 ATOM 2309 C C . PHE A 1 307 ? -1.254 -53.552 -69.894 1.00 26.63 ? 307 PHE A C 1 ATOM 2310 O O . PHE A 1 307 ? -0.307 -53.235 -70.605 1.00 24.88 ? 307 PHE A O 1 ATOM 2311 C CB . PHE A 1 307 ? -3.297 -52.203 -69.399 1.00 17.63 ? 307 PHE A CB 1 ATOM 2312 C CG . PHE A 1 307 ? -2.720 -50.823 -69.597 1.00 30.81 ? 307 PHE A CG 1 ATOM 2313 C CD1 . PHE A 1 307 ? -1.425 -50.531 -69.226 1.00 16.78 ? 307 PHE A CD1 1 ATOM 2314 C CD2 . PHE A 1 307 ? -3.474 -49.813 -70.173 1.00 29.20 ? 307 PHE A CD2 1 ATOM 2315 C CE1 . PHE A 1 307 ? -0.897 -49.253 -69.408 1.00 35.00 ? 307 PHE A CE1 1 ATOM 2316 C CE2 . PHE A 1 307 ? -2.947 -48.528 -70.366 1.00 20.26 ? 307 PHE A CE2 1 ATOM 2317 C CZ . PHE A 1 307 ? -1.658 -48.257 -69.985 1.00 25.10 ? 307 PHE A CZ 1 ATOM 2318 N N . LEU A 1 308 ? -1.112 -54.180 -68.735 1.00 26.96 ? 308 LEU A N 1 ATOM 2319 C CA . LEU A 1 308 ? 0.193 -54.622 -68.268 1.00 30.32 ? 308 LEU A CA 1 ATOM 2320 C C . LEU A 1 308 ? 0.399 -56.098 -68.585 1.00 32.15 ? 308 LEU A C 1 ATOM 2321 O O . LEU A 1 308 ? -0.383 -56.953 -68.176 1.00 19.16 ? 308 LEU A O 1 ATOM 2322 C CB . LEU A 1 308 ? 0.360 -54.329 -66.776 1.00 27.83 ? 308 LEU A CB 1 ATOM 2323 C CG . LEU A 1 308 ? 0.416 -52.819 -66.568 1.00 28.67 ? 308 LEU A CG 1 ATOM 2324 C CD1 . LEU A 1 308 ? 0.479 -52.419 -65.100 1.00 20.82 ? 308 LEU A CD1 1 ATOM 2325 C CD2 . LEU A 1 308 ? 1.599 -52.267 -67.351 1.00 37.12 ? 308 LEU A CD2 1 ATOM 2326 N N . SER A 1 309 ? 1.450 -56.380 -69.342 1.00 31.40 ? 309 SER A N 1 ATOM 2327 C CA . SER A 1 309 ? 1.748 -57.739 -69.771 1.00 31.74 ? 309 SER A CA 1 ATOM 2328 C C . SER A 1 309 ? 2.065 -58.614 -68.566 1.00 33.25 ? 309 SER A C 1 ATOM 2329 O O . SER A 1 309 ? 1.567 -59.734 -68.454 1.00 33.39 ? 309 SER A O 1 ATOM 2330 C CB . SER A 1 309 ? 2.920 -57.736 -70.770 1.00 27.24 ? 309 SER A CB 1 ATOM 2331 O OG . SER A 1 309 ? 3.594 -58.989 -70.814 1.00 23.64 ? 309 SER A OG 1 ATOM 2332 N N . ASP A 1 310 ? 2.915 -58.092 -67.684 1.00 28.19 ? 310 ASP A N 1 ATOM 2333 C CA . ASP A 1 310 ? 3.288 -58.744 -66.438 1.00 22.63 ? 310 ASP A CA 1 ATOM 2334 C C . ASP A 1 310 ? 3.306 -57.631 -65.394 1.00 31.71 ? 310 ASP A C 1 ATOM 2335 O O . ASP A 1 310 ? 2.892 -56.501 -65.672 1.00 34.60 ? 310 ASP A O 1 ATOM 2336 C CB . ASP A 1 310 ? 4.656 -59.429 -66.568 1.00 28.69 ? 310 ASP A CB 1 ATOM 2337 C CG . ASP A 1 310 ? 4.947 -60.416 -65.429 1.00 53.44 ? 310 ASP A CG 1 ATOM 2338 O OD1 . ASP A 1 310 ? 4.067 -60.631 -64.564 1.00 63.02 ? 310 ASP A OD1 1 ATOM 2339 O OD2 . ASP A 1 310 ? 6.060 -60.996 -65.399 1.00 57.65 ? 310 ASP A OD2 1 ATOM 2340 N N . THR A 1 311 ? 3.775 -57.946 -64.195 1.00 33.83 ? 311 THR A N 1 ATOM 2341 C CA . THR A 1 311 ? 3.841 -56.985 -63.109 1.00 28.49 ? 311 THR A CA 1 ATOM 2342 C C . THR A 1 311 ? 4.877 -55.915 -63.446 1.00 22.32 ? 311 THR A C 1 ATOM 2343 O O . THR A 1 311 ? 5.918 -56.230 -64.009 1.00 18.37 ? 311 THR A O 1 ATOM 2344 C CB . THR A 1 311 ? 4.242 -57.701 -61.829 1.00 34.34 ? 311 THR A CB 1 ATOM 2345 O OG1 . THR A 1 311 ? 5.660 -57.892 -61.818 1.00 37.83 ? 311 THR A OG1 1 ATOM 2346 C CG2 . THR A 1 311 ? 3.567 -59.069 -61.767 1.00 40.28 ? 311 THR A CG2 1 ATOM 2347 N N . PRO A 1 312 ? 4.581 -54.644 -63.125 1.00 21.28 ? 312 PRO A N 1 ATOM 2348 C CA . PRO A 1 312 ? 5.470 -53.526 -63.454 1.00 23.35 ? 312 PRO A CA 1 ATOM 2349 C C . PRO A 1 312 ? 6.946 -53.792 -63.172 1.00 24.97 ? 312 PRO A C 1 ATOM 2350 O O . PRO A 1 312 ? 7.789 -53.470 -64.011 1.00 21.16 ? 312 PRO A O 1 ATOM 2351 C CB . PRO A 1 312 ? 4.932 -52.398 -62.573 1.00 16.38 ? 312 PRO A CB 1 ATOM 2352 C CG . PRO A 1 312 ? 3.474 -52.645 -62.566 1.00 16.28 ? 312 PRO A CG 1 ATOM 2353 C CD . PRO A 1 312 ? 3.314 -54.164 -62.546 1.00 31.08 ? 312 PRO A CD 1 ATOM 2354 N N . GLU A 1 313 ? 7.254 -54.387 -62.025 1.00 30.47 ? 313 GLU A N 1 ATOM 2355 C CA . GLU A 1 313 ? 8.640 -54.687 -61.683 1.00 35.18 ? 313 GLU A CA 1 ATOM 2356 C C . GLU A 1 313 ? 9.244 -55.671 -62.688 1.00 30.50 ? 313 GLU A C 1 ATOM 2357 O O . GLU A 1 313 ? 10.404 -55.557 -63.072 1.00 31.92 ? 313 GLU A O 1 ATOM 2358 C CB . GLU A 1 313 ? 8.713 -55.254 -60.271 1.00 46.84 ? 313 GLU A CB 1 ATOM 2359 C CG . GLU A 1 313 ? 10.107 -55.639 -59.818 1.00 60.77 ? 313 GLU A CG 1 ATOM 2360 C CD . GLU A 1 313 ? 10.085 -56.572 -58.621 1.00 69.67 ? 313 GLU A CD 1 ATOM 2361 O OE1 . GLU A 1 313 ? 9.451 -56.222 -57.597 1.00 66.83 ? 313 GLU A OE1 1 ATOM 2362 O OE2 . GLU A 1 313 ? 10.693 -57.663 -58.717 1.00 74.29 ? 313 GLU A OE2 1 ATOM 2363 N N . ALA A 1 314 ? 8.441 -56.633 -63.118 1.00 26.67 ? 314 ALA A N 1 ATOM 2364 C CA . ALA A 1 314 ? 8.882 -57.624 -64.086 1.00 30.10 ? 314 ALA A CA 1 ATOM 2365 C C . ALA A 1 314 ? 9.213 -56.952 -65.409 1.00 43.84 ? 314 ALA A C 1 ATOM 2366 O O . ALA A 1 314 ? 10.311 -57.125 -65.954 1.00 52.72 ? 314 ALA A O 1 ATOM 2367 C CB . ALA A 1 314 ? 7.803 -58.669 -64.288 1.00 24.18 ? 314 ALA A CB 1 ATOM 2368 N N . LEU A 1 315 ? 8.252 -56.185 -65.918 1.00 36.05 ? 315 LEU A N 1 ATOM 2369 C CA . LEU A 1 315 ? 8.432 -55.463 -67.167 1.00 27.00 ? 315 LEU A CA 1 ATOM 2370 C C . LEU A 1 315 ? 9.641 -54.530 -67.086 1.00 25.91 ? 315 LEU A C 1 ATOM 2371 O O . LEU A 1 315 ? 10.401 -54.428 -68.042 1.00 33.00 ? 315 LEU A O 1 ATOM 2372 C CB . LEU A 1 315 ? 7.166 -54.681 -67.557 1.00 24.23 ? 315 LEU A CB 1 ATOM 2373 C CG . LEU A 1 315 ? 5.838 -55.408 -67.830 1.00 28.57 ? 315 LEU A CG 1 ATOM 2374 C CD1 . LEU A 1 315 ? 4.764 -54.422 -68.241 1.00 37.30 ? 315 LEU A CD1 1 ATOM 2375 C CD2 . LEU A 1 315 ? 5.959 -56.462 -68.885 1.00 19.46 ? 315 LEU A CD2 1 ATOM 2376 N N . ILE A 1 316 ? 9.834 -53.874 -65.944 1.00 24.85 ? 316 ILE A N 1 ATOM 2377 C CA . ILE A 1 316 ? 10.963 -52.959 -65.782 1.00 18.70 ? 316 ILE A CA 1 ATOM 2378 C C . ILE A 1 316 ? 12.327 -53.636 -65.978 1.00 28.89 ? 316 ILE A C 1 ATOM 2379 O O . ILE A 1 316 ? 13.197 -53.109 -66.674 1.00 27.59 ? 316 ILE A O 1 ATOM 2380 C CB . ILE A 1 316 ? 10.919 -52.231 -64.440 1.00 18.22 ? 316 ILE A CB 1 ATOM 2381 C CG1 . ILE A 1 316 ? 9.839 -51.164 -64.466 1.00 19.82 ? 316 ILE A CG1 1 ATOM 2382 C CG2 . ILE A 1 316 ? 12.205 -51.538 -64.187 1.00 18.56 ? 316 ILE A CG2 1 ATOM 2383 C CD1 . ILE A 1 316 ? 9.596 -50.496 -63.141 1.00 22.69 ? 316 ILE A CD1 1 ATOM 2384 N N . ASN A 1 317 ? 12.516 -54.809 -65.391 1.00 33.51 ? 317 ASN A N 1 ATOM 2385 C CA . ASN A 1 317 ? 13.804 -55.471 -65.516 1.00 39.85 ? 317 ASN A CA 1 ATOM 2386 C C . ASN A 1 317 ? 14.023 -55.925 -66.943 1.00 44.40 ? 317 ASN A C 1 ATOM 2387 O O . ASN A 1 317 ? 15.089 -55.718 -67.522 1.00 50.09 ? 317 ASN A O 1 ATOM 2388 C CB . ASN A 1 317 ? 13.908 -56.673 -64.587 1.00 41.83 ? 317 ASN A CB 1 ATOM 2389 C CG . ASN A 1 317 ? 13.530 -56.351 -63.159 1.00 44.16 ? 317 ASN A CG 1 ATOM 2390 O OD1 . ASN A 1 317 ? 13.732 -55.230 -62.669 1.00 38.15 ? 317 ASN A OD1 1 ATOM 2391 N ND2 . ASN A 1 317 ? 12.977 -57.348 -62.472 1.00 21.31 ? 317 ASN A ND2 1 ATOM 2392 N N . ALA A 1 318 ? 13.001 -56.536 -67.519 1.00 44.72 ? 318 ALA A N 1 ATOM 2393 C CA . ALA A 1 318 ? 13.129 -57.098 -68.858 1.00 46.91 ? 318 ALA A CA 1 ATOM 2394 C C . ALA A 1 318 ? 13.339 -56.053 -69.965 1.00 46.46 ? 318 ALA A C 1 ATOM 2395 O O . ALA A 1 318 ? 14.180 -56.241 -70.845 1.00 48.49 ? 318 ALA A O 1 ATOM 2396 C CB . ALA A 1 318 ? 11.931 -57.952 -69.167 1.00 48.09 ? 318 ALA A CB 1 ATOM 2397 N N . GLY A 1 319 ? 12.591 -54.954 -69.897 1.00 45.08 ? 319 GLY A N 1 ATOM 2398 C CA . GLY A 1 319 ? 12.495 -53.994 -70.985 1.00 47.60 ? 319 GLY A CA 1 ATOM 2399 C C . GLY A 1 319 ? 13.777 -53.441 -71.582 1.00 47.96 ? 319 GLY A C 1 ATOM 2400 O O . GLY A 1 319 ? 14.796 -53.321 -70.902 1.00 42.14 ? 319 GLY A O 1 ATOM 2401 N N . ASP A 1 320 ? 13.723 -53.114 -72.873 1.00 44.19 ? 320 ASP A N 1 ATOM 2402 C CA . ASP A 1 320 ? 14.772 -52.315 -73.486 1.00 30.93 ? 320 ASP A CA 1 ATOM 2403 C C . ASP A 1 320 ? 14.327 -50.874 -73.452 1.00 30.56 ? 320 ASP A C 1 ATOM 2404 O O . ASP A 1 320 ? 13.169 -50.573 -73.720 1.00 34.30 ? 320 ASP A O 1 ATOM 2405 C CB . ASP A 1 320 ? 15.015 -52.715 -74.930 1.00 29.45 ? 320 ASP A CB 1 ATOM 2406 C CG . ASP A 1 320 ? 16.393 -52.308 -75.416 1.00 39.23 ? 320 ASP A CG 1 ATOM 2407 O OD1 . ASP A 1 320 ? 16.988 -51.398 -74.804 1.00 37.10 ? 320 ASP A OD1 1 ATOM 2408 O OD2 . ASP A 1 320 ? 16.886 -52.902 -76.403 1.00 48.20 ? 320 ASP A OD2 1 ATOM 2409 N N . PHE A 1 321 ? 15.244 -49.977 -73.125 1.00 36.55 ? 321 PHE A N 1 ATOM 2410 C CA . PHE A 1 321 ? 14.873 -48.589 -72.910 1.00 36.81 ? 321 PHE A CA 1 ATOM 2411 C C . PHE A 1 321 ? 15.732 -47.609 -73.676 1.00 34.52 ? 321 PHE A C 1 ATOM 2412 O O . PHE A 1 321 ? 15.730 -46.419 -73.366 1.00 35.84 ? 321 PHE A O 1 ATOM 2413 C CB . PHE A 1 321 ? 14.882 -48.260 -71.415 1.00 38.96 ? 321 PHE A CB 1 ATOM 2414 C CG . PHE A 1 321 ? 13.865 -49.021 -70.649 1.00 39.16 ? 321 PHE A CG 1 ATOM 2415 C CD1 . PHE A 1 321 ? 12.529 -48.657 -70.715 1.00 19.78 ? 321 PHE A CD1 1 ATOM 2416 C CD2 . PHE A 1 321 ? 14.231 -50.138 -69.909 1.00 36.70 ? 321 PHE A CD2 1 ATOM 2417 C CE1 . PHE A 1 321 ? 11.571 -49.380 -70.041 1.00 19.17 ? 321 PHE A CE1 1 ATOM 2418 C CE2 . PHE A 1 321 ? 13.281 -50.871 -69.221 1.00 32.78 ? 321 PHE A CE2 1 ATOM 2419 C CZ . PHE A 1 321 ? 11.947 -50.491 -69.285 1.00 31.07 ? 321 PHE A CZ 1 ATOM 2420 N N . HIS A 1 322 ? 16.454 -48.103 -74.678 1.00 33.61 ? 322 HIS A N 1 ATOM 2421 C CA . HIS A 1 322 ? 17.268 -47.226 -75.514 1.00 36.78 ? 322 HIS A CA 1 ATOM 2422 C C . HIS A 1 322 ? 16.360 -46.239 -76.269 1.00 37.97 ? 322 HIS A C 1 ATOM 2423 O O . HIS A 1 322 ? 15.224 -46.557 -76.625 1.00 24.22 ? 322 HIS A O 1 ATOM 2424 C CB . HIS A 1 322 ? 18.155 -48.029 -76.475 1.00 37.50 ? 322 HIS A CB 1 ATOM 2425 C CG . HIS A 1 322 ? 19.235 -48.832 -75.802 1.00 45.27 ? 322 HIS A CG 1 ATOM 2426 N ND1 . HIS A 1 322 ? 19.041 -50.131 -75.372 1.00 51.39 ? 322 HIS A ND1 1 ATOM 2427 C CD2 . HIS A 1 322 ? 20.525 -48.530 -75.517 1.00 47.01 ? 322 HIS A CD2 1 ATOM 2428 C CE1 . HIS A 1 322 ? 20.164 -50.589 -74.842 1.00 55.31 ? 322 HIS A CE1 1 ATOM 2429 N NE2 . HIS A 1 322 ? 21.081 -49.640 -74.917 1.00 52.45 ? 322 HIS A NE2 1 ATOM 2430 N N . GLY A 1 323 ? 16.847 -45.025 -76.476 1.00 38.26 ? 323 GLY A N 1 ATOM 2431 C CA . GLY A 1 323 ? 16.049 -44.010 -77.137 1.00 36.22 ? 323 GLY A CA 1 ATOM 2432 C C . GLY A 1 323 ? 15.013 -43.338 -76.258 1.00 36.63 ? 323 GLY A C 1 ATOM 2433 O O . GLY A 1 323 ? 14.117 -42.654 -76.750 1.00 37.20 ? 323 GLY A O 1 ATOM 2434 N N . LEU A 1 324 ? 15.137 -43.520 -74.949 1.00 46.55 ? 324 LEU A N 1 ATOM 2435 C CA . LEU A 1 324 ? 14.188 -42.938 -74.010 1.00 38.30 ? 324 LEU A CA 1 ATOM 2436 C C . LEU A 1 324 ? 14.943 -41.967 -73.114 1.00 39.76 ? 324 LEU A C 1 ATOM 2437 O O . LEU A 1 324 ? 16.083 -42.241 -72.732 1.00 48.62 ? 324 LEU A O 1 ATOM 2438 C CB . LEU A 1 324 ? 13.519 -44.050 -73.188 1.00 31.48 ? 324 LEU A CB 1 ATOM 2439 C CG . LEU A 1 324 ? 12.091 -43.842 -72.669 1.00 36.77 ? 324 LEU A CG 1 ATOM 2440 C CD1 . LEU A 1 324 ? 12.091 -43.239 -71.265 1.00 43.89 ? 324 LEU A CD1 1 ATOM 2441 C CD2 . LEU A 1 324 ? 11.282 -42.971 -73.619 1.00 31.75 ? 324 LEU A CD2 1 ATOM 2442 N N . GLN A 1 325 ? 14.340 -40.816 -72.821 1.00 32.43 ? 325 GLN A N 1 ATOM 2443 C CA . GLN A 1 325 ? 14.868 -39.946 -71.775 1.00 32.57 ? 325 GLN A CA 1 ATOM 2444 C C . GLN A 1 325 ? 13.745 -39.703 -70.817 1.00 38.67 ? 325 GLN A C 1 ATOM 2445 O O . GLN A 1 325 ? 12.648 -39.301 -71.210 1.00 43.61 ? 325 GLN A O 1 ATOM 2446 C CB . GLN A 1 325 ? 15.410 -38.609 -72.286 1.00 38.80 ? 325 GLN A CB 1 ATOM 2447 C CG . GLN A 1 325 ? 16.300 -38.701 -73.506 1.00 51.16 ? 325 GLN A CG 1 ATOM 2448 C CD . GLN A 1 325 ? 15.488 -38.826 -74.779 1.00 57.09 ? 325 GLN A CD 1 ATOM 2449 O OE1 . GLN A 1 325 ? 14.604 -38.007 -75.055 1.00 54.19 ? 325 GLN A OE1 1 ATOM 2450 N NE2 . GLN A 1 325 ? 15.759 -39.873 -75.549 1.00 64.31 ? 325 GLN A NE2 1 ATOM 2451 N N . VAL A 1 326 ? 14.040 -39.967 -69.553 1.00 43.16 ? 326 VAL A N 1 ATOM 2452 C CA . VAL A 1 326 ? 13.070 -39.874 -68.485 1.00 36.98 ? 326 VAL A CA 1 ATOM 2453 C C . VAL A 1 326 ? 13.681 -39.123 -67.293 1.00 35.09 ? 326 VAL A C 1 ATOM 2454 O O . VAL A 1 326 ? 14.855 -39.295 -66.955 1.00 31.87 ? 326 VAL A O 1 ATOM 2455 C CB . VAL A 1 326 ? 12.562 -41.276 -68.116 1.00 35.06 ? 326 VAL A CB 1 ATOM 2456 C CG1 . VAL A 1 326 ? 13.688 -42.271 -68.221 1.00 37.29 ? 326 VAL A CG1 1 ATOM 2457 C CG2 . VAL A 1 326 ? 11.963 -41.299 -66.736 1.00 35.48 ? 326 VAL A CG2 1 ATOM 2458 N N . LEU A 1 327 ? 12.873 -38.253 -66.699 1.00 38.51 ? 327 LEU A N 1 ATOM 2459 C CA . LEU A 1 327 ? 13.277 -37.395 -65.596 1.00 37.52 ? 327 LEU A CA 1 ATOM 2460 C C . LEU A 1 327 ? 12.499 -37.782 -64.334 1.00 42.31 ? 327 LEU A C 1 ATOM 2461 O O . LEU A 1 327 ? 11.272 -37.666 -64.293 1.00 47.24 ? 327 LEU A O 1 ATOM 2462 C CB . LEU A 1 327 ? 12.980 -35.944 -65.963 1.00 28.06 ? 327 LEU A CB 1 ATOM 2463 C CG . LEU A 1 327 ? 13.178 -34.902 -64.879 1.00 26.54 ? 327 LEU A CG 1 ATOM 2464 C CD1 . LEU A 1 327 ? 14.643 -34.641 -64.710 1.00 33.23 ? 327 LEU A CD1 1 ATOM 2465 C CD2 . LEU A 1 327 ? 12.458 -33.643 -65.248 1.00 23.88 ? 327 LEU A CD2 1 ATOM 2466 N N . VAL A 1 328 ? 13.211 -38.238 -63.307 1.00 35.31 ? 328 VAL A N 1 ATOM 2467 C CA . VAL A 1 328 ? 12.564 -38.749 -62.098 1.00 28.78 ? 328 VAL A CA 1 ATOM 2468 C C . VAL A 1 328 ? 12.886 -37.949 -60.828 1.00 30.72 ? 328 VAL A C 1 ATOM 2469 O O . VAL A 1 328 ? 13.994 -37.436 -60.667 1.00 34.11 ? 328 VAL A O 1 ATOM 2470 C CB . VAL A 1 328 ? 12.902 -40.254 -61.870 1.00 33.40 ? 328 VAL A CB 1 ATOM 2471 C CG1 . VAL A 1 328 ? 12.512 -41.065 -63.074 1.00 34.70 ? 328 VAL A CG1 1 ATOM 2472 C CG2 . VAL A 1 328 ? 14.369 -40.449 -61.598 1.00 31.76 ? 328 VAL A CG2 1 ATOM 2473 N N . GLY A 1 329 ? 11.915 -37.846 -59.923 1.00 30.13 ? 329 GLY A N 1 ATOM 2474 C CA . GLY A 1 329 ? 12.197 -37.295 -58.611 1.00 26.64 ? 329 GLY A CA 1 ATOM 2475 C C . GLY A 1 329 ? 11.133 -37.295 -57.530 1.00 31.11 ? 329 GLY A C 1 ATOM 2476 O O . GLY A 1 329 ? 9.981 -37.692 -57.725 1.00 27.46 ? 329 GLY A O 1 ATOM 2477 N N . VAL A 1 330 ? 11.557 -36.806 -56.369 1.00 37.64 ? 330 VAL A N 1 ATOM 2478 C CA . VAL A 1 330 ? 10.806 -36.901 -55.130 1.00 30.21 ? 330 VAL A CA 1 ATOM 2479 C C . VAL A 1 330 ? 10.980 -35.613 -54.334 1.00 30.91 ? 330 VAL A C 1 ATOM 2480 O O . VAL A 1 330 ? 11.934 -34.863 -54.552 1.00 33.23 ? 330 VAL A O 1 ATOM 2481 C CB . VAL A 1 330 ? 11.348 -38.057 -54.273 1.00 27.32 ? 330 VAL A CB 1 ATOM 2482 C CG1 . VAL A 1 330 ? 10.968 -39.396 -54.871 1.00 28.07 ? 330 VAL A CG1 1 ATOM 2483 C CG2 . VAL A 1 330 ? 12.865 -37.946 -54.149 1.00 20.30 ? 330 VAL A CG2 1 ATOM 2484 N N . VAL A 1 331 ? 10.061 -35.352 -53.411 1.00 29.35 ? 331 VAL A N 1 ATOM 2485 C CA . VAL A 1 331 ? 10.212 -34.212 -52.519 1.00 30.53 ? 331 VAL A CA 1 ATOM 2486 C C . VAL A 1 331 ? 11.024 -34.658 -51.308 1.00 34.25 ? 331 VAL A C 1 ATOM 2487 O O . VAL A 1 331 ? 11.347 -35.842 -51.181 1.00 29.89 ? 331 VAL A O 1 ATOM 2488 C CB . VAL A 1 331 ? 8.859 -33.662 -52.059 1.00 30.00 ? 331 VAL A CB 1 ATOM 2489 C CG1 . VAL A 1 331 ? 8.016 -33.260 -53.259 1.00 31.20 ? 331 VAL A CG1 1 ATOM 2490 C CG2 . VAL A 1 331 ? 8.138 -34.697 -51.216 1.00 28.58 ? 331 VAL A CG2 1 ATOM 2491 N N . LYS A 1 332 ? 11.358 -33.716 -50.428 1.00 37.83 ? 332 LYS A N 1 ATOM 2492 C CA . LYS A 1 332 ? 12.194 -34.016 -49.263 1.00 40.52 ? 332 LYS A CA 1 ATOM 2493 C C . LYS A 1 332 ? 11.503 -34.913 -48.232 1.00 36.83 ? 332 LYS A C 1 ATOM 2494 O O . LYS A 1 332 ? 12.136 -35.792 -47.637 1.00 40.03 ? 332 LYS A O 1 ATOM 2495 C CB . LYS A 1 332 ? 12.690 -32.725 -48.594 1.00 43.31 ? 332 LYS A CB 1 ATOM 2496 C CG . LYS A 1 332 ? 13.397 -32.950 -47.263 1.00 45.06 ? 332 LYS A CG 1 ATOM 2497 C CD . LYS A 1 332 ? 14.723 -32.216 -47.149 1.00 48.99 ? 332 LYS A CD 1 ATOM 2498 C CE . LYS A 1 332 ? 15.372 -32.516 -45.801 1.00 66.02 ? 332 LYS A CE 1 ATOM 2499 N NZ . LYS A 1 332 ? 14.500 -32.144 -44.629 1.00 71.28 ? 332 LYS A NZ 1 ATOM 2500 N N . ASP A 1 333 ? 10.207 -34.697 -48.028 1.00 27.31 ? 333 ASP A N 1 ATOM 2501 C CA . ASP A 1 333 ? 9.496 -35.370 -46.946 1.00 29.31 ? 333 ASP A CA 1 ATOM 2502 C C . ASP A 1 333 ? 8.234 -36.035 -47.464 1.00 29.46 ? 333 ASP A C 1 ATOM 2503 O O . ASP A 1 333 ? 7.112 -35.675 -47.095 1.00 28.48 ? 333 ASP A O 1 ATOM 2504 C CB . ASP A 1 333 ? 9.205 -34.393 -45.804 1.00 27.85 ? 333 ASP A CB 1 ATOM 2505 C CG . ASP A 1 333 ? 10.472 -33.777 -45.245 1.00 38.24 ? 333 ASP A CG 1 ATOM 2506 O OD1 . ASP A 1 333 ? 11.409 -34.549 -44.947 1.00 45.32 ? 333 ASP A OD1 1 ATOM 2507 O OD2 . ASP A 1 333 ? 10.550 -32.533 -45.129 1.00 39.06 ? 333 ASP A OD2 1 ATOM 2508 N N . GLU A 1 334 ? 8.455 -37.019 -48.329 1.00 33.10 ? 334 GLU A N 1 ATOM 2509 C CA . GLU A 1 334 ? 7.389 -37.739 -49.008 1.00 40.48 ? 334 GLU A CA 1 ATOM 2510 C C . GLU A 1 334 ? 6.380 -38.332 -48.044 1.00 40.60 ? 334 GLU A C 1 ATOM 2511 O O . GLU A 1 334 ? 5.170 -38.169 -48.235 1.00 34.10 ? 334 GLU A O 1 ATOM 2512 C CB . GLU A 1 334 ? 7.983 -38.860 -49.862 1.00 49.27 ? 334 GLU A CB 1 ATOM 2513 C CG . GLU A 1 334 ? 8.796 -38.374 -51.048 1.00 54.69 ? 334 GLU A CG 1 ATOM 2514 C CD . GLU A 1 334 ? 7.928 -37.923 -52.205 1.00 48.90 ? 334 GLU A CD 1 ATOM 2515 O OE1 . GLU A 1 334 ? 6.713 -38.205 -52.184 1.00 49.10 ? 334 GLU A OE1 1 ATOM 2516 O OE2 . GLU A 1 334 ? 8.463 -37.290 -53.136 1.00 44.68 ? 334 GLU A OE2 1 ATOM 2517 N N . GLY A 1 335 ? 6.880 -39.014 -47.012 1.00 44.39 ? 335 GLY A N 1 ATOM 2518 C CA . GLY A 1 335 ? 6.024 -39.781 -46.121 1.00 37.68 ? 335 GLY A CA 1 ATOM 2519 C C . GLY A 1 335 ? 5.161 -38.968 -45.170 1.00 33.34 ? 335 GLY A C 1 ATOM 2520 O O . GLY A 1 335 ? 4.090 -39.420 -44.750 1.00 34.69 ? 335 GLY A O 1 ATOM 2521 N N . SER A 1 336 ? 5.618 -37.755 -44.864 1.00 28.45 ? 336 SER A N 1 ATOM 2522 C CA . SER A 1 336 ? 5.105 -36.963 -43.746 1.00 26.56 ? 336 SER A CA 1 ATOM 2523 C C . SER A 1 336 ? 3.580 -36.836 -43.604 1.00 31.17 ? 336 SER A C 1 ATOM 2524 O O . SER A 1 336 ? 3.030 -37.203 -42.572 1.00 37.31 ? 336 SER A O 1 ATOM 2525 C CB . SER A 1 336 ? 5.787 -35.583 -43.703 1.00 27.62 ? 336 SER A CB 1 ATOM 2526 O OG . SER A 1 336 ? 5.284 -34.694 -44.683 1.00 29.90 ? 336 SER A OG 1 ATOM 2527 N N . TYR A 1 337 ? 2.904 -36.326 -44.628 1.00 36.90 ? 337 TYR A N 1 ATOM 2528 C CA . TYR A 1 337 ? 1.477 -35.997 -44.511 1.00 38.39 ? 337 TYR A CA 1 ATOM 2529 C C . TYR A 1 337 ? 0.573 -37.209 -44.204 1.00 34.08 ? 337 TYR A C 1 ATOM 2530 O O . TYR A 1 337 ? -0.450 -37.078 -43.527 1.00 26.77 ? 337 TYR A O 1 ATOM 2531 C CB . TYR A 1 337 ? 1.000 -35.163 -45.733 1.00 37.87 ? 337 TYR A CB 1 ATOM 2532 C CG . TYR A 1 337 ? 0.028 -35.823 -46.715 1.00 43.76 ? 337 TYR A CG 1 ATOM 2533 C CD1 . TYR A 1 337 ? -1.317 -35.991 -46.390 1.00 45.78 ? 337 TYR A CD1 1 ATOM 2534 C CD2 . TYR A 1 337 ? 0.444 -36.226 -47.994 1.00 42.07 ? 337 TYR A CD2 1 ATOM 2535 C CE1 . TYR A 1 337 ? -2.213 -36.578 -47.282 1.00 48.46 ? 337 TYR A CE1 1 ATOM 2536 C CE2 . TYR A 1 337 ? -0.457 -36.814 -48.904 1.00 34.87 ? 337 TYR A CE2 1 ATOM 2537 C CZ . TYR A 1 337 ? -1.789 -36.985 -48.534 1.00 39.98 ? 337 TYR A CZ 1 ATOM 2538 O OH . TYR A 1 337 ? -2.724 -37.563 -49.379 1.00 36.79 ? 337 TYR A OH 1 ATOM 2539 N N . PHE A 1 338 ? 0.969 -38.388 -44.669 1.00 31.96 ? 338 PHE A N 1 ATOM 2540 C CA . PHE A 1 338 ? 0.103 -39.560 -44.576 1.00 34.19 ? 338 PHE A CA 1 ATOM 2541 C C . PHE A 1 338 ? -0.163 -40.037 -43.142 1.00 38.64 ? 338 PHE A C 1 ATOM 2542 O O . PHE A 1 338 ? -1.214 -40.612 -42.853 1.00 38.92 ? 338 PHE A O 1 ATOM 2543 C CB . PHE A 1 338 ? 0.673 -40.695 -45.422 1.00 32.13 ? 338 PHE A CB 1 ATOM 2544 C CG . PHE A 1 338 ? 0.562 -40.458 -46.884 1.00 43.54 ? 338 PHE A CG 1 ATOM 2545 C CD1 . PHE A 1 338 ? -0.634 -40.698 -47.547 1.00 55.09 ? 338 PHE A CD1 1 ATOM 2546 C CD2 . PHE A 1 338 ? 1.645 -39.975 -47.604 1.00 45.86 ? 338 PHE A CD2 1 ATOM 2547 C CE1 . PHE A 1 338 ? -0.747 -40.467 -48.917 1.00 53.97 ? 338 PHE A CE1 1 ATOM 2548 C CE2 . PHE A 1 338 ? 1.543 -39.743 -48.968 1.00 45.10 ? 338 PHE A CE2 1 ATOM 2549 C CZ . PHE A 1 338 ? 0.346 -39.992 -49.627 1.00 47.39 ? 338 PHE A CZ 1 ATOM 2550 N N . LEU A 1 339 ? 0.790 -39.792 -42.250 1.00 35.17 ? 339 LEU A N 1 ATOM 2551 C CA . LEU A 1 339 ? 0.706 -40.282 -40.875 1.00 30.92 ? 339 LEU A CA 1 ATOM 2552 C C . LEU A 1 339 ? -0.473 -39.711 -40.066 1.00 32.66 ? 339 LEU A C 1 ATOM 2553 O O . LEU A 1 339 ? -0.877 -40.300 -39.066 1.00 39.93 ? 339 LEU A O 1 ATOM 2554 C CB . LEU A 1 339 ? 2.035 -40.045 -40.156 1.00 24.39 ? 339 LEU A CB 1 ATOM 2555 C CG . LEU A 1 339 ? 3.233 -40.684 -40.868 1.00 25.82 ? 339 LEU A CG 1 ATOM 2556 C CD1 . LEU A 1 339 ? 4.514 -39.895 -40.646 1.00 26.72 ? 339 LEU A CD1 1 ATOM 2557 C CD2 . LEU A 1 339 ? 3.427 -42.110 -40.431 1.00 23.87 ? 339 LEU A CD2 1 ATOM 2558 N N . VAL A 1 340 ? -1.043 -38.587 -40.501 1.00 29.50 ? 340 VAL A N 1 ATOM 2559 C CA . VAL A 1 340 ? -2.236 -38.050 -39.837 1.00 29.42 ? 340 VAL A CA 1 ATOM 2560 C C . VAL A 1 340 ? -3.507 -38.847 -40.192 1.00 27.29 ? 340 VAL A C 1 ATOM 2561 O O . VAL A 1 340 ? -4.590 -38.569 -39.689 1.00 25.89 ? 340 VAL A O 1 ATOM 2562 C CB . VAL A 1 340 ? -2.454 -36.541 -40.123 1.00 36.20 ? 340 VAL A CB 1 ATOM 2563 C CG1 . VAL A 1 340 ? -1.146 -35.765 -40.011 1.00 26.03 ? 340 VAL A CG1 1 ATOM 2564 C CG2 . VAL A 1 340 ? -3.068 -36.352 -41.485 1.00 24.82 ? 340 VAL A CG2 1 ATOM 2565 N N . TYR A 1 341 ? -3.372 -39.847 -41.053 1.00 33.26 ? 341 TYR A N 1 ATOM 2566 C CA . TYR A 1 341 ? -4.524 -40.648 -41.449 1.00 34.67 ? 341 TYR A CA 1 ATOM 2567 C C . TYR A 1 341 ? -4.623 -41.941 -40.658 1.00 39.72 ? 341 TYR A C 1 ATOM 2568 O O . TYR A 1 341 ? -5.171 -42.937 -41.147 1.00 37.88 ? 341 TYR A O 1 ATOM 2569 C CB . TYR A 1 341 ? -4.532 -40.913 -42.965 1.00 31.01 ? 341 TYR A CB 1 ATOM 2570 C CG . TYR A 1 341 ? -4.924 -39.687 -43.771 1.00 34.26 ? 341 TYR A CG 1 ATOM 2571 C CD1 . TYR A 1 341 ? -6.257 -39.394 -44.029 1.00 34.18 ? 341 TYR A CD1 1 ATOM 2572 C CD2 . TYR A 1 341 ? -3.960 -38.802 -44.238 1.00 39.05 ? 341 TYR A CD2 1 ATOM 2573 C CE1 . TYR A 1 341 ? -6.616 -38.265 -44.746 1.00 35.06 ? 341 TYR A CE1 1 ATOM 2574 C CE2 . TYR A 1 341 ? -4.311 -37.669 -44.956 1.00 37.05 ? 341 TYR A CE2 1 ATOM 2575 C CZ . TYR A 1 341 ? -5.638 -37.406 -45.211 1.00 35.13 ? 341 TYR A CZ 1 ATOM 2576 O OH . TYR A 1 341 ? -5.982 -36.277 -45.931 1.00 37.95 ? 341 TYR A OH 1 ATOM 2577 N N . GLY A 1 342 ? -4.091 -41.918 -39.436 1.00 43.77 ? 342 GLY A N 1 ATOM 2578 C CA . GLY A 1 342 ? -4.233 -43.047 -38.536 1.00 47.49 ? 342 GLY A CA 1 ATOM 2579 C C . GLY A 1 342 ? -2.990 -43.556 -37.835 1.00 51.69 ? 342 GLY A C 1 ATOM 2580 O O . GLY A 1 342 ? -3.066 -44.520 -37.076 1.00 64.48 ? 342 GLY A O 1 ATOM 2581 N N . ALA A 1 343 ? -1.838 -42.946 -38.077 1.00 48.63 ? 343 ALA A N 1 ATOM 2582 C CA . ALA A 1 343 ? -0.662 -43.329 -37.302 1.00 50.02 ? 343 ALA A CA 1 ATOM 2583 C C . ALA A 1 343 ? -0.806 -42.697 -35.934 1.00 48.10 ? 343 ALA A C 1 ATOM 2584 O O . ALA A 1 343 ? -0.946 -41.473 -35.832 1.00 50.51 ? 343 ALA A O 1 ATOM 2585 C CB . ALA A 1 343 ? 0.619 -42.877 -37.970 1.00 47.71 ? 343 ALA A CB 1 ATOM 2586 N N . PRO A 1 344 ? -0.786 -43.529 -34.877 1.00 41.30 ? 344 PRO A N 1 ATOM 2587 C CA . PRO A 1 344 ? -1.079 -43.054 -33.525 1.00 39.82 ? 344 PRO A CA 1 ATOM 2588 C C . PRO A 1 344 ? -0.026 -42.049 -33.083 1.00 37.63 ? 344 PRO A C 1 ATOM 2589 O O . PRO A 1 344 ? 1.161 -42.372 -33.044 1.00 37.66 ? 344 PRO A O 1 ATOM 2590 C CB . PRO A 1 344 ? -1.031 -44.334 -32.682 1.00 31.57 ? 344 PRO A CB 1 ATOM 2591 C CG . PRO A 1 344 ? -0.128 -45.221 -33.389 1.00 41.14 ? 344 PRO A CG 1 ATOM 2592 C CD . PRO A 1 344 ? -0.317 -44.925 -34.870 1.00 42.99 ? 344 PRO A CD 1 ATOM 2593 N N . GLY A 1 345 ? -0.465 -40.829 -32.795 1.00 33.64 ? 345 GLY A N 1 ATOM 2594 C CA . GLY A 1 345 ? 0.440 -39.767 -32.418 1.00 32.67 ? 345 GLY A CA 1 ATOM 2595 C C . GLY A 1 345 ? 0.295 -38.548 -33.297 1.00 42.33 ? 345 GLY A C 1 ATOM 2596 O O . GLY A 1 345 ? 0.461 -37.416 -32.834 1.00 48.94 ? 345 GLY A O 1 ATOM 2597 N N . PHE A 1 346 ? -0.042 -38.773 -34.564 1.00 43.50 ? 346 PHE A N 1 ATOM 2598 C CA . PHE A 1 346 ? 0.008 -37.708 -35.562 1.00 41.85 ? 346 PHE A CA 1 ATOM 2599 C C . PHE A 1 346 ? -1.272 -36.891 -35.752 1.00 49.39 ? 346 PHE A C 1 ATOM 2600 O O . PHE A 1 346 ? -2.365 -37.432 -35.973 1.00 56.95 ? 346 PHE A O 1 ATOM 2601 C CB . PHE A 1 346 ? 0.492 -38.261 -36.898 1.00 38.78 ? 346 PHE A CB 1 ATOM 2602 C CG . PHE A 1 346 ? 1.885 -38.826 -36.850 1.00 41.20 ? 346 PHE A CG 1 ATOM 2603 C CD1 . PHE A 1 346 ? 2.109 -40.124 -36.406 1.00 36.99 ? 346 PHE A CD1 1 ATOM 2604 C CD2 . PHE A 1 346 ? 2.969 -38.061 -37.248 1.00 27.64 ? 346 PHE A CD2 1 ATOM 2605 C CE1 . PHE A 1 346 ? 3.387 -40.647 -36.363 1.00 37.42 ? 346 PHE A CE1 1 ATOM 2606 C CE2 . PHE A 1 346 ? 4.248 -38.572 -37.197 1.00 41.62 ? 346 PHE A CE2 1 ATOM 2607 C CZ . PHE A 1 346 ? 4.461 -39.869 -36.757 1.00 41.15 ? 346 PHE A CZ 1 ATOM 2608 N N . SER A 1 347 ? -1.108 -35.576 -35.642 1.00 45.44 ? 347 SER A N 1 ATOM 2609 C CA . SER A 1 347 ? -2.115 -34.612 -36.066 1.00 48.78 ? 347 SER A CA 1 ATOM 2610 C C . SER A 1 347 ? -1.405 -33.401 -36.657 1.00 50.54 ? 347 SER A C 1 ATOM 2611 O O . SER A 1 347 ? -0.251 -33.134 -36.327 1.00 30.71 ? 347 SER A O 1 ATOM 2612 C CB . SER A 1 347 ? -3.001 -34.177 -34.903 1.00 44.58 ? 347 SER A CB 1 ATOM 2613 O OG . SER A 1 347 ? -3.949 -33.206 -35.328 1.00 45.65 ? 347 SER A OG 1 ATOM 2614 N N . LYS A 1 348 ? -2.084 -32.677 -37.542 1.00 50.51 ? 348 LYS A N 1 ATOM 2615 C CA . LYS A 1 348 ? -1.529 -31.438 -38.082 1.00 49.78 ? 348 LYS A CA 1 ATOM 2616 C C . LYS A 1 348 ? -1.591 -30.304 -37.046 1.00 50.69 ? 348 LYS A C 1 ATOM 2617 O O . LYS A 1 348 ? -1.204 -29.175 -37.338 1.00 59.25 ? 348 LYS A O 1 ATOM 2618 C CB . LYS A 1 348 ? -2.263 -31.006 -39.363 1.00 40.22 ? 348 LYS A CB 1 ATOM 2619 C CG . LYS A 1 348 ? -3.682 -30.509 -39.107 1.00 35.88 ? 348 LYS A CG 1 ATOM 2620 C CD . LYS A 1 348 ? -4.209 -29.622 -40.221 1.00 35.64 ? 348 LYS A CD 1 ATOM 2621 C CE . LYS A 1 348 ? -4.321 -28.160 -39.775 1.00 36.36 ? 348 LYS A CE 1 ATOM 2622 N NZ . LYS A 1 348 ? -5.562 -27.858 -39.016 1.00 34.22 ? 348 LYS A NZ 1 ATOM 2623 N N . ASP A 1 349 ? -2.071 -30.595 -35.839 1.00 39.35 ? 349 ASP A N 1 ATOM 2624 C CA . ASP A 1 349 ? -2.312 -29.529 -34.872 1.00 40.83 ? 349 ASP A CA 1 ATOM 2625 C C . ASP A 1 349 ? -1.333 -29.500 -33.691 1.00 47.32 ? 349 ASP A C 1 ATOM 2626 O O . ASP A 1 349 ? -1.266 -28.504 -32.967 1.00 47.98 ? 349 ASP A O 1 ATOM 2627 C CB . ASP A 1 349 ? -3.763 -29.558 -34.392 1.00 43.89 ? 349 ASP A CB 1 ATOM 2628 C CG . ASP A 1 349 ? -4.763 -29.461 -35.539 1.00 50.92 ? 349 ASP A CG 1 ATOM 2629 O OD1 . ASP A 1 349 ? -4.960 -28.339 -36.061 1.00 34.93 ? 349 ASP A OD1 1 ATOM 2630 O OD2 . ASP A 1 349 ? -5.362 -30.504 -35.904 1.00 51.29 ? 349 ASP A OD2 1 ATOM 2631 N N . ASN A 1 350 ? -0.599 -30.595 -33.487 1.00 48.54 ? 350 ASN A N 1 ATOM 2632 C CA . ASN A 1 350 ? 0.560 -30.596 -32.593 1.00 44.94 ? 350 ASN A CA 1 ATOM 2633 C C . ASN A 1 350 ? 1.808 -31.028 -33.358 1.00 44.73 ? 350 ASN A C 1 ATOM 2634 O O . ASN A 1 350 ? 1.706 -31.427 -34.510 1.00 44.56 ? 350 ASN A O 1 ATOM 2635 C CB . ASN A 1 350 ? 0.332 -31.422 -31.308 1.00 55.85 ? 350 ASN A CB 1 ATOM 2636 C CG . ASN A 1 350 ? -0.049 -32.884 -31.570 1.00 68.25 ? 350 ASN A CG 1 ATOM 2637 O OD1 . ASN A 1 350 ? 0.772 -33.673 -32.033 1.00 72.10 ? 350 ASN A OD1 1 ATOM 2638 N ND2 . ASN A 1 350 ? -1.295 -33.254 -31.210 1.00 79.65 ? 350 ASN A ND2 1 ATOM 2639 N N . GLU A 1 351 ? 2.984 -30.943 -32.742 1.00 51.27 ? 351 GLU A N 1 ATOM 2640 C CA . GLU A 1 351 ? 4.227 -31.267 -33.455 1.00 48.25 ? 351 GLU A CA 1 ATOM 2641 C C . GLU A 1 351 ? 4.443 -32.761 -33.609 1.00 40.91 ? 351 GLU A C 1 ATOM 2642 O O . GLU A 1 351 ? 5.561 -33.197 -33.876 1.00 39.42 ? 351 GLU A O 1 ATOM 2643 C CB . GLU A 1 351 ? 5.453 -30.698 -32.746 1.00 55.85 ? 351 GLU A CB 1 ATOM 2644 C CG . GLU A 1 351 ? 5.249 -29.384 -32.041 1.00 66.22 ? 351 GLU A CG 1 ATOM 2645 C CD . GLU A 1 351 ? 6.557 -28.846 -31.536 1.00 76.43 ? 351 GLU A CD 1 ATOM 2646 O OE1 . GLU A 1 351 ? 7.546 -28.926 -32.303 1.00 80.80 ? 351 GLU A OE1 1 ATOM 2647 O OE2 . GLU A 1 351 ? 6.603 -28.373 -30.378 1.00 78.26 ? 351 GLU A OE2 1 ATOM 2648 N N . SER A 1 352 ? 3.374 -33.528 -33.419 1.00 39.23 ? 352 SER A N 1 ATOM 2649 C CA . SER A 1 352 ? 3.408 -34.983 -33.487 1.00 39.24 ? 352 SER A CA 1 ATOM 2650 C C . SER A 1 352 ? 4.678 -35.599 -32.912 1.00 42.17 ? 352 SER A C 1 ATOM 2651 O O . SER A 1 352 ? 5.338 -36.392 -33.569 1.00 37.92 ? 352 SER A O 1 ATOM 2652 C CB . SER A 1 352 ? 3.181 -35.446 -34.918 1.00 38.77 ? 352 SER A CB 1 ATOM 2653 O OG . SER A 1 352 ? 1.864 -35.121 -35.333 1.00 45.08 ? 352 SER A OG 1 ATOM 2654 N N . LEU A 1 353 ? 5.017 -35.222 -31.684 1.00 46.52 ? 353 LEU A N 1 ATOM 2655 C CA . LEU A 1 353 ? 6.197 -35.778 -31.033 1.00 47.03 ? 353 LEU A CA 1 ATOM 2656 C C . LEU A 1 353 ? 5.902 -37.142 -30.424 1.00 44.69 ? 353 LEU A C 1 ATOM 2657 O O . LEU A 1 353 ? 5.665 -37.276 -29.225 1.00 45.61 ? 353 LEU A O 1 ATOM 2658 C CB . LEU A 1 353 ? 6.733 -34.810 -29.987 1.00 42.02 ? 353 LEU A CB 1 ATOM 2659 C CG . LEU A 1 353 ? 7.433 -33.634 -30.648 1.00 42.80 ? 353 LEU A CG 1 ATOM 2660 C CD1 . LEU A 1 353 ? 7.692 -32.568 -29.628 1.00 39.55 ? 353 LEU A CD1 1 ATOM 2661 C CD2 . LEU A 1 353 ? 8.723 -34.105 -31.287 1.00 36.95 ? 353 LEU A CD2 1 ATOM 2662 N N . ILE A 1 354 ? 5.923 -38.161 -31.268 1.00 41.39 ? 354 ILE A N 1 ATOM 2663 C CA . ILE A 1 354 ? 5.514 -39.488 -30.836 1.00 44.87 ? 354 ILE A CA 1 ATOM 2664 C C . ILE A 1 354 ? 6.442 -40.134 -29.793 1.00 45.95 ? 354 ILE A C 1 ATOM 2665 O O . ILE A 1 354 ? 7.644 -39.861 -29.740 1.00 36.29 ? 354 ILE A O 1 ATOM 2666 C CB . ILE A 1 354 ? 5.333 -40.417 -32.044 1.00 43.73 ? 354 ILE A CB 1 ATOM 2667 C CG1 . ILE A 1 354 ? 6.630 -40.502 -32.841 1.00 32.16 ? 354 ILE A CG1 1 ATOM 2668 C CG2 . ILE A 1 354 ? 4.221 -39.893 -32.929 1.00 31.79 ? 354 ILE A CG2 1 ATOM 2669 C CD1 . ILE A 1 354 ? 6.734 -41.744 -33.648 1.00 38.16 ? 354 ILE A CD1 1 ATOM 2670 N N . SER A 1 355 ? 5.864 -40.980 -28.952 1.00 43.06 ? 355 SER A N 1 ATOM 2671 C CA . SER A 1 355 ? 6.644 -41.750 -27.998 1.00 47.14 ? 355 SER A CA 1 ATOM 2672 C C . SER A 1 355 ? 7.163 -42.953 -28.745 1.00 48.47 ? 355 SER A C 1 ATOM 2673 O O . SER A 1 355 ? 6.608 -43.301 -29.775 1.00 53.76 ? 355 SER A O 1 ATOM 2674 C CB . SER A 1 355 ? 5.754 -42.236 -26.870 1.00 46.94 ? 355 SER A CB 1 ATOM 2675 O OG . SER A 1 355 ? 4.999 -43.356 -27.298 1.00 41.66 ? 355 SER A OG 1 ATOM 2676 N N . ARG A 1 356 ? 8.204 -43.603 -28.234 1.00 49.34 ? 356 ARG A N 1 ATOM 2677 C CA . ARG A 1 356 ? 8.718 -44.794 -28.903 1.00 49.01 ? 356 ARG A CA 1 ATOM 2678 C C . ARG A 1 356 ? 7.624 -45.830 -29.053 1.00 50.66 ? 356 ARG A C 1 ATOM 2679 O O . ARG A 1 356 ? 7.547 -46.531 -30.063 1.00 50.52 ? 356 ARG A O 1 ATOM 2680 C CB . ARG A 1 356 ? 9.916 -45.386 -28.173 1.00 38.42 ? 356 ARG A CB 1 ATOM 2681 C CG . ARG A 1 356 ? 10.298 -46.744 -28.685 1.00 37.97 ? 356 ARG A CG 1 ATOM 2682 C CD . ARG A 1 356 ? 11.778 -46.966 -28.563 1.00 66.36 ? 356 ARG A CD 1 ATOM 2683 N NE . ARG A 1 356 ? 12.203 -48.117 -29.347 1.00 69.46 ? 356 ARG A NE 1 ATOM 2684 C CZ . ARG A 1 356 ? 12.544 -48.059 -30.629 1.00 71.89 ? 356 ARG A CZ 1 ATOM 2685 N NH1 . ARG A 1 356 ? 12.510 -46.905 -31.271 1.00 35.63 ? 356 ARG A NH1 1 ATOM 2686 N NH2 . ARG A 1 356 ? 12.921 -49.155 -31.264 1.00 36.17 ? 356 ARG A NH2 1 ATOM 2687 N N . ALA A 1 357 ? 6.753 -45.894 -28.055 1.00 55.28 ? 357 ALA A N 1 ATOM 2688 C CA . ALA A 1 357 ? 5.629 -46.812 -28.094 1.00 53.02 ? 357 ALA A CA 1 ATOM 2689 C C . ALA A 1 357 ? 4.733 -46.502 -29.288 1.00 52.08 ? 357 ALA A C 1 ATOM 2690 O O . ALA A 1 357 ? 4.212 -47.413 -29.928 1.00 65.51 ? 357 ALA A O 1 ATOM 2691 C CB . ALA A 1 357 ? 4.853 -46.748 -26.808 1.00 39.22 ? 357 ALA A CB 1 ATOM 2692 N N . GLU A 1 358 ? 4.571 -45.221 -29.598 1.00 41.83 ? 358 GLU A N 1 ATOM 2693 C CA . GLU A 1 358 ? 3.778 -44.813 -30.757 1.00 41.70 ? 358 GLU A CA 1 ATOM 2694 C C . GLU A 1 358 ? 4.526 -45.077 -32.089 1.00 40.90 ? 358 GLU A C 1 ATOM 2695 O O . GLU A 1 358 ? 3.917 -45.309 -33.141 1.00 37.07 ? 358 GLU A O 1 ATOM 2696 C CB . GLU A 1 358 ? 3.387 -43.335 -30.625 1.00 43.48 ? 358 GLU A CB 1 ATOM 2697 C CG . GLU A 1 358 ? 2.306 -43.048 -29.589 1.00 35.22 ? 358 GLU A CG 1 ATOM 2698 C CD . GLU A 1 358 ? 2.079 -41.556 -29.363 1.00 63.85 ? 358 GLU A CD 1 ATOM 2699 O OE1 . GLU A 1 358 ? 3.055 -40.777 -29.419 1.00 59.78 ? 358 GLU A OE1 1 ATOM 2700 O OE2 . GLU A 1 358 ? 0.922 -41.157 -29.123 1.00 36.05 ? 358 GLU A OE2 1 ATOM 2701 N N . PHE A 1 359 ? 5.853 -45.034 -32.029 1.00 41.82 ? 359 PHE A N 1 ATOM 2702 C CA . PHE A 1 359 ? 6.674 -45.319 -33.188 1.00 31.34 ? 359 PHE A CA 1 ATOM 2703 C C . PHE A 1 359 ? 6.453 -46.750 -33.616 1.00 42.94 ? 359 PHE A C 1 ATOM 2704 O O . PHE A 1 359 ? 6.051 -47.012 -34.740 1.00 51.19 ? 359 PHE A O 1 ATOM 2705 C CB . PHE A 1 359 ? 8.146 -45.123 -32.854 1.00 32.08 ? 359 PHE A CB 1 ATOM 2706 C CG . PHE A 1 359 ? 9.061 -45.520 -33.962 1.00 36.43 ? 359 PHE A CG 1 ATOM 2707 C CD1 . PHE A 1 359 ? 9.030 -44.844 -35.172 1.00 29.80 ? 359 PHE A CD1 1 ATOM 2708 C CD2 . PHE A 1 359 ? 9.953 -46.566 -33.799 1.00 36.52 ? 359 PHE A CD2 1 ATOM 2709 C CE1 . PHE A 1 359 ? 9.869 -45.205 -36.199 1.00 40.42 ? 359 PHE A CE1 1 ATOM 2710 C CE2 . PHE A 1 359 ? 10.806 -46.932 -34.832 1.00 39.82 ? 359 PHE A CE2 1 ATOM 2711 C CZ . PHE A 1 359 ? 10.760 -46.252 -36.032 1.00 40.72 ? 359 PHE A CZ 1 ATOM 2712 N N . LEU A 1 360 ? 6.718 -47.669 -32.697 1.00 36.57 ? 360 LEU A N 1 ATOM 2713 C CA . LEU A 1 360 ? 6.548 -49.101 -32.927 1.00 39.85 ? 360 LEU A CA 1 ATOM 2714 C C . LEU A 1 360 ? 5.162 -49.467 -33.505 1.00 43.66 ? 360 LEU A C 1 ATOM 2715 O O . LEU A 1 360 ? 5.030 -50.376 -34.336 1.00 43.75 ? 360 LEU A O 1 ATOM 2716 C CB . LEU A 1 360 ? 6.834 -49.862 -31.614 1.00 33.88 ? 360 LEU A CB 1 ATOM 2717 C CG . LEU A 1 360 ? 8.297 -49.912 -31.151 1.00 39.07 ? 360 LEU A CG 1 ATOM 2718 C CD1 . LEU A 1 360 ? 8.374 -49.964 -29.667 1.00 36.68 ? 360 LEU A CD1 1 ATOM 2719 C CD2 . LEU A 1 360 ? 9.043 -51.108 -31.723 1.00 46.52 ? 360 LEU A CD2 1 ATOM 2720 N N . ALA A 1 361 ? 4.140 -48.739 -33.067 1.00 42.15 ? 361 ALA A N 1 ATOM 2721 C CA . ALA A 1 361 ? 2.766 -49.013 -33.458 1.00 43.80 ? 361 ALA A CA 1 ATOM 2722 C C . ALA A 1 361 ? 2.501 -48.588 -34.896 1.00 47.23 ? 361 ALA A C 1 ATOM 2723 O O . ALA A 1 361 ? 1.834 -49.297 -35.654 1.00 47.31 ? 361 ALA A O 1 ATOM 2724 C CB . ALA A 1 361 ? 1.829 -48.283 -32.534 1.00 31.95 ? 361 ALA A CB 1 ATOM 2725 N N . GLY A 1 362 ? 3.018 -47.413 -35.251 1.00 47.75 ? 362 GLY A N 1 ATOM 2726 C CA . GLY A 1 362 ? 2.791 -46.812 -36.552 1.00 43.63 ? 362 GLY A CA 1 ATOM 2727 C C . GLY A 1 362 ? 3.586 -47.482 -37.650 1.00 41.53 ? 362 GLY A C 1 ATOM 2728 O O . GLY A 1 362 ? 3.211 -47.424 -38.816 1.00 44.01 ? 362 GLY A O 1 ATOM 2729 N N . VAL A 1 363 ? 4.691 -48.116 -37.280 1.00 35.42 ? 363 VAL A N 1 ATOM 2730 C CA . VAL A 1 363 ? 5.430 -48.931 -38.217 1.00 26.35 ? 363 VAL A CA 1 ATOM 2731 C C . VAL A 1 363 ? 4.508 -49.986 -38.803 1.00 33.89 ? 363 VAL A C 1 ATOM 2732 O O . VAL A 1 363 ? 4.620 -50.324 -39.971 1.00 36.47 ? 363 VAL A O 1 ATOM 2733 C CB . VAL A 1 363 ? 6.644 -49.577 -37.555 1.00 38.93 ? 363 VAL A CB 1 ATOM 2734 C CG1 . VAL A 1 363 ? 6.988 -50.903 -38.209 1.00 27.15 ? 363 VAL A CG1 1 ATOM 2735 C CG2 . VAL A 1 363 ? 7.817 -48.623 -37.591 1.00 27.37 ? 363 VAL A CG2 1 ATOM 2736 N N . ARG A 1 364 ? 3.562 -50.474 -38.010 1.00 36.08 ? 364 ARG A N 1 ATOM 2737 C CA . ARG A 1 364 ? 2.622 -51.489 -38.483 1.00 37.12 ? 364 ARG A CA 1 ATOM 2738 C C . ARG A 1 364 ? 1.523 -50.904 -39.362 1.00 43.35 ? 364 ARG A C 1 ATOM 2739 O O . ARG A 1 364 ? 0.800 -51.632 -40.057 1.00 50.35 ? 364 ARG A O 1 ATOM 2740 C CB . ARG A 1 364 ? 1.995 -52.212 -37.305 1.00 36.92 ? 364 ARG A CB 1 ATOM 2741 C CG . ARG A 1 364 ? 3.000 -52.962 -36.493 1.00 52.50 ? 364 ARG A CG 1 ATOM 2742 C CD . ARG A 1 364 ? 3.694 -53.990 -37.350 1.00 61.46 ? 364 ARG A CD 1 ATOM 2743 N NE . ARG A 1 364 ? 3.460 -55.343 -36.850 1.00 75.46 ? 364 ARG A NE 1 ATOM 2744 C CZ . ARG A 1 364 ? 3.253 -56.397 -37.633 1.00 85.12 ? 364 ARG A CZ 1 ATOM 2745 N NH1 . ARG A 1 364 ? 3.247 -56.249 -38.957 1.00 91.66 ? 364 ARG A NH1 1 ATOM 2746 N NH2 . ARG A 1 364 ? 3.051 -57.595 -37.094 1.00 83.12 ? 364 ARG A NH2 1 ATOM 2747 N N . VAL A 1 365 ? 1.397 -49.585 -39.319 1.00 35.69 ? 365 VAL A N 1 ATOM 2748 C CA . VAL A 1 365 ? 0.348 -48.905 -40.051 1.00 35.33 ? 365 VAL A CA 1 ATOM 2749 C C . VAL A 1 365 ? 0.918 -48.343 -41.348 1.00 46.56 ? 365 VAL A C 1 ATOM 2750 O O . VAL A 1 365 ? 0.289 -48.450 -42.406 1.00 57.95 ? 365 VAL A O 1 ATOM 2751 C CB . VAL A 1 365 ? -0.318 -47.811 -39.181 1.00 30.10 ? 365 VAL A CB 1 ATOM 2752 C CG1 . VAL A 1 365 ? -0.930 -46.721 -40.036 1.00 34.74 ? 365 VAL A CG1 1 ATOM 2753 C CG2 . VAL A 1 365 ? -1.371 -48.429 -38.278 1.00 28.64 ? 365 VAL A CG2 1 ATOM 2754 N N . GLY A 1 366 ? 2.122 -47.775 -41.263 1.00 38.31 ? 366 GLY A N 1 ATOM 2755 C CA . GLY A 1 366 ? 2.817 -47.230 -42.418 1.00 31.92 ? 366 GLY A CA 1 ATOM 2756 C C . GLY A 1 366 ? 3.316 -48.320 -43.350 1.00 40.05 ? 366 GLY A C 1 ATOM 2757 O O . GLY A 1 366 ? 3.429 -48.116 -44.563 1.00 51.14 ? 366 GLY A O 1 ATOM 2758 N N . VAL A 1 367 ? 3.611 -49.483 -42.776 1.00 33.71 ? 367 VAL A N 1 ATOM 2759 C CA . VAL A 1 367 ? 4.012 -50.656 -43.539 1.00 35.36 ? 367 VAL A CA 1 ATOM 2760 C C . VAL A 1 367 ? 3.026 -51.780 -43.259 1.00 42.33 ? 367 VAL A C 1 ATOM 2761 O O . VAL A 1 367 ? 3.193 -52.544 -42.302 1.00 49.34 ? 367 VAL A O 1 ATOM 2762 C CB . VAL A 1 367 ? 5.415 -51.137 -43.151 1.00 36.37 ? 367 VAL A CB 1 ATOM 2763 C CG1 . VAL A 1 367 ? 5.857 -52.263 -44.073 1.00 37.66 ? 367 VAL A CG1 1 ATOM 2764 C CG2 . VAL A 1 367 ? 6.390 -49.994 -43.218 1.00 33.85 ? 367 VAL A CG2 1 ATOM 2765 N N . PRO A 1 368 ? 1.997 -51.891 -44.107 1.00 36.51 ? 368 PRO A N 1 ATOM 2766 C CA . PRO A 1 368 ? 0.878 -52.804 -43.906 1.00 34.66 ? 368 PRO A CA 1 ATOM 2767 C C . PRO A 1 368 ? 1.273 -54.207 -44.287 1.00 37.59 ? 368 PRO A C 1 ATOM 2768 O O . PRO A 1 368 ? 2.245 -54.366 -45.043 1.00 22.88 ? 368 PRO A O 1 ATOM 2769 C CB . PRO A 1 368 ? -0.129 -52.303 -44.917 1.00 29.11 ? 368 PRO A CB 1 ATOM 2770 C CG . PRO A 1 368 ? 0.710 -51.849 -46.022 1.00 23.83 ? 368 PRO A CG 1 ATOM 2771 C CD . PRO A 1 368 ? 1.904 -51.212 -45.405 1.00 28.28 ? 368 PRO A CD 1 ATOM 2772 N N . GLN A 1 369 ? 0.545 -55.190 -43.751 1.00 53.73 ? 369 GLN A N 1 ATOM 2773 C CA . GLN A 1 369 ? 0.647 -56.572 -44.198 1.00 71.87 ? 369 GLN A CA 1 ATOM 2774 C C . GLN A 1 369 ? 2.092 -57.062 -44.178 1.00 67.98 ? 369 GLN A C 1 ATOM 2775 O O . GLN A 1 369 ? 2.663 -57.390 -45.217 1.00 66.10 ? 369 GLN A O 1 ATOM 2776 C CB . GLN A 1 369 ? 0.085 -56.683 -45.619 1.00 93.05 ? 369 GLN A CB 1 ATOM 2777 C CG . GLN A 1 369 ? -0.135 -58.097 -46.130 1.00 107.65 ? 369 GLN A CG 1 ATOM 2778 C CD . GLN A 1 369 ? -0.189 -58.157 -47.648 1.00 115.21 ? 369 GLN A CD 1 ATOM 2779 O OE1 . GLN A 1 369 ? 0.250 -57.229 -48.337 1.00 115.37 ? 369 GLN A OE1 1 ATOM 2780 N NE2 . GLN A 1 369 ? -0.731 -59.253 -48.178 1.00 118.53 ? 369 GLN A NE2 1 ATOM 2781 N N . VAL A 1 370 ? 2.697 -57.081 -43.001 1.00 62.06 ? 370 VAL A N 1 ATOM 2782 C CA . VAL A 1 370 ? 4.056 -57.577 -42.879 1.00 53.49 ? 370 VAL A CA 1 ATOM 2783 C C . VAL A 1 370 ? 4.116 -58.376 -41.604 1.00 62.83 ? 370 VAL A C 1 ATOM 2784 O O . VAL A 1 370 ? 3.504 -57.991 -40.611 1.00 73.33 ? 370 VAL A O 1 ATOM 2785 C CB . VAL A 1 370 ? 5.088 -56.427 -42.828 1.00 43.45 ? 370 VAL A CB 1 ATOM 2786 C CG1 . VAL A 1 370 ? 5.294 -55.844 -44.214 1.00 39.45 ? 370 VAL A CG1 1 ATOM 2787 C CG2 . VAL A 1 370 ? 4.653 -55.329 -41.831 1.00 33.66 ? 370 VAL A CG2 1 ATOM 2788 N N . SER A 1 371 ? 4.832 -59.495 -41.631 1.00 61.27 ? 371 SER A N 1 ATOM 2789 C CA . SER A 1 371 ? 4.997 -60.330 -40.441 1.00 55.39 ? 371 SER A CA 1 ATOM 2790 C C . SER A 1 371 ? 5.676 -59.558 -39.321 1.00 53.03 ? 371 SER A C 1 ATOM 2791 O O . SER A 1 371 ? 6.293 -58.512 -39.559 1.00 44.23 ? 371 SER A O 1 ATOM 2792 C CB . SER A 1 371 ? 5.846 -61.553 -40.772 1.00 60.92 ? 371 SER A CB 1 ATOM 2793 O OG . SER A 1 371 ? 7.102 -61.151 -41.301 1.00 61.08 ? 371 SER A OG 1 ATOM 2794 N N . ASP A 1 372 ? 5.565 -60.087 -38.104 1.00 60.44 ? 372 ASP A N 1 ATOM 2795 C CA . ASP A 1 372 ? 6.216 -59.512 -36.928 1.00 53.42 ? 372 ASP A CA 1 ATOM 2796 C C . ASP A 1 372 ? 7.705 -59.300 -37.177 1.00 54.17 ? 372 ASP A C 1 ATOM 2797 O O . ASP A 1 372 ? 8.221 -58.189 -37.000 1.00 47.94 ? 372 ASP A O 1 ATOM 2798 C CB . ASP A 1 372 ? 6.027 -60.423 -35.715 1.00 57.97 ? 372 ASP A CB 1 ATOM 2799 C CG . ASP A 1 372 ? 4.634 -60.331 -35.125 1.00 59.87 ? 372 ASP A CG 1 ATOM 2800 O OD1 . ASP A 1 372 ? 3.760 -59.747 -35.800 1.00 58.56 ? 372 ASP A OD1 1 ATOM 2801 O OD2 . ASP A 1 372 ? 4.416 -60.842 -33.994 1.00 56.06 ? 372 ASP A OD2 1 ATOM 2802 N N . LEU A 1 373 ? 8.385 -60.362 -37.610 1.00 58.03 ? 373 LEU A N 1 ATOM 2803 C CA . LEU A 1 373 ? 9.827 -60.308 -37.830 1.00 33.31 ? 373 LEU A CA 1 ATOM 2804 C C . LEU A 1 373 ? 10.219 -59.215 -38.818 1.00 46.69 ? 373 LEU A C 1 ATOM 2805 O O . LEU A 1 373 ? 11.329 -58.685 -38.765 1.00 43.11 ? 373 LEU A O 1 ATOM 2806 C CB . LEU A 1 373 ? 10.364 -61.658 -38.300 1.00 34.12 ? 373 LEU A CB 1 ATOM 2807 C CG . LEU A 1 373 ? 11.891 -61.771 -38.346 1.00 52.86 ? 373 LEU A CG 1 ATOM 2808 C CD1 . LEU A 1 373 ? 12.487 -61.307 -37.035 1.00 35.85 ? 373 LEU A CD1 1 ATOM 2809 C CD2 . LEU A 1 373 ? 12.371 -63.183 -38.655 1.00 35.87 ? 373 LEU A CD2 1 ATOM 2810 N N . ALA A 1 374 ? 9.306 -58.873 -39.722 1.00 45.82 ? 374 ALA A N 1 ATOM 2811 C CA . ALA A 1 374 ? 9.612 -57.893 -40.750 1.00 39.69 ? 374 ALA A CA 1 ATOM 2812 C C . ALA A 1 374 ? 9.598 -56.494 -40.154 1.00 41.47 ? 374 ALA A C 1 ATOM 2813 O O . ALA A 1 374 ? 10.496 -55.691 -40.422 1.00 39.02 ? 374 ALA A O 1 ATOM 2814 C CB . ALA A 1 374 ? 8.645 -58.013 -41.910 1.00 35.26 ? 374 ALA A CB 1 ATOM 2815 N N . ALA A 1 375 ? 8.600 -56.209 -39.321 1.00 38.64 ? 375 ALA A N 1 ATOM 2816 C CA . ALA A 1 375 ? 8.524 -54.902 -38.677 1.00 39.32 ? 375 ALA A CA 1 ATOM 2817 C C . ALA A 1 375 ? 9.656 -54.696 -37.659 1.00 42.42 ? 375 ALA A C 1 ATOM 2818 O O . ALA A 1 375 ? 10.060 -53.564 -37.366 1.00 29.79 ? 375 ALA A O 1 ATOM 2819 C CB . ALA A 1 375 ? 7.182 -54.706 -38.039 1.00 28.88 ? 375 ALA A CB 1 ATOM 2820 N N . GLU A 1 376 ? 10.172 -55.800 -37.131 1.00 43.48 ? 376 GLU A N 1 ATOM 2821 C CA . GLU A 1 376 ? 11.355 -55.758 -36.277 1.00 48.08 ? 376 GLU A CA 1 ATOM 2822 C C . GLU A 1 376 ? 12.535 -55.203 -37.053 1.00 43.19 ? 376 GLU A C 1 ATOM 2823 O O . GLU A 1 376 ? 13.347 -54.443 -36.532 1.00 46.61 ? 376 GLU A O 1 ATOM 2824 C CB . GLU A 1 376 ? 11.700 -57.163 -35.802 1.00 59.22 ? 376 GLU A CB 1 ATOM 2825 C CG . GLU A 1 376 ? 12.255 -57.192 -34.416 1.00 75.20 ? 376 GLU A CG 1 ATOM 2826 C CD . GLU A 1 376 ? 11.224 -56.775 -33.401 1.00 85.20 ? 376 GLU A CD 1 ATOM 2827 O OE1 . GLU A 1 376 ? 10.041 -57.146 -33.587 1.00 78.01 ? 376 GLU A OE1 1 ATOM 2828 O OE2 . GLU A 1 376 ? 11.596 -56.078 -32.427 1.00 96.05 ? 376 GLU A OE2 1 ATOM 2829 N N . ALA A 1 377 ? 12.607 -55.612 -38.314 1.00 42.96 ? 377 ALA A N 1 ATOM 2830 C CA . ALA A 1 377 ? 13.659 -55.223 -39.230 1.00 35.22 ? 377 ALA A CA 1 ATOM 2831 C C . ALA A 1 377 ? 13.527 -53.768 -39.619 1.00 37.03 ? 377 ALA A C 1 ATOM 2832 O O . ALA A 1 377 ? 14.531 -53.084 -39.803 1.00 43.67 ? 377 ALA A O 1 ATOM 2833 C CB . ALA A 1 377 ? 13.598 -56.088 -40.458 1.00 34.18 ? 377 ALA A CB 1 ATOM 2834 N N . VAL A 1 378 ? 12.291 -53.296 -39.759 1.00 34.39 ? 378 VAL A N 1 ATOM 2835 C CA . VAL A 1 378 ? 12.069 -51.889 -40.072 1.00 35.60 ? 378 VAL A CA 1 ATOM 2836 C C . VAL A 1 378 ? 12.482 -51.032 -38.897 1.00 36.99 ? 378 VAL A C 1 ATOM 2837 O O . VAL A 1 378 ? 13.144 -50.007 -39.061 1.00 39.10 ? 378 VAL A O 1 ATOM 2838 C CB . VAL A 1 378 ? 10.613 -51.596 -40.386 1.00 34.11 ? 378 VAL A CB 1 ATOM 2839 C CG1 . VAL A 1 378 ? 10.456 -50.138 -40.858 1.00 29.47 ? 378 VAL A CG1 1 ATOM 2840 C CG2 . VAL A 1 378 ? 10.119 -52.566 -41.437 1.00 37.40 ? 378 VAL A CG2 1 ATOM 2841 N N . VAL A 1 379 ? 12.093 -51.466 -37.708 1.00 36.26 ? 379 VAL A N 1 ATOM 2842 C CA . VAL A 1 379 ? 12.509 -50.791 -36.492 1.00 35.61 ? 379 VAL A CA 1 ATOM 2843 C C . VAL A 1 379 ? 14.019 -50.749 -36.376 1.00 34.90 ? 379 VAL A C 1 ATOM 2844 O O . VAL A 1 379 ? 14.587 -49.692 -36.125 1.00 37.95 ? 379 VAL A O 1 ATOM 2845 C CB . VAL A 1 379 ? 11.972 -51.484 -35.247 1.00 35.26 ? 379 VAL A CB 1 ATOM 2846 C CG1 . VAL A 1 379 ? 12.684 -50.953 -34.020 1.00 40.59 ? 379 VAL A CG1 1 ATOM 2847 C CG2 . VAL A 1 379 ? 10.466 -51.290 -35.136 1.00 33.88 ? 379 VAL A CG2 1 ATOM 2848 N N . LEU A 1 380 ? 14.661 -51.899 -36.555 1.00 38.96 ? 380 LEU A N 1 ATOM 2849 C CA . LEU A 1 380 ? 16.098 -51.991 -36.360 1.00 42.48 ? 380 LEU A CA 1 ATOM 2850 C C . LEU A 1 380 ? 16.788 -50.920 -37.173 1.00 39.89 ? 380 LEU A C 1 ATOM 2851 O O . LEU A 1 380 ? 17.623 -50.175 -36.657 1.00 33.20 ? 380 LEU A O 1 ATOM 2852 C CB . LEU A 1 380 ? 16.622 -53.361 -36.769 1.00 33.46 ? 380 LEU A CB 1 ATOM 2853 C CG . LEU A 1 380 ? 18.143 -53.382 -36.876 1.00 34.37 ? 380 LEU A CG 1 ATOM 2854 C CD1 . LEU A 1 380 ? 18.782 -53.100 -35.546 1.00 36.04 ? 380 LEU A CD1 1 ATOM 2855 C CD2 . LEU A 1 380 ? 18.620 -54.695 -37.408 1.00 34.75 ? 380 LEU A CD2 1 ATOM 2856 N N . HIS A 1 381 ? 16.388 -50.819 -38.439 1.00 43.96 ? 381 HIS A N 1 ATOM 2857 C CA . HIS A 1 381 ? 17.052 -49.939 -39.398 1.00 42.22 ? 381 HIS A CA 1 ATOM 2858 C C . HIS A 1 381 ? 16.738 -48.466 -39.167 1.00 36.43 ? 381 HIS A C 1 ATOM 2859 O O . HIS A 1 381 ? 17.617 -47.607 -39.277 1.00 32.81 ? 381 HIS A O 1 ATOM 2860 C CB . HIS A 1 381 ? 16.694 -50.324 -40.839 1.00 34.10 ? 381 HIS A CB 1 ATOM 2861 C CG . HIS A 1 381 ? 17.350 -49.450 -41.864 1.00 43.03 ? 381 HIS A CG 1 ATOM 2862 N ND1 . HIS A 1 381 ? 18.644 -49.654 -42.298 1.00 47.12 ? 381 HIS A ND1 1 ATOM 2863 C CD2 . HIS A 1 381 ? 16.904 -48.345 -42.513 1.00 43.84 ? 381 HIS A CD2 1 ATOM 2864 C CE1 . HIS A 1 381 ? 18.961 -48.717 -43.176 1.00 50.84 ? 381 HIS A CE1 1 ATOM 2865 N NE2 . HIS A 1 381 ? 17.924 -47.911 -43.324 1.00 27.38 ? 381 HIS A NE2 1 ATOM 2866 N N . TYR A 1 382 ? 15.485 -48.185 -38.831 1.00 30.44 ? 382 TYR A N 1 ATOM 2867 C CA . TYR A 1 382 ? 15.021 -46.811 -38.726 1.00 32.90 ? 382 TYR A CA 1 ATOM 2868 C C . TYR A 1 382 ? 15.090 -46.268 -37.311 1.00 38.90 ? 382 TYR A C 1 ATOM 2869 O O . TYR A 1 382 ? 14.516 -45.226 -37.007 1.00 44.30 ? 382 TYR A O 1 ATOM 2870 C CB . TYR A 1 382 ? 13.601 -46.691 -39.268 1.00 33.13 ? 382 TYR A CB 1 ATOM 2871 C CG . TYR A 1 382 ? 13.545 -46.601 -40.774 1.00 29.27 ? 382 TYR A CG 1 ATOM 2872 C CD1 . TYR A 1 382 ? 13.457 -47.743 -41.557 1.00 28.68 ? 382 TYR A CD1 1 ATOM 2873 C CD2 . TYR A 1 382 ? 13.601 -45.376 -41.409 1.00 38.30 ? 382 TYR A CD2 1 ATOM 2874 C CE1 . TYR A 1 382 ? 13.420 -47.666 -42.929 1.00 32.30 ? 382 TYR A CE1 1 ATOM 2875 C CE2 . TYR A 1 382 ? 13.558 -45.286 -42.785 1.00 49.42 ? 382 TYR A CE2 1 ATOM 2876 C CZ . TYR A 1 382 ? 13.463 -46.435 -43.542 1.00 46.15 ? 382 TYR A CZ 1 ATOM 2877 O OH . TYR A 1 382 ? 13.411 -46.341 -44.918 1.00 50.18 ? 382 TYR A OH 1 ATOM 2878 N N . THR A 1 383 ? 15.796 -46.973 -36.443 1.00 31.72 ? 383 THR A N 1 ATOM 2879 C CA . THR A 1 383 ? 15.989 -46.479 -35.106 1.00 33.17 ? 383 THR A CA 1 ATOM 2880 C C . THR A 1 383 ? 17.408 -46.001 -34.962 1.00 57.45 ? 383 THR A C 1 ATOM 2881 O O . THR A 1 383 ? 18.360 -46.721 -35.281 1.00 34.58 ? 383 THR A O 1 ATOM 2882 C CB . THR A 1 383 ? 15.707 -47.570 -34.069 1.00 40.96 ? 383 THR A CB 1 ATOM 2883 O OG1 . THR A 1 383 ? 14.401 -48.107 -34.308 1.00 36.82 ? 383 THR A OG1 1 ATOM 2884 C CG2 . THR A 1 383 ? 15.796 -47.016 -32.630 1.00 35.79 ? 383 THR A CG2 1 ATOM 2885 N N . ASP A 1 384 ? 17.546 -44.762 -34.512 1.00 34.79 ? 384 ASP A N 1 ATOM 2886 C CA . ASP A 1 384 ? 18.814 -44.339 -33.958 1.00 36.31 ? 384 ASP A CA 1 ATOM 2887 C C . ASP A 1 384 ? 18.948 -45.001 -32.595 1.00 43.71 ? 384 ASP A C 1 ATOM 2888 O O . ASP A 1 384 ? 18.200 -44.705 -31.656 1.00 42.26 ? 384 ASP A O 1 ATOM 2889 C CB . ASP A 1 384 ? 18.905 -42.829 -33.803 1.00 56.88 ? 384 ASP A CB 1 ATOM 2890 C CG . ASP A 1 384 ? 20.320 -42.369 -33.506 1.00 60.03 ? 384 ASP A CG 1 ATOM 2891 O OD1 . ASP A 1 384 ? 21.145 -43.211 -33.100 1.00 39.20 ? 384 ASP A OD1 1 ATOM 2892 O OD2 . ASP A 1 384 ? 20.615 -41.172 -33.689 1.00 65.51 ? 384 ASP A OD2 1 ATOM 2893 N N . TRP A 1 385 ? 19.913 -45.902 -32.496 1.00 41.83 ? 385 TRP A N 1 ATOM 2894 C CA . TRP A 1 385 ? 20.068 -46.702 -31.307 1.00 46.35 ? 385 TRP A CA 1 ATOM 2895 C C . TRP A 1 385 ? 20.889 -45.962 -30.261 1.00 47.71 ? 385 TRP A C 1 ATOM 2896 O O . TRP A 1 385 ? 21.173 -46.490 -29.182 1.00 43.79 ? 385 TRP A O 1 ATOM 2897 C CB . TRP A 1 385 ? 20.649 -48.059 -31.681 1.00 40.44 ? 385 TRP A CB 1 ATOM 2898 C CG . TRP A 1 385 ? 19.650 -48.864 -32.411 1.00 38.92 ? 385 TRP A CG 1 ATOM 2899 C CD1 . TRP A 1 385 ? 19.648 -49.159 -33.736 1.00 52.86 ? 385 TRP A CD1 1 ATOM 2900 C CD2 . TRP A 1 385 ? 18.456 -49.433 -31.870 1.00 42.33 ? 385 TRP A CD2 1 ATOM 2901 N NE1 . TRP A 1 385 ? 18.543 -49.908 -34.052 1.00 54.25 ? 385 TRP A NE1 1 ATOM 2902 C CE2 . TRP A 1 385 ? 17.796 -50.091 -32.921 1.00 50.07 ? 385 TRP A CE2 1 ATOM 2903 C CE3 . TRP A 1 385 ? 17.891 -49.464 -30.591 1.00 39.92 ? 385 TRP A CE3 1 ATOM 2904 C CZ2 . TRP A 1 385 ? 16.597 -50.772 -32.737 1.00 55.68 ? 385 TRP A CZ2 1 ATOM 2905 C CZ3 . TRP A 1 385 ? 16.708 -50.140 -30.407 1.00 45.92 ? 385 TRP A CZ3 1 ATOM 2906 C CH2 . TRP A 1 385 ? 16.070 -50.787 -31.474 1.00 54.79 ? 385 TRP A CH2 1 ATOM 2907 N N . LEU A 1 386 ? 21.236 -44.720 -30.583 1.00 48.81 ? 386 LEU A N 1 ATOM 2908 C CA . LEU A 1 386 ? 21.901 -43.829 -29.640 1.00 53.93 ? 386 LEU A CA 1 ATOM 2909 C C . LEU A 1 386 ? 20.854 -42.920 -28.996 1.00 59.09 ? 386 LEU A C 1 ATOM 2910 O O . LEU A 1 386 ? 21.044 -42.422 -27.877 1.00 65.15 ? 386 LEU A O 1 ATOM 2911 C CB . LEU A 1 386 ? 22.982 -43.013 -30.350 1.00 51.35 ? 386 LEU A CB 1 ATOM 2912 C CG . LEU A 1 386 ? 24.034 -42.290 -29.513 1.00 53.87 ? 386 LEU A CG 1 ATOM 2913 C CD1 . LEU A 1 386 ? 24.632 -43.230 -28.470 1.00 55.97 ? 386 LEU A CD1 1 ATOM 2914 C CD2 . LEU A 1 386 ? 25.123 -41.719 -30.415 1.00 46.29 ? 386 LEU A CD2 1 ATOM 2915 N N . HIS A 1 387 ? 19.741 -42.732 -29.709 1.00 56.13 ? 387 HIS A N 1 ATOM 2916 C CA . HIS A 1 387 ? 18.590 -41.984 -29.200 1.00 55.64 ? 387 HIS A CA 1 ATOM 2917 C C . HIS A 1 387 ? 17.275 -42.697 -29.525 1.00 50.83 ? 387 HIS A C 1 ATOM 2918 O O . HIS A 1 387 ? 16.478 -42.189 -30.306 1.00 48.98 ? 387 HIS A O 1 ATOM 2919 C CB . HIS A 1 387 ? 18.569 -40.570 -29.794 1.00 54.40 ? 387 HIS A CB 1 ATOM 2920 C CG . HIS A 1 387 ? 19.889 -39.862 -29.721 1.00 52.64 ? 387 HIS A CG 1 ATOM 2921 N ND1 . HIS A 1 387 ? 20.875 -40.025 -30.670 1.00 47.47 ? 387 HIS A ND1 1 ATOM 2922 C CD2 . HIS A 1 387 ? 20.388 -38.993 -28.810 1.00 53.56 ? 387 HIS A CD2 1 ATOM 2923 C CE1 . HIS A 1 387 ? 21.922 -39.287 -30.349 1.00 47.10 ? 387 HIS A CE1 1 ATOM 2924 N NE2 . HIS A 1 387 ? 21.653 -38.650 -29.225 1.00 50.60 ? 387 HIS A NE2 1 ATOM 2925 N N . PRO A 1 388 ? 17.043 -43.873 -28.924 1.00 41.05 ? 388 PRO A N 1 ATOM 2926 C CA . PRO A 1 388 ? 15.878 -44.685 -29.280 1.00 56.06 ? 388 PRO A CA 1 ATOM 2927 C C . PRO A 1 388 ? 14.569 -44.050 -28.851 1.00 53.70 ? 388 PRO A C 1 ATOM 2928 O O . PRO A 1 388 ? 13.519 -44.377 -29.400 1.00 51.17 ? 388 PRO A O 1 ATOM 2929 C CB . PRO A 1 388 ? 16.096 -45.976 -28.480 1.00 41.00 ? 388 PRO A CB 1 ATOM 2930 C CG . PRO A 1 388 ? 17.536 -45.985 -28.142 1.00 42.37 ? 388 PRO A CG 1 ATOM 2931 C CD . PRO A 1 388 ? 17.884 -44.552 -27.931 1.00 42.89 ? 388 PRO A CD 1 ATOM 2932 N N . GLU A 1 389 ? 14.631 -43.158 -27.871 1.00 52.08 ? 389 GLU A N 1 ATOM 2933 C CA . GLU A 1 389 ? 13.419 -42.622 -27.267 1.00 45.80 ? 389 GLU A CA 1 ATOM 2934 C C . GLU A 1 389 ? 13.091 -41.239 -27.798 1.00 43.64 ? 389 GLU A C 1 ATOM 2935 O O . GLU A 1 389 ? 11.988 -40.757 -27.591 1.00 40.43 ? 389 GLU A O 1 ATOM 2936 C CB . GLU A 1 389 ? 13.552 -42.573 -25.740 1.00 50.74 ? 389 GLU A CB 1 ATOM 2937 C CG . GLU A 1 389 ? 14.013 -43.879 -25.079 1.00 61.83 ? 389 GLU A CG 1 ATOM 2938 C CD . GLU A 1 389 ? 12.935 -44.961 -25.036 1.00 69.89 ? 389 GLU A CD 1 ATOM 2939 O OE1 . GLU A 1 389 ? 11.738 -44.622 -24.895 1.00 72.85 ? 389 GLU A OE1 1 ATOM 2940 O OE2 . GLU A 1 389 ? 13.291 -46.158 -25.145 1.00 69.23 ? 389 GLU A OE2 1 ATOM 2941 N N . ASP A 1 390 ? 14.048 -40.612 -28.483 1.00 48.33 ? 390 ASP A N 1 ATOM 2942 C CA . ASP A 1 390 ? 13.917 -39.221 -28.936 1.00 52.56 ? 390 ASP A CA 1 ATOM 2943 C C . ASP A 1 390 ? 12.716 -39.023 -29.861 1.00 55.48 ? 390 ASP A C 1 ATOM 2944 O O . ASP A 1 390 ? 12.696 -39.536 -30.977 1.00 59.22 ? 390 ASP A O 1 ATOM 2945 C CB . ASP A 1 390 ? 15.208 -38.760 -29.624 1.00 54.59 ? 390 ASP A CB 1 ATOM 2946 C CG . ASP A 1 390 ? 15.198 -37.267 -29.985 1.00 58.09 ? 390 ASP A CG 1 ATOM 2947 O OD1 . ASP A 1 390 ? 14.109 -36.653 -30.079 1.00 57.34 ? 390 ASP A OD1 1 ATOM 2948 O OD2 . ASP A 1 390 ? 16.299 -36.705 -30.189 1.00 57.09 ? 390 ASP A OD2 1 ATOM 2949 N N . PRO A 1 391 ? 11.715 -38.255 -29.398 1.00 53.73 ? 391 PRO A N 1 ATOM 2950 C CA . PRO A 1 391 ? 10.435 -38.124 -30.103 1.00 55.74 ? 391 PRO A CA 1 ATOM 2951 C C . PRO A 1 391 ? 10.511 -37.437 -31.464 1.00 50.52 ? 391 PRO A C 1 ATOM 2952 O O . PRO A 1 391 ? 9.796 -37.853 -32.372 1.00 46.18 ? 391 PRO A O 1 ATOM 2953 C CB . PRO A 1 391 ? 9.586 -37.317 -29.121 1.00 38.46 ? 391 PRO A CB 1 ATOM 2954 C CG . PRO A 1 391 ? 10.165 -37.662 -27.798 1.00 40.28 ? 391 PRO A CG 1 ATOM 2955 C CD . PRO A 1 391 ? 11.637 -37.681 -28.049 1.00 54.56 ? 391 PRO A CD 1 ATOM 2956 N N . ALA A 1 392 ? 11.350 -36.418 -31.607 1.00 51.78 ? 392 ALA A N 1 ATOM 2957 C CA . ALA A 1 392 ? 11.505 -35.754 -32.900 1.00 48.47 ? 392 ALA A CA 1 ATOM 2958 C C . ALA A 1 392 ? 12.173 -36.685 -33.891 1.00 47.48 ? 392 ALA A C 1 ATOM 2959 O O . ALA A 1 392 ? 11.852 -36.679 -35.073 1.00 48.82 ? 392 ALA A O 1 ATOM 2960 C CB . ALA A 1 392 ? 12.313 -34.474 -32.765 1.00 54.10 ? 392 ALA A CB 1 ATOM 2961 N N . ARG A 1 393 ? 13.117 -37.480 -33.403 1.00 50.36 ? 393 ARG A N 1 ATOM 2962 C CA . ARG A 1 393 ? 13.825 -38.398 -34.268 1.00 33.93 ? 393 ARG A CA 1 ATOM 2963 C C . ARG A 1 393 ? 12.905 -39.543 -34.679 1.00 43.96 ? 393 ARG A C 1 ATOM 2964 O O . ARG A 1 393 ? 13.062 -40.107 -35.755 1.00 40.34 ? 393 ARG A O 1 ATOM 2965 C CB . ARG A 1 393 ? 15.110 -38.919 -33.609 1.00 35.21 ? 393 ARG A CB 1 ATOM 2966 C CG . ARG A 1 393 ? 16.266 -37.917 -33.486 1.00 36.41 ? 393 ARG A CG 1 ATOM 2967 C CD . ARG A 1 393 ? 17.557 -38.638 -33.052 1.00 66.11 ? 393 ARG A CD 1 ATOM 2968 N NE . ARG A 1 393 ? 18.526 -37.791 -32.342 1.00 65.28 ? 393 ARG A NE 1 ATOM 2969 C CZ . ARG A 1 393 ? 19.747 -37.506 -32.795 1.00 70.01 ? 393 ARG A CZ 1 ATOM 2970 N NH1 . ARG A 1 393 ? 20.154 -37.991 -33.964 1.00 80.00 ? 393 ARG A NH1 1 ATOM 2971 N NH2 . ARG A 1 393 ? 20.564 -36.734 -32.090 1.00 66.36 ? 393 ARG A NH2 1 ATOM 2972 N N . LEU A 1 394 ? 11.938 -39.882 -33.834 1.00 50.72 ? 394 LEU A N 1 ATOM 2973 C CA . LEU A 1 394 ? 11.040 -40.995 -34.140 1.00 55.36 ? 394 LEU A CA 1 ATOM 2974 C C . LEU A 1 394 ? 9.961 -40.551 -35.104 1.00 57.25 ? 394 LEU A C 1 ATOM 2975 O O . LEU A 1 394 ? 9.401 -41.358 -35.843 1.00 56.38 ? 394 LEU A O 1 ATOM 2976 C CB . LEU A 1 394 ? 10.397 -41.552 -32.872 1.00 46.27 ? 394 LEU A CB 1 ATOM 2977 C CG . LEU A 1 394 ? 11.352 -42.216 -31.897 1.00 43.68 ? 394 LEU A CG 1 ATOM 2978 C CD1 . LEU A 1 394 ? 10.583 -42.524 -30.665 1.00 44.21 ? 394 LEU A CD1 1 ATOM 2979 C CD2 . LEU A 1 394 ? 11.936 -43.464 -32.500 1.00 33.90 ? 394 LEU A CD2 1 ATOM 2980 N N . ARG A 1 395 ? 9.672 -39.256 -35.076 1.00 52.78 ? 395 ARG A N 1 ATOM 2981 C CA . ARG A 1 395 ? 8.684 -38.657 -35.957 1.00 45.04 ? 395 ARG A CA 1 ATOM 2982 C C . ARG A 1 395 ? 9.216 -38.669 -37.390 1.00 42.11 ? 395 ARG A C 1 ATOM 2983 O O . ARG A 1 395 ? 8.603 -39.253 -38.280 1.00 44.76 ? 395 ARG A O 1 ATOM 2984 C CB . ARG A 1 395 ? 8.406 -37.233 -35.497 1.00 45.42 ? 395 ARG A CB 1 ATOM 2985 C CG . ARG A 1 395 ? 7.235 -36.587 -36.137 1.00 30.01 ? 395 ARG A CG 1 ATOM 2986 C CD . ARG A 1 395 ? 7.641 -35.220 -36.614 1.00 39.54 ? 395 ARG A CD 1 ATOM 2987 N NE . ARG A 1 395 ? 7.698 -34.226 -35.553 1.00 43.24 ? 395 ARG A NE 1 ATOM 2988 C CZ . ARG A 1 395 ? 8.736 -33.426 -35.337 1.00 46.23 ? 395 ARG A CZ 1 ATOM 2989 N NH1 . ARG A 1 395 ? 9.809 -33.529 -36.102 1.00 32.40 ? 395 ARG A NH1 1 ATOM 2990 N NH2 . ARG A 1 395 ? 8.701 -32.526 -34.354 1.00 46.32 ? 395 ARG A NH2 1 ATOM 2991 N N . GLU A 1 396 ? 10.367 -38.036 -37.602 1.00 40.09 ? 396 GLU A N 1 ATOM 2992 C CA . GLU A 1 396 ? 11.083 -38.118 -38.868 1.00 43.36 ? 396 GLU A CA 1 ATOM 2993 C C . GLU A 1 396 ? 11.322 -39.547 -39.348 1.00 47.86 ? 396 GLU A C 1 ATOM 2994 O O . GLU A 1 396 ? 11.418 -39.785 -40.553 1.00 56.16 ? 396 GLU A O 1 ATOM 2995 C CB . GLU A 1 396 ? 12.431 -37.404 -38.775 1.00 48.66 ? 396 GLU A CB 1 ATOM 2996 C CG . GLU A 1 396 ? 12.403 -35.988 -39.275 1.00 55.10 ? 396 GLU A CG 1 ATOM 2997 C CD . GLU A 1 396 ? 11.590 -35.105 -38.376 1.00 61.95 ? 396 GLU A CD 1 ATOM 2998 O OE1 . GLU A 1 396 ? 12.119 -34.718 -37.310 1.00 67.28 ? 396 GLU A OE1 1 ATOM 2999 O OE2 . GLU A 1 396 ? 10.427 -34.810 -38.729 1.00 60.40 ? 396 GLU A OE2 1 ATOM 3000 N N . ALA A 1 397 ? 11.435 -40.494 -38.421 1.00 37.13 ? 397 ALA A N 1 ATOM 3001 C CA . ALA A 1 397 ? 11.739 -41.868 -38.801 1.00 30.00 ? 397 ALA A CA 1 ATOM 3002 C C . ALA A 1 397 ? 10.548 -42.554 -39.481 1.00 37.31 ? 397 ALA A C 1 ATOM 3003 O O . ALA A 1 397 ? 10.691 -43.130 -40.561 1.00 35.61 ? 397 ALA A O 1 ATOM 3004 C CB . ALA A 1 397 ? 12.205 -42.658 -37.608 1.00 28.76 ? 397 ALA A CB 1 ATOM 3005 N N . LEU A 1 398 ? 9.374 -42.485 -38.854 1.00 44.63 ? 398 LEU A N 1 ATOM 3006 C CA . LEU A 1 398 ? 8.178 -43.112 -39.405 1.00 35.60 ? 398 LEU A CA 1 ATOM 3007 C C . LEU A 1 398 ? 7.760 -42.400 -40.687 1.00 42.48 ? 398 LEU A C 1 ATOM 3008 O O . LEU A 1 398 ? 7.069 -42.976 -41.528 1.00 57.63 ? 398 LEU A O 1 ATOM 3009 C CB . LEU A 1 398 ? 7.036 -43.102 -38.391 1.00 28.39 ? 398 LEU A CB 1 ATOM 3010 C CG . LEU A 1 398 ? 5.932 -44.098 -38.731 1.00 35.77 ? 398 LEU A CG 1 ATOM 3011 C CD1 . LEU A 1 398 ? 6.494 -45.511 -38.766 1.00 25.62 ? 398 LEU A CD1 1 ATOM 3012 C CD2 . LEU A 1 398 ? 4.773 -43.995 -37.757 1.00 40.87 ? 398 LEU A CD2 1 ATOM 3013 N N . SER A 1 399 ? 8.185 -41.147 -40.834 1.00 30.54 ? 399 SER A N 1 ATOM 3014 C CA . SER A 1 399 ? 7.932 -40.384 -42.048 1.00 30.98 ? 399 SER A CA 1 ATOM 3015 C C . SER A 1 399 ? 8.859 -40.835 -43.189 1.00 37.93 ? 399 SER A C 1 ATOM 3016 O O . SER A 1 399 ? 8.455 -40.881 -44.353 1.00 41.16 ? 399 SER A O 1 ATOM 3017 C CB . SER A 1 399 ? 8.082 -38.887 -41.768 1.00 31.43 ? 399 SER A CB 1 ATOM 3018 O OG . SER A 1 399 ? 8.032 -38.097 -42.947 1.00 37.71 ? 399 SER A OG 1 ATOM 3019 N N . ASP A 1 400 ? 10.104 -41.165 -42.865 1.00 37.07 ? 400 ASP A N 1 ATOM 3020 C CA . ASP A 1 400 ? 10.997 -41.719 -43.875 1.00 34.83 ? 400 ASP A CA 1 ATOM 3021 C C . ASP A 1 400 ? 10.574 -43.147 -44.211 1.00 37.15 ? 400 ASP A C 1 ATOM 3022 O O . ASP A 1 400 ? 10.715 -43.582 -45.339 1.00 48.59 ? 400 ASP A O 1 ATOM 3023 C CB . ASP A 1 400 ? 12.468 -41.669 -43.435 1.00 33.76 ? 400 ASP A CB 1 ATOM 3024 C CG . ASP A 1 400 ? 13.057 -40.259 -43.485 1.00 47.55 ? 400 ASP A CG 1 ATOM 3025 O OD1 . ASP A 1 400 ? 12.675 -39.457 -44.377 1.00 48.71 ? 400 ASP A OD1 1 ATOM 3026 O OD2 . ASP A 1 400 ? 13.915 -39.956 -42.623 1.00 54.46 ? 400 ASP A OD2 1 ATOM 3027 N N . VAL A 1 401 ? 10.048 -43.870 -43.231 1.00 34.28 ? 401 VAL A N 1 ATOM 3028 C CA . VAL A 1 401 ? 9.573 -45.231 -43.460 1.00 33.63 ? 401 VAL A CA 1 ATOM 3029 C C . VAL A 1 401 ? 8.477 -45.220 -44.520 1.00 36.13 ? 401 VAL A C 1 ATOM 3030 O O . VAL A 1 401 ? 8.554 -45.934 -45.526 1.00 36.52 ? 401 VAL A O 1 ATOM 3031 C CB . VAL A 1 401 ? 9.037 -45.882 -42.160 1.00 26.15 ? 401 VAL A CB 1 ATOM 3032 C CG1 . VAL A 1 401 ? 8.135 -47.042 -42.474 1.00 23.04 ? 401 VAL A CG1 1 ATOM 3033 C CG2 . VAL A 1 401 ? 10.175 -46.346 -41.290 1.00 27.85 ? 401 VAL A CG2 1 ATOM 3034 N N . VAL A 1 402 ? 7.468 -44.388 -44.299 1.00 27.43 ? 402 VAL A N 1 ATOM 3035 C CA . VAL A 1 402 ? 6.354 -44.317 -45.225 1.00 31.53 ? 402 VAL A CA 1 ATOM 3036 C C . VAL A 1 402 ? 6.813 -43.798 -46.582 1.00 34.92 ? 402 VAL A C 1 ATOM 3037 O O . VAL A 1 402 ? 6.421 -44.333 -47.617 1.00 38.75 ? 402 VAL A O 1 ATOM 3038 C CB . VAL A 1 402 ? 5.208 -43.472 -44.646 1.00 36.61 ? 402 VAL A CB 1 ATOM 3039 C CG1 . VAL A 1 402 ? 4.177 -43.101 -45.718 1.00 19.96 ? 402 VAL A CG1 1 ATOM 3040 C CG2 . VAL A 1 402 ? 4.564 -44.236 -43.507 1.00 33.26 ? 402 VAL A CG2 1 ATOM 3041 N N . GLY A 1 403 ? 7.662 -42.773 -46.569 1.00 35.17 ? 403 GLY A N 1 ATOM 3042 C CA . GLY A 1 403 ? 8.219 -42.212 -47.790 1.00 24.52 ? 403 GLY A CA 1 ATOM 3043 C C . GLY A 1 403 ? 9.059 -43.225 -48.546 1.00 28.44 ? 403 GLY A C 1 ATOM 3044 O O . GLY A 1 403 ? 8.801 -43.488 -49.715 1.00 39.37 ? 403 GLY A O 1 ATOM 3045 N N . ASP A 1 404 ? 10.053 -43.810 -47.884 1.00 25.27 ? 404 ASP A N 1 ATOM 3046 C CA . ASP A 1 404 ? 10.948 -44.766 -48.542 1.00 35.54 ? 404 ASP A CA 1 ATOM 3047 C C . ASP A 1 404 ? 10.226 -45.999 -49.130 1.00 39.59 ? 404 ASP A C 1 ATOM 3048 O O . ASP A 1 404 ? 10.593 -46.504 -50.194 1.00 32.04 ? 404 ASP A O 1 ATOM 3049 C CB . ASP A 1 404 ? 12.075 -45.215 -47.595 1.00 37.59 ? 404 ASP A CB 1 ATOM 3050 C CG . ASP A 1 404 ? 12.958 -44.059 -47.123 1.00 39.11 ? 404 ASP A CG 1 ATOM 3051 O OD1 . ASP A 1 404 ? 12.773 -42.907 -47.583 1.00 38.34 ? 404 ASP A OD1 1 ATOM 3052 O OD2 . ASP A 1 404 ? 13.845 -44.311 -46.277 1.00 35.55 ? 404 ASP A OD2 1 ATOM 3053 N N . HIS A 1 405 ? 9.204 -46.480 -48.432 1.00 43.07 ? 405 HIS A N 1 ATOM 3054 C CA . HIS A 1 405 ? 8.502 -47.697 -48.834 1.00 35.09 ? 405 HIS A CA 1 ATOM 3055 C C . HIS A 1 405 ? 7.602 -47.446 -50.031 1.00 36.76 ? 405 HIS A C 1 ATOM 3056 O O . HIS A 1 405 ? 7.493 -48.287 -50.919 1.00 46.07 ? 405 HIS A O 1 ATOM 3057 C CB . HIS A 1 405 ? 7.671 -48.217 -47.656 1.00 28.91 ? 405 HIS A CB 1 ATOM 3058 C CG . HIS A 1 405 ? 6.769 -49.364 -47.993 1.00 25.68 ? 405 HIS A CG 1 ATOM 3059 N ND1 . HIS A 1 405 ? 7.244 -50.614 -48.328 1.00 25.56 ? 405 HIS A ND1 1 ATOM 3060 C CD2 . HIS A 1 405 ? 5.418 -49.455 -48.023 1.00 19.22 ? 405 HIS A CD2 1 ATOM 3061 C CE1 . HIS A 1 405 ? 6.226 -51.426 -48.551 1.00 26.87 ? 405 HIS A CE1 1 ATOM 3062 N NE2 . HIS A 1 405 ? 5.106 -50.748 -48.371 1.00 27.95 ? 405 HIS A NE2 1 ATOM 3063 N N . ASN A 1 406 ? 6.965 -46.281 -50.045 1.00 29.98 ? 406 ASN A N 1 ATOM 3064 C CA . ASN A 1 406 ? 5.933 -45.970 -51.016 1.00 28.24 ? 406 ASN A CA 1 ATOM 3065 C C . ASN A 1 406 ? 6.446 -45.185 -52.223 1.00 36.81 ? 406 ASN A C 1 ATOM 3066 O O . ASN A 1 406 ? 5.910 -45.296 -53.333 1.00 38.74 ? 406 ASN A O 1 ATOM 3067 C CB . ASN A 1 406 ? 4.803 -45.196 -50.336 1.00 24.12 ? 406 ASN A CB 1 ATOM 3068 C CG . ASN A 1 406 ? 3.918 -46.084 -49.478 1.00 41.44 ? 406 ASN A CG 1 ATOM 3069 O OD1 . ASN A 1 406 ? 3.256 -47.005 -49.975 1.00 41.87 ? 406 ASN A OD1 1 ATOM 3070 N ND2 . ASN A 1 406 ? 3.887 -45.802 -48.183 1.00 50.86 ? 406 ASN A ND2 1 ATOM 3071 N N . VAL A 1 407 ? 7.486 -44.387 -52.015 1.00 35.17 ? 407 VAL A N 1 ATOM 3072 C CA . VAL A 1 407 ? 7.918 -43.466 -53.059 1.00 31.10 ? 407 VAL A CA 1 ATOM 3073 C C . VAL A 1 407 ? 9.401 -43.549 -53.406 1.00 34.22 ? 407 VAL A C 1 ATOM 3074 O O . VAL A 1 407 ? 9.755 -43.959 -54.503 1.00 52.08 ? 407 VAL A O 1 ATOM 3075 C CB . VAL A 1 407 ? 7.561 -42.002 -52.715 1.00 27.07 ? 407 VAL A CB 1 ATOM 3076 C CG1 . VAL A 1 407 ? 8.128 -41.070 -53.761 1.00 22.85 ? 407 VAL A CG1 1 ATOM 3077 C CG2 . VAL A 1 407 ? 6.036 -41.819 -52.581 1.00 22.20 ? 407 VAL A CG2 1 ATOM 3078 N N . VAL A 1 408 ? 10.266 -43.162 -52.478 1.00 21.47 ? 408 VAL A N 1 ATOM 3079 C CA . VAL A 1 408 ? 11.679 -42.999 -52.793 1.00 23.26 ? 408 VAL A CA 1 ATOM 3080 C C . VAL A 1 408 ? 12.352 -44.286 -53.267 1.00 26.23 ? 408 VAL A C 1 ATOM 3081 O O . VAL A 1 408 ? 13.202 -44.277 -54.148 1.00 30.13 ? 408 VAL A O 1 ATOM 3082 C CB . VAL A 1 408 ? 12.445 -42.409 -51.614 1.00 19.68 ? 408 VAL A CB 1 ATOM 3083 C CG1 . VAL A 1 408 ? 13.888 -42.225 -51.976 1.00 20.35 ? 408 VAL A CG1 1 ATOM 3084 C CG2 . VAL A 1 408 ? 11.843 -41.089 -51.240 1.00 19.78 ? 408 VAL A CG2 1 ATOM 3085 N N . CYS A 1 409 ? 11.966 -45.413 -52.709 1.00 30.57 ? 409 CYS A N 1 ATOM 3086 C CA . CYS A 1 409 ? 12.639 -46.634 -53.113 1.00 40.82 ? 409 CYS A CA 1 ATOM 3087 C C . CYS A 1 409 ? 12.098 -47.302 -54.367 1.00 36.94 ? 409 CYS A C 1 ATOM 3088 O O . CYS A 1 409 ? 12.884 -47.877 -55.114 1.00 40.49 ? 409 CYS A O 1 ATOM 3089 C CB . CYS A 1 409 ? 12.792 -47.602 -51.942 1.00 52.01 ? 409 CYS A CB 1 ATOM 3090 S SG . CYS A 1 409 ? 13.914 -46.897 -50.732 1.00 30.10 ? 409 CYS A SG 1 ATOM 3091 N N . PRO A 1 410 ? 10.771 -47.234 -54.608 1.00 37.64 ? 410 PRO A N 1 ATOM 3092 C CA . PRO A 1 410 ? 10.301 -47.670 -55.928 1.00 43.68 ? 410 PRO A CA 1 ATOM 3093 C C . PRO A 1 410 ? 10.905 -46.853 -57.077 1.00 39.80 ? 410 PRO A C 1 ATOM 3094 O O . PRO A 1 410 ? 11.379 -47.434 -58.053 1.00 34.20 ? 410 PRO A O 1 ATOM 3095 C CB . PRO A 1 410 ? 8.787 -47.449 -55.838 1.00 45.26 ? 410 PRO A CB 1 ATOM 3096 C CG . PRO A 1 410 ? 8.481 -47.652 -54.404 1.00 17.05 ? 410 PRO A CG 1 ATOM 3097 C CD . PRO A 1 410 ? 9.641 -47.041 -53.679 1.00 37.24 ? 410 PRO A CD 1 ATOM 3098 N N . VAL A 1 411 ? 10.883 -45.528 -56.938 1.00 38.28 ? 411 VAL A N 1 ATOM 3099 C CA . VAL A 1 411 ? 11.472 -44.604 -57.903 1.00 33.41 ? 411 VAL A CA 1 ATOM 3100 C C . VAL A 1 411 ? 12.965 -44.854 -58.125 1.00 26.32 ? 411 VAL A C 1 ATOM 3101 O O . VAL A 1 411 ? 13.431 -44.922 -59.265 1.00 20.44 ? 411 VAL A O 1 ATOM 3102 C CB . VAL A 1 411 ? 11.239 -43.149 -57.471 1.00 17.49 ? 411 VAL A CB 1 ATOM 3103 C CG1 . VAL A 1 411 ? 12.259 -42.244 -58.078 1.00 18.04 ? 411 VAL A CG1 1 ATOM 3104 C CG2 . VAL A 1 411 ? 9.842 -42.714 -57.847 1.00 16.91 ? 411 VAL A CG2 1 ATOM 3105 N N . ALA A 1 412 ? 13.711 -45.016 -57.039 1.00 25.16 ? 412 ALA A N 1 ATOM 3106 C CA . ALA A 1 412 ? 15.142 -45.290 -57.138 1.00 32.18 ? 412 ALA A CA 1 ATOM 3107 C C . ALA A 1 412 ? 15.465 -46.598 -57.886 1.00 38.94 ? 412 ALA A C 1 ATOM 3108 O O . ALA A 1 412 ? 16.472 -46.680 -58.607 1.00 43.30 ? 412 ALA A O 1 ATOM 3109 C CB . ALA A 1 412 ? 15.772 -45.298 -55.765 1.00 34.34 ? 412 ALA A CB 1 ATOM 3110 N N . GLN A 1 413 ? 14.621 -47.615 -57.711 1.00 34.62 ? 413 GLN A N 1 ATOM 3111 C CA . GLN A 1 413 ? 14.866 -48.918 -58.332 1.00 29.66 ? 413 GLN A CA 1 ATOM 3112 C C . GLN A 1 413 ? 14.658 -48.798 -59.821 1.00 35.09 ? 413 GLN A C 1 ATOM 3113 O O . GLN A 1 413 ? 15.471 -49.281 -60.618 1.00 31.87 ? 413 GLN A O 1 ATOM 3114 C CB . GLN A 1 413 ? 13.914 -49.975 -57.782 1.00 22.22 ? 413 GLN A CB 1 ATOM 3115 C CG . GLN A 1 413 ? 14.274 -51.375 -58.210 1.00 31.67 ? 413 GLN A CG 1 ATOM 3116 C CD . GLN A 1 413 ? 13.156 -52.356 -57.941 1.00 50.58 ? 413 GLN A CD 1 ATOM 3117 O OE1 . GLN A 1 413 ? 11.983 -52.066 -58.202 1.00 48.03 ? 413 GLN A OE1 1 ATOM 3118 N NE2 . GLN A 1 413 ? 13.507 -53.526 -57.405 1.00 63.15 ? 413 GLN A NE2 1 ATOM 3119 N N . LEU A 1 414 ? 13.543 -48.149 -60.164 1.00 38.32 ? 414 LEU A N 1 ATOM 3120 C CA . LEU A 1 414 ? 13.170 -47.820 -61.530 1.00 32.35 ? 414 LEU A CA 1 ATOM 3121 C C . LEU A 1 414 ? 14.306 -47.099 -62.242 1.00 36.28 ? 414 LEU A C 1 ATOM 3122 O O . LEU A 1 414 ? 14.844 -47.599 -63.233 1.00 37.27 ? 414 LEU A O 1 ATOM 3123 C CB . LEU A 1 414 ? 11.921 -46.929 -61.528 1.00 31.84 ? 414 LEU A CB 1 ATOM 3124 C CG . LEU A 1 414 ? 11.453 -46.365 -62.885 1.00 29.96 ? 414 LEU A CG 1 ATOM 3125 C CD1 . LEU A 1 414 ? 11.218 -47.476 -63.888 1.00 34.78 ? 414 LEU A CD1 1 ATOM 3126 C CD2 . LEU A 1 414 ? 10.184 -45.549 -62.757 1.00 21.05 ? 414 LEU A CD2 1 ATOM 3127 N N . ALA A 1 415 ? 14.673 -45.932 -61.712 1.00 35.32 ? 415 ALA A N 1 ATOM 3128 C CA . ALA A 1 415 ? 15.699 -45.086 -62.313 1.00 31.51 ? 415 ALA A CA 1 ATOM 3129 C C . ALA A 1 415 ? 17.018 -45.813 -62.512 1.00 38.07 ? 415 ALA A C 1 ATOM 3130 O O . ALA A 1 415 ? 17.759 -45.513 -63.436 1.00 51.21 ? 415 ALA A O 1 ATOM 3131 C CB . ALA A 1 415 ? 15.909 -43.844 -61.484 1.00 24.85 ? 415 ALA A CB 1 ATOM 3132 N N . GLY A 1 416 ? 17.317 -46.764 -61.644 1.00 36.34 ? 416 GLY A N 1 ATOM 3133 C CA . GLY A 1 416 ? 18.500 -47.572 -61.832 1.00 36.70 ? 416 GLY A CA 1 ATOM 3134 C C . GLY A 1 416 ? 18.299 -48.533 -62.983 1.00 36.72 ? 416 GLY A C 1 ATOM 3135 O O . GLY A 1 416 ? 19.143 -48.642 -63.873 1.00 30.97 ? 416 GLY A O 1 ATOM 3136 N N . ARG A 1 417 ? 17.172 -49.237 -62.963 1.00 40.96 ? 417 ARG A N 1 ATOM 3137 C CA . ARG A 1 417 ? 16.878 -50.226 -63.992 1.00 33.76 ? 417 ARG A CA 1 ATOM 3138 C C . ARG A 1 417 ? 16.795 -49.602 -65.394 1.00 31.57 ? 417 ARG A C 1 ATOM 3139 O O . ARG A 1 417 ? 17.305 -50.176 -66.352 1.00 27.41 ? 417 ARG A O 1 ATOM 3140 C CB . ARG A 1 417 ? 15.601 -50.998 -63.650 1.00 23.46 ? 417 ARG A CB 1 ATOM 3141 C CG . ARG A 1 417 ? 15.815 -52.215 -62.770 1.00 28.00 ? 417 ARG A CG 1 ATOM 3142 C CD . ARG A 1 417 ? 17.021 -53.020 -63.227 1.00 39.84 ? 417 ARG A CD 1 ATOM 3143 N NE . ARG A 1 417 ? 16.978 -54.427 -62.816 1.00 47.71 ? 417 ARG A NE 1 ATOM 3144 C CZ . ARG A 1 417 ? 17.003 -55.454 -63.664 1.00 47.91 ? 417 ARG A CZ 1 ATOM 3145 N NH1 . ARG A 1 417 ? 17.074 -55.233 -64.962 1.00 58.60 ? 417 ARG A NH1 1 ATOM 3146 N NH2 . ARG A 1 417 ? 16.970 -56.703 -63.224 1.00 44.29 ? 417 ARG A NH2 1 ATOM 3147 N N . LEU A 1 418 ? 16.161 -48.431 -65.501 1.00 30.59 ? 418 LEU A N 1 ATOM 3148 C CA . LEU A 1 418 ? 16.120 -47.673 -66.759 1.00 31.59 ? 418 LEU A CA 1 ATOM 3149 C C . LEU A 1 418 ? 17.506 -47.274 -67.235 1.00 36.50 ? 418 LEU A C 1 ATOM 3150 O O . LEU A 1 418 ? 17.985 -47.784 -68.244 1.00 37.80 ? 418 LEU A O 1 ATOM 3151 C CB . LEU A 1 418 ? 15.257 -46.419 -66.632 1.00 28.25 ? 418 LEU A CB 1 ATOM 3152 C CG . LEU A 1 418 ? 13.777 -46.720 -66.401 1.00 30.79 ? 418 LEU A CG 1 ATOM 3153 C CD1 . LEU A 1 418 ? 12.942 -45.489 -66.679 1.00 18.57 ? 418 LEU A CD1 1 ATOM 3154 C CD2 . LEU A 1 418 ? 13.318 -47.900 -67.243 1.00 23.23 ? 418 LEU A CD2 1 ATOM 3155 N N . ALA A 1 419 ? 18.135 -46.355 -66.507 1.00 39.36 ? 419 ALA A N 1 ATOM 3156 C CA . ALA A 1 419 ? 19.506 -45.932 -66.790 1.00 36.08 ? 419 ALA A CA 1 ATOM 3157 C C . ALA A 1 419 ? 20.403 -47.073 -67.274 1.00 35.61 ? 419 ALA A C 1 ATOM 3158 O O . ALA A 1 419 ? 21.106 -46.935 -68.272 1.00 43.05 ? 419 ALA A O 1 ATOM 3159 C CB . ALA A 1 419 ? 20.118 -45.266 -65.562 1.00 28.67 ? 419 ALA A CB 1 ATOM 3160 N N . ALA A 1 420 ? 20.348 -48.210 -66.591 1.00 33.20 ? 420 ALA A N 1 ATOM 3161 C CA . ALA A 1 420 ? 21.267 -49.304 -66.885 1.00 44.97 ? 420 ALA A CA 1 ATOM 3162 C C . ALA A 1 420 ? 20.821 -50.174 -68.065 1.00 49.54 ? 420 ALA A C 1 ATOM 3163 O O . ALA A 1 420 ? 21.513 -51.133 -68.443 1.00 52.27 ? 420 ALA A O 1 ATOM 3164 C CB . ALA A 1 420 ? 21.505 -50.151 -65.635 1.00 42.97 ? 420 ALA A CB 1 ATOM 3165 N N . GLN A 1 421 ? 19.673 -49.824 -68.644 1.00 40.71 ? 421 GLN A N 1 ATOM 3166 C CA . GLN A 1 421 ? 19.086 -50.580 -69.753 1.00 37.31 ? 421 GLN A CA 1 ATOM 3167 C C . GLN A 1 421 ? 18.721 -49.708 -70.949 1.00 38.47 ? 421 GLN A C 1 ATOM 3168 O O . GLN A 1 421 ? 17.833 -50.059 -71.726 1.00 30.51 ? 421 GLN A O 1 ATOM 3169 C CB . GLN A 1 421 ? 17.836 -51.309 -69.287 1.00 29.67 ? 421 GLN A CB 1 ATOM 3170 C CG . GLN A 1 421 ? 18.146 -52.566 -68.555 1.00 23.44 ? 421 GLN A CG 1 ATOM 3171 C CD . GLN A 1 421 ? 17.008 -53.037 -67.690 1.00 26.43 ? 421 GLN A CD 1 ATOM 3172 O OE1 . GLN A 1 421 ? 17.205 -53.882 -66.832 1.00 32.52 ? 421 GLN A OE1 1 ATOM 3173 N NE2 . GLN A 1 421 ? 15.816 -52.494 -67.903 1.00 26.80 ? 421 GLN A NE2 1 ATOM 3174 N N . GLY A 1 422 ? 19.381 -48.561 -71.071 1.00 37.91 ? 422 GLY A N 1 ATOM 3175 C CA . GLY A 1 422 ? 19.228 -47.737 -72.245 1.00 31.46 ? 422 GLY A CA 1 ATOM 3176 C C . GLY A 1 422 ? 18.695 -46.330 -72.088 1.00 34.11 ? 422 GLY A C 1 ATOM 3177 O O . GLY A 1 422 ? 18.858 -45.507 -72.990 1.00 46.80 ? 422 GLY A O 1 ATOM 3178 N N . ALA A 1 423 ? 18.037 -46.022 -70.984 1.00 28.06 ? 423 ALA A N 1 ATOM 3179 C CA . ALA A 1 423 ? 17.474 -44.689 -70.894 1.00 22.86 ? 423 ALA A CA 1 ATOM 3180 C C . ALA A 1 423 ? 18.508 -43.756 -70.342 1.00 31.61 ? 423 ALA A C 1 ATOM 3181 O O . ALA A 1 423 ? 19.359 -44.155 -69.552 1.00 37.92 ? 423 ALA A O 1 ATOM 3182 C CB . ALA A 1 423 ? 16.249 -44.670 -70.060 1.00 21.66 ? 423 ALA A CB 1 ATOM 3183 N N . ARG A 1 424 ? 18.456 -42.518 -70.810 1.00 28.71 ? 424 ARG A N 1 ATOM 3184 C CA . ARG A 1 424 ? 19.222 -41.440 -70.225 1.00 34.10 ? 424 ARG A CA 1 ATOM 3185 C C . ARG A 1 424 ? 18.288 -40.911 -69.152 1.00 38.66 ? 424 ARG A C 1 ATOM 3186 O O . ARG A 1 424 ? 17.159 -40.525 -69.458 1.00 32.30 ? 424 ARG A O 1 ATOM 3187 C CB . ARG A 1 424 ? 19.530 -40.383 -71.287 1.00 39.66 ? 424 ARG A CB 1 ATOM 3188 C CG . ARG A 1 424 ? 20.092 -39.064 -70.775 1.00 52.22 ? 424 ARG A CG 1 ATOM 3189 C CD . ARG A 1 424 ? 21.543 -39.202 -70.373 1.00 68.01 ? 424 ARG A CD 1 ATOM 3190 N NE . ARG A 1 424 ? 22.423 -39.463 -71.509 1.00 79.39 ? 424 ARG A NE 1 ATOM 3191 C CZ . ARG A 1 424 ? 23.545 -40.178 -71.434 1.00 88.54 ? 424 ARG A CZ 1 ATOM 3192 N NH1 . ARG A 1 424 ? 23.920 -40.719 -70.272 1.00 89.50 ? 424 ARG A NH1 1 ATOM 3193 N NH2 . ARG A 1 424 ? 24.291 -40.363 -72.522 1.00 89.84 ? 424 ARG A NH2 1 ATOM 3194 N N . VAL A 1 425 ? 18.730 -40.948 -67.894 1.00 42.11 ? 425 VAL A N 1 ATOM 3195 C CA . VAL A 1 425 ? 17.871 -40.572 -66.772 1.00 33.13 ? 425 VAL A CA 1 ATOM 3196 C C . VAL A 1 425 ? 18.443 -39.388 -65.992 1.00 30.08 ? 425 VAL A C 1 ATOM 3197 O O . VAL A 1 425 ? 19.650 -39.276 -65.824 1.00 29.85 ? 425 VAL A O 1 ATOM 3198 C CB . VAL A 1 425 ? 17.684 -41.751 -65.819 1.00 21.90 ? 425 VAL A CB 1 ATOM 3199 C CG1 . VAL A 1 425 ? 16.662 -41.419 -64.773 1.00 21.04 ? 425 VAL A CG1 1 ATOM 3200 C CG2 . VAL A 1 425 ? 17.261 -42.991 -66.581 1.00 22.46 ? 425 VAL A CG2 1 ATOM 3201 N N . TYR A 1 426 ? 17.576 -38.493 -65.537 1.00 22.76 ? 426 TYR A N 1 ATOM 3202 C CA . TYR A 1 426 ? 17.993 -37.409 -64.645 1.00 30.83 ? 426 TYR A CA 1 ATOM 3203 C C . TYR A 1 426 ? 17.135 -37.422 -63.388 1.00 34.48 ? 426 TYR A C 1 ATOM 3204 O O . TYR A 1 426 ? 15.912 -37.427 -63.485 1.00 41.95 ? 426 TYR A O 1 ATOM 3205 C CB . TYR A 1 426 ? 17.851 -36.053 -65.331 1.00 30.93 ? 426 TYR A CB 1 ATOM 3206 C CG . TYR A 1 426 ? 18.708 -35.886 -66.565 1.00 32.67 ? 426 TYR A CG 1 ATOM 3207 C CD1 . TYR A 1 426 ? 19.993 -35.370 -66.471 1.00 38.74 ? 426 TYR A CD1 1 ATOM 3208 C CD2 . TYR A 1 426 ? 18.233 -36.228 -67.823 1.00 26.22 ? 426 TYR A CD2 1 ATOM 3209 C CE1 . TYR A 1 426 ? 20.787 -35.206 -67.591 1.00 40.81 ? 426 TYR A CE1 1 ATOM 3210 C CE2 . TYR A 1 426 ? 19.025 -36.069 -68.948 1.00 39.28 ? 426 TYR A CE2 1 ATOM 3211 C CZ . TYR A 1 426 ? 20.302 -35.554 -68.823 1.00 40.02 ? 426 TYR A CZ 1 ATOM 3212 O OH . TYR A 1 426 ? 21.110 -35.386 -69.923 1.00 36.77 ? 426 TYR A OH 1 ATOM 3213 N N . ALA A 1 427 ? 17.775 -37.417 -62.217 1.00 34.30 ? 427 ALA A N 1 ATOM 3214 C CA . ALA A 1 427 ? 17.078 -37.521 -60.926 1.00 27.08 ? 427 ALA A CA 1 ATOM 3215 C C . ALA A 1 427 ? 17.211 -36.245 -60.094 1.00 28.73 ? 427 ALA A C 1 ATOM 3216 O O . ALA A 1 427 ? 18.261 -35.612 -60.107 1.00 34.44 ? 427 ALA A O 1 ATOM 3217 C CB . ALA A 1 427 ? 17.617 -38.701 -60.150 1.00 26.68 ? 427 ALA A CB 1 ATOM 3218 N N . TYR A 1 428 ? 16.158 -35.866 -59.371 1.00 22.44 ? 428 TYR A N 1 ATOM 3219 C CA . TYR A 1 428 ? 16.210 -34.671 -58.506 1.00 33.49 ? 428 TYR A CA 1 ATOM 3220 C C . TYR A 1 428 ? 15.576 -34.913 -57.135 1.00 30.64 ? 428 TYR A C 1 ATOM 3221 O O . TYR A 1 428 ? 14.636 -35.700 -56.995 1.00 21.75 ? 428 TYR A O 1 ATOM 3222 C CB . TYR A 1 428 ? 15.472 -33.486 -59.150 1.00 29.32 ? 428 TYR A CB 1 ATOM 3223 C CG . TYR A 1 428 ? 13.979 -33.722 -59.195 1.00 33.10 ? 428 TYR A CG 1 ATOM 3224 C CD1 . TYR A 1 428 ? 13.390 -34.401 -60.264 1.00 41.20 ? 428 TYR A CD1 1 ATOM 3225 C CD2 . TYR A 1 428 ? 13.161 -33.320 -58.150 1.00 32.72 ? 428 TYR A CD2 1 ATOM 3226 C CE1 . TYR A 1 428 ? 12.020 -34.635 -60.298 1.00 41.46 ? 428 TYR A CE1 1 ATOM 3227 C CE2 . TYR A 1 428 ? 11.803 -33.576 -58.164 1.00 38.35 ? 428 TYR A CE2 1 ATOM 3228 C CZ . TYR A 1 428 ? 11.237 -34.227 -59.235 1.00 42.94 ? 428 TYR A CZ 1 ATOM 3229 O OH . TYR A 1 428 ? 9.882 -34.462 -59.225 1.00 50.62 ? 428 TYR A OH 1 ATOM 3230 N N . VAL A 1 429 ? 16.052 -34.203 -56.123 1.00 31.45 ? 429 VAL A N 1 ATOM 3231 C CA . VAL A 1 429 ? 15.275 -34.101 -54.892 1.00 31.73 ? 429 VAL A CA 1 ATOM 3232 C C . VAL A 1 429 ? 14.824 -32.667 -54.698 1.00 30.42 ? 429 VAL A C 1 ATOM 3233 O O . VAL A 1 429 ? 15.641 -31.750 -54.634 1.00 32.70 ? 429 VAL A O 1 ATOM 3234 C CB . VAL A 1 429 ? 16.033 -34.586 -53.658 1.00 32.64 ? 429 VAL A CB 1 ATOM 3235 C CG1 . VAL A 1 429 ? 15.395 -34.017 -52.398 1.00 28.41 ? 429 VAL A CG1 1 ATOM 3236 C CG2 . VAL A 1 429 ? 16.030 -36.098 -53.622 1.00 23.18 ? 429 VAL A CG2 1 ATOM 3237 N N . PHE A 1 430 ? 13.512 -32.482 -54.641 1.00 28.74 ? 430 PHE A N 1 ATOM 3238 C CA . PHE A 1 430 ? 12.936 -31.167 -54.463 1.00 36.78 ? 430 PHE A CA 1 ATOM 3239 C C . PHE A 1 430 ? 12.809 -30.911 -52.973 1.00 48.47 ? 430 PHE A C 1 ATOM 3240 O O . PHE A 1 430 ? 11.873 -31.384 -52.332 1.00 59.72 ? 430 PHE A O 1 ATOM 3241 C CB . PHE A 1 430 ? 11.565 -31.092 -55.134 1.00 37.20 ? 430 PHE A CB 1 ATOM 3242 C CG . PHE A 1 430 ? 10.933 -29.734 -55.062 1.00 44.54 ? 430 PHE A CG 1 ATOM 3243 C CD1 . PHE A 1 430 ? 11.265 -28.754 -55.981 1.00 42.12 ? 430 PHE A CD1 1 ATOM 3244 C CD2 . PHE A 1 430 ? 10.015 -29.431 -54.067 1.00 50.92 ? 430 PHE A CD2 1 ATOM 3245 C CE1 . PHE A 1 430 ? 10.694 -27.493 -55.911 1.00 42.74 ? 430 PHE A CE1 1 ATOM 3246 C CE2 . PHE A 1 430 ? 9.435 -28.175 -53.996 1.00 50.21 ? 430 PHE A CE2 1 ATOM 3247 C CZ . PHE A 1 430 ? 9.775 -27.206 -54.922 1.00 44.32 ? 430 PHE A CZ 1 ATOM 3248 N N . GLU A 1 431 ? 13.758 -30.166 -52.423 1.00 46.89 ? 431 GLU A N 1 ATOM 3249 C CA . GLU A 1 431 ? 13.791 -29.914 -50.991 1.00 43.45 ? 431 GLU A CA 1 ATOM 3250 C C . GLU A 1 431 ? 13.641 -28.431 -50.641 1.00 35.92 ? 431 GLU A C 1 ATOM 3251 O O . GLU A 1 431 ? 14.487 -27.855 -49.965 1.00 33.81 ? 431 GLU A O 1 ATOM 3252 C CB . GLU A 1 431 ? 15.073 -30.493 -50.389 1.00 48.84 ? 431 GLU A CB 1 ATOM 3253 C CG . GLU A 1 431 ? 16.338 -30.129 -51.140 1.00 56.25 ? 431 GLU A CG 1 ATOM 3254 C CD . GLU A 1 431 ? 17.562 -30.840 -50.601 1.00 64.50 ? 431 GLU A CD 1 ATOM 3255 O OE1 . GLU A 1 431 ? 17.519 -32.084 -50.439 1.00 59.75 ? 431 GLU A OE1 1 ATOM 3256 O OE2 . GLU A 1 431 ? 18.570 -30.147 -50.344 1.00 73.88 ? 431 GLU A OE2 1 ATOM 3257 N N . HIS A 1 432 ? 12.568 -27.817 -51.123 1.00 34.92 ? 432 HIS A N 1 ATOM 3258 C CA . HIS A 1 432 ? 12.244 -26.453 -50.733 1.00 36.26 ? 432 HIS A CA 1 ATOM 3259 C C . HIS A 1 432 ? 10.794 -26.308 -50.289 1.00 43.75 ? 432 HIS A C 1 ATOM 3260 O O . HIS A 1 432 ? 9.856 -26.512 -51.067 1.00 47.64 ? 432 HIS A O 1 ATOM 3261 C CB . HIS A 1 432 ? 12.535 -25.448 -51.844 1.00 36.19 ? 432 HIS A CB 1 ATOM 3262 C CG . HIS A 1 432 ? 12.018 -24.074 -51.546 1.00 44.79 ? 432 HIS A CG 1 ATOM 3263 N ND1 . HIS A 1 432 ? 12.788 -23.099 -50.946 1.00 49.92 ? 432 HIS A ND1 1 ATOM 3264 C CD2 . HIS A 1 432 ? 10.795 -23.521 -51.741 1.00 41.38 ? 432 HIS A CD2 1 ATOM 3265 C CE1 . HIS A 1 432 ? 12.064 -22.004 -50.793 1.00 45.36 ? 432 HIS A CE1 1 ATOM 3266 N NE2 . HIS A 1 432 ? 10.854 -22.232 -51.271 1.00 41.05 ? 432 HIS A NE2 1 ATOM 3267 N N . ARG A 1 433 ? 10.626 -25.926 -49.031 1.00 46.12 ? 433 ARG A N 1 ATOM 3268 C CA . ARG A 1 433 ? 9.314 -25.741 -48.441 1.00 44.81 ? 433 ARG A CA 1 ATOM 3269 C C . ARG A 1 433 ? 8.707 -24.425 -48.922 1.00 49.32 ? 433 ARG A C 1 ATOM 3270 O O . ARG A 1 433 ? 9.318 -23.366 -48.771 1.00 47.05 ? 433 ARG A O 1 ATOM 3271 C CB . ARG A 1 433 ? 9.464 -25.726 -46.925 1.00 41.22 ? 433 ARG A CB 1 ATOM 3272 C CG . ARG A 1 433 ? 8.184 -25.798 -46.152 1.00 33.18 ? 433 ARG A CG 1 ATOM 3273 C CD . ARG A 1 433 ? 8.459 -25.695 -44.672 1.00 37.96 ? 433 ARG A CD 1 ATOM 3274 N NE . ARG A 1 433 ? 7.404 -26.340 -43.903 1.00 47.04 ? 433 ARG A NE 1 ATOM 3275 C CZ . ARG A 1 433 ? 6.366 -25.701 -43.383 1.00 50.96 ? 433 ARG A CZ 1 ATOM 3276 N NH1 . ARG A 1 433 ? 6.245 -24.385 -43.537 1.00 53.23 ? 433 ARG A NH1 1 ATOM 3277 N NH2 . ARG A 1 433 ? 5.451 -26.380 -42.711 1.00 30.77 ? 433 ARG A NH2 1 ATOM 3278 N N . ALA A 1 434 ? 7.515 -24.488 -49.515 1.00 49.60 ? 434 ALA A N 1 ATOM 3279 C CA . ALA A 1 434 ? 6.812 -23.270 -49.935 1.00 42.03 ? 434 ALA A CA 1 ATOM 3280 C C . ALA A 1 434 ? 6.591 -22.349 -48.742 1.00 43.47 ? 434 ALA A C 1 ATOM 3281 O O . ALA A 1 434 ? 6.252 -22.811 -47.655 1.00 45.86 ? 434 ALA A O 1 ATOM 3282 C CB . ALA A 1 434 ? 5.477 -23.610 -50.596 1.00 30.83 ? 434 ALA A CB 1 ATOM 3283 N N . SER A 1 435 ? 6.792 -21.049 -48.945 1.00 45.14 ? 435 SER A N 1 ATOM 3284 C CA . SER A 1 435 ? 6.571 -20.052 -47.895 1.00 43.97 ? 435 SER A CA 1 ATOM 3285 C C . SER A 1 435 ? 5.080 -19.780 -47.690 1.00 49.61 ? 435 SER A C 1 ATOM 3286 O O . SER A 1 435 ? 4.671 -19.287 -46.642 1.00 46.48 ? 435 SER A O 1 ATOM 3287 C CB . SER A 1 435 ? 7.258 -18.742 -48.251 1.00 36.56 ? 435 SER A CB 1 ATOM 3288 O OG . SER A 1 435 ? 6.564 -18.105 -49.311 1.00 51.42 ? 435 SER A OG 1 ATOM 3289 N N . THR A 1 436 ? 4.273 -20.087 -48.703 1.00 58.30 ? 436 THR A N 1 ATOM 3290 C CA . THR A 1 436 ? 2.819 -19.960 -48.591 1.00 57.12 ? 436 THR A CA 1 ATOM 3291 C C . THR A 1 436 ? 2.188 -21.177 -47.890 1.00 51.16 ? 436 THR A C 1 ATOM 3292 O O . THR A 1 436 ? 0.962 -21.246 -47.746 1.00 47.92 ? 436 THR A O 1 ATOM 3293 C CB . THR A 1 436 ? 2.141 -19.741 -49.987 1.00 76.66 ? 436 THR A CB 1 ATOM 3294 O OG1 . THR A 1 436 ? 2.423 -20.845 -50.861 1.00 75.04 ? 436 THR A OG1 1 ATOM 3295 C CG2 . THR A 1 436 ? 2.634 -18.465 -50.633 1.00 73.69 ? 436 THR A CG2 1 ATOM 3296 N N . LEU A 1 437 ? 3.032 -22.125 -47.468 1.00 46.28 ? 437 LEU A N 1 ATOM 3297 C CA . LEU A 1 437 ? 2.573 -23.406 -46.930 1.00 39.21 ? 437 LEU A CA 1 ATOM 3298 C C . LEU A 1 437 ? 1.741 -23.189 -45.677 1.00 41.83 ? 437 LEU A C 1 ATOM 3299 O O . LEU A 1 437 ? 1.949 -22.222 -44.940 1.00 41.11 ? 437 LEU A O 1 ATOM 3300 C CB . LEU A 1 437 ? 3.749 -24.350 -46.653 1.00 31.73 ? 437 LEU A CB 1 ATOM 3301 C CG . LEU A 1 437 ? 3.622 -25.795 -47.155 1.00 36.84 ? 437 LEU A CG 1 ATOM 3302 C CD1 . LEU A 1 437 ? 4.932 -26.537 -47.073 1.00 27.73 ? 437 LEU A CD1 1 ATOM 3303 C CD2 . LEU A 1 437 ? 2.590 -26.546 -46.367 1.00 38.45 ? 437 LEU A CD2 1 ATOM 3304 N N . SER A 1 438 ? 0.782 -24.080 -45.460 1.00 43.67 ? 438 SER A N 1 ATOM 3305 C CA . SER A 1 438 ? -0.196 -23.906 -44.398 1.00 49.74 ? 438 SER A CA 1 ATOM 3306 C C . SER A 1 438 ? -0.197 -25.102 -43.462 1.00 50.28 ? 438 SER A C 1 ATOM 3307 O O . SER A 1 438 ? -0.852 -25.084 -42.415 1.00 47.53 ? 438 SER A O 1 ATOM 3308 C CB . SER A 1 438 ? -1.590 -23.680 -44.989 1.00 48.89 ? 438 SER A CB 1 ATOM 3309 O OG . SER A 1 438 ? -1.884 -24.637 -45.987 1.00 49.89 ? 438 SER A OG 1 ATOM 3310 N N . TRP A 1 439 ? 0.551 -26.133 -43.849 1.00 48.31 ? 439 TRP A N 1 ATOM 3311 C CA . TRP A 1 439 ? 0.745 -27.307 -43.008 1.00 43.62 ? 439 TRP A CA 1 ATOM 3312 C C . TRP A 1 439 ? 1.902 -27.106 -42.021 1.00 40.30 ? 439 TRP A C 1 ATOM 3313 O O . TRP A 1 439 ? 2.853 -26.371 -42.314 1.00 32.17 ? 439 TRP A O 1 ATOM 3314 C CB . TRP A 1 439 ? 0.996 -28.548 -43.867 1.00 38.59 ? 439 TRP A CB 1 ATOM 3315 C CG . TRP A 1 439 ? -0.106 -28.845 -44.826 1.00 40.00 ? 439 TRP A CG 1 ATOM 3316 C CD1 . TRP A 1 439 ? -0.207 -28.411 -46.107 1.00 36.93 ? 439 TRP A CD1 1 ATOM 3317 C CD2 . TRP A 1 439 ? -1.266 -29.656 -44.584 1.00 44.18 ? 439 TRP A CD2 1 ATOM 3318 N NE1 . TRP A 1 439 ? -1.356 -28.890 -46.680 1.00 40.26 ? 439 TRP A NE1 1 ATOM 3319 C CE2 . TRP A 1 439 ? -2.024 -29.660 -45.766 1.00 42.56 ? 439 TRP A CE2 1 ATOM 3320 C CE3 . TRP A 1 439 ? -1.736 -30.375 -43.482 1.00 42.75 ? 439 TRP A CE3 1 ATOM 3321 C CZ2 . TRP A 1 439 ? -3.229 -30.354 -45.881 1.00 38.36 ? 439 TRP A CZ2 1 ATOM 3322 C CZ3 . TRP A 1 439 ? -2.932 -31.059 -43.600 1.00 35.85 ? 439 TRP A CZ3 1 ATOM 3323 C CH2 . TRP A 1 439 ? -3.665 -31.043 -44.792 1.00 30.12 ? 439 TRP A CH2 1 ATOM 3324 N N . PRO A 1 440 ? 1.807 -27.754 -40.843 1.00 39.96 ? 440 PRO A N 1 ATOM 3325 C CA . PRO A 1 440 ? 2.817 -27.807 -39.783 1.00 31.71 ? 440 PRO A CA 1 ATOM 3326 C C . PRO A 1 440 ? 4.249 -28.035 -40.259 1.00 31.91 ? 440 PRO A C 1 ATOM 3327 O O . PRO A 1 440 ? 4.481 -28.767 -41.226 1.00 29.62 ? 440 PRO A O 1 ATOM 3328 C CB . PRO A 1 440 ? 2.370 -29.020 -38.946 1.00 31.89 ? 440 PRO A CB 1 ATOM 3329 C CG . PRO A 1 440 ? 1.225 -29.659 -39.696 1.00 34.48 ? 440 PRO A CG 1 ATOM 3330 C CD . PRO A 1 440 ? 0.617 -28.527 -40.452 1.00 40.75 ? 440 PRO A CD 1 ATOM 3331 N N . LEU A 1 441 ? 5.196 -27.431 -39.546 1.00 32.26 ? 441 LEU A N 1 ATOM 3332 C CA . LEU A 1 441 ? 6.623 -27.551 -39.838 1.00 32.25 ? 441 LEU A CA 1 ATOM 3333 C C . LEU A 1 441 ? 7.157 -28.993 -39.905 1.00 38.56 ? 441 LEU A C 1 ATOM 3334 O O . LEU A 1 441 ? 8.073 -29.291 -40.672 1.00 42.49 ? 441 LEU A O 1 ATOM 3335 C CB . LEU A 1 441 ? 7.412 -26.780 -38.784 1.00 39.19 ? 441 LEU A CB 1 ATOM 3336 C CG . LEU A 1 441 ? 8.415 -25.744 -39.266 1.00 38.29 ? 441 LEU A CG 1 ATOM 3337 C CD1 . LEU A 1 441 ? 9.056 -26.213 -40.574 1.00 41.18 ? 441 LEU A CD1 1 ATOM 3338 C CD2 . LEU A 1 441 ? 7.726 -24.406 -39.425 1.00 35.93 ? 441 LEU A CD2 1 ATOM 3339 N N . TRP A 1 442 ? 6.605 -29.882 -39.091 1.00 36.43 ? 442 TRP A N 1 ATOM 3340 C CA . TRP A 1 442 ? 7.113 -31.246 -39.032 1.00 40.02 ? 442 TRP A CA 1 ATOM 3341 C C . TRP A 1 442 ? 6.868 -32.006 -40.325 1.00 40.69 ? 442 TRP A C 1 ATOM 3342 O O . TRP A 1 442 ? 7.525 -33.017 -40.574 1.00 48.93 ? 442 TRP A O 1 ATOM 3343 C CB . TRP A 1 442 ? 6.530 -32.023 -37.841 1.00 44.98 ? 442 TRP A CB 1 ATOM 3344 C CG . TRP A 1 442 ? 5.041 -32.245 -37.877 1.00 45.36 ? 442 TRP A CG 1 ATOM 3345 C CD1 . TRP A 1 442 ? 4.085 -31.461 -37.303 1.00 45.95 ? 442 TRP A CD1 1 ATOM 3346 C CD2 . TRP A 1 442 ? 4.342 -33.332 -38.506 1.00 44.82 ? 442 TRP A CD2 1 ATOM 3347 N NE1 . TRP A 1 442 ? 2.836 -31.985 -37.545 1.00 44.64 ? 442 TRP A NE1 1 ATOM 3348 C CE2 . TRP A 1 442 ? 2.968 -33.134 -38.279 1.00 43.86 ? 442 TRP A CE2 1 ATOM 3349 C CE3 . TRP A 1 442 ? 4.746 -34.448 -39.249 1.00 44.98 ? 442 TRP A CE3 1 ATOM 3350 C CZ2 . TRP A 1 442 ? 1.995 -34.012 -38.762 1.00 45.30 ? 442 TRP A CZ2 1 ATOM 3351 C CZ3 . TRP A 1 442 ? 3.774 -35.327 -39.725 1.00 35.69 ? 442 TRP A CZ3 1 ATOM 3352 C CH2 . TRP A 1 442 ? 2.420 -35.102 -39.479 1.00 38.95 ? 442 TRP A CH2 1 ATOM 3353 N N . MET A 1 443 ? 5.925 -31.535 -41.141 1.00 32.95 ? 443 MET A N 1 ATOM 3354 C CA . MET A 1 443 ? 5.706 -32.141 -42.455 1.00 37.51 ? 443 MET A CA 1 ATOM 3355 C C . MET A 1 443 ? 6.778 -31.765 -43.505 1.00 35.58 ? 443 MET A C 1 ATOM 3356 O O . MET A 1 443 ? 6.960 -32.485 -44.487 1.00 28.49 ? 443 MET A O 1 ATOM 3357 C CB . MET A 1 443 ? 4.306 -31.832 -42.977 1.00 26.03 ? 443 MET A CB 1 ATOM 3358 C CG . MET A 1 443 ? 3.205 -32.484 -42.191 1.00 26.04 ? 443 MET A CG 1 ATOM 3359 S SD . MET A 1 443 ? 1.606 -32.092 -42.913 1.00 41.57 ? 443 MET A SD 1 ATOM 3360 C CE . MET A 1 443 ? 0.512 -33.169 -42.004 1.00 25.64 ? 443 MET A CE 1 ATOM 3361 N N . GLY A 1 444 ? 7.478 -30.649 -43.296 1.00 36.81 ? 444 GLY A N 1 ATOM 3362 C CA . GLY A 1 444 ? 8.569 -30.236 -44.169 1.00 42.82 ? 444 GLY A CA 1 ATOM 3363 C C . GLY A 1 444 ? 8.178 -29.842 -45.591 1.00 49.62 ? 444 GLY A C 1 ATOM 3364 O O . GLY A 1 444 ? 7.454 -28.864 -45.800 1.00 53.73 ? 444 GLY A O 1 ATOM 3365 N N . VAL A 1 445 ? 8.696 -30.580 -46.575 1.00 41.34 ? 445 VAL A N 1 ATOM 3366 C CA . VAL A 1 445 ? 8.271 -30.435 -47.959 1.00 29.87 ? 445 VAL A CA 1 ATOM 3367 C C . VAL A 1 445 ? 7.439 -31.663 -48.275 1.00 34.30 ? 445 VAL A C 1 ATOM 3368 O O . VAL A 1 445 ? 7.981 -32.714 -48.618 1.00 40.69 ? 445 VAL A O 1 ATOM 3369 C CB . VAL A 1 445 ? 9.455 -30.426 -48.943 1.00 29.47 ? 445 VAL A CB 1 ATOM 3370 C CG1 . VAL A 1 445 ? 8.962 -30.092 -50.345 1.00 30.49 ? 445 VAL A CG1 1 ATOM 3371 C CG2 . VAL A 1 445 ? 10.522 -29.450 -48.519 1.00 26.31 ? 445 VAL A CG2 1 ATOM 3372 N N . PRO A 1 446 ? 6.116 -31.556 -48.155 1.00 33.59 ? 446 PRO A N 1 ATOM 3373 C CA . PRO A 1 446 ? 5.369 -32.809 -48.287 1.00 33.47 ? 446 PRO A CA 1 ATOM 3374 C C . PRO A 1 446 ? 4.949 -33.164 -49.734 1.00 34.94 ? 446 PRO A C 1 ATOM 3375 O O . PRO A 1 446 ? 4.878 -32.294 -50.614 1.00 30.06 ? 446 PRO A O 1 ATOM 3376 C CB . PRO A 1 446 ? 4.142 -32.586 -47.375 1.00 27.60 ? 446 PRO A CB 1 ATOM 3377 C CG . PRO A 1 446 ? 4.191 -31.097 -46.950 1.00 26.70 ? 446 PRO A CG 1 ATOM 3378 C CD . PRO A 1 446 ? 5.243 -30.429 -47.800 1.00 24.17 ? 446 PRO A CD 1 ATOM 3379 N N . HIS A 1 447 ? 4.713 -34.462 -49.942 1.00 31.14 ? 447 HIS A N 1 ATOM 3380 C CA . HIS A 1 447 ? 4.138 -35.051 -51.152 1.00 30.38 ? 447 HIS A CA 1 ATOM 3381 C C . HIS A 1 447 ? 3.223 -34.088 -51.900 1.00 39.49 ? 447 HIS A C 1 ATOM 3382 O O . HIS A 1 447 ? 2.121 -33.785 -51.439 1.00 42.23 ? 447 HIS A O 1 ATOM 3383 C CB . HIS A 1 447 ? 3.344 -36.305 -50.746 1.00 30.88 ? 447 HIS A CB 1 ATOM 3384 C CG . HIS A 1 447 ? 2.947 -37.205 -51.884 1.00 34.24 ? 447 HIS A CG 1 ATOM 3385 N ND1 . HIS A 1 447 ? 3.858 -37.937 -52.617 1.00 41.68 ? 447 HIS A ND1 1 ATOM 3386 C CD2 . HIS A 1 447 ? 1.725 -37.542 -52.369 1.00 31.61 ? 447 HIS A CD2 1 ATOM 3387 C CE1 . HIS A 1 447 ? 3.220 -38.660 -53.521 1.00 40.96 ? 447 HIS A CE1 1 ATOM 3388 N NE2 . HIS A 1 447 ? 1.923 -38.440 -53.389 1.00 33.39 ? 447 HIS A NE2 1 ATOM 3389 N N . GLY A 1 448 ? 3.701 -33.595 -53.042 1.00 38.85 ? 448 GLY A N 1 ATOM 3390 C CA . GLY A 1 448 ? 2.868 -32.847 -53.962 1.00 31.13 ? 448 GLY A CA 1 ATOM 3391 C C . GLY A 1 448 ? 3.104 -31.358 -53.954 1.00 27.30 ? 448 GLY A C 1 ATOM 3392 O O . GLY A 1 448 ? 2.395 -30.612 -54.620 1.00 33.25 ? 448 GLY A O 1 ATOM 3393 N N . TYR A 1 449 ? 4.104 -30.918 -53.204 1.00 30.93 ? 449 TYR A N 1 ATOM 3394 C CA . TYR A 1 449 ? 4.362 -29.485 -53.074 1.00 37.86 ? 449 TYR A CA 1 ATOM 3395 C C . TYR A 1 449 ? 5.511 -28.972 -53.932 1.00 41.01 ? 449 TYR A C 1 ATOM 3396 O O . TYR A 1 449 ? 6.037 -27.880 -53.709 1.00 43.91 ? 449 TYR A O 1 ATOM 3397 C CB . TYR A 1 449 ? 4.486 -29.082 -51.600 1.00 38.51 ? 449 TYR A CB 1 ATOM 3398 C CG . TYR A 1 449 ? 3.111 -28.877 -51.048 1.00 37.91 ? 449 TYR A CG 1 ATOM 3399 C CD1 . TYR A 1 449 ? 2.488 -27.650 -51.168 1.00 45.50 ? 449 TYR A CD1 1 ATOM 3400 C CD2 . TYR A 1 449 ? 2.394 -29.929 -50.497 1.00 31.92 ? 449 TYR A CD2 1 ATOM 3401 C CE1 . TYR A 1 449 ? 1.204 -27.453 -50.709 1.00 46.13 ? 449 TYR A CE1 1 ATOM 3402 C CE2 . TYR A 1 449 ? 1.098 -29.740 -50.031 1.00 29.50 ? 449 TYR A CE2 1 ATOM 3403 C CZ . TYR A 1 449 ? 0.514 -28.496 -50.148 1.00 35.21 ? 449 TYR A CZ 1 ATOM 3404 O OH . TYR A 1 449 ? -0.764 -28.269 -49.718 1.00 39.19 ? 449 TYR A OH 1 ATOM 3405 N N . GLU A 1 450 ? 5.888 -29.773 -54.922 1.00 40.84 ? 450 GLU A N 1 ATOM 3406 C CA . GLU A 1 450 ? 6.813 -29.315 -55.936 1.00 37.25 ? 450 GLU A CA 1 ATOM 3407 C C . GLU A 1 450 ? 5.956 -28.847 -57.089 1.00 35.06 ? 450 GLU A C 1 ATOM 3408 O O . GLU A 1 450 ? 6.361 -27.988 -57.864 1.00 38.15 ? 450 GLU A O 1 ATOM 3409 C CB . GLU A 1 450 ? 7.765 -30.426 -56.388 1.00 31.99 ? 450 GLU A CB 1 ATOM 3410 C CG . GLU A 1 450 ? 7.189 -31.387 -57.422 1.00 43.88 ? 450 GLU A CG 1 ATOM 3411 C CD . GLU A 1 450 ? 6.528 -32.621 -56.816 1.00 52.34 ? 450 GLU A CD 1 ATOM 3412 O OE1 . GLU A 1 450 ? 5.669 -32.467 -55.916 1.00 52.74 ? 450 GLU A OE1 1 ATOM 3413 O OE2 . GLU A 1 450 ? 6.878 -33.746 -57.251 1.00 53.21 ? 450 GLU A OE2 1 ATOM 3414 N N . ILE A 1 451 ? 4.749 -29.396 -57.175 1.00 30.92 ? 451 ILE A N 1 ATOM 3415 C CA . ILE A 1 451 ? 3.910 -29.162 -58.337 1.00 32.06 ? 451 ILE A CA 1 ATOM 3416 C C . ILE A 1 451 ? 3.692 -27.677 -58.552 1.00 33.54 ? 451 ILE A C 1 ATOM 3417 O O . ILE A 1 451 ? 3.879 -27.186 -59.659 1.00 39.29 ? 451 ILE A O 1 ATOM 3418 C CB . ILE A 1 451 ? 2.544 -29.874 -58.249 1.00 30.59 ? 451 ILE A CB 1 ATOM 3419 C CG1 . ILE A 1 451 ? 2.715 -31.356 -57.906 1.00 27.94 ? 451 ILE A CG1 1 ATOM 3420 C CG2 . ILE A 1 451 ? 1.783 -29.711 -59.568 1.00 28.01 ? 451 ILE A CG2 1 ATOM 3421 C CD1 . ILE A 1 451 ? 1.446 -32.165 -58.101 1.00 29.59 ? 451 ILE A CD1 1 ATOM 3422 N N . GLU A 1 452 ? 3.334 -26.958 -57.492 1.00 29.79 ? 452 GLU A N 1 ATOM 3423 C CA . GLU A 1 452 ? 2.988 -25.548 -57.639 1.00 27.05 ? 452 GLU A CA 1 ATOM 3424 C C . GLU A 1 452 ? 4.139 -24.701 -58.163 1.00 27.39 ? 452 GLU A C 1 ATOM 3425 O O . GLU A 1 452 ? 3.918 -23.597 -58.653 1.00 27.98 ? 452 GLU A O 1 ATOM 3426 C CB . GLU A 1 452 ? 2.404 -24.956 -56.349 1.00 30.02 ? 452 GLU A CB 1 ATOM 3427 C CG . GLU A 1 452 ? 3.326 -24.957 -55.130 1.00 38.78 ? 452 GLU A CG 1 ATOM 3428 C CD . GLU A 1 452 ? 2.622 -24.454 -53.871 1.00 47.26 ? 452 GLU A CD 1 ATOM 3429 O OE1 . GLU A 1 452 ? 1.708 -25.142 -53.360 1.00 46.27 ? 452 GLU A OE1 1 ATOM 3430 O OE2 . GLU A 1 452 ? 2.979 -23.360 -53.391 1.00 54.95 ? 452 GLU A OE2 1 ATOM 3431 N N . PHE A 1 453 ? 5.360 -25.225 -58.092 1.00 29.83 ? 453 PHE A N 1 ATOM 3432 C CA . PHE A 1 453 ? 6.526 -24.480 -58.573 1.00 36.78 ? 453 PHE A CA 1 ATOM 3433 C C . PHE A 1 453 ? 6.879 -24.788 -60.027 1.00 30.75 ? 453 PHE A C 1 ATOM 3434 O O . PHE A 1 453 ? 7.408 -23.929 -60.734 1.00 27.42 ? 453 PHE A O 1 ATOM 3435 C CB . PHE A 1 453 ? 7.738 -24.716 -57.670 1.00 37.32 ? 453 PHE A CB 1 ATOM 3436 C CG . PHE A 1 453 ? 7.611 -24.080 -56.322 1.00 46.53 ? 453 PHE A CG 1 ATOM 3437 C CD1 . PHE A 1 453 ? 6.876 -24.694 -55.316 1.00 46.82 ? 453 PHE A CD1 1 ATOM 3438 C CD2 . PHE A 1 453 ? 8.220 -22.866 -56.057 1.00 50.31 ? 453 PHE A CD2 1 ATOM 3439 C CE1 . PHE A 1 453 ? 6.756 -24.108 -54.069 1.00 46.71 ? 453 PHE A CE1 1 ATOM 3440 C CE2 . PHE A 1 453 ? 8.105 -22.274 -54.809 1.00 49.04 ? 453 PHE A CE2 1 ATOM 3441 C CZ . PHE A 1 453 ? 7.373 -22.896 -53.816 1.00 47.91 ? 453 PHE A CZ 1 ATOM 3442 N N . ILE A 1 454 ? 6.589 -26.015 -60.452 1.00 25.07 ? 454 ILE A N 1 ATOM 3443 C CA . ILE A 1 454 ? 6.855 -26.470 -61.805 1.00 26.02 ? 454 ILE A CA 1 ATOM 3444 C C . ILE A 1 454 ? 5.918 -25.736 -62.765 1.00 40.29 ? 454 ILE A C 1 ATOM 3445 O O . ILE A 1 454 ? 6.286 -25.393 -63.896 1.00 47.54 ? 454 ILE A O 1 ATOM 3446 C CB . ILE A 1 454 ? 6.594 -27.981 -61.947 1.00 28.03 ? 454 ILE A CB 1 ATOM 3447 C CG1 . ILE A 1 454 ? 7.292 -28.795 -60.849 1.00 22.64 ? 454 ILE A CG1 1 ATOM 3448 C CG2 . ILE A 1 454 ? 7.039 -28.458 -63.314 1.00 38.15 ? 454 ILE A CG2 1 ATOM 3449 C CD1 . ILE A 1 454 ? 8.758 -29.001 -61.075 1.00 23.00 ? 454 ILE A CD1 1 ATOM 3450 N N . PHE A 1 455 ? 4.698 -25.491 -62.306 1.00 35.06 ? 455 PHE A N 1 ATOM 3451 C CA . PHE A 1 455 ? 3.719 -24.782 -63.113 1.00 36.44 ? 455 PHE A CA 1 ATOM 3452 C C . PHE A 1 455 ? 3.842 -23.264 -62.951 1.00 40.45 ? 455 PHE A C 1 ATOM 3453 O O . PHE A 1 455 ? 2.960 -22.520 -63.380 1.00 47.48 ? 455 PHE A O 1 ATOM 3454 C CB . PHE A 1 455 ? 2.303 -25.215 -62.728 1.00 42.81 ? 455 PHE A CB 1 ATOM 3455 C CG . PHE A 1 455 ? 1.854 -26.524 -63.346 1.00 37.74 ? 455 PHE A CG 1 ATOM 3456 C CD1 . PHE A 1 455 ? 2.531 -27.709 -63.088 1.00 34.49 ? 455 PHE A CD1 1 ATOM 3457 C CD2 . PHE A 1 455 ? 0.712 -26.570 -64.147 1.00 35.82 ? 455 PHE A CD2 1 ATOM 3458 C CE1 . PHE A 1 455 ? 2.094 -28.912 -63.653 1.00 39.70 ? 455 PHE A CE1 1 ATOM 3459 C CE2 . PHE A 1 455 ? 0.267 -27.763 -64.703 1.00 22.57 ? 455 PHE A CE2 1 ATOM 3460 C CZ . PHE A 1 455 ? 0.956 -28.933 -64.462 1.00 40.82 ? 455 PHE A CZ 1 ATOM 3461 N N . GLY A 1 456 ? 4.913 -22.808 -62.307 1.00 36.38 ? 456 GLY A N 1 ATOM 3462 C CA . GLY A 1 456 ? 5.185 -21.384 -62.181 1.00 37.67 ? 456 GLY A CA 1 ATOM 3463 C C . GLY A 1 456 ? 4.108 -20.585 -61.473 1.00 39.44 ? 456 GLY A C 1 ATOM 3464 O O . GLY A 1 456 ? 3.997 -19.372 -61.656 1.00 43.95 ? 456 GLY A O 1 ATOM 3465 N N . ILE A 1 457 ? 3.314 -21.274 -60.660 1.00 35.95 ? 457 ILE A N 1 ATOM 3466 C CA . ILE A 1 457 ? 2.272 -20.643 -59.848 1.00 37.26 ? 457 ILE A CA 1 ATOM 3467 C C . ILE A 1 457 ? 2.724 -19.461 -58.949 1.00 41.09 ? 457 ILE A C 1 ATOM 3468 O O . ILE A 1 457 ? 1.965 -18.514 -58.761 1.00 42.35 ? 457 ILE A O 1 ATOM 3469 C CB . ILE A 1 457 ? 1.481 -21.703 -59.057 1.00 28.61 ? 457 ILE A CB 1 ATOM 3470 C CG1 . ILE A 1 457 ? 0.642 -22.553 -60.015 1.00 34.85 ? 457 ILE A CG1 1 ATOM 3471 C CG2 . ILE A 1 457 ? 0.581 -21.052 -58.038 1.00 38.65 ? 457 ILE A CG2 1 ATOM 3472 C CD1 . ILE A 1 457 ? -0.576 -21.818 -60.589 1.00 28.32 ? 457 ILE A CD1 1 ATOM 3473 N N . PRO A 1 458 ? 3.955 -19.500 -58.404 1.00 31.76 ? 458 PRO A N 1 ATOM 3474 C CA . PRO A 1 458 ? 4.501 -18.300 -57.763 1.00 50.42 ? 458 PRO A CA 1 ATOM 3475 C C . PRO A 1 458 ? 4.335 -16.991 -58.553 1.00 51.56 ? 458 PRO A C 1 ATOM 3476 O O . PRO A 1 458 ? 4.266 -15.922 -57.930 1.00 58.34 ? 458 PRO A O 1 ATOM 3477 C CB . PRO A 1 458 ? 5.991 -18.628 -57.645 1.00 33.50 ? 458 PRO A CB 1 ATOM 3478 C CG . PRO A 1 458 ? 6.044 -20.091 -57.514 1.00 31.62 ? 458 PRO A CG 1 ATOM 3479 C CD . PRO A 1 458 ? 4.818 -20.671 -58.161 1.00 47.83 ? 458 PRO A CD 1 ATOM 3480 N N . LEU A 1 459 ? 4.277 -17.066 -59.883 1.00 42.73 ? 459 LEU A N 1 ATOM 3481 C CA . LEU A 1 459 ? 4.217 -15.856 -60.711 1.00 50.26 ? 459 LEU A CA 1 ATOM 3482 C C . LEU A 1 459 ? 2.861 -15.154 -60.613 1.00 48.71 ? 459 LEU A C 1 ATOM 3483 O O . LEU A 1 459 ? 2.747 -13.954 -60.907 1.00 44.16 ? 459 LEU A O 1 ATOM 3484 C CB . LEU A 1 459 ? 4.553 -16.167 -62.175 1.00 46.65 ? 459 LEU A CB 1 ATOM 3485 C CG . LEU A 1 459 ? 5.927 -16.778 -62.442 1.00 43.17 ? 459 LEU A CG 1 ATOM 3486 C CD1 . LEU A 1 459 ? 6.090 -17.059 -63.917 1.00 50.06 ? 459 LEU A CD1 1 ATOM 3487 C CD2 . LEU A 1 459 ? 7.015 -15.849 -61.959 1.00 40.24 ? 459 LEU A CD2 1 ATOM 3488 N N . ASP A 1 460 ? 1.847 -15.919 -60.207 1.00 43.64 ? 460 ASP A N 1 ATOM 3489 C CA . ASP A 1 460 ? 0.502 -15.411 -59.973 1.00 49.67 ? 460 ASP A CA 1 ATOM 3490 C C . ASP A 1 460 ? 0.590 -14.297 -58.931 1.00 62.28 ? 460 ASP A C 1 ATOM 3491 O O . ASP A 1 460 ? 1.011 -14.532 -57.791 1.00 69.33 ? 460 ASP A O 1 ATOM 3492 C CB . ASP A 1 460 ? -0.395 -16.556 -59.484 1.00 54.65 ? 460 ASP A CB 1 ATOM 3493 C CG . ASP A 1 460 ? -1.880 -16.201 -59.478 1.00 64.13 ? 460 ASP A CG 1 ATOM 3494 O OD1 . ASP A 1 460 ? -2.221 -14.994 -59.519 1.00 62.71 ? 460 ASP A OD1 1 ATOM 3495 O OD2 . ASP A 1 460 ? -2.707 -17.147 -59.414 1.00 67.75 ? 460 ASP A OD2 1 ATOM 3496 N N . PRO A 1 461 ? 0.216 -13.070 -59.328 1.00 63.44 ? 461 PRO A N 1 ATOM 3497 C CA . PRO A 1 461 ? 0.341 -11.889 -58.463 1.00 61.82 ? 461 PRO A CA 1 ATOM 3498 C C . PRO A 1 461 ? -0.575 -11.943 -57.240 1.00 56.76 ? 461 PRO A C 1 ATOM 3499 O O . PRO A 1 461 ? -0.220 -11.424 -56.182 1.00 54.69 ? 461 PRO A O 1 ATOM 3500 C CB . PRO A 1 461 ? -0.067 -10.734 -59.391 1.00 63.01 ? 461 PRO A CB 1 ATOM 3501 C CG . PRO A 1 461 ? -0.908 -11.371 -60.454 1.00 58.54 ? 461 PRO A CG 1 ATOM 3502 C CD . PRO A 1 461 ? -0.321 -12.731 -60.659 1.00 59.45 ? 461 PRO A CD 1 ATOM 3503 N N . SER A 1 462 ? -1.742 -12.557 -57.397 1.00 58.23 ? 462 SER A N 1 ATOM 3504 C CA . SER A 1 462 ? -2.711 -12.681 -56.314 1.00 65.17 ? 462 SER A CA 1 ATOM 3505 C C . SER A 1 462 ? -2.150 -13.546 -55.200 1.00 70.83 ? 462 SER A C 1 ATOM 3506 O O . SER A 1 462 ? -2.446 -13.334 -54.027 1.00 72.23 ? 462 SER A O 1 ATOM 3507 C CB . SER A 1 462 ? -4.013 -13.286 -56.838 1.00 70.08 ? 462 SER A CB 1 ATOM 3508 O OG . SER A 1 462 ? -3.756 -14.362 -57.733 1.00 71.95 ? 462 SER A OG 1 ATOM 3509 N N . ARG A 1 463 ? -1.338 -14.523 -55.590 1.00 77.14 ? 463 ARG A N 1 ATOM 3510 C CA . ARG A 1 463 ? -0.674 -15.411 -54.650 1.00 77.12 ? 463 ARG A CA 1 ATOM 3511 C C . ARG A 1 463 ? 0.477 -14.678 -53.984 1.00 79.85 ? 463 ARG A C 1 ATOM 3512 O O . ARG A 1 463 ? 1.180 -13.888 -54.620 1.00 79.80 ? 463 ARG A O 1 ATOM 3513 C CB . ARG A 1 463 ? -0.152 -16.665 -55.359 1.00 78.06 ? 463 ARG A CB 1 ATOM 3514 C CG . ARG A 1 463 ? -1.213 -17.459 -56.104 1.00 82.55 ? 463 ARG A CG 1 ATOM 3515 C CD . ARG A 1 463 ? -1.175 -18.939 -55.741 1.00 86.23 ? 463 ARG A CD 1 ATOM 3516 N NE . ARG A 1 463 ? -1.986 -19.727 -56.661 1.00 86.18 ? 463 ARG A NE 1 ATOM 3517 C CZ . ARG A 1 463 ? -3.304 -19.858 -56.569 1.00 85.89 ? 463 ARG A CZ 1 ATOM 3518 N NH1 . ARG A 1 463 ? -3.968 -19.254 -55.591 1.00 79.19 ? 463 ARG A NH1 1 ATOM 3519 N NH2 . ARG A 1 463 ? -3.956 -20.593 -57.460 1.00 90.71 ? 463 ARG A NH2 1 ATOM 3520 N N . ASN A 1 464 ? 0.665 -14.957 -52.701 1.00 80.70 ? 464 ASN A N 1 ATOM 3521 C CA . ASN A 1 464 ? 1.659 -14.265 -51.897 1.00 74.16 ? 464 ASN A CA 1 ATOM 3522 C C . ASN A 1 464 ? 3.020 -14.983 -51.904 1.00 64.53 ? 464 ASN A C 1 ATOM 3523 O O . ASN A 1 464 ? 3.546 -15.304 -50.846 1.00 70.45 ? 464 ASN A O 1 ATOM 3524 C CB . ASN A 1 464 ? 1.150 -14.094 -50.440 1.00 95.67 ? 464 ASN A CB 1 ATOM 3525 C CG . ASN A 1 464 ? -0.173 -13.291 -50.337 1.00 77.18 ? 464 ASN A CG 1 ATOM 3526 O OD1 . ASN A 1 464 ? -0.799 -12.960 -51.347 1.00 84.37 ? 464 ASN A OD1 1 ATOM 3527 N ND2 . ASN A 1 464 ? -0.594 -12.991 -49.104 1.00 68.33 ? 464 ASN A ND2 1 ATOM 3528 N N . TYR A 1 465 ? 3.594 -15.247 -53.078 1.00 56.39 ? 465 TYR A N 1 ATOM 3529 C CA . TYR A 1 465 ? 4.932 -15.869 -53.130 1.00 51.74 ? 465 TYR A CA 1 ATOM 3530 C C . TYR A 1 465 ? 6.058 -14.835 -53.084 1.00 57.28 ? 465 TYR A C 1 ATOM 3531 O O . TYR A 1 465 ? 5.862 -13.676 -53.463 1.00 62.54 ? 465 TYR A O 1 ATOM 3532 C CB . TYR A 1 465 ? 5.108 -16.785 -54.353 1.00 40.74 ? 465 TYR A CB 1 ATOM 3533 C CG . TYR A 1 465 ? 4.304 -18.056 -54.287 1.00 42.43 ? 465 TYR A CG 1 ATOM 3534 C CD1 . TYR A 1 465 ? 2.953 -18.043 -54.580 1.00 52.27 ? 465 TYR A CD1 1 ATOM 3535 C CD2 . TYR A 1 465 ? 4.889 -19.270 -53.934 1.00 33.04 ? 465 TYR A CD2 1 ATOM 3536 C CE1 . TYR A 1 465 ? 2.191 -19.194 -54.524 1.00 54.95 ? 465 TYR A CE1 1 ATOM 3537 C CE2 . TYR A 1 465 ? 4.130 -20.436 -53.876 1.00 31.40 ? 465 TYR A CE2 1 ATOM 3538 C CZ . TYR A 1 465 ? 2.773 -20.381 -54.174 1.00 49.44 ? 465 TYR A CZ 1 ATOM 3539 O OH . TYR A 1 465 ? 1.964 -21.492 -54.138 1.00 40.97 ? 465 TYR A OH 1 ATOM 3540 N N . THR A 1 466 ? 7.237 -15.266 -52.634 1.00 57.38 ? 466 THR A N 1 ATOM 3541 C CA . THR A 1 466 ? 8.399 -14.378 -52.511 1.00 61.62 ? 466 THR A CA 1 ATOM 3542 C C . THR A 1 466 ? 9.164 -14.194 -53.825 1.00 62.55 ? 466 THR A C 1 ATOM 3543 O O . THR A 1 466 ? 9.002 -14.969 -54.769 1.00 67.82 ? 466 THR A O 1 ATOM 3544 C CB . THR A 1 466 ? 9.391 -14.885 -51.452 1.00 58.15 ? 466 THR A CB 1 ATOM 3545 O OG1 . THR A 1 466 ? 10.347 -15.755 -52.067 1.00 58.15 ? 466 THR A OG1 1 ATOM 3546 C CG2 . THR A 1 466 ? 8.663 -15.641 -50.380 1.00 58.58 ? 466 THR A CG2 1 ATOM 3547 N N . ALA A 1 467 ? 10.013 -13.176 -53.867 1.00 54.60 ? 467 ALA A N 1 ATOM 3548 C CA . ALA A 1 467 ? 10.718 -12.838 -55.090 1.00 58.77 ? 467 ALA A CA 1 ATOM 3549 C C . ALA A 1 467 ? 11.612 -13.974 -55.578 1.00 62.27 ? 467 ALA A C 1 ATOM 3550 O O . ALA A 1 467 ? 11.626 -14.295 -56.767 1.00 69.09 ? 467 ALA A O 1 ATOM 3551 C CB . ALA A 1 467 ? 11.525 -11.572 -54.896 1.00 63.11 ? 467 ALA A CB 1 ATOM 3552 N N . GLU A 1 468 ? 12.342 -14.587 -54.652 1.00 59.55 ? 468 GLU A N 1 ATOM 3553 C CA . GLU A 1 468 ? 13.331 -15.607 -54.994 1.00 61.09 ? 468 GLU A CA 1 ATOM 3554 C C . GLU A 1 468 ? 12.664 -16.939 -55.326 1.00 53.71 ? 468 GLU A C 1 ATOM 3555 O O . GLU A 1 468 ? 13.263 -17.811 -55.972 1.00 52.03 ? 468 GLU A O 1 ATOM 3556 C CB . GLU A 1 468 ? 14.331 -15.775 -53.847 1.00 72.15 ? 468 GLU A CB 1 ATOM 3557 C CG . GLU A 1 468 ? 13.979 -14.973 -52.584 1.00 82.54 ? 468 GLU A CG 1 ATOM 3558 C CD . GLU A 1 468 ? 14.051 -15.809 -51.307 1.00 87.34 ? 468 GLU A CD 1 ATOM 3559 O OE1 . GLU A 1 468 ? 15.166 -16.235 -50.920 1.00 85.18 ? 468 GLU A OE1 1 ATOM 3560 O OE2 . GLU A 1 468 ? 12.985 -16.046 -50.692 1.00 87.26 ? 468 GLU A OE2 1 ATOM 3561 N N . GLU A 1 469 ? 11.422 -17.081 -54.870 1.00 45.08 ? 469 GLU A N 1 ATOM 3562 C CA . GLU A 1 469 ? 10.586 -18.219 -55.223 1.00 43.74 ? 469 GLU A CA 1 ATOM 3563 C C . GLU A 1 469 ? 10.049 -18.081 -56.645 1.00 48.38 ? 469 GLU A C 1 ATOM 3564 O O . GLU A 1 469 ? 9.940 -19.071 -57.373 1.00 49.29 ? 469 GLU A O 1 ATOM 3565 C CB . GLU A 1 469 ? 9.421 -18.344 -54.248 1.00 45.48 ? 469 GLU A CB 1 ATOM 3566 C CG . GLU A 1 469 ? 9.841 -18.723 -52.846 1.00 50.79 ? 469 GLU A CG 1 ATOM 3567 C CD . GLU A 1 469 ? 8.664 -19.076 -51.958 1.00 51.81 ? 469 GLU A CD 1 ATOM 3568 O OE1 . GLU A 1 469 ? 7.706 -18.274 -51.892 1.00 50.54 ? 469 GLU A OE1 1 ATOM 3569 O OE2 . GLU A 1 469 ? 8.697 -20.162 -51.331 1.00 51.24 ? 469 GLU A OE2 1 ATOM 3570 N N . LYS A 1 470 ? 9.700 -16.851 -57.024 1.00 46.52 ? 470 LYS A N 1 ATOM 3571 C CA . LYS A 1 470 ? 9.312 -16.546 -58.396 1.00 41.37 ? 470 LYS A CA 1 ATOM 3572 C C . LYS A 1 470 ? 10.439 -16.949 -59.331 1.00 41.95 ? 470 LYS A C 1 ATOM 3573 O O . LYS A 1 470 ? 10.242 -17.768 -60.223 1.00 46.89 ? 470 LYS A O 1 ATOM 3574 C CB . LYS A 1 470 ? 8.942 -15.066 -58.557 1.00 43.14 ? 470 LYS A CB 1 ATOM 3575 C CG . LYS A 1 470 ? 7.509 -14.754 -58.089 1.00 52.25 ? 470 LYS A CG 1 ATOM 3576 C CD . LYS A 1 470 ? 7.143 -13.268 -58.167 1.00 57.75 ? 470 LYS A CD 1 ATOM 3577 C CE . LYS A 1 470 ? 5.810 -12.978 -57.465 1.00 54.23 ? 470 LYS A CE 1 ATOM 3578 N NZ . LYS A 1 470 ? 5.671 -11.535 -57.093 1.00 53.67 ? 470 LYS A NZ 1 ATOM 3579 N N . ILE A 1 471 ? 11.622 -16.393 -59.090 1.00 43.51 ? 471 ILE A N 1 ATOM 3580 C CA . ILE A 1 471 ? 12.853 -16.797 -59.778 1.00 46.43 ? 471 ILE A CA 1 ATOM 3581 C C . ILE A 1 471 ? 13.077 -18.306 -59.733 1.00 52.19 ? 471 ILE A C 1 ATOM 3582 O O . ILE A 1 471 ? 13.474 -18.911 -60.731 1.00 61.80 ? 471 ILE A O 1 ATOM 3583 C CB . ILE A 1 471 ? 14.088 -16.099 -59.163 1.00 45.97 ? 471 ILE A CB 1 ATOM 3584 C CG1 . ILE A 1 471 ? 14.321 -14.740 -59.816 1.00 43.09 ? 471 ILE A CG1 1 ATOM 3585 C CG2 . ILE A 1 471 ? 15.325 -16.949 -59.305 1.00 40.46 ? 471 ILE A CG2 1 ATOM 3586 C CD1 . ILE A 1 471 ? 13.956 -13.569 -58.921 1.00 45.88 ? 471 ILE A CD1 1 ATOM 3587 N N . PHE A 1 472 ? 12.825 -18.909 -58.576 1.00 44.44 ? 472 PHE A N 1 ATOM 3588 C CA . PHE A 1 472 ? 13.007 -20.341 -58.426 1.00 39.42 ? 472 PHE A CA 1 ATOM 3589 C C . PHE A 1 472 ? 12.149 -21.105 -59.435 1.00 38.11 ? 472 PHE A C 1 ATOM 3590 O O . PHE A 1 472 ? 12.652 -21.985 -60.134 1.00 42.49 ? 472 PHE A O 1 ATOM 3591 C CB . PHE A 1 472 ? 12.692 -20.772 -56.992 1.00 39.49 ? 472 PHE A CB 1 ATOM 3592 C CG . PHE A 1 472 ? 12.990 -22.227 -56.702 1.00 42.50 ? 472 PHE A CG 1 ATOM 3593 C CD1 . PHE A 1 472 ? 14.201 -22.797 -57.082 1.00 44.90 ? 472 PHE A CD1 1 ATOM 3594 C CD2 . PHE A 1 472 ? 12.066 -23.020 -56.021 1.00 38.13 ? 472 PHE A CD2 1 ATOM 3595 C CE1 . PHE A 1 472 ? 14.474 -24.141 -56.803 1.00 40.22 ? 472 PHE A CE1 1 ATOM 3596 C CE2 . PHE A 1 472 ? 12.338 -24.366 -55.739 1.00 29.56 ? 472 PHE A CE2 1 ATOM 3597 C CZ . PHE A 1 472 ? 13.540 -24.921 -56.131 1.00 33.00 ? 472 PHE A CZ 1 ATOM 3598 N N . ALA A 1 473 ? 10.870 -20.747 -59.531 1.00 36.26 ? 473 ALA A N 1 ATOM 3599 C CA . ALA A 1 473 ? 9.938 -21.423 -60.441 1.00 43.21 ? 473 ALA A CA 1 ATOM 3600 C C . ALA A 1 473 ? 10.382 -21.313 -61.897 1.00 48.44 ? 473 ALA A C 1 ATOM 3601 O O . ALA A 1 473 ? 10.249 -22.258 -62.682 1.00 49.20 ? 473 ALA A O 1 ATOM 3602 C CB . ALA A 1 473 ? 8.538 -20.861 -60.282 1.00 31.36 ? 473 ALA A CB 1 ATOM 3603 N N . GLN A 1 474 ? 10.906 -20.144 -62.247 1.00 43.44 ? 474 GLN A N 1 ATOM 3604 C CA . GLN A 1 474 ? 11.367 -19.875 -63.595 1.00 40.83 ? 474 GLN A CA 1 ATOM 3605 C C . GLN A 1 474 ? 12.556 -20.731 -63.938 1.00 40.22 ? 474 GLN A C 1 ATOM 3606 O O . GLN A 1 474 ? 12.711 -21.174 -65.078 1.00 45.84 ? 474 GLN A O 1 ATOM 3607 C CB . GLN A 1 474 ? 11.738 -18.412 -63.717 1.00 36.36 ? 474 GLN A CB 1 ATOM 3608 C CG . GLN A 1 474 ? 10.546 -17.526 -63.543 1.00 57.03 ? 474 GLN A CG 1 ATOM 3609 C CD . GLN A 1 474 ? 10.876 -16.085 -63.755 1.00 58.21 ? 474 GLN A CD 1 ATOM 3610 O OE1 . GLN A 1 474 ? 11.970 -15.627 -63.418 1.00 58.57 ? 474 GLN A OE1 1 ATOM 3611 N NE2 . GLN A 1 474 ? 9.933 -15.349 -64.324 1.00 61.03 ? 474 GLN A NE2 1 ATOM 3612 N N . ARG A 1 475 ? 13.399 -20.951 -62.939 1.00 36.20 ? 475 ARG A N 1 ATOM 3613 C CA . ARG A 1 475 ? 14.552 -21.807 -63.101 1.00 39.86 ? 475 ARG A CA 1 ATOM 3614 C C . ARG A 1 475 ? 14.043 -23.210 -63.328 1.00 41.48 ? 475 ARG A C 1 ATOM 3615 O O . ARG A 1 475 ? 14.557 -23.938 -64.176 1.00 44.95 ? 475 ARG A O 1 ATOM 3616 C CB . ARG A 1 475 ? 15.430 -21.756 -61.848 1.00 44.79 ? 475 ARG A CB 1 ATOM 3617 C CG . ARG A 1 475 ? 16.667 -22.625 -61.951 1.00 46.35 ? 475 ARG A CG 1 ATOM 3618 C CD . ARG A 1 475 ? 17.759 -22.165 -61.019 1.00 47.16 ? 475 ARG A CD 1 ATOM 3619 N NE . ARG A 1 475 ? 18.308 -23.296 -60.286 1.00 49.76 ? 475 ARG A NE 1 ATOM 3620 C CZ . ARG A 1 475 ? 18.043 -23.533 -59.009 1.00 47.94 ? 475 ARG A CZ 1 ATOM 3621 N NH1 . ARG A 1 475 ? 17.255 -22.694 -58.349 1.00 52.46 ? 475 ARG A NH1 1 ATOM 3622 N NH2 . ARG A 1 475 ? 18.568 -24.592 -58.395 1.00 35.60 ? 475 ARG A NH2 1 ATOM 3623 N N . LEU A 1 476 ? 13.010 -23.568 -62.571 1.00 30.50 ? 476 LEU A N 1 ATOM 3624 C CA . LEU A 1 476 ? 12.423 -24.897 -62.618 1.00 31.26 ? 476 LEU A CA 1 ATOM 3625 C C . LEU A 1 476 ? 11.673 -25.184 -63.912 1.00 36.14 ? 476 LEU A C 1 ATOM 3626 O O . LEU A 1 476 ? 11.770 -26.285 -64.459 1.00 37.14 ? 476 LEU A O 1 ATOM 3627 C CB . LEU A 1 476 ? 11.468 -25.083 -61.449 1.00 35.84 ? 476 LEU A CB 1 ATOM 3628 C CG . LEU A 1 476 ? 12.109 -25.333 -60.096 1.00 39.02 ? 476 LEU A CG 1 ATOM 3629 C CD1 . LEU A 1 476 ? 11.030 -25.790 -59.132 1.00 40.81 ? 476 LEU A CD1 1 ATOM 3630 C CD2 . LEU A 1 476 ? 13.210 -26.369 -60.236 1.00 37.49 ? 476 LEU A CD2 1 ATOM 3631 N N . MET A 1 477 ? 10.904 -24.208 -64.388 1.00 39.89 ? 477 MET A N 1 ATOM 3632 C CA . MET A 1 477 ? 10.189 -24.359 -65.650 1.00 41.25 ? 477 MET A CA 1 ATOM 3633 C C . MET A 1 477 ? 11.182 -24.565 -66.791 1.00 42.51 ? 477 MET A C 1 ATOM 3634 O O . MET A 1 477 ? 11.003 -25.440 -67.646 1.00 28.36 ? 477 MET A O 1 ATOM 3635 C CB . MET A 1 477 ? 9.312 -23.141 -65.906 1.00 29.59 ? 477 MET A CB 1 ATOM 3636 C CG . MET A 1 477 ? 8.146 -23.041 -64.947 1.00 31.36 ? 477 MET A CG 1 ATOM 3637 S SD . MET A 1 477 ? 7.018 -21.685 -65.321 1.00 55.07 ? 477 MET A SD 1 ATOM 3638 C CE . MET A 1 477 ? 8.205 -20.353 -65.354 1.00 32.37 ? 477 MET A CE 1 ATOM 3639 N N . ARG A 1 478 ? 12.243 -23.763 -66.776 1.00 37.61 ? 478 ARG A N 1 ATOM 3640 C CA . ARG A 1 478 ? 13.319 -23.900 -67.746 1.00 37.44 ? 478 ARG A CA 1 ATOM 3641 C C . ARG A 1 478 ? 13.932 -25.295 -67.692 1.00 34.44 ? 478 ARG A C 1 ATOM 3642 O O . ARG A 1 478 ? 14.102 -25.927 -68.728 1.00 41.45 ? 478 ARG A O 1 ATOM 3643 C CB . ARG A 1 478 ? 14.381 -22.819 -67.543 1.00 51.83 ? 478 ARG A CB 1 ATOM 3644 C CG . ARG A 1 478 ? 15.671 -23.057 -68.313 1.00 63.31 ? 478 ARG A CG 1 ATOM 3645 C CD . ARG A 1 478 ? 15.637 -22.507 -69.736 1.00 64.93 ? 478 ARG A CD 1 ATOM 3646 N NE . ARG A 1 478 ? 15.904 -21.072 -69.780 1.00 64.25 ? 478 ARG A NE 1 ATOM 3647 C CZ . ARG A 1 478 ? 14.959 -20.145 -69.898 1.00 62.21 ? 478 ARG A CZ 1 ATOM 3648 N NH1 . ARG A 1 478 ? 13.687 -20.513 -69.986 1.00 56.93 ? 478 ARG A NH1 1 ATOM 3649 N NH2 . ARG A 1 478 ? 15.283 -18.854 -69.932 1.00 62.92 ? 478 ARG A NH2 1 ATOM 3650 N N . TYR A 1 479 ? 14.253 -25.784 -66.496 1.00 35.81 ? 479 TYR A N 1 ATOM 3651 C CA . TYR A 1 479 ? 14.736 -27.164 -66.354 1.00 38.84 ? 479 TYR A CA 1 ATOM 3652 C C . TYR A 1 479 ? 13.803 -28.141 -67.071 1.00 36.60 ? 479 TYR A C 1 ATOM 3653 O O . TYR A 1 479 ? 14.248 -28.967 -67.861 1.00 34.77 ? 479 TYR A O 1 ATOM 3654 C CB . TYR A 1 479 ? 14.876 -27.577 -64.876 1.00 36.04 ? 479 TYR A CB 1 ATOM 3655 C CG . TYR A 1 479 ? 16.080 -26.991 -64.150 1.00 42.37 ? 479 TYR A CG 1 ATOM 3656 C CD1 . TYR A 1 479 ? 17.258 -26.710 -64.824 1.00 45.52 ? 479 TYR A CD1 1 ATOM 3657 C CD2 . TYR A 1 479 ? 16.032 -26.718 -62.787 1.00 45.09 ? 479 TYR A CD2 1 ATOM 3658 C CE1 . TYR A 1 479 ? 18.353 -26.176 -64.163 1.00 49.21 ? 479 TYR A CE1 1 ATOM 3659 C CE2 . TYR A 1 479 ? 17.125 -26.180 -62.119 1.00 46.03 ? 479 TYR A CE2 1 ATOM 3660 C CZ . TYR A 1 479 ? 18.284 -25.911 -62.813 1.00 46.81 ? 479 TYR A CZ 1 ATOM 3661 O OH . TYR A 1 479 ? 19.380 -25.369 -62.166 1.00 47.92 ? 479 TYR A OH 1 ATOM 3662 N N . TRP A 1 480 ? 12.506 -28.019 -66.804 1.00 37.75 ? 480 TRP A N 1 ATOM 3663 C CA . TRP A 1 480 ? 11.516 -28.953 -67.324 1.00 33.56 ? 480 TRP A CA 1 ATOM 3664 C C . TRP A 1 480 ? 11.359 -28.801 -68.832 1.00 43.15 ? 480 TRP A C 1 ATOM 3665 O O . TRP A 1 480 ? 11.275 -29.794 -69.556 1.00 45.09 ? 480 TRP A O 1 ATOM 3666 C CB . TRP A 1 480 ? 10.170 -28.750 -66.619 1.00 29.61 ? 480 TRP A CB 1 ATOM 3667 C CG . TRP A 1 480 ? 9.786 -29.826 -65.589 1.00 35.22 ? 480 TRP A CG 1 ATOM 3668 C CD1 . TRP A 1 480 ? 8.651 -30.598 -65.590 1.00 36.67 ? 480 TRP A CD1 1 ATOM 3669 C CD2 . TRP A 1 480 ? 10.525 -30.218 -64.419 1.00 37.52 ? 480 TRP A CD2 1 ATOM 3670 N NE1 . TRP A 1 480 ? 8.643 -31.444 -64.507 1.00 33.29 ? 480 TRP A NE1 1 ATOM 3671 C CE2 . TRP A 1 480 ? 9.781 -31.232 -63.773 1.00 42.13 ? 480 TRP A CE2 1 ATOM 3672 C CE3 . TRP A 1 480 ? 11.741 -29.814 -63.857 1.00 37.67 ? 480 TRP A CE3 1 ATOM 3673 C CZ2 . TRP A 1 480 ? 10.218 -31.844 -62.595 1.00 47.06 ? 480 TRP A CZ2 1 ATOM 3674 C CZ3 . TRP A 1 480 ? 12.170 -30.424 -62.688 1.00 41.10 ? 480 TRP A CZ3 1 ATOM 3675 C CH2 . TRP A 1 480 ? 11.409 -31.426 -62.070 1.00 43.90 ? 480 TRP A CH2 1 ATOM 3676 N N . ALA A 1 481 ? 11.337 -27.560 -69.312 1.00 46.09 ? 481 ALA A N 1 ATOM 3677 C CA . ALA A 1 481 ? 11.190 -27.316 -70.750 1.00 43.51 ? 481 ALA A CA 1 ATOM 3678 C C . ALA A 1 481 ? 12.389 -27.822 -71.546 1.00 39.38 ? 481 ALA A C 1 ATOM 3679 O O . ALA A 1 481 ? 12.221 -28.521 -72.535 1.00 45.70 ? 481 ALA A O 1 ATOM 3680 C CB . ALA A 1 481 ? 10.948 -25.857 -71.027 1.00 45.44 ? 481 ALA A CB 1 ATOM 3681 N N . ASN A 1 482 ? 13.596 -27.478 -71.114 1.00 31.77 ? 482 ASN A N 1 ATOM 3682 C CA . ASN A 1 482 ? 14.792 -28.054 -71.706 1.00 33.84 ? 482 ASN A CA 1 ATOM 3683 C C . ASN A 1 482 ? 14.732 -29.574 -71.765 1.00 32.67 ? 482 ASN A C 1 ATOM 3684 O O . ASN A 1 482 ? 15.303 -30.190 -72.661 1.00 28.56 ? 482 ASN A O 1 ATOM 3685 C CB . ASN A 1 482 ? 16.034 -27.596 -70.958 1.00 30.56 ? 482 ASN A CB 1 ATOM 3686 C CG . ASN A 1 482 ? 16.138 -26.099 -70.901 1.00 52.02 ? 482 ASN A CG 1 ATOM 3687 O OD1 . ASN A 1 482 ? 15.571 -25.395 -71.732 1.00 58.13 ? 482 ASN A OD1 1 ATOM 3688 N ND2 . ASN A 1 482 ? 16.849 -25.597 -69.916 1.00 52.90 ? 482 ASN A ND2 1 ATOM 3689 N N . PHE A 1 483 ? 14.020 -30.189 -70.830 1.00 29.10 ? 483 PHE A N 1 ATOM 3690 C CA . PHE A 1 483 ? 13.832 -31.622 -70.939 1.00 33.50 ? 483 PHE A CA 1 ATOM 3691 C C . PHE A 1 483 ? 12.884 -31.975 -72.083 1.00 41.51 ? 483 PHE A C 1 ATOM 3692 O O . PHE A 1 483 ? 13.270 -32.713 -72.996 1.00 45.46 ? 483 PHE A O 1 ATOM 3693 C CB . PHE A 1 483 ? 13.372 -32.272 -69.636 1.00 26.45 ? 483 PHE A CB 1 ATOM 3694 C CG . PHE A 1 483 ? 13.383 -33.778 -69.695 1.00 29.95 ? 483 PHE A CG 1 ATOM 3695 C CD1 . PHE A 1 483 ? 14.585 -34.471 -69.681 1.00 23.80 ? 483 PHE A CD1 1 ATOM 3696 C CD2 . PHE A 1 483 ? 12.196 -34.500 -69.796 1.00 26.09 ? 483 PHE A CD2 1 ATOM 3697 C CE1 . PHE A 1 483 ? 14.598 -35.848 -69.748 1.00 34.82 ? 483 PHE A CE1 1 ATOM 3698 C CE2 . PHE A 1 483 ? 12.206 -35.879 -69.863 1.00 21.69 ? 483 PHE A CE2 1 ATOM 3699 C CZ . PHE A 1 483 ? 13.408 -36.552 -69.840 1.00 33.33 ? 483 PHE A CZ 1 ATOM 3700 N N . ALA A 1 484 ? 11.658 -31.449 -72.041 1.00 40.28 ? 484 ALA A N 1 ATOM 3701 C CA . ALA A 1 484 ? 10.643 -31.781 -73.057 1.00 36.29 ? 484 ALA A CA 1 ATOM 3702 C C . ALA A 1 484 ? 11.127 -31.495 -74.474 1.00 40.54 ? 484 ALA A C 1 ATOM 3703 O O . ALA A 1 484 ? 10.844 -32.258 -75.408 1.00 47.46 ? 484 ALA A O 1 ATOM 3704 C CB . ALA A 1 484 ? 9.330 -31.053 -72.789 1.00 26.15 ? 484 ALA A CB 1 ATOM 3705 N N . ARG A 1 485 ? 11.869 -30.399 -74.615 1.00 39.31 ? 485 ARG A N 1 ATOM 3706 C CA . ARG A 1 485 ? 12.466 -30.021 -75.893 1.00 42.48 ? 485 ARG A CA 1 ATOM 3707 C C . ARG A 1 485 ? 13.583 -30.971 -76.326 1.00 38.83 ? 485 ARG A C 1 ATOM 3708 O O . ARG A 1 485 ? 13.539 -31.522 -77.420 1.00 37.18 ? 485 ARG A O 1 ATOM 3709 C CB . ARG A 1 485 ? 13.005 -28.581 -75.849 1.00 39.29 ? 485 ARG A CB 1 ATOM 3710 C CG . ARG A 1 485 ? 11.945 -27.497 -75.991 1.00 33.21 ? 485 ARG A CG 1 ATOM 3711 C CD . ARG A 1 485 ? 12.588 -26.125 -76.062 1.00 36.08 ? 485 ARG A CD 1 ATOM 3712 N NE . ARG A 1 485 ? 13.221 -25.764 -74.799 1.00 40.37 ? 485 ARG A NE 1 ATOM 3713 C CZ . ARG A 1 485 ? 12.669 -24.947 -73.908 1.00 42.03 ? 485 ARG A CZ 1 ATOM 3714 N NH1 . ARG A 1 485 ? 11.485 -24.402 -74.162 1.00 41.70 ? 485 ARG A NH1 1 ATOM 3715 N NH2 . ARG A 1 485 ? 13.300 -24.667 -72.775 1.00 40.85 ? 485 ARG A NH2 1 ATOM 3716 N N . THR A 1 486 ? 14.575 -31.165 -75.463 1.00 39.86 ? 486 THR A N 1 ATOM 3717 C CA . THR A 1 486 ? 15.814 -31.814 -75.881 1.00 39.21 ? 486 THR A CA 1 ATOM 3718 C C . THR A 1 486 ? 16.104 -33.167 -75.219 1.00 45.27 ? 486 THR A C 1 ATOM 3719 O O . THR A 1 486 ? 16.935 -33.927 -75.716 1.00 28.76 ? 486 THR A O 1 ATOM 3720 C CB . THR A 1 486 ? 17.028 -30.854 -75.713 1.00 40.06 ? 486 THR A CB 1 ATOM 3721 O OG1 . THR A 1 486 ? 17.884 -31.313 -74.662 1.00 47.39 ? 486 THR A OG1 1 ATOM 3722 C CG2 . THR A 1 486 ? 16.558 -29.428 -75.405 1.00 31.62 ? 486 THR A CG2 1 ATOM 3723 N N . GLY A 1 487 ? 15.418 -33.468 -74.112 1.00 45.34 ? 487 GLY A N 1 ATOM 3724 C CA . GLY A 1 487 ? 15.650 -34.699 -73.367 1.00 34.93 ? 487 GLY A CA 1 ATOM 3725 C C . GLY A 1 487 ? 16.873 -34.553 -72.480 1.00 36.13 ? 487 GLY A C 1 ATOM 3726 O O . GLY A 1 487 ? 17.556 -35.528 -72.136 1.00 38.37 ? 487 GLY A O 1 ATOM 3727 N N . ASP A 1 488 ? 17.157 -33.304 -72.137 1.00 30.47 ? 488 ASP A N 1 ATOM 3728 C CA . ASP A 1 488 ? 18.236 -32.962 -71.242 1.00 36.01 ? 488 ASP A CA 1 ATOM 3729 C C . ASP A 1 488 ? 17.778 -31.674 -70.606 1.00 46.44 ? 488 ASP A C 1 ATOM 3730 O O . ASP A 1 488 ? 17.486 -30.707 -71.309 1.00 52.29 ? 488 ASP A O 1 ATOM 3731 C CB . ASP A 1 488 ? 19.534 -32.763 -72.025 1.00 44.91 ? 488 ASP A CB 1 ATOM 3732 C CG . ASP A 1 488 ? 20.662 -32.184 -71.176 1.00 59.61 ? 488 ASP A CG 1 ATOM 3733 O OD1 . ASP A 1 488 ? 20.472 -31.106 -70.572 1.00 66.60 ? 488 ASP A OD1 1 ATOM 3734 O OD2 . ASP A 1 488 ? 21.754 -32.798 -71.128 1.00 61.86 ? 488 ASP A OD2 1 ATOM 3735 N N . PRO A 1 489 ? 17.715 -31.651 -69.268 1.00 46.07 ? 489 PRO A N 1 ATOM 3736 C CA . PRO A 1 489 ? 17.199 -30.487 -68.548 1.00 41.17 ? 489 PRO A CA 1 ATOM 3737 C C . PRO A 1 489 ? 18.207 -29.355 -68.457 1.00 44.53 ? 489 PRO A C 1 ATOM 3738 O O . PRO A 1 489 ? 17.783 -28.208 -68.424 1.00 45.34 ? 489 PRO A O 1 ATOM 3739 C CB . PRO A 1 489 ? 16.922 -31.040 -67.150 1.00 34.54 ? 489 PRO A CB 1 ATOM 3740 C CG . PRO A 1 489 ? 17.949 -32.092 -66.974 1.00 40.84 ? 489 PRO A CG 1 ATOM 3741 C CD . PRO A 1 489 ? 18.169 -32.706 -68.349 1.00 44.57 ? 489 PRO A CD 1 ATOM 3742 N N . ASN A 1 490 ? 19.504 -29.651 -68.412 1.00 53.55 ? 490 ASN A N 1 ATOM 3743 C CA . ASN A 1 490 ? 20.465 -28.592 -68.111 1.00 67.91 ? 490 ASN A CA 1 ATOM 3744 C C . ASN A 1 490 ? 20.805 -27.719 -69.294 1.00 84.78 ? 490 ASN A C 1 ATOM 3745 O O . ASN A 1 490 ? 21.904 -27.787 -69.834 1.00 92.79 ? 490 ASN A O 1 ATOM 3746 C CB . ASN A 1 490 ? 21.732 -29.081 -67.372 1.00 67.38 ? 490 ASN A CB 1 ATOM 3747 C CG . ASN A 1 490 ? 22.179 -30.461 -67.785 1.00 73.10 ? 490 ASN A CG 1 ATOM 3748 O OD1 . ASN A 1 490 ? 21.364 -31.344 -68.031 1.00 83.27 ? 490 ASN A OD1 1 ATOM 3749 N ND2 . ASN A 1 490 ? 23.490 -30.662 -67.839 1.00 73.02 ? 490 ASN A ND2 1 ATOM 3750 N N . GLU A 1 491 ? 19.835 -26.897 -69.681 1.00 101.82 ? 491 GLU A N 1 ATOM 3751 C CA . GLU A 1 491 ? 19.999 -25.910 -70.746 1.00 119.14 ? 491 GLU A CA 1 ATOM 3752 C C . GLU A 1 491 ? 20.299 -26.567 -72.097 1.00 127.55 ? 491 GLU A C 1 ATOM 3753 O O . GLU A 1 491 ? 20.497 -27.782 -72.175 1.00 130.46 ? 491 GLU A O 1 ATOM 3754 C CB . GLU A 1 491 ? 21.081 -24.880 -70.371 1.00 115.58 ? 491 GLU A CB 1 ATOM 3755 C CG . GLU A 1 491 ? 20.865 -24.201 -69.026 1.00 105.28 ? 491 GLU A CG 1 ATOM 3756 C CD . GLU A 1 491 ? 19.672 -23.256 -69.021 1.00 95.75 ? 491 GLU A CD 1 ATOM 3757 O OE1 . GLU A 1 491 ? 19.202 -22.848 -70.114 1.00 87.12 ? 491 GLU A OE1 1 ATOM 3758 O OE2 . GLU A 1 491 ? 19.209 -22.920 -67.910 1.00 92.92 ? 491 GLU A OE2 1 ATOM 3759 N N . PRO A 1 492 ? 20.267 -25.781 -73.182 1.00 126.98 ? 492 PRO A N 1 ATOM 3760 C CA . PRO A 1 492 ? 20.866 -26.327 -74.398 1.00 130.18 ? 492 PRO A CA 1 ATOM 3761 C C . PRO A 1 492 ? 22.361 -26.560 -74.173 1.00 141.99 ? 492 PRO A C 1 ATOM 3762 O O . PRO A 1 492 ? 22.838 -27.689 -74.325 1.00 140.48 ? 492 PRO A O 1 ATOM 3763 C CB . PRO A 1 492 ? 20.639 -25.213 -75.419 1.00 125.04 ? 492 PRO A CB 1 ATOM 3764 C CG . PRO A 1 492 ? 19.395 -24.544 -74.953 1.00 122.43 ? 492 PRO A CG 1 ATOM 3765 C CD . PRO A 1 492 ? 19.460 -24.578 -73.452 1.00 123.52 ? 492 PRO A CD 1 ATOM 3766 N N . ARG A 1 493 ? 23.076 -25.501 -73.789 1.00 153.84 ? 493 ARG A N 1 ATOM 3767 C CA . ARG A 1 493 ? 24.517 -25.569 -73.525 1.00 161.46 ? 493 ARG A CA 1 ATOM 3768 C C . ARG A 1 493 ? 24.821 -25.333 -72.031 1.00 164.31 ? 493 ARG A C 1 ATOM 3769 O O . ARG A 1 493 ? 23.964 -25.555 -71.173 1.00 160.22 ? 493 ARG A O 1 ATOM 3770 C CB . ARG A 1 493 ? 25.280 -24.578 -74.427 1.00 160.70 ? 493 ARG A CB 1 ATOM 3771 C CG . ARG A 1 493 ? 26.704 -24.994 -74.840 1.00 158.75 ? 493 ARG A CG 1 ATOM 3772 C CD . ARG A 1 493 ? 26.833 -26.500 -75.077 1.00 159.24 ? 493 ARG A CD 1 ATOM 3773 N NE . ARG A 1 493 ? 27.289 -27.209 -73.878 1.00 162.57 ? 493 ARG A NE 1 ATOM 3774 C CZ . ARG A 1 493 ? 26.945 -28.455 -73.552 1.00 159.88 ? 493 ARG A CZ 1 ATOM 3775 N NH1 . ARG A 1 493 ? 26.130 -29.155 -74.330 1.00 156.53 ? 493 ARG A NH1 1 ATOM 3776 N NH2 . ARG A 1 493 ? 27.415 -29.003 -72.438 1.00 158.27 ? 493 ARG A NH2 1 ATOM 3777 N N . ASP A 1 494 ? 26.036 -24.889 -71.722 1.00 167.10 ? 494 ASP A N 1 ATOM 3778 C CA . ASP A 1 494 ? 26.466 -24.753 -70.331 1.00 164.52 ? 494 ASP A CA 1 ATOM 3779 C C . ASP A 1 494 ? 26.682 -23.292 -69.931 1.00 157.36 ? 494 ASP A C 1 ATOM 3780 O O . ASP A 1 494 ? 27.665 -22.672 -70.338 1.00 159.46 ? 494 ASP A O 1 ATOM 3781 C CB . ASP A 1 494 ? 27.745 -25.571 -70.090 1.00 169.42 ? 494 ASP A CB 1 ATOM 3782 C CG . ASP A 1 494 ? 28.141 -25.635 -68.618 1.00 172.20 ? 494 ASP A CG 1 ATOM 3783 O OD1 . ASP A 1 494 ? 27.289 -25.332 -67.756 1.00 174.82 ? 494 ASP A OD1 1 ATOM 3784 O OD2 . ASP A 1 494 ? 29.302 -26.001 -68.324 1.00 170.77 ? 494 ASP A OD2 1 ATOM 3785 N N . PRO A 1 495 ? 25.753 -22.735 -69.134 1.00 144.97 ? 495 PRO A N 1 ATOM 3786 C CA . PRO A 1 495 ? 25.935 -21.392 -68.563 1.00 140.91 ? 495 PRO A CA 1 ATOM 3787 C C . PRO A 1 495 ? 27.004 -21.363 -67.452 1.00 137.43 ? 495 PRO A C 1 ATOM 3788 O O . PRO A 1 495 ? 28.011 -22.072 -67.541 1.00 131.24 ? 495 PRO A O 1 ATOM 3789 C CB . PRO A 1 495 ? 24.548 -21.069 -67.984 1.00 135.58 ? 495 PRO A CB 1 ATOM 3790 C CG . PRO A 1 495 ? 23.606 -22.033 -68.645 1.00 131.77 ? 495 PRO A CG 1 ATOM 3791 C CD . PRO A 1 495 ? 24.403 -23.269 -68.879 1.00 134.26 ? 495 PRO A CD 1 ATOM 3792 N N . LYS A 1 496 ? 26.790 -20.538 -66.426 1.00 137.14 ? 496 LYS A N 1 ATOM 3793 C CA . LYS A 1 496 ? 27.651 -20.541 -65.243 1.00 133.21 ? 496 LYS A CA 1 ATOM 3794 C C . LYS A 1 496 ? 27.018 -21.410 -64.159 1.00 140.47 ? 496 LYS A C 1 ATOM 3795 O O . LYS A 1 496 ? 27.635 -21.679 -63.125 1.00 145.61 ? 496 LYS A O 1 ATOM 3796 C CB . LYS A 1 496 ? 27.877 -19.121 -64.705 1.00 123.31 ? 496 LYS A CB 1 ATOM 3797 C CG . LYS A 1 496 ? 26.802 -18.633 -63.723 1.00 111.51 ? 496 LYS A CG 1 ATOM 3798 C CD . LYS A 1 496 ? 27.391 -18.221 -62.366 1.00 98.89 ? 496 LYS A CD 1 ATOM 3799 C CE . LYS A 1 496 ? 26.685 -18.923 -61.196 1.00 86.04 ? 496 LYS A CE 1 ATOM 3800 N NZ . LYS A 1 496 ? 27.294 -20.238 -60.804 1.00 73.81 ? 496 LYS A NZ 1 ATOM 3801 N N . ALA A 1 497 ? 25.780 -21.839 -64.401 1.00 140.25 ? 497 ALA A N 1 ATOM 3802 C CA . ALA A 1 497 ? 25.050 -22.690 -63.463 1.00 136.03 ? 497 ALA A CA 1 ATOM 3803 C C . ALA A 1 497 ? 25.562 -24.130 -63.516 1.00 127.43 ? 497 ALA A C 1 ATOM 3804 O O . ALA A 1 497 ? 25.765 -24.678 -64.604 1.00 127.86 ? 497 ALA A O 1 ATOM 3805 C CB . ALA A 1 497 ? 23.550 -22.645 -63.754 1.00 136.31 ? 497 ALA A CB 1 ATOM 3806 N N . PRO A 1 498 ? 25.782 -24.738 -62.335 1.00 113.27 ? 498 PRO A N 1 ATOM 3807 C CA . PRO A 1 498 ? 26.271 -26.118 -62.177 1.00 99.07 ? 498 PRO A CA 1 ATOM 3808 C C . PRO A 1 498 ? 25.461 -27.132 -62.994 1.00 83.34 ? 498 PRO A C 1 ATOM 3809 O O . PRO A 1 498 ? 24.238 -27.014 -63.100 1.00 82.32 ? 498 PRO A O 1 ATOM 3810 C CB . PRO A 1 498 ? 26.108 -26.370 -60.678 1.00 98.44 ? 498 PRO A CB 1 ATOM 3811 C CG . PRO A 1 498 ? 26.247 -25.015 -60.064 1.00 103.57 ? 498 PRO A CG 1 ATOM 3812 C CD . PRO A 1 498 ? 25.621 -24.056 -61.036 1.00 108.36 ? 498 PRO A CD 1 ATOM 3813 N N . GLN A 1 499 ? 26.142 -28.117 -63.566 1.00 69.39 ? 499 GLN A N 1 ATOM 3814 C CA . GLN A 1 499 ? 25.511 -29.021 -64.524 1.00 62.11 ? 499 GLN A CA 1 ATOM 3815 C C . GLN A 1 499 ? 24.840 -30.238 -63.880 1.00 59.70 ? 499 GLN A C 1 ATOM 3816 O O . GLN A 1 499 ? 25.451 -30.932 -63.073 1.00 59.08 ? 499 GLN A O 1 ATOM 3817 C CB . GLN A 1 499 ? 26.533 -29.474 -65.576 1.00 66.20 ? 499 GLN A CB 1 ATOM 3818 C CG . GLN A 1 499 ? 26.853 -28.416 -66.620 1.00 79.72 ? 499 GLN A CG 1 ATOM 3819 C CD . GLN A 1 499 ? 25.763 -28.278 -67.682 1.00 88.57 ? 499 GLN A CD 1 ATOM 3820 O OE1 . GLN A 1 499 ? 25.483 -29.223 -68.425 1.00 92.73 ? 499 GLN A OE1 1 ATOM 3821 N NE2 . GLN A 1 499 ? 25.149 -27.095 -67.761 1.00 88.19 ? 499 GLN A NE2 1 ATOM 3822 N N . TRP A 1 500 ? 23.587 -30.491 -64.261 1.00 57.00 ? 500 TRP A N 1 ATOM 3823 C CA . TRP A 1 500 ? 22.814 -31.655 -63.814 1.00 46.01 ? 500 TRP A CA 1 ATOM 3824 C C . TRP A 1 500 ? 23.173 -32.911 -64.603 1.00 43.80 ? 500 TRP A C 1 ATOM 3825 O O . TRP A 1 500 ? 22.784 -33.034 -65.761 1.00 48.78 ? 500 TRP A O 1 ATOM 3826 C CB . TRP A 1 500 ? 21.325 -31.365 -64.007 1.00 36.85 ? 500 TRP A CB 1 ATOM 3827 C CG . TRP A 1 500 ? 20.387 -32.393 -63.447 1.00 31.77 ? 500 TRP A CG 1 ATOM 3828 C CD1 . TRP A 1 500 ? 20.686 -33.668 -63.048 1.00 29.28 ? 500 TRP A CD1 1 ATOM 3829 C CD2 . TRP A 1 500 ? 18.985 -32.220 -63.215 1.00 30.81 ? 500 TRP A CD2 1 ATOM 3830 N NE1 . TRP A 1 500 ? 19.553 -34.295 -62.589 1.00 35.54 ? 500 TRP A NE1 1 ATOM 3831 C CE2 . TRP A 1 500 ? 18.496 -33.426 -62.684 1.00 39.11 ? 500 TRP A CE2 1 ATOM 3832 C CE3 . TRP A 1 500 ? 18.095 -31.162 -63.414 1.00 27.63 ? 500 TRP A CE3 1 ATOM 3833 C CZ2 . TRP A 1 500 ? 17.155 -33.600 -62.343 1.00 42.21 ? 500 TRP A CZ2 1 ATOM 3834 C CZ3 . TRP A 1 500 ? 16.766 -31.334 -63.075 1.00 30.77 ? 500 TRP A CZ3 1 ATOM 3835 C CH2 . TRP A 1 500 ? 16.308 -32.542 -62.545 1.00 36.70 ? 500 TRP A CH2 1 ATOM 3836 N N . PRO A 1 501 ? 23.891 -33.858 -63.972 1.00 35.99 ? 501 PRO A N 1 ATOM 3837 C CA . PRO A 1 501 ? 24.369 -35.079 -64.633 1.00 35.16 ? 501 PRO A CA 1 ATOM 3838 C C . PRO A 1 501 ? 23.353 -36.201 -64.617 1.00 37.24 ? 501 PRO A C 1 ATOM 3839 O O . PRO A 1 501 ? 22.535 -36.271 -63.696 1.00 35.61 ? 501 PRO A O 1 ATOM 3840 C CB . PRO A 1 501 ? 25.567 -35.484 -63.783 1.00 35.51 ? 501 PRO A CB 1 ATOM 3841 C CG . PRO A 1 501 ? 25.221 -35.014 -62.431 1.00 37.12 ? 501 PRO A CG 1 ATOM 3842 C CD . PRO A 1 501 ? 24.393 -33.758 -62.593 1.00 37.28 ? 501 PRO A CD 1 ATOM 3843 N N . PRO A 1 502 ? 23.399 -37.078 -65.632 1.00 41.83 ? 502 PRO A N 1 ATOM 3844 C CA . PRO A 1 502 ? 22.432 -38.176 -65.636 1.00 39.77 ? 502 PRO A CA 1 ATOM 3845 C C . PRO A 1 502 ? 22.612 -39.086 -64.425 1.00 36.65 ? 502 PRO A C 1 ATOM 3846 O O . PRO A 1 502 ? 23.734 -39.412 -64.029 1.00 34.01 ? 502 PRO A O 1 ATOM 3847 C CB . PRO A 1 502 ? 22.748 -38.930 -66.937 1.00 36.85 ? 502 PRO A CB 1 ATOM 3848 C CG . PRO A 1 502 ? 24.166 -38.557 -67.254 1.00 38.12 ? 502 PRO A CG 1 ATOM 3849 C CD . PRO A 1 502 ? 24.306 -37.132 -66.791 1.00 38.33 ? 502 PRO A CD 1 ATOM 3850 N N . TYR A 1 503 ? 21.494 -39.453 -63.820 1.00 35.47 ? 503 TYR A N 1 ATOM 3851 C CA . TYR A 1 503 ? 21.482 -40.520 -62.848 1.00 32.01 ? 503 TYR A CA 1 ATOM 3852 C C . TYR A 1 503 ? 21.887 -41.819 -63.559 1.00 37.17 ? 503 TYR A C 1 ATOM 3853 O O . TYR A 1 503 ? 21.396 -42.139 -64.634 1.00 43.42 ? 503 TYR A O 1 ATOM 3854 C CB . TYR A 1 503 ? 20.090 -40.645 -62.223 1.00 24.81 ? 503 TYR A CB 1 ATOM 3855 C CG . TYR A 1 503 ? 19.989 -41.702 -61.148 1.00 41.23 ? 503 TYR A CG 1 ATOM 3856 C CD1 . TYR A 1 503 ? 19.676 -43.021 -61.465 1.00 42.29 ? 503 TYR A CD1 1 ATOM 3857 C CD2 . TYR A 1 503 ? 20.207 -41.387 -59.816 1.00 47.84 ? 503 TYR A CD2 1 ATOM 3858 C CE1 . TYR A 1 503 ? 19.590 -43.995 -60.482 1.00 40.78 ? 503 TYR A CE1 1 ATOM 3859 C CE2 . TYR A 1 503 ? 20.119 -42.354 -58.825 1.00 48.05 ? 503 TYR A CE2 1 ATOM 3860 C CZ . TYR A 1 503 ? 19.812 -43.654 -59.164 1.00 46.27 ? 503 TYR A CZ 1 ATOM 3861 O OH . TYR A 1 503 ? 19.723 -44.614 -58.180 1.00 46.88 ? 503 TYR A OH 1 ATOM 3862 N N . THR A 1 504 ? 22.814 -42.550 -62.957 1.00 39.70 ? 504 THR A N 1 ATOM 3863 C CA . THR A 1 504 ? 23.208 -43.867 -63.443 1.00 38.15 ? 504 THR A CA 1 ATOM 3864 C C . THR A 1 504 ? 23.073 -44.908 -62.310 1.00 46.71 ? 504 THR A C 1 ATOM 3865 O O . THR A 1 504 ? 22.779 -44.563 -61.159 1.00 44.60 ? 504 THR A O 1 ATOM 3866 C CB . THR A 1 504 ? 24.652 -43.841 -63.940 1.00 36.76 ? 504 THR A CB 1 ATOM 3867 O OG1 . THR A 1 504 ? 25.547 -43.816 -62.819 1.00 42.85 ? 504 THR A OG1 1 ATOM 3868 C CG2 . THR A 1 504 ? 24.883 -42.602 -64.767 1.00 37.09 ? 504 THR A CG2 1 ATOM 3869 N N . ALA A 1 505 ? 23.291 -46.177 -62.639 1.00 46.87 ? 505 ALA A N 1 ATOM 3870 C CA . ALA A 1 505 ? 23.129 -47.262 -61.680 1.00 45.83 ? 505 ALA A CA 1 ATOM 3871 C C . ALA A 1 505 ? 24.216 -47.246 -60.614 1.00 54.34 ? 505 ALA A C 1 ATOM 3872 O O . ALA A 1 505 ? 23.953 -47.521 -59.438 1.00 52.56 ? 505 ALA A O 1 ATOM 3873 C CB . ALA A 1 505 ? 23.121 -48.598 -62.402 1.00 51.31 ? 505 ALA A CB 1 ATOM 3874 N N . GLY A 1 506 ? 25.440 -46.931 -61.033 1.00 64.80 ? 506 GLY A N 1 ATOM 3875 C CA . GLY A 1 506 ? 26.581 -46.902 -60.130 1.00 63.54 ? 506 GLY A CA 1 ATOM 3876 C C . GLY A 1 506 ? 26.644 -45.643 -59.285 1.00 53.75 ? 506 GLY A C 1 ATOM 3877 O O . GLY A 1 506 ? 26.221 -45.644 -58.124 1.00 60.62 ? 506 GLY A O 1 ATOM 3878 N N . ALA A 1 507 ? 27.158 -44.566 -59.872 1.00 36.66 ? 507 ALA A N 1 ATOM 3879 C CA . ALA A 1 507 ? 27.333 -43.310 -59.155 1.00 37.77 ? 507 ALA A CA 1 ATOM 3880 C C . ALA A 1 507 ? 26.039 -42.751 -58.538 1.00 39.62 ? 507 ALA A C 1 ATOM 3881 O O . ALA A 1 507 ? 26.081 -42.059 -57.528 1.00 43.93 ? 507 ALA A O 1 ATOM 3882 C CB . ALA A 1 507 ? 28.011 -42.267 -60.039 1.00 31.26 ? 507 ALA A CB 1 ATOM 3883 N N . GLN A 1 508 ? 24.895 -43.061 -59.133 1.00 38.55 ? 508 GLN A N 1 ATOM 3884 C CA . GLN A 1 508 ? 23.613 -42.586 -58.611 1.00 39.48 ? 508 GLN A CA 1 ATOM 3885 C C . GLN A 1 508 ? 23.604 -41.107 -58.251 1.00 33.98 ? 508 GLN A C 1 ATOM 3886 O O . GLN A 1 508 ? 23.268 -40.763 -57.125 1.00 31.35 ? 508 GLN A O 1 ATOM 3887 C CB . GLN A 1 508 ? 23.224 -43.341 -57.346 1.00 44.92 ? 508 GLN A CB 1 ATOM 3888 C CG . GLN A 1 508 ? 23.258 -44.835 -57.425 1.00 53.46 ? 508 GLN A CG 1 ATOM 3889 C CD . GLN A 1 508 ? 22.797 -45.459 -56.125 1.00 63.58 ? 508 GLN A CD 1 ATOM 3890 O OE1 . GLN A 1 508 ? 21.990 -44.876 -55.383 1.00 60.09 ? 508 GLN A OE1 1 ATOM 3891 N NE2 . GLN A 1 508 ? 23.312 -46.648 -55.833 1.00 70.07 ? 508 GLN A NE2 1 ATOM 3892 N N . GLN A 1 509 ? 23.977 -40.234 -59.178 1.00 38.45 ? 509 GLN A N 1 ATOM 3893 C CA . GLN A 1 509 ? 23.951 -38.810 -58.882 1.00 27.85 ? 509 GLN A CA 1 ATOM 3894 C C . GLN A 1 509 ? 22.569 -38.219 -59.099 1.00 36.27 ? 509 GLN A C 1 ATOM 3895 O O . GLN A 1 509 ? 21.762 -38.745 -59.866 1.00 34.07 ? 509 GLN A O 1 ATOM 3896 C CB . GLN A 1 509 ? 24.973 -38.072 -59.715 1.00 29.18 ? 509 GLN A CB 1 ATOM 3897 C CG . GLN A 1 509 ? 26.341 -38.660 -59.595 1.00 49.43 ? 509 GLN A CG 1 ATOM 3898 C CD . GLN A 1 509 ? 27.209 -38.302 -60.768 1.00 48.20 ? 509 GLN A CD 1 ATOM 3899 O OE1 . GLN A 1 509 ? 27.412 -39.111 -61.674 1.00 52.67 ? 509 GLN A OE1 1 ATOM 3900 N NE2 . GLN A 1 509 ? 27.725 -37.082 -60.767 1.00 45.37 ? 509 GLN A NE2 1 ATOM 3901 N N . TYR A 1 510 ? 22.305 -37.126 -58.397 1.00 34.73 ? 510 TYR A N 1 ATOM 3902 C CA . TYR A 1 510 ? 21.031 -36.430 -58.474 1.00 30.03 ? 510 TYR A CA 1 ATOM 3903 C C . TYR A 1 510 ? 21.265 -34.992 -58.043 1.00 33.50 ? 510 TYR A C 1 ATOM 3904 O O . TYR A 1 510 ? 22.353 -34.641 -57.599 1.00 41.72 ? 510 TYR A O 1 ATOM 3905 C CB . TYR A 1 510 ? 19.961 -37.112 -57.603 1.00 32.23 ? 510 TYR A CB 1 ATOM 3906 C CG . TYR A 1 510 ? 20.172 -37.049 -56.087 1.00 36.48 ? 510 TYR A CG 1 ATOM 3907 C CD1 . TYR A 1 510 ? 21.056 -37.911 -55.449 1.00 38.61 ? 510 TYR A CD1 1 ATOM 3908 C CD2 . TYR A 1 510 ? 19.454 -36.156 -55.295 1.00 36.11 ? 510 TYR A CD2 1 ATOM 3909 C CE1 . TYR A 1 510 ? 21.245 -37.868 -54.080 1.00 45.69 ? 510 TYR A CE1 1 ATOM 3910 C CE2 . TYR A 1 510 ? 19.632 -36.109 -53.919 1.00 42.62 ? 510 TYR A CE2 1 ATOM 3911 C CZ . TYR A 1 510 ? 20.529 -36.971 -53.310 1.00 49.18 ? 510 TYR A CZ 1 ATOM 3912 O OH . TYR A 1 510 ? 20.717 -36.941 -51.933 1.00 49.78 ? 510 TYR A OH 1 ATOM 3913 N N . VAL A 1 511 ? 20.262 -34.143 -58.189 1.00 31.18 ? 511 VAL A N 1 ATOM 3914 C CA . VAL A 1 511 ? 20.437 -32.753 -57.820 1.00 31.03 ? 511 VAL A CA 1 ATOM 3915 C C . VAL A 1 511 ? 19.434 -32.331 -56.758 1.00 41.79 ? 511 VAL A C 1 ATOM 3916 O O . VAL A 1 511 ? 18.404 -32.980 -56.557 1.00 52.17 ? 511 VAL A O 1 ATOM 3917 C CB . VAL A 1 511 ? 20.320 -31.858 -59.039 1.00 28.21 ? 511 VAL A CB 1 ATOM 3918 C CG1 . VAL A 1 511 ? 21.376 -32.252 -60.061 1.00 28.86 ? 511 VAL A CG1 1 ATOM 3919 C CG2 . VAL A 1 511 ? 18.927 -31.965 -59.631 1.00 34.89 ? 511 VAL A CG2 1 ATOM 3920 N N . SER A 1 512 ? 19.749 -31.253 -56.059 1.00 41.47 ? 512 SER A N 1 ATOM 3921 C CA . SER A 1 512 ? 18.872 -30.753 -55.018 1.00 39.86 ? 512 SER A CA 1 ATOM 3922 C C . SER A 1 512 ? 18.262 -29.441 -55.485 1.00 47.59 ? 512 SER A C 1 ATOM 3923 O O . SER A 1 512 ? 18.956 -28.426 -55.641 1.00 52.86 ? 512 SER A O 1 ATOM 3924 C CB . SER A 1 512 ? 19.647 -30.539 -53.727 1.00 34.46 ? 512 SER A CB 1 ATOM 3925 O OG . SER A 1 512 ? 20.544 -29.448 -53.864 1.00 40.08 ? 512 SER A OG 1 ATOM 3926 N N . LEU A 1 513 ? 16.957 -29.474 -55.714 1.00 43.10 ? 513 LEU A N 1 ATOM 3927 C CA . LEU A 1 513 ? 16.231 -28.304 -56.163 1.00 45.61 ? 513 LEU A CA 1 ATOM 3928 C C . LEU A 1 513 ? 15.709 -27.507 -54.970 1.00 49.31 ? 513 LEU A C 1 ATOM 3929 O O . LEU A 1 513 ? 14.703 -27.873 -54.362 1.00 47.83 ? 513 LEU A O 1 ATOM 3930 C CB . LEU A 1 513 ? 15.072 -28.736 -57.067 1.00 45.63 ? 513 LEU A CB 1 ATOM 3931 C CG . LEU A 1 513 ? 15.431 -29.670 -58.228 1.00 39.37 ? 513 LEU A CG 1 ATOM 3932 C CD1 . LEU A 1 513 ? 14.183 -30.126 -58.964 1.00 30.28 ? 513 LEU A CD1 1 ATOM 3933 C CD2 . LEU A 1 513 ? 16.397 -28.988 -59.175 1.00 35.24 ? 513 LEU A CD2 1 ATOM 3934 N N . ASP A 1 514 ? 16.421 -26.441 -54.616 1.00 55.52 ? 514 ASP A N 1 ATOM 3935 C CA . ASP A 1 514 ? 15.916 -25.442 -53.671 1.00 64.01 ? 514 ASP A CA 1 ATOM 3936 C C . ASP A 1 514 ? 16.463 -24.092 -54.092 1.00 62.46 ? 514 ASP A C 1 ATOM 3937 O O . ASP A 1 514 ? 17.056 -23.984 -55.165 1.00 64.89 ? 514 ASP A O 1 ATOM 3938 C CB . ASP A 1 514 ? 16.245 -25.759 -52.199 1.00 70.61 ? 514 ASP A CB 1 ATOM 3939 C CG . ASP A 1 514 ? 17.719 -26.047 -51.962 1.00 75.68 ? 514 ASP A CG 1 ATOM 3940 O OD1 . ASP A 1 514 ? 18.577 -25.569 -52.748 1.00 72.16 ? 514 ASP A OD1 1 ATOM 3941 O OD2 . ASP A 1 514 ? 18.011 -26.760 -50.970 1.00 75.32 ? 514 ASP A OD2 1 ATOM 3942 N N . LEU A 1 515 ? 16.269 -23.072 -53.262 1.00 55.16 ? 515 LEU A N 1 ATOM 3943 C CA . LEU A 1 515 ? 16.588 -21.707 -53.669 1.00 45.18 ? 515 LEU A CA 1 ATOM 3944 C C . LEU A 1 515 ? 18.061 -21.558 -54.021 1.00 47.29 ? 515 LEU A C 1 ATOM 3945 O O . LEU A 1 515 ? 18.408 -20.807 -54.918 1.00 46.04 ? 515 LEU A O 1 ATOM 3946 C CB . LEU A 1 515 ? 16.178 -20.700 -52.593 1.00 44.28 ? 515 LEU A CB 1 ATOM 3947 C CG . LEU A 1 515 ? 14.698 -20.660 -52.200 1.00 36.86 ? 515 LEU A CG 1 ATOM 3948 C CD1 . LEU A 1 515 ? 14.332 -19.357 -51.533 1.00 37.87 ? 515 LEU A CD1 1 ATOM 3949 C CD2 . LEU A 1 515 ? 13.829 -20.863 -53.403 1.00 39.54 ? 515 LEU A CD2 1 ATOM 3950 N N . ARG A 1 516 ? 18.922 -22.287 -53.320 1.00 59.40 ? 516 ARG A N 1 ATOM 3951 C CA . ARG A 1 516 ? 20.345 -22.298 -53.635 1.00 65.76 ? 516 ARG A CA 1 ATOM 3952 C C . ARG A 1 516 ? 20.551 -23.046 -54.943 1.00 60.80 ? 516 ARG A C 1 ATOM 3953 O O . ARG A 1 516 ? 19.797 -23.966 -55.256 1.00 64.09 ? 516 ARG A O 1 ATOM 3954 C CB . ARG A 1 516 ? 21.140 -22.981 -52.517 1.00 79.33 ? 516 ARG A CB 1 ATOM 3955 C CG . ARG A 1 516 ? 20.985 -22.344 -51.140 1.00 91.16 ? 516 ARG A CG 1 ATOM 3956 C CD . ARG A 1 516 ? 22.290 -21.731 -50.667 1.00 104.09 ? 516 ARG A CD 1 ATOM 3957 N NE . ARG A 1 516 ? 23.376 -22.710 -50.635 1.00 112.31 ? 516 ARG A NE 1 ATOM 3958 C CZ . ARG A 1 516 ? 23.811 -23.313 -49.533 1.00 113.85 ? 516 ARG A CZ 1 ATOM 3959 N NH1 . ARG A 1 516 ? 23.258 -23.035 -48.357 1.00 112.36 ? 516 ARG A NH1 1 ATOM 3960 N NH2 . ARG A 1 516 ? 24.806 -24.190 -49.605 1.00 112.12 ? 516 ARG A NH2 1 ATOM 3961 N N . PRO A 1 517 ? 21.573 -22.656 -55.714 1.00 58.29 ? 517 PRO A N 1 ATOM 3962 C CA . PRO A 1 517 ? 21.910 -23.318 -56.980 1.00 61.37 ? 517 PRO A CA 1 ATOM 3963 C C . PRO A 1 517 ? 22.100 -24.835 -56.883 1.00 63.37 ? 517 PRO A C 1 ATOM 3964 O O . PRO A 1 517 ? 22.237 -25.395 -55.790 1.00 60.20 ? 517 PRO A O 1 ATOM 3965 C CB . PRO A 1 517 ? 23.225 -22.643 -57.397 1.00 60.47 ? 517 PRO A CB 1 ATOM 3966 C CG . PRO A 1 517 ? 23.645 -21.821 -56.229 1.00 41.53 ? 517 PRO A CG 1 ATOM 3967 C CD . PRO A 1 517 ? 22.404 -21.469 -55.496 1.00 40.80 ? 517 PRO A CD 1 ATOM 3968 N N . LEU A 1 518 ? 22.100 -25.479 -58.050 1.00 65.92 ? 518 LEU A N 1 ATOM 3969 C CA . LEU A 1 518 ? 22.190 -26.931 -58.158 1.00 58.42 ? 518 LEU A CA 1 ATOM 3970 C C . LEU A 1 518 ? 23.384 -27.477 -57.421 1.00 53.55 ? 518 LEU A C 1 ATOM 3971 O O . LEU A 1 518 ? 24.525 -27.067 -57.647 1.00 56.84 ? 518 LEU A O 1 ATOM 3972 C CB . LEU A 1 518 ? 22.281 -27.377 -59.617 1.00 53.81 ? 518 LEU A CB 1 ATOM 3973 C CG . LEU A 1 518 ? 20.996 -27.492 -60.432 1.00 45.24 ? 518 LEU A CG 1 ATOM 3974 C CD1 . LEU A 1 518 ? 21.322 -27.972 -61.828 1.00 40.17 ? 518 LEU A CD1 1 ATOM 3975 C CD2 . LEU A 1 518 ? 20.034 -28.432 -59.753 1.00 42.04 ? 518 LEU A CD2 1 ATOM 3976 N N . GLU A 1 519 ? 23.097 -28.416 -56.540 1.00 43.55 ? 519 GLU A N 1 ATOM 3977 C CA . GLU A 1 519 ? 24.111 -29.111 -55.790 1.00 46.04 ? 519 GLU A CA 1 ATOM 3978 C C . GLU A 1 519 ? 23.973 -30.557 -56.273 1.00 39.50 ? 519 GLU A C 1 ATOM 3979 O O . GLU A 1 519 ? 22.867 -31.092 -56.357 1.00 31.45 ? 519 GLU A O 1 ATOM 3980 C CB . GLU A 1 519 ? 23.774 -28.956 -54.301 1.00 60.77 ? 519 GLU A CB 1 ATOM 3981 C CG . GLU A 1 519 ? 24.864 -29.259 -53.272 1.00 64.97 ? 519 GLU A CG 1 ATOM 3982 C CD . GLU A 1 519 ? 24.309 -29.213 -51.841 1.00 64.94 ? 519 GLU A CD 1 ATOM 3983 O OE1 . GLU A 1 519 ? 23.366 -28.422 -51.597 1.00 62.68 ? 519 GLU A OE1 1 ATOM 3984 O OE2 . GLU A 1 519 ? 24.795 -29.975 -50.971 1.00 61.56 ? 519 GLU A OE2 1 ATOM 3985 N N . VAL A 1 520 ? 25.075 -31.186 -56.647 1.00 40.13 ? 520 VAL A N 1 ATOM 3986 C CA . VAL A 1 520 ? 25.001 -32.591 -57.053 1.00 39.93 ? 520 VAL A CA 1 ATOM 3987 C C . VAL A 1 520 ? 25.290 -33.527 -55.886 1.00 37.81 ? 520 VAL A C 1 ATOM 3988 O O . VAL A 1 520 ? 26.272 -33.365 -55.162 1.00 36.24 ? 520 VAL A O 1 ATOM 3989 C CB . VAL A 1 520 ? 25.946 -32.914 -58.226 1.00 44.27 ? 520 VAL A CB 1 ATOM 3990 C CG1 . VAL A 1 520 ? 26.091 -34.427 -58.418 1.00 32.35 ? 520 VAL A CG1 1 ATOM 3991 C CG2 . VAL A 1 520 ? 25.420 -32.284 -59.483 1.00 48.00 ? 520 VAL A CG2 1 ATOM 3992 N N . ARG A 1 521 ? 24.423 -34.505 -55.695 1.00 30.83 ? 521 ARG A N 1 ATOM 3993 C CA . ARG A 1 521 ? 24.614 -35.433 -54.605 1.00 37.53 ? 521 ARG A CA 1 ATOM 3994 C C . ARG A 1 521 ? 24.648 -36.845 -55.133 1.00 41.94 ? 521 ARG A C 1 ATOM 3995 O O . ARG A 1 521 ? 23.940 -37.198 -56.065 1.00 43.96 ? 521 ARG A O 1 ATOM 3996 C CB . ARG A 1 521 ? 23.539 -35.251 -53.531 1.00 32.38 ? 521 ARG A CB 1 ATOM 3997 C CG . ARG A 1 521 ? 23.633 -33.910 -52.817 1.00 40.67 ? 521 ARG A CG 1 ATOM 3998 C CD . ARG A 1 521 ? 22.678 -33.836 -51.646 1.00 58.34 ? 521 ARG A CD 1 ATOM 3999 N NE . ARG A 1 521 ? 22.430 -32.457 -51.243 1.00 72.11 ? 521 ARG A NE 1 ATOM 4000 C CZ . ARG A 1 521 ? 21.231 -31.987 -50.914 1.00 80.51 ? 521 ARG A CZ 1 ATOM 4001 N NH1 . ARG A 1 521 ? 20.171 -32.793 -50.938 1.00 81.11 ? 521 ARG A NH1 1 ATOM 4002 N NH2 . ARG A 1 521 ? 21.093 -30.715 -50.560 1.00 82.59 ? 521 ARG A NH2 1 ATOM 4003 N N . ARG A 1 522 ? 25.516 -37.643 -54.543 1.00 44.39 ? 522 ARG A N 1 ATOM 4004 C CA . ARG A 1 522 ? 25.678 -39.020 -54.935 1.00 39.57 ? 522 ARG A CA 1 ATOM 4005 C C . ARG A 1 522 ? 24.948 -39.847 -53.866 1.00 45.55 ? 522 ARG A C 1 ATOM 4006 O O . ARG A 1 522 ? 25.189 -39.692 -52.658 1.00 55.87 ? 522 ARG A O 1 ATOM 4007 C CB . ARG A 1 522 ? 27.185 -39.307 -55.058 1.00 37.97 ? 522 ARG A CB 1 ATOM 4008 C CG . ARG A 1 522 ? 27.613 -40.739 -55.230 1.00 50.14 ? 522 ARG A CG 1 ATOM 4009 C CD . ARG A 1 522 ? 28.828 -40.815 -56.152 1.00 69.16 ? 522 ARG A CD 1 ATOM 4010 N NE . ARG A 1 522 ? 29.750 -41.925 -55.877 1.00 87.34 ? 522 ARG A NE 1 ATOM 4011 C CZ . ARG A 1 522 ? 29.447 -43.226 -55.917 1.00 93.66 ? 522 ARG A CZ 1 ATOM 4012 N NH1 . ARG A 1 522 ? 28.217 -43.643 -56.184 1.00 86.15 ? 522 ARG A NH1 1 ATOM 4013 N NH2 . ARG A 1 522 ? 30.389 -44.126 -55.665 1.00 101.94 ? 522 ARG A NH2 1 ATOM 4014 N N . GLY A 1 523 ? 23.989 -40.654 -54.310 1.00 38.71 ? 523 GLY A N 1 ATOM 4015 C CA . GLY A 1 523 ? 23.282 -41.558 -53.424 1.00 39.89 ? 523 GLY A CA 1 ATOM 4016 C C . GLY A 1 523 ? 21.869 -41.143 -53.057 1.00 40.62 ? 523 GLY A C 1 ATOM 4017 O O . GLY A 1 523 ? 21.664 -40.226 -52.251 1.00 48.88 ? 523 GLY A O 1 ATOM 4018 N N . LEU A 1 524 ? 20.892 -41.852 -53.615 1.00 28.86 ? 524 LEU A N 1 ATOM 4019 C CA . LEU A 1 524 ? 19.489 -41.525 -53.400 1.00 36.06 ? 524 LEU A CA 1 ATOM 4020 C C . LEU A 1 524 ? 18.829 -42.399 -52.341 1.00 38.83 ? 524 LEU A C 1 ATOM 4021 O O . LEU A 1 524 ? 18.078 -43.334 -52.667 1.00 27.50 ? 524 LEU A O 1 ATOM 4022 C CB . LEU A 1 524 ? 18.718 -41.644 -54.712 1.00 44.16 ? 524 LEU A CB 1 ATOM 4023 C CG . LEU A 1 524 ? 17.289 -41.106 -54.660 1.00 45.03 ? 524 LEU A CG 1 ATOM 4024 C CD1 . LEU A 1 524 ? 17.272 -39.676 -54.142 1.00 55.71 ? 524 LEU A CD1 1 ATOM 4025 C CD2 . LEU A 1 524 ? 16.684 -41.174 -56.024 1.00 38.39 ? 524 LEU A CD2 1 ATOM 4026 N N . ARG A 1 525 ? 19.097 -42.071 -51.077 1.00 54.53 ? 525 ARG A N 1 ATOM 4027 C CA . ARG A 1 525 ? 18.595 -42.845 -49.941 1.00 51.63 ? 525 ARG A CA 1 ATOM 4028 C C . ARG A 1 525 ? 18.991 -44.307 -50.171 1.00 42.92 ? 525 ARG A C 1 ATOM 4029 O O . ARG A 1 525 ? 18.150 -45.209 -50.163 1.00 27.64 ? 525 ARG A O 1 ATOM 4030 C CB . ARG A 1 525 ? 17.081 -42.669 -49.816 1.00 46.36 ? 525 ARG A CB 1 ATOM 4031 C CG . ARG A 1 525 ? 16.523 -42.895 -48.432 1.00 51.80 ? 525 ARG A CG 1 ATOM 4032 C CD . ARG A 1 525 ? 16.487 -41.640 -47.565 1.00 57.68 ? 525 ARG A CD 1 ATOM 4033 N NE . ARG A 1 525 ? 15.877 -41.940 -46.264 1.00 62.48 ? 525 ARG A NE 1 ATOM 4034 C CZ . ARG A 1 525 ? 16.520 -42.489 -45.232 1.00 65.87 ? 525 ARG A CZ 1 ATOM 4035 N NH1 . ARG A 1 525 ? 17.806 -42.794 -45.329 1.00 73.65 ? 525 ARG A NH1 1 ATOM 4036 N NH2 . ARG A 1 525 ? 15.879 -42.735 -44.097 1.00 60.25 ? 525 ARG A NH2 1 ATOM 4037 N N . ALA A 1 526 ? 20.295 -44.500 -50.388 1.00 45.77 ? 526 ALA A N 1 ATOM 4038 C CA . ALA A 1 526 ? 20.869 -45.726 -50.937 1.00 25.37 ? 526 ALA A CA 1 ATOM 4039 C C . ALA A 1 526 ? 20.790 -46.876 -49.982 1.00 38.46 ? 526 ALA A C 1 ATOM 4040 O O . ALA A 1 526 ? 20.565 -48.012 -50.374 1.00 30.47 ? 526 ALA A O 1 ATOM 4041 C CB . ALA A 1 526 ? 22.317 -45.494 -51.291 1.00 34.50 ? 526 ALA A CB 1 ATOM 4042 N N . GLN A 1 527 ? 21.016 -46.557 -48.716 1.00 48.90 ? 527 GLN A N 1 ATOM 4043 C CA . GLN A 1 527 ? 21.192 -47.540 -47.665 1.00 43.46 ? 527 GLN A CA 1 ATOM 4044 C C . GLN A 1 527 ? 19.840 -48.054 -47.215 1.00 44.92 ? 527 GLN A C 1 ATOM 4045 O O . GLN A 1 527 ? 19.670 -49.240 -46.928 1.00 26.58 ? 527 GLN A O 1 ATOM 4046 C CB . GLN A 1 527 ? 21.939 -46.874 -46.527 1.00 32.07 ? 527 GLN A CB 1 ATOM 4047 C CG . GLN A 1 527 ? 23.242 -46.240 -46.994 1.00 32.39 ? 527 GLN A CG 1 ATOM 4048 C CD . GLN A 1 527 ? 24.290 -47.280 -47.362 1.00 37.36 ? 527 GLN A CD 1 ATOM 4049 O OE1 . GLN A 1 527 ? 24.243 -48.433 -46.906 1.00 30.54 ? 527 GLN A OE1 1 ATOM 4050 N NE2 . GLN A 1 527 ? 25.246 -46.876 -48.182 1.00 30.77 ? 527 GLN A NE2 1 ATOM 4051 N N . ALA A 1 528 ? 18.878 -47.140 -47.181 1.00 40.07 ? 528 ALA A N 1 ATOM 4052 C CA . ALA A 1 528 ? 17.503 -47.472 -46.878 1.00 33.76 ? 528 ALA A CA 1 ATOM 4053 C C . ALA A 1 528 ? 16.942 -48.397 -47.940 1.00 38.20 ? 528 ALA A C 1 ATOM 4054 O O . ALA A 1 528 ? 16.284 -49.394 -47.631 1.00 37.49 ? 528 ALA A O 1 ATOM 4055 C CB . ALA A 1 528 ? 16.676 -46.210 -46.800 1.00 24.18 ? 528 ALA A CB 1 ATOM 4056 N N . CYS A 1 529 ? 17.207 -48.061 -49.199 1.00 46.25 ? 529 CYS A N 1 ATOM 4057 C CA . CYS A 1 529 ? 16.617 -48.777 -50.325 1.00 46.50 ? 529 CYS A CA 1 ATOM 4058 C C . CYS A 1 529 ? 17.150 -50.202 -50.467 1.00 45.79 ? 529 CYS A C 1 ATOM 4059 O O . CYS A 1 529 ? 16.450 -51.090 -50.949 1.00 43.55 ? 529 CYS A O 1 ATOM 4060 C CB . CYS A 1 529 ? 16.771 -47.961 -51.608 1.00 22.09 ? 529 CYS A CB 1 ATOM 4061 S SG . CYS A 1 529 ? 15.730 -46.452 -51.588 1.00 71.33 ? 529 CYS A SG 1 ATOM 4062 N N . ALA A 1 530 ? 18.378 -50.422 -50.014 1.00 50.46 ? 530 ALA A N 1 ATOM 4063 C CA . ALA A 1 530 ? 18.940 -51.759 -49.992 1.00 25.07 ? 530 ALA A CA 1 ATOM 4064 C C . ALA A 1 530 ? 18.052 -52.643 -49.149 1.00 39.21 ? 530 ALA A C 1 ATOM 4065 O O . ALA A 1 530 ? 17.773 -53.775 -49.513 1.00 40.28 ? 530 ALA A O 1 ATOM 4066 C CB . ALA A 1 530 ? 20.331 -51.730 -49.433 1.00 26.40 ? 530 ALA A CB 1 ATOM 4067 N N . PHE A 1 531 ? 17.598 -52.110 -48.020 1.00 42.30 ? 531 PHE A N 1 ATOM 4068 C CA . PHE A 1 531 ? 16.725 -52.855 -47.125 1.00 41.67 ? 531 PHE A CA 1 ATOM 4069 C C . PHE A 1 531 ? 15.433 -53.208 -47.853 1.00 38.44 ? 531 PHE A C 1 ATOM 4070 O O . PHE A 1 531 ? 15.051 -54.385 -47.924 1.00 33.69 ? 531 PHE A O 1 ATOM 4071 C CB . PHE A 1 531 ? 16.428 -52.057 -45.839 1.00 34.90 ? 531 PHE A CB 1 ATOM 4072 C CG . PHE A 1 531 ? 15.258 -52.590 -45.051 1.00 34.54 ? 531 PHE A CG 1 ATOM 4073 C CD1 . PHE A 1 531 ? 15.341 -53.809 -44.394 1.00 37.78 ? 531 PHE A CD1 1 ATOM 4074 C CD2 . PHE A 1 531 ? 14.068 -51.883 -44.983 1.00 32.34 ? 531 PHE A CD2 1 ATOM 4075 C CE1 . PHE A 1 531 ? 14.259 -54.313 -43.683 1.00 33.45 ? 531 PHE A CE1 1 ATOM 4076 C CE2 . PHE A 1 531 ? 12.983 -52.381 -44.267 1.00 31.21 ? 531 PHE A CE2 1 ATOM 4077 C CZ . PHE A 1 531 ? 13.081 -53.595 -43.621 1.00 32.24 ? 531 PHE A CZ 1 ATOM 4078 N N . TRP A 1 532 ? 14.794 -52.181 -48.413 1.00 31.57 ? 532 TRP A N 1 ATOM 4079 C CA . TRP A 1 532 ? 13.464 -52.303 -49.007 1.00 27.42 ? 532 TRP A CA 1 ATOM 4080 C C . TRP A 1 532 ? 13.439 -53.142 -50.261 1.00 28.62 ? 532 TRP A C 1 ATOM 4081 O O . TRP A 1 532 ? 12.525 -53.961 -50.437 1.00 28.84 ? 532 TRP A O 1 ATOM 4082 C CB . TRP A 1 532 ? 12.887 -50.928 -49.332 1.00 21.37 ? 532 TRP A CB 1 ATOM 4083 C CG . TRP A 1 532 ? 12.423 -50.183 -48.127 1.00 31.71 ? 532 TRP A CG 1 ATOM 4084 C CD1 . TRP A 1 532 ? 12.959 -49.034 -47.619 1.00 36.92 ? 532 TRP A CD1 1 ATOM 4085 C CD2 . TRP A 1 532 ? 11.332 -50.534 -47.262 1.00 24.37 ? 532 TRP A CD2 1 ATOM 4086 N NE1 . TRP A 1 532 ? 12.263 -48.640 -46.497 1.00 37.80 ? 532 TRP A NE1 1 ATOM 4087 C CE2 . TRP A 1 532 ? 11.260 -49.543 -46.257 1.00 30.69 ? 532 TRP A CE2 1 ATOM 4088 C CE3 . TRP A 1 532 ? 10.409 -51.588 -47.239 1.00 23.89 ? 532 TRP A CE3 1 ATOM 4089 C CZ2 . TRP A 1 532 ? 10.301 -49.573 -45.243 1.00 34.70 ? 532 TRP A CZ2 1 ATOM 4090 C CZ3 . TRP A 1 532 ? 9.457 -51.620 -46.230 1.00 28.71 ? 532 TRP A CZ3 1 ATOM 4091 C CH2 . TRP A 1 532 ? 9.412 -50.617 -45.245 1.00 38.03 ? 532 TRP A CH2 1 ATOM 4092 N N . ASN A 1 533 ? 14.437 -52.931 -51.124 1.00 31.23 ? 533 ASN A N 1 ATOM 4093 C CA . ASN A 1 533 ? 14.463 -53.518 -52.467 1.00 31.72 ? 533 ASN A CA 1 ATOM 4094 C C . ASN A 1 533 ? 15.221 -54.845 -52.570 1.00 37.08 ? 533 ASN A C 1 ATOM 4095 O O . ASN A 1 533 ? 14.853 -55.705 -53.374 1.00 45.60 ? 533 ASN A O 1 ATOM 4096 C CB . ASN A 1 533 ? 15.021 -52.523 -53.494 1.00 34.17 ? 533 ASN A CB 1 ATOM 4097 C CG . ASN A 1 533 ? 14.151 -51.275 -53.657 1.00 40.52 ? 533 ASN A CG 1 ATOM 4098 O OD1 . ASN A 1 533 ? 12.933 -51.307 -53.460 1.00 36.41 ? 533 ASN A OD1 1 ATOM 4099 N ND2 . ASN A 1 533 ? 14.785 -50.167 -54.042 1.00 43.56 ? 533 ASN A ND2 1 ATOM 4100 N N . ARG A 1 534 ? 16.273 -55.011 -51.771 1.00 34.17 ? 534 ARG A N 1 ATOM 4101 C CA . ARG A 1 534 ? 17.073 -56.235 -51.810 1.00 33.69 ? 534 ARG A CA 1 ATOM 4102 C C . ARG A 1 534 ? 16.758 -57.193 -50.660 1.00 35.44 ? 534 ARG A C 1 ATOM 4103 O O . ARG A 1 534 ? 16.436 -58.362 -50.879 1.00 35.26 ? 534 ARG A O 1 ATOM 4104 C CB . ARG A 1 534 ? 18.567 -55.907 -51.808 1.00 34.15 ? 534 ARG A CB 1 ATOM 4105 C CG . ARG A 1 534 ? 18.959 -54.840 -52.807 1.00 42.94 ? 534 ARG A CG 1 ATOM 4106 C CD . ARG A 1 534 ? 19.010 -55.388 -54.232 1.00 53.98 ? 534 ARG A CD 1 ATOM 4107 N NE . ARG A 1 534 ? 20.324 -55.932 -54.561 1.00 61.60 ? 534 ARG A NE 1 ATOM 4108 C CZ . ARG A 1 534 ? 21.389 -55.182 -54.837 1.00 66.51 ? 534 ARG A CZ 1 ATOM 4109 N NH1 . ARG A 1 534 ? 21.287 -53.851 -54.815 1.00 61.31 ? 534 ARG A NH1 1 ATOM 4110 N NH2 . ARG A 1 534 ? 22.556 -55.759 -55.129 1.00 66.32 ? 534 ARG A NH2 1 ATOM 4111 N N . PHE A 1 535 ? 16.850 -56.697 -49.431 1.00 38.15 ? 535 PHE A N 1 ATOM 4112 C CA . PHE A 1 535 ? 16.746 -57.581 -48.277 1.00 36.60 ? 535 PHE A CA 1 ATOM 4113 C C . PHE A 1 535 ? 15.331 -57.986 -47.887 1.00 32.51 ? 535 PHE A C 1 ATOM 4114 O O . PHE A 1 535 ? 15.030 -59.186 -47.816 1.00 28.58 ? 535 PHE A O 1 ATOM 4115 C CB . PHE A 1 535 ? 17.436 -57.010 -47.050 1.00 38.85 ? 535 PHE A CB 1 ATOM 4116 C CG . PHE A 1 535 ? 17.305 -57.890 -45.856 1.00 28.91 ? 535 PHE A CG 1 ATOM 4117 C CD1 . PHE A 1 535 ? 18.164 -58.955 -45.681 1.00 38.38 ? 535 PHE A CD1 1 ATOM 4118 C CD2 . PHE A 1 535 ? 16.294 -57.689 -44.937 1.00 33.06 ? 535 PHE A CD2 1 ATOM 4119 C CE1 . PHE A 1 535 ? 18.034 -59.789 -44.599 1.00 35.48 ? 535 PHE A CE1 1 ATOM 4120 C CE2 . PHE A 1 535 ? 16.150 -58.526 -43.854 1.00 29.92 ? 535 PHE A CE2 1 ATOM 4121 C CZ . PHE A 1 535 ? 17.023 -59.573 -43.682 1.00 31.29 ? 535 PHE A CZ 1 ATOM 4122 N N . LEU A 1 536 ? 14.481 -56.997 -47.596 1.00 29.85 ? 536 LEU A N 1 ATOM 4123 C CA . LEU A 1 536 ? 13.101 -57.276 -47.157 1.00 32.14 ? 536 LEU A CA 1 ATOM 4124 C C . LEU A 1 536 ? 12.381 -58.421 -47.888 1.00 38.91 ? 536 LEU A C 1 ATOM 4125 O O . LEU A 1 536 ? 11.737 -59.243 -47.239 1.00 45.46 ? 536 LEU A O 1 ATOM 4126 C CB . LEU A 1 536 ? 12.219 -56.017 -47.158 1.00 32.96 ? 536 LEU A CB 1 ATOM 4127 C CG . LEU A 1 536 ? 10.825 -56.271 -46.555 1.00 37.96 ? 536 LEU A CG 1 ATOM 4128 C CD1 . LEU A 1 536 ? 10.955 -56.807 -45.124 1.00 47.30 ? 536 LEU A CD1 1 ATOM 4129 C CD2 . LEU A 1 536 ? 9.903 -55.048 -46.575 1.00 28.71 ? 536 LEU A CD2 1 ATOM 4130 N N . PRO A 1 537 ? 12.488 -58.486 -49.233 1.00 39.20 ? 537 PRO A N 1 ATOM 4131 C CA . PRO A 1 537 ? 11.759 -59.585 -49.870 1.00 35.40 ? 537 PRO A CA 1 ATOM 4132 C C . PRO A 1 537 ? 12.288 -60.968 -49.504 1.00 42.06 ? 537 PRO A C 1 ATOM 4133 O O . PRO A 1 537 ? 11.470 -61.876 -49.334 1.00 48.78 ? 537 PRO A O 1 ATOM 4134 C CB . PRO A 1 537 ? 11.959 -59.310 -51.355 1.00 26.22 ? 537 PRO A CB 1 ATOM 4135 C CG . PRO A 1 537 ? 12.187 -57.853 -51.420 1.00 25.00 ? 537 PRO A CG 1 ATOM 4136 C CD . PRO A 1 537 ? 13.022 -57.551 -50.244 1.00 28.12 ? 537 PRO A CD 1 ATOM 4137 N N . LYS A 1 538 ? 13.606 -61.126 -49.374 1.00 37.86 ? 538 LYS A N 1 ATOM 4138 C CA . LYS A 1 538 ? 14.179 -62.423 -49.012 1.00 42.46 ? 538 LYS A CA 1 ATOM 4139 C C . LYS A 1 538 ? 13.656 -62.836 -47.638 1.00 48.12 ? 538 LYS A C 1 ATOM 4140 O O . LYS A 1 538 ? 13.533 -64.037 -47.341 1.00 54.07 ? 538 LYS A O 1 ATOM 4141 C CB . LYS A 1 538 ? 15.712 -62.379 -49.013 1.00 29.43 ? 538 LYS A CB 1 ATOM 4142 C CG . LYS A 1 538 ? 16.374 -62.272 -50.379 1.00 30.05 ? 538 LYS A CG 1 ATOM 4143 C CD . LYS A 1 538 ? 17.784 -61.686 -50.271 1.00 32.93 ? 538 LYS A CD 1 ATOM 4144 C CE . LYS A 1 538 ? 18.592 -61.822 -51.564 1.00 40.86 ? 538 LYS A CE 1 ATOM 4145 N NZ . LYS A 1 538 ? 18.809 -63.246 -51.960 1.00 45.46 ? 538 LYS A NZ 1 ATOM 4146 N N . LEU A 1 539 ? 13.349 -61.827 -46.817 1.00 34.98 ? 539 LEU A N 1 ATOM 4147 C CA . LEU A 1 539 ? 12.770 -62.024 -45.490 1.00 34.17 ? 539 LEU A CA 1 ATOM 4148 C C . LEU A 1 539 ? 11.284 -62.393 -45.545 1.00 41.96 ? 539 LEU A C 1 ATOM 4149 O O . LEU A 1 539 ? 10.900 -63.485 -45.129 1.00 45.95 ? 539 LEU A O 1 ATOM 4150 C CB . LEU A 1 539 ? 12.964 -60.774 -44.632 1.00 31.21 ? 539 LEU A CB 1 ATOM 4151 C CG . LEU A 1 539 ? 12.126 -60.660 -43.356 1.00 31.63 ? 539 LEU A CG 1 ATOM 4152 C CD1 . LEU A 1 539 ? 12.597 -61.615 -42.286 1.00 31.52 ? 539 LEU A CD1 1 ATOM 4153 C CD2 . LEU A 1 539 ? 12.197 -59.258 -42.856 1.00 38.12 ? 539 LEU A CD2 1 ATOM 4154 N N . LEU A 1 540 ? 10.456 -61.479 -46.048 1.00 50.74 ? 540 LEU A N 1 ATOM 4155 C CA . LEU A 1 540 ? 9.023 -61.727 -46.224 1.00 51.41 ? 540 LEU A CA 1 ATOM 4156 C C . LEU A 1 540 ? 8.737 -63.093 -46.850 1.00 55.01 ? 540 LEU A C 1 ATOM 4157 O O . LEU A 1 540 ? 7.817 -63.797 -46.434 1.00 59.99 ? 540 LEU A O 1 ATOM 4158 C CB . LEU A 1 540 ? 8.381 -60.610 -47.051 1.00 37.45 ? 540 LEU A CB 1 ATOM 4159 C CG . LEU A 1 540 ? 8.253 -59.326 -46.227 1.00 43.40 ? 540 LEU A CG 1 ATOM 4160 C CD1 . LEU A 1 540 ? 7.685 -58.173 -47.036 1.00 39.78 ? 540 LEU A CD1 1 ATOM 4161 C CD2 . LEU A 1 540 ? 7.423 -59.564 -44.953 1.00 50.47 ? 540 LEU A CD2 1 ATOM 4162 N N . SER A 1 541 ? 9.547 -63.464 -47.834 1.00 44.25 ? 541 SER A N 1 ATOM 4163 C CA . SER A 1 541 ? 9.459 -64.778 -48.448 1.00 40.89 ? 541 SER A CA 1 ATOM 4164 C C . SER A 1 541 ? 9.523 -65.887 -47.414 1.00 41.13 ? 541 SER A C 1 ATOM 4165 O O . SER A 1 541 ? 8.708 -66.808 -47.428 1.00 41.16 ? 541 SER A O 1 ATOM 4166 C CB . SER A 1 541 ? 10.589 -64.962 -49.463 1.00 47.50 ? 541 SER A CB 1 ATOM 4167 O OG . SER A 1 541 ? 10.710 -66.315 -49.864 1.00 52.31 ? 541 SER A OG 1 ATOM 4168 N N . ALA A 1 542 ? 10.501 -65.792 -46.520 1.00 46.67 ? 542 ALA A N 1 ATOM 4169 C CA . ALA A 1 542 ? 10.698 -66.798 -45.481 1.00 47.47 ? 542 ALA A CA 1 ATOM 4170 C C . ALA A 1 542 ? 9.589 -66.770 -44.430 1.00 49.14 ? 542 ALA A C 1 ATOM 4171 O O . ALA A 1 542 ? 9.081 -67.814 -44.045 1.00 53.09 ? 542 ALA A O 1 ATOM 4172 C CB . ALA A 1 542 ? 12.065 -66.640 -44.831 1.00 43.93 ? 542 ALA A CB 1 ATOM 4173 N N . THR A 1 543 ? 9.202 -65.583 -43.974 1.00 53.21 ? 543 THR A N 1 ATOM 4174 C CA . THR A 1 543 ? 8.101 -65.465 -43.016 1.00 62.13 ? 543 THR A CA 1 ATOM 4175 C C . THR A 1 543 ? 6.786 -65.928 -43.636 1.00 64.88 ? 543 THR A C 1 ATOM 4176 O O . THR A 1 543 ? 5.837 -66.276 -42.934 1.00 67.88 ? 543 THR A O 1 ATOM 4177 C CB . THR A 1 543 ? 7.913 -64.022 -42.539 1.00 65.51 ? 543 THR A CB 1 ATOM 4178 O OG1 . THR A 1 543 ? 7.206 -63.272 -43.542 1.00 61.84 ? 543 THR A OG1 1 ATOM 4179 C CG2 . THR A 1 543 ? 9.265 -63.380 -42.243 1.00 65.41 ? 543 THR A CG2 1 ATOM 4180 N N . ASP A 1 544 ? 6.734 -65.911 -44.962 1.00 63.78 ? 544 ASP A N 1 ATOM 4181 C CA . ASP A 1 544 ? 5.604 -66.474 -45.677 1.00 62.80 ? 544 ASP A CA 1 ATOM 4182 C C . ASP A 1 544 ? 5.601 -67.985 -45.602 1.00 65.74 ? 544 ASP A C 1 ATOM 4183 O O . ASP A 1 544 ? 4.557 -68.576 -45.360 1.00 76.43 ? 544 ASP A O 1 ATOM 4184 C CB . ASP A 1 544 ? 5.590 -66.023 -47.132 1.00 66.51 ? 544 ASP A CB 1 ATOM 4185 C CG . ASP A 1 544 ? 4.878 -64.701 -47.314 1.00 71.58 ? 544 ASP A CG 1 ATOM 4186 O OD1 . ASP A 1 544 ? 4.940 -63.850 -46.394 1.00 77.90 ? 544 ASP A OD1 1 ATOM 4187 O OD2 . ASP A 1 544 ? 4.246 -64.517 -48.373 1.00 66.51 ? 544 ASP A OD2 1 ATOM 4188 N N . THR A 1 545 ? 6.756 -68.616 -45.804 1.00 63.93 ? 545 THR A N 1 ATOM 4189 C CA . THR A 1 545 ? 6.824 -70.078 -45.710 1.00 67.41 ? 545 THR A CA 1 ATOM 4190 C C . THR A 1 545 ? 6.984 -70.543 -44.261 1.00 70.81 ? 545 THR A C 1 ATOM 4191 O O . THR A 1 545 ? 7.151 -71.733 -44.000 1.00 71.71 ? 545 THR A O 1 ATOM 4192 C CB . THR A 1 545 ? 7.904 -70.704 -46.650 1.00 53.64 ? 545 THR A CB 1 ATOM 4193 O OG1 . THR A 1 545 ? 9.136 -70.917 -45.948 1.00 48.66 ? 545 THR A OG1 1 ATOM 4194 C CG2 . THR A 1 545 ? 8.140 -69.809 -47.871 1.00 57.05 ? 545 THR A CG2 1 ATOM 4195 N N . LEU A 1 546 ? 6.916 -69.588 -43.329 1.00 73.59 ? 546 LEU A N 1 ATOM 4196 C CA . LEU A 1 546 ? 6.948 -69.868 -41.892 1.00 71.38 ? 546 LEU A CA 1 ATOM 4197 C C . LEU A 1 546 ? 5.551 -69.688 -41.308 1.00 77.60 ? 546 LEU A C 1 ATOM 4198 O O . LEU A 1 546 ? 5.171 -70.362 -40.349 1.00 78.02 ? 546 LEU A O 1 ATOM 4199 C CB . LEU A 1 546 ? 7.936 -68.945 -41.175 1.00 65.93 ? 546 LEU A CB 1 ATOM 4200 C CG . LEU A 1 546 ? 8.606 -69.453 -39.887 1.00 70.89 ? 546 LEU A CG 1 ATOM 4201 C CD1 . LEU A 1 546 ? 9.817 -68.596 -39.546 1.00 69.61 ? 546 LEU A CD1 1 ATOM 4202 C CD2 . LEU A 1 546 ? 7.653 -69.512 -38.684 1.00 74.54 ? 546 LEU A CD2 1 ATOM 4203 N N . ASP A 1 547 ? 4.783 -68.774 -41.886 1.00 84.72 ? 547 ASP A N 1 ATOM 4204 C CA . ASP A 1 547 ? 3.398 -68.609 -41.472 1.00 95.14 ? 547 ASP A CA 1 ATOM 4205 C C . ASP A 1 547 ? 2.502 -69.664 -42.115 1.00 101.35 ? 547 ASP A C 1 ATOM 4206 O O . ASP A 1 547 ? 1.333 -69.797 -41.756 1.00 106.96 ? 547 ASP A O 1 ATOM 4207 C CB . ASP A 1 547 ? 2.898 -67.190 -41.750 1.00 97.53 ? 547 ASP A CB 1 ATOM 4208 C CG . ASP A 1 547 ? 3.059 -66.283 -40.546 1.00 104.45 ? 547 ASP A CG 1 ATOM 4209 O OD1 . ASP A 1 547 ? 2.940 -66.802 -39.407 1.00 105.83 ? 547 ASP A OD1 1 ATOM 4210 O OD2 . ASP A 1 547 ? 3.309 -65.069 -40.734 1.00 104.10 ? 547 ASP A OD2 1 ATOM 4211 N N . GLU A 1 548 ? 3.065 -70.416 -43.060 1.00 100.60 ? 548 GLU A N 1 ATOM 4212 C CA . GLU A 1 548 ? 2.383 -71.561 -43.662 1.00 99.77 ? 548 GLU A CA 1 ATOM 4213 C C . GLU A 1 548 ? 2.673 -72.803 -42.830 1.00 107.40 ? 548 GLU A C 1 ATOM 4214 O O . GLU A 1 548 ? 1.882 -73.749 -42.805 1.00 113.97 ? 548 GLU A O 1 ATOM 4215 C CB . GLU A 1 548 ? 2.855 -71.787 -45.108 1.00 88.36 ? 548 GLU A CB 1 ATOM 4216 C CG . GLU A 1 548 ? 1.780 -71.582 -46.178 1.00 82.08 ? 548 GLU A CG 1 ATOM 4217 C CD . GLU A 1 548 ? 0.728 -72.685 -46.193 0.0000 81.63 ? 548 GLU A CD 1 ATOM 4218 O OE1 . GLU A 1 548 ? 1.040 -73.829 -45.797 1.00 81.94 ? 548 GLU A OE1 1 ATOM 4219 O OE2 . GLU A 1 548 ? -0.418 -72.409 -46.607 1.00 80.82 ? 548 GLU A OE2 1 ATOM 4220 N N . ALA A 1 549 ? 3.815 -72.783 -42.146 1.00 102.60 ? 549 ALA A N 1 ATOM 4221 C CA . ALA A 1 549 ? 4.286 -73.926 -41.370 1.00 96.90 ? 549 ALA A CA 1 ATOM 4222 C C . ALA A 1 549 ? 3.855 -73.851 -39.909 1.00 100.03 ? 549 ALA A C 1 ATOM 4223 O O . ALA A 1 549 ? 3.820 -74.868 -39.213 1.00 101.64 ? 549 ALA A O 1 ATOM 4224 C CB . ALA A 1 549 ? 5.794 -74.045 -41.468 0.98 90.24 ? 549 ALA A CB 1 ATOM 4225 N N . GLU A 1 550 ? 3.543 -72.644 -39.442 1.00 100.42 ? 550 GLU A N 1 ATOM 4226 C CA . GLU A 1 550 ? 2.958 -72.480 -38.115 1.00 100.76 ? 550 GLU A CA 1 ATOM 4227 C C . GLU A 1 550 ? 1.448 -72.720 -38.186 1.00 102.66 ? 550 GLU A C 1 ATOM 4228 O O . GLU A 1 550 ? 0.791 -72.920 -37.164 1.00 104.54 ? 550 GLU A O 1 ATOM 4229 C CB . GLU A 1 550 ? 3.270 -71.098 -37.534 0.66 90.31 ? 550 GLU A CB 1 ATOM 4230 C CG . GLU A 1 550 ? 4.352 -71.101 -36.459 1.00 80.08 ? 550 GLU A CG 1 ATOM 4231 C CD . GLU A 1 550 ? 4.471 -69.758 -35.767 0.0000 74.85 ? 550 GLU A CD 1 ATOM 4232 O OE1 . GLU A 1 550 ? 4.763 -68.752 -36.458 1.00 70.15 ? 550 GLU A OE1 1 ATOM 4233 O OE2 . GLU A 1 550 ? 4.254 -69.714 -34.535 1.00 74.87 ? 550 GLU A OE2 1 ATOM 4234 N N . ARG A 1 551 ? 0.916 -72.713 -39.408 1.00 98.91 ? 551 ARG A N 1 ATOM 4235 C CA . ARG A 1 551 ? -0.499 -72.973 -39.668 1.00 93.91 ? 551 ARG A CA 1 ATOM 4236 C C . ARG A 1 551 ? -0.771 -74.477 -39.748 1.00 101.69 ? 551 ARG A C 1 ATOM 4237 O O . ARG A 1 551 ? -1.808 -74.957 -39.279 1.00 104.79 ? 551 ARG A O 1 ATOM 4238 C CB . ARG A 1 551 ? -0.917 -72.288 -40.970 1.00 83.22 ? 551 ARG A CB 1 ATOM 4239 C CG . ARG A 1 551 ? -2.412 -72.176 -41.199 1.00 76.66 ? 551 ARG A CG 1 ATOM 4240 C CD . ARG A 1 551 ? -2.696 -71.162 -42.308 1.00 69.41 ? 551 ARG A CD 1 ATOM 4241 N NE . ARG A 1 551 ? -2.238 -69.821 -41.942 0.49 64.41 ? 551 ARG A NE 1 ATOM 4242 C CZ . ARG A 1 551 ? -1.753 -68.930 -42.803 0.0000 62.21 ? 551 ARG A CZ 1 ATOM 4243 N NH1 . ARG A 1 551 ? -1.653 -69.235 -44.094 1.00 62.64 ? 551 ARG A NH1 1 ATOM 4244 N NH2 . ARG A 1 551 ? -1.362 -67.732 -42.371 1.00 59.99 ? 551 ARG A NH2 1 ATOM 4245 N N . GLN A 1 552 ? 0.168 -75.209 -40.346 1.00 104.04 ? 552 GLN A N 1 ATOM 4246 C CA . GLN A 1 552 ? 0.114 -76.671 -40.399 1.00 101.51 ? 552 GLN A CA 1 ATOM 4247 C C . GLN A 1 552 ? 0.378 -77.299 -39.023 1.00 107.78 ? 552 GLN A C 1 ATOM 4248 O O . GLN A 1 552 ? 0.023 -78.453 -38.792 1.00 112.79 ? 552 GLN A O 1 ATOM 4249 C CB . GLN A 1 552 ? 1.120 -77.218 -41.424 1.00 89.67 ? 552 GLN A CB 1 ATOM 4250 C CG . GLN A 1 552 ? 0.500 -77.945 -42.616 0.95 84.40 ? 552 GLN A CG 1 ATOM 4251 C CD . GLN A 1 552 ? 1.536 -78.662 -43.487 0.0000 81.52 ? 552 GLN A CD 1 ATOM 4252 O OE1 . GLN A 1 552 ? 2.337 -78.026 -44.180 1.00 80.92 ? 552 GLN A OE1 1 ATOM 4253 N NE2 . GLN A 1 552 ? 1.519 -79.995 -43.453 1.00 79.65 ? 552 GLN A NE2 1 ATOM 4254 N N . TRP A 1 553 ? 1.002 -76.538 -38.120 1.00 107.42 ? 553 TRP A N 1 ATOM 4255 C CA . TRP A 1 553 ? 1.339 -77.023 -36.772 1.00 107.32 ? 553 TRP A CA 1 ATOM 4256 C C . TRP A 1 553 ? 0.177 -76.884 -35.772 1.00 116.35 ? 553 TRP A C 1 ATOM 4257 O O . TRP A 1 553 ? 0.122 -77.613 -34.775 1.00 114.52 ? 553 TRP A O 1 ATOM 4258 C CB . TRP A 1 553 ? 2.595 -76.318 -36.226 1.00 94.98 ? 553 TRP A CB 1 ATOM 4259 C CG . TRP A 1 553 ? 3.899 -76.796 -36.816 1.00 85.60 ? 553 TRP A CG 1 ATOM 4260 C CD1 . TRP A 1 553 ? 4.125 -77.978 -37.463 0.0000 84.81 ? 553 TRP A CD1 1 ATOM 4261 C CD2 . TRP A 1 553 ? 5.151 -76.095 -36.818 0.0000 76.66 ? 553 TRP A CD2 1 ATOM 4262 N NE1 . TRP A 1 553 ? 5.440 -78.056 -37.863 0.86 82.70 ? 553 TRP A NE1 1 ATOM 4263 C CE2 . TRP A 1 553 ? 6.088 -76.912 -37.480 0.42 72.91 ? 553 TRP A CE2 1 ATOM 4264 C CE3 . TRP A 1 553 ? 5.569 -74.855 -36.327 0.66 72.02 ? 553 TRP A CE3 1 ATOM 4265 C CZ2 . TRP A 1 553 ? 7.413 -76.536 -37.654 1.00 60.94 ? 553 TRP A CZ2 1 ATOM 4266 C CZ3 . TRP A 1 553 ? 6.887 -74.482 -36.505 1.00 65.28 ? 553 TRP A CZ3 1 ATOM 4267 C CH2 . TRP A 1 553 ? 7.792 -75.318 -37.164 0.0000 62.70 ? 553 TRP A CH2 1 ATOM 4268 N N . LYS A 1 554 ? -0.739 -75.947 -36.035 1.00 122.88 ? 554 LYS A N 1 ATOM 4269 C CA . LYS A 1 554 ? -1.937 -75.766 -35.200 1.00 123.11 ? 554 LYS A CA 1 ATOM 4270 C C . LYS A 1 554 ? -3.073 -76.681 -35.668 1.00 129.33 ? 554 LYS A C 1 ATOM 4271 O O . LYS A 1 554 ? -3.927 -77.091 -34.874 1.00 127.14 ? 554 LYS A O 1 ATOM 4272 C CB . LYS A 1 554 ? -2.400 -74.300 -35.192 0.96 109.58 ? 554 LYS A CB 1 ATOM 4273 C CG . LYS A 1 554 ? -3.154 -73.860 -36.446 0.26 98.83 ? 554 LYS A CG 1 ATOM 4274 C CD . LYS A 1 554 ? -4.659 -73.734 -36.207 1.00 91.37 ? 554 LYS A CD 1 ATOM 4275 C CE . LYS A 1 554 ? -5.009 -72.422 -35.514 0.78 85.81 ? 554 LYS A CE 1 ATOM 4276 N NZ . LYS A 1 554 ? -6.480 -72.233 -35.367 1.00 85.05 ? 554 LYS A NZ 1 ATOM 4277 N N . ALA A 1 555 ? -3.076 -76.985 -36.964 1.00 131.65 ? 555 ALA A N 1 ATOM 4278 C CA . ALA A 1 555 ? -3.994 -77.964 -37.527 1.00 130.09 ? 555 ALA A CA 1 ATOM 4279 C C . ALA A 1 555 ? -3.609 -79.356 -37.026 1.00 131.14 ? 555 ALA A C 1 ATOM 4280 O O . ALA A 1 555 ? -4.474 -80.182 -36.730 1.00 130.96 ? 555 ALA A O 1 ATOM 4281 C CB . ALA A 1 555 ? -3.964 -77.907 -39.056 1.00 124.49 ? 555 ALA A CB 1 ATOM 4282 N N . GLU A 1 556 ? -2.303 -79.594 -36.915 1.00 130.05 ? 556 GLU A N 1 ATOM 4283 C CA . GLU A 1 556 ? -1.765 -80.886 -36.488 1.00 127.46 ? 556 GLU A CA 1 ATOM 4284 C C . GLU A 1 556 ? -1.725 -81.023 -34.962 1.00 133.41 ? 556 GLU A C 1 ATOM 4285 O O . GLU A 1 556 ? -1.518 -82.122 -34.435 1.00 141.38 ? 556 GLU A O 1 ATOM 4286 C CB . GLU A 1 556 ? -0.369 -81.114 -37.086 0.0000 117.89 ? 556 GLU A CB 1 ATOM 4287 C CG . GLU A 1 556 ? 0.123 -82.558 -37.024 0.78 111.99 ? 556 GLU A CG 1 ATOM 4288 C CD . GLU A 1 556 ? 1.433 -82.771 -37.758 0.0000 104.88 ? 556 GLU A CD 1 ATOM 4289 O OE1 . GLU A 1 556 ? 2.025 -81.783 -38.243 1.00 99.24 ? 556 GLU A OE1 1 ATOM 4290 O OE2 . GLU A 1 556 ? 1.868 -83.936 -37.852 1.00 104.06 ? 556 GLU A OE2 1 ATOM 4291 N N . PHE A 1 557 ? -1.918 -79.911 -34.254 1.00 127.87 ? 557 PHE A N 1 ATOM 4292 C CA . PHE A 1 557 ? -2.067 -79.964 -32.800 1.00 123.84 ? 557 PHE A CA 1 ATOM 4293 C C . PHE A 1 557 ? -3.538 -79.957 -32.378 1.00 123.30 ? 557 PHE A C 1 ATOM 4294 O O . PHE A 1 557 ? -3.872 -80.372 -31.267 1.00 126.07 ? 557 PHE A O 1 ATOM 4295 C CB . PHE A 1 557 ? -1.301 -78.837 -32.099 1.00 117.29 ? 557 PHE A CB 1 ATOM 4296 C CG . PHE A 1 557 ? -1.526 -78.793 -30.610 0.16 115.72 ? 557 PHE A CG 1 ATOM 4297 C CD1 . PHE A 1 557 ? -1.115 -79.843 -29.803 0.87 117.77 ? 557 PHE A CD1 1 ATOM 4298 C CD2 . PHE A 1 557 ? -2.176 -77.718 -30.022 0.41 112.31 ? 557 PHE A CD2 1 ATOM 4299 C CE1 . PHE A 1 557 ? -1.329 -79.814 -28.435 1.00 118.26 ? 557 PHE A CE1 1 ATOM 4300 C CE2 . PHE A 1 557 ? -2.392 -77.682 -28.654 1.00 111.93 ? 557 PHE A CE2 1 ATOM 4301 C CZ . PHE A 1 557 ? -1.970 -78.732 -27.861 1.00 115.59 ? 557 PHE A CZ 1 ATOM 4302 N N . HIS A 1 558 ? -4.418 -79.494 -33.265 1.00 117.18 ? 558 HIS A N 1 ATOM 4303 C CA . HIS A 1 558 ? -5.850 -79.573 -32.997 1.00 114.53 ? 558 HIS A CA 1 ATOM 4304 C C . HIS A 1 558 ? -6.331 -81.031 -32.979 1.00 124.09 ? 558 HIS A C 1 ATOM 4305 O O . HIS A 1 558 ? -7.076 -81.426 -32.079 1.00 132.88 ? 558 HIS A O 1 ATOM 4306 C CB . HIS A 1 558 ? -6.663 -78.747 -33.997 1.00 104.26 ? 558 HIS A CB 1 ATOM 4307 C CG . HIS A 1 558 ? -8.127 -78.711 -33.688 0.0000 96.71 ? 558 HIS A CG 1 ATOM 4308 N ND1 . HIS A 1 558 ? -9.068 -79.368 -34.451 0.99 94.10 ? 558 HIS A ND1 1 ATOM 4309 C CD2 . HIS A 1 558 ? -8.809 -78.113 -32.682 1.00 92.16 ? 558 HIS A CD2 1 ATOM 4310 C CE1 . HIS A 1 558 ? -10.268 -79.171 -33.934 0.65 94.17 ? 558 HIS A CE1 1 ATOM 4311 N NE2 . HIS A 1 558 ? -10.138 -78.410 -32.861 0.52 92.66 ? 558 HIS A NE2 1 ATOM 4312 N N . ARG A 1 559 ? -5.902 -81.825 -33.963 1.00 121.41 ? 559 ARG A N 1 ATOM 4313 C CA . ARG A 1 559 ? -6.233 -83.258 -34.014 1.00 116.76 ? 559 ARG A CA 1 ATOM 4314 C C . ARG A 1 559 ? -5.454 -84.078 -32.971 1.00 122.66 ? 559 ARG A C 1 ATOM 4315 O O . ARG A 1 559 ? -5.907 -85.143 -32.543 1.00 127.69 ? 559 ARG A O 1 ATOM 4316 C CB . ARG A 1 559 ? -6.022 -83.838 -35.425 1.00 102.97 ? 559 ARG A CB 1 ATOM 4317 C CG . ARG A 1 559 ? -4.603 -83.692 -35.970 0.39 93.30 ? 559 ARG A CG 1 ATOM 4318 C CD . ARG A 1 559 ? -3.999 -85.031 -36.390 1.00 88.32 ? 559 ARG A CD 1 ATOM 4319 N NE . ARG A 1 559 ? -3.426 -85.789 -35.274 0.0000 86.58 ? 559 ARG A NE 1 ATOM 4320 C CZ . ARG A 1 559 ? -2.138 -86.114 -35.167 0.27 82.81 ? 559 ARG A CZ 1 ATOM 4321 N NH1 . ARG A 1 559 ? -1.278 -85.748 -36.106 1.00 77.35 ? 559 ARG A NH1 1 ATOM 4322 N NH2 . ARG A 1 559 ? -1.705 -86.809 -34.124 1.00 75.68 ? 559 ARG A NH2 1 ATOM 4323 N N . TRP A 1 560 ? -4.287 -83.575 -32.571 1.00 119.91 ? 560 TRP A N 1 ATOM 4324 C CA . TRP A 1 560 ? -3.473 -84.213 -31.541 1.00 118.39 ? 560 TRP A CA 1 ATOM 4325 C C . TRP A 1 560 ? -4.115 -84.006 -30.175 1.00 127.12 ? 560 TRP A C 1 ATOM 4326 O O . TRP A 1 560 ? -4.147 -84.921 -29.345 1.00 130.36 ? 560 TRP A O 1 ATOM 4327 C CB . TRP A 1 560 ? -2.053 -83.633 -31.536 0.30 106.50 ? 560 TRP A CB 1 ATOM 4328 C CG . TRP A 1 560 ? -1.087 -84.401 -30.678 1.00 100.30 ? 560 TRP A CG 1 ATOM 4329 C CD1 . TRP A 1 560 ? -0.135 -85.278 -31.106 0.0000 99.42 ? 560 TRP A CD1 1 ATOM 4330 C CD2 . TRP A 1 560 ? -0.987 -84.368 -29.247 0.40 100.40 ? 560 TRP A CD2 1 ATOM 4331 N NE1 . TRP A 1 560 ? 0.555 -85.787 -30.034 1.00 100.68 ? 560 TRP A NE1 1 ATOM 4332 C CE2 . TRP A 1 560 ? 0.049 -85.247 -28.882 0.67 102.31 ? 560 TRP A CE2 1 ATOM 4333 C CE3 . TRP A 1 560 ? -1.668 -83.675 -28.240 0.33 101.13 ? 560 TRP A CE3 1 ATOM 4334 C CZ2 . TRP A 1 560 ? 0.415 -85.455 -27.555 0.22 106.66 ? 560 TRP A CZ2 1 ATOM 4335 C CZ3 . TRP A 1 560 ? -1.308 -83.888 -26.930 1.00 105.20 ? 560 TRP A CZ3 1 ATOM 4336 C CH2 . TRP A 1 560 ? -0.276 -84.768 -26.597 1.00 108.50 ? 560 TRP A CH2 1 ATOM 4337 N N . SER A 1 561 ? -4.609 -82.789 -29.945 1.00 127.06 ? 561 SER A N 1 ATOM 4338 C CA . SER A 1 561 ? -5.240 -82.427 -28.678 1.00 125.13 ? 561 SER A CA 1 ATOM 4339 C C . SER A 1 561 ? -6.531 -83.214 -28.441 1.00 131.24 ? 561 SER A C 1 ATOM 4340 O O . SER A 1 561 ? -6.843 -83.567 -27.302 1.00 134.37 ? 561 SER A O 1 ATOM 4341 C CB . SER A 1 561 ? -5.518 -80.921 -28.620 1.00 112.55 ? 561 SER A CB 1 ATOM 4342 O OG . SER A 1 561 ? -6.515 -80.549 -29.555 0.88 105.17 ? 561 SER A OG 1 ATOM 4343 N N . SER A 1 562 ? -7.268 -83.486 -29.519 1.00 129.45 ? 562 SER A N 1 ATOM 4344 C CA . SER A 1 562 ? -8.505 -84.266 -29.447 1.00 127.59 ? 562 SER A CA 1 ATOM 4345 C C . SER A 1 562 ? -8.237 -85.748 -29.166 1.00 134.45 ? 562 SER A C 1 ATOM 4346 O O . SER A 1 562 ? -9.072 -86.431 -28.567 1.00 142.14 ? 562 SER A O 1 ATOM 4347 C CB . SER A 1 562 ? -9.319 -84.118 -30.734 1.00 120.19 ? 562 SER A CB 1 ATOM 4348 O OG . SER A 1 562 ? -8.672 -84.761 -31.818 0.0000 119.61 ? 562 SER A OG 1 ATOM 4349 N N . TYR A 1 563 ? -7.076 -86.240 -29.600 1.00 129.13 ? 563 TYR A N 1 ATOM 4350 C CA . TYR A 1 563 ? -6.651 -87.611 -29.296 1.00 124.34 ? 563 TYR A CA 1 ATOM 4351 C C . TYR A 1 563 ? -6.235 -87.747 -27.836 1.00 129.17 ? 563 TYR A C 1 ATOM 4352 O O . TYR A 1 563 ? -6.059 -88.858 -27.326 1.00 131.44 ? 563 TYR A O 1 ATOM 4353 C CB . TYR A 1 563 ? -5.510 -88.048 -30.215 1.00 112.09 ? 563 TYR A CB 1 ATOM 4354 C CG . TYR A 1 563 ? -5.941 -88.208 -31.650 0.70 101.54 ? 563 TYR A CG 1 ATOM 4355 C CD1 . TYR A 1 563 ? -7.268 -88.463 -31.965 0.0000 101.01 ? 563 TYR A CD1 1 ATOM 4356 C CD2 . TYR A 1 563 ? -5.029 -88.094 -32.687 0.60 93.74 ? 563 TYR A CD2 1 ATOM 4357 C CE1 . TYR A 1 563 ? -7.674 -88.606 -33.271 1.00 83.11 ? 563 TYR A CE1 1 ATOM 4358 C CE2 . TYR A 1 563 ? -5.426 -88.231 -33.997 1.00 87.67 ? 563 TYR A CE2 1 ATOM 4359 C CZ . TYR A 1 563 ? -6.748 -88.490 -34.284 0.31 84.64 ? 563 TYR A CZ 1 ATOM 4360 O OH . TYR A 1 563 ? -7.146 -88.631 -35.592 0.92 80.78 ? 563 TYR A OH 1 ATOM 4361 N N . MET A 1 564 ? -6.074 -86.604 -27.174 1.00 130.18 ? 564 MET A N 1 ATOM 4362 C CA . MET A 1 564 ? -5.821 -86.567 -25.742 1.00 127.52 ? 564 MET A CA 1 ATOM 4363 C C . MET A 1 564 ? -7.127 -86.470 -24.949 1.00 132.56 ? 564 MET A C 1 ATOM 4364 O O . MET A 1 564 ? -7.255 -87.100 -23.899 1.00 137.58 ? 564 MET A O 1 ATOM 4365 C CB . MET A 1 564 ? -4.870 -85.422 -25.379 0.46 116.68 ? 564 MET A CB 1 ATOM 4366 C CG . MET A 1 564 ? -3.499 -85.895 -24.914 1.00 112.55 ? 564 MET A CG 1 ATOM 4367 S SD . MET A 1 564 ? -3.668 -87.124 -23.606 0.50 104.79 ? 564 MET A SD 1 ATOM 4368 C CE . MET A 1 564 ? -2.014 -87.782 -23.511 1.00 92.51 ? 564 MET A CE 1 ATOM 4369 N N . VAL A 1 565 ? -8.098 -85.701 -25.450 1.00 133.64 ? 565 VAL A N 1 ATOM 4370 C CA . VAL A 1 565 ? -9.396 -85.586 -24.774 1.00 138.21 ? 565 VAL A CA 1 ATOM 4371 C C . VAL A 1 565 ? -10.154 -86.918 -24.790 1.00 146.56 ? 565 VAL A C 1 ATOM 4372 O O . VAL A 1 565 ? -10.970 -87.187 -23.905 1.00 152.31 ? 565 VAL A O 1 ATOM 4373 C CB . VAL A 1 565 ? -10.294 -84.433 -25.332 0.0000 89.48 ? 565 VAL A CB 1 ATOM 4374 C CG1 . VAL A 1 565 ? -9.471 -83.183 -25.613 0.72 86.55 ? 565 VAL A CG1 1 ATOM 4375 C CG2 . VAL A 1 565 ? -11.068 -84.869 -26.575 1.00 86.09 ? 565 VAL A CG2 1 ATOM 4376 N N . HIS A 1 566 ? -9.868 -87.748 -25.794 1.00 145.67 ? 566 HIS A N 1 ATOM 4377 C CA . HIS A 1 566 ? -10.399 -89.109 -25.861 1.00 141.89 ? 566 HIS A CA 1 ATOM 4378 C C . HIS A 1 566 ? -9.777 -89.940 -24.739 1.00 147.47 ? 566 HIS A C 1 ATOM 4379 O O . HIS A 1 566 ? -10.477 -90.627 -23.986 1.00 154.88 ? 566 HIS A O 1 ATOM 4380 C CB . HIS A 1 566 ? -10.077 -89.736 -27.220 1.00 128.11 ? 566 HIS A CB 1 ATOM 4381 C CG . HIS A 1 566 ? -10.704 -91.079 -27.434 0.22 121.46 ? 566 HIS A CG 1 ATOM 4382 N ND1 . HIS A 1 566 ? -10.318 -92.203 -26.734 0.0000 121.81 ? 566 HIS A ND1 1 ATOM 4383 C CD2 . HIS A 1 566 ? -11.682 -91.480 -28.278 1.00 115.54 ? 566 HIS A CD2 1 ATOM 4384 C CE1 . HIS A 1 566 ? -11.037 -93.237 -27.133 1.00 121.03 ? 566 HIS A CE1 1 ATOM 4385 N NE2 . HIS A 1 566 ? -11.871 -92.826 -28.071 0.92 117.62 ? 566 HIS A NE2 1 ATOM 4386 N N . TRP A 1 567 ? -8.452 -89.867 -24.648 1.00 140.38 ? 567 TRP A N 1 ATOM 4387 C CA . TRP A 1 567 ? -7.693 -90.484 -23.567 1.00 134.27 ? 567 TRP A CA 1 ATOM 4388 C C . TRP A 1 567 ? -8.104 -89.866 -22.226 1.00 130.91 ? 567 TRP A C 1 ATOM 4389 O O . TRP A 1 567 ? -9.124 -90.237 -21.638 1.00 129.73 ? 567 TRP A O 1 ATOM 4390 C CB . TRP A 1 567 ? -6.192 -90.286 -23.821 1.00 123.65 ? 567 TRP A CB 1 ATOM 4391 C CG . TRP A 1 567 ? -5.289 -91.011 -22.872 0.72 121.01 ? 567 TRP A CG 1 ATOM 4392 C CD1 . TRP A 1 567 ? -5.313 -90.958 -21.510 1.00 104.36 ? 567 TRP A CD1 1 ATOM 4393 C CD2 . TRP A 1 567 ? -4.206 -91.880 -23.218 0.0000 119.79 ? 567 TRP A CD2 1 ATOM 4394 N NE1 . TRP A 1 567 ? -4.323 -91.748 -20.986 0.98 106.70 ? 567 TRP A NE1 1 ATOM 4395 C CE2 . TRP A 1 567 ? -3.627 -92.325 -22.014 0.24 106.08 ? 567 TRP A CE2 1 ATOM 4396 C CE3 . TRP A 1 567 ? -3.674 -92.328 -24.428 1.00 102.22 ? 567 TRP A CE3 1 ATOM 4397 C CZ2 . TRP A 1 567 ? -2.546 -93.195 -21.985 1.00 107.87 ? 567 TRP A CZ2 1 ATOM 4398 C CZ3 . TRP A 1 567 ? -2.603 -93.193 -24.396 0.73 105.67 ? 567 TRP A CZ3 1 ATOM 4399 C CH2 . TRP A 1 567 ? -2.048 -93.616 -23.184 1.00 106.79 ? 567 TRP A CH2 1 ATOM 4400 N N . THR B 2 1 ? -26.912 -26.538 -31.366 1.00 81.91 ? 1 THR B N 1 ATOM 4401 C CA . THR B 2 1 ? -25.482 -26.732 -31.605 1.00 86.64 ? 1 THR B CA 1 ATOM 4402 C C . THR B 2 1 ? -25.134 -26.564 -33.090 1.00 87.31 ? 1 THR B C 1 ATOM 4403 O O . THR B 2 1 ? -25.871 -27.008 -33.972 1.00 87.78 ? 1 THR B O 1 ATOM 4404 C CB . THR B 2 1 ? -24.983 -28.122 -31.118 1.00 79.11 ? 1 THR B CB 1 ATOM 4405 O OG1 . THR B 2 1 ? -25.845 -28.633 -30.095 1.00 79.83 ? 1 THR B OG1 1 ATOM 4406 C CG2 . THR B 2 1 ? -23.574 -28.019 -30.565 1.00 78.01 ? 1 THR B CG2 1 ATOM 4407 N N . MET B 2 2 ? -24.007 -25.910 -33.355 1.00 85.82 ? 2 MET B N 1 ATOM 4408 C CA . MET B 2 2 ? -23.541 -25.691 -34.720 1.00 80.70 ? 2 MET B CA 1 ATOM 4409 C C . MET B 2 2 ? -22.484 -26.729 -35.086 1.00 81.46 ? 2 MET B C 1 ATOM 4410 O O . MET B 2 2 ? -21.428 -26.793 -34.457 1.00 80.14 ? 2 MET B O 1 ATOM 4411 C CB . MET B 2 2 ? -22.973 -24.276 -34.872 1.00 74.52 ? 2 MET B CB 1 ATOM 4412 C CG . MET B 2 2 ? -24.027 -23.186 -34.919 1.00 75.23 ? 2 MET B CG 1 ATOM 4413 S SD . MET B 2 2 ? -25.262 -23.530 -36.192 1.00 88.92 ? 2 MET B SD 1 ATOM 4414 C CE . MET B 2 2 ? -26.031 -21.920 -36.399 1.00 67.93 ? 2 MET B CE 1 ATOM 4415 N N . CYS B 2 3 ? -22.766 -27.540 -36.102 1.00 78.63 ? 3 CYS B N 1 ATOM 4416 C CA . CYS B 2 3 ? -21.881 -28.650 -36.441 1.00 75.29 ? 3 CYS B CA 1 ATOM 4417 C C . CYS B 2 3 ? -21.625 -28.795 -37.934 1.00 65.05 ? 3 CYS B C 1 ATOM 4418 O O . CYS B 2 3 ? -22.435 -28.367 -38.744 1.00 73.38 ? 3 CYS B O 1 ATOM 4419 C CB . CYS B 2 3 ? -22.446 -29.957 -35.883 1.00 81.01 ? 3 CYS B CB 1 ATOM 4420 S SG . CYS B 2 3 ? -22.198 -30.161 -34.108 1.00 88.93 ? 3 CYS B SG 1 ATOM 4421 N N . TYR B 2 4 ? -20.499 -29.405 -38.292 1.00 53.73 ? 4 TYR B N 1 ATOM 4422 C CA . TYR B 2 4 ? -20.199 -29.663 -39.694 1.00 53.18 ? 4 TYR B CA 1 ATOM 4423 C C . TYR B 2 4 ? -21.179 -30.661 -40.308 1.00 54.18 ? 4 TYR B C 1 ATOM 4424 O O . TYR B 2 4 ? -21.789 -31.468 -39.610 1.00 54.08 ? 4 TYR B O 1 ATOM 4425 C CB . TYR B 2 4 ? -18.756 -30.134 -39.874 1.00 57.31 ? 4 TYR B CB 1 ATOM 4426 C CG . TYR B 2 4 ? -17.736 -29.084 -39.513 1.00 67.78 ? 4 TYR B CG 1 ATOM 4427 C CD1 . TYR B 2 4 ? -17.460 -28.029 -40.374 1.00 66.69 ? 4 TYR B CD1 1 ATOM 4428 C CD2 . TYR B 2 4 ? -17.045 -29.146 -38.306 1.00 73.12 ? 4 TYR B CD2 1 ATOM 4429 C CE1 . TYR B 2 4 ? -16.523 -27.059 -40.039 1.00 71.19 ? 4 TYR B CE1 1 ATOM 4430 C CE2 . TYR B 2 4 ? -16.102 -28.192 -37.969 1.00 72.48 ? 4 TYR B CE2 1 ATOM 4431 C CZ . TYR B 2 4 ? -15.850 -27.142 -38.831 1.00 73.73 ? 4 TYR B CZ 1 ATOM 4432 O OH . TYR B 2 4 ? -14.915 -26.182 -38.495 1.00 73.28 ? 4 TYR B OH 1 ATOM 4433 N N . SER B 2 5 ? -21.320 -30.583 -41.627 1.00 59.00 ? 5 SER B N 1 ATOM 4434 C CA . SER B 2 5 ? -22.306 -31.347 -42.374 1.00 54.62 ? 5 SER B CA 1 ATOM 4435 C C . SER B 2 5 ? -21.757 -31.545 -43.778 1.00 51.63 ? 5 SER B C 1 ATOM 4436 O O . SER B 2 5 ? -21.361 -30.575 -44.427 1.00 48.79 ? 5 SER B O 1 ATOM 4437 C CB . SER B 2 5 ? -23.618 -30.560 -42.452 1.00 45.40 ? 5 SER B CB 1 ATOM 4438 O OG . SER B 2 5 ? -24.737 -31.405 -42.637 1.00 45.29 ? 5 SER B OG 1 ATOM 4439 N N . HIS B 2 6 ? -21.717 -32.795 -44.234 1.00 52.14 ? 6 HIS B N 1 ATOM 4440 C CA . HIS B 2 6 ? -21.319 -33.116 -45.603 1.00 52.77 ? 6 HIS B CA 1 ATOM 4441 C C . HIS B 2 6 ? -21.507 -34.585 -45.910 1.00 51.66 ? 6 HIS B C 1 ATOM 4442 O O . HIS B 2 6 ? -21.646 -35.393 -44.999 1.00 35.92 ? 6 HIS B O 1 ATOM 4443 C CB . HIS B 2 6 ? -19.856 -32.746 -45.860 1.00 57.81 ? 6 HIS B CB 1 ATOM 4444 C CG . HIS B 2 6 ? -18.878 -33.445 -44.968 1.00 55.91 ? 6 HIS B CG 1 ATOM 4445 N ND1 . HIS B 2 6 ? -18.835 -34.815 -44.829 1.00 46.79 ? 6 HIS B ND1 1 ATOM 4446 C CD2 . HIS B 2 6 ? -17.887 -32.958 -44.185 1.00 60.04 ? 6 HIS B CD2 1 ATOM 4447 C CE1 . HIS B 2 6 ? -17.866 -35.140 -43.992 1.00 49.05 ? 6 HIS B CE1 1 ATOM 4448 N NE2 . HIS B 2 6 ? -17.273 -34.032 -43.589 1.00 53.97 ? 6 HIS B NE2 1 ATOM 4449 N N . THR B 2 7 ? -21.483 -34.933 -47.193 1.00 34.51 ? 7 THR B N 1 ATOM 4450 C CA . THR B 2 7 ? -21.447 -36.337 -47.568 1.00 43.15 ? 7 THR B CA 1 ATOM 4451 C C . THR B 2 7 ? -20.048 -36.827 -47.864 1.00 43.77 ? 7 THR B C 1 ATOM 4452 O O . THR B 2 7 ? -19.032 -36.191 -47.541 1.00 43.47 ? 7 THR B O 1 ATOM 4453 C CB . THR B 2 7 ? -22.264 -36.664 -48.828 1.00 38.38 ? 7 THR B CB 1 ATOM 4454 O OG1 . THR B 2 7 ? -22.882 -35.480 -49.339 1.00 35.86 ? 7 THR B OG1 1 ATOM 4455 C CG2 . THR B 2 7 ? -23.316 -37.747 -48.533 1.00 42.37 ? 7 THR B CG2 1 ATOM 4456 N N . THR B 2 8 ? -20.027 -37.981 -48.508 1.00 40.73 ? 8 THR B N 1 ATOM 4457 C CA . THR B 2 8 ? -18.797 -38.606 -48.909 1.00 40.83 ? 8 THR B CA 1 ATOM 4458 C C . THR B 2 8 ? -18.259 -37.870 -50.144 1.00 42.31 ? 8 THR B C 1 ATOM 4459 O O . THR B 2 8 ? -17.063 -37.876 -50.425 1.00 44.44 ? 8 THR B O 1 ATOM 4460 C CB . THR B 2 8 ? -19.052 -40.096 -49.174 1.00 38.19 ? 8 THR B CB 1 ATOM 4461 O OG1 . THR B 2 8 ? -17.864 -40.846 -48.909 1.00 48.69 ? 8 THR B OG1 1 ATOM 4462 C CG2 . THR B 2 8 ? -19.505 -40.328 -50.590 1.00 33.84 ? 8 THR B CG2 1 ATOM 4463 N N . THR B 2 9 ? -19.154 -37.194 -50.854 1.00 39.94 ? 9 THR B N 1 ATOM 4464 C CA . THR B 2 9 ? -18.817 -36.554 -52.115 1.00 41.90 ? 9 THR B CA 1 ATOM 4465 C C . THR B 2 9 ? -19.241 -35.105 -52.059 1.00 48.69 ? 9 THR B C 1 ATOM 4466 O O . THR B 2 9 ? -19.802 -34.567 -53.017 1.00 51.22 ? 9 THR B O 1 ATOM 4467 C CB . THR B 2 9 ? -19.560 -37.213 -53.299 1.00 38.07 ? 9 THR B CB 1 ATOM 4468 O OG1 . THR B 2 9 ? -20.953 -37.363 -52.985 1.00 35.21 ? 9 THR B OG1 1 ATOM 4469 C CG2 . THR B 2 9 ? -18.974 -38.569 -53.607 1.00 34.52 ? 9 THR B CG2 1 ATOM 4470 N N . SER B 2 10 ? -18.975 -34.474 -50.928 1.00 45.13 ? 10 SER B N 1 ATOM 4471 C CA . SER B 2 10 ? -19.501 -33.148 -50.676 1.00 44.36 ? 10 SER B CA 1 ATOM 4472 C C . SER B 2 10 ? -18.572 -32.360 -49.774 1.00 46.50 ? 10 SER B C 1 ATOM 4473 O O . SER B 2 10 ? -17.695 -32.922 -49.123 1.00 53.07 ? 10 SER B O 1 ATOM 4474 C CB . SER B 2 10 ? -20.880 -33.263 -50.050 1.00 33.93 ? 10 SER B CB 1 ATOM 4475 O OG . SER B 2 10 ? -21.165 -32.125 -49.281 1.00 36.09 ? 10 SER B OG 1 ATOM 4476 N N . ARG B 2 11 ? -18.754 -31.049 -49.743 1.00 47.99 ? 11 ARG B N 1 ATOM 4477 C CA . ARG B 2 11 ? -17.857 -30.202 -48.975 1.00 55.54 ? 11 ARG B CA 1 ATOM 4478 C C . ARG B 2 11 ? -18.452 -29.870 -47.624 1.00 52.51 ? 11 ARG B C 1 ATOM 4479 O O . ARG B 2 11 ? -19.662 -29.658 -47.501 1.00 51.69 ? 11 ARG B O 1 ATOM 4480 C CB . ARG B 2 11 ? -17.541 -28.919 -49.736 1.00 69.62 ? 11 ARG B CB 1 ATOM 4481 C CG . ARG B 2 11 ? -16.104 -28.480 -49.576 1.00 79.13 ? 11 ARG B CG 1 ATOM 4482 C CD . ARG B 2 11 ? -15.309 -28.764 -50.838 1.00 83.50 ? 11 ARG B CD 1 ATOM 4483 N NE . ARG B 2 11 ? -14.514 -27.604 -51.212 1.00 91.87 ? 11 ARG B NE 1 ATOM 4484 C CZ . ARG B 2 11 ? -15.017 -26.510 -51.776 1.00 102.43 ? 11 ARG B CZ 1 ATOM 4485 N NH1 . ARG B 2 11 ? -16.319 -26.429 -52.040 1.00 103.90 ? 11 ARG B NH1 1 ATOM 4486 N NH2 . ARG B 2 11 ? -14.216 -25.495 -52.078 1.00 106.93 ? 11 ARG B NH2 1 ATOM 4487 N N . ALA B 2 12 ? -17.588 -29.831 -46.615 1.00 49.04 ? 12 ALA B N 1 ATOM 4488 C CA . ALA B 2 12 ? -18.012 -29.598 -45.242 1.00 46.97 ? 12 ALA B CA 1 ATOM 4489 C C . ALA B 2 12 ? -18.680 -28.234 -45.083 1.00 51.00 ? 12 ALA B C 1 ATOM 4490 O O . ALA B 2 12 ? -18.077 -27.196 -45.383 1.00 52.93 ? 12 ALA B O 1 ATOM 4491 C CB . ALA B 2 12 ? -16.825 -29.716 -44.312 1.00 48.50 ? 12 ALA B CB 1 ATOM 4492 N N . ILE B 2 13 ? -19.934 -28.240 -44.631 1.00 51.30 ? 13 ILE B N 1 ATOM 4493 C CA . ILE B 2 13 ? -20.643 -26.995 -44.331 1.00 58.64 ? 13 ILE B CA 1 ATOM 4494 C C . ILE B 2 13 ? -21.179 -26.963 -42.895 1.00 70.04 ? 13 ILE B C 1 ATOM 4495 O O . ILE B 2 13 ? -21.401 -28.005 -42.276 1.00 72.15 ? 13 ILE B O 1 ATOM 4496 C CB . ILE B 2 13 ? -21.794 -26.706 -45.323 1.00 53.91 ? 13 ILE B CB 1 ATOM 4497 C CG1 . ILE B 2 13 ? -23.004 -27.608 -45.054 1.00 59.77 ? 13 ILE B CG1 1 ATOM 4498 C CG2 . ILE B 2 13 ? -21.308 -26.853 -46.737 1.00 45.19 ? 13 ILE B CG2 1 ATOM 4499 C CD1 . ILE B 2 13 ? -24.299 -27.109 -45.684 1.00 47.56 ? 13 ILE B CD1 1 ATOM 4500 N N . LEU B 2 14 ? -21.376 -25.757 -42.372 1.00 71.00 ? 14 LEU B N 1 ATOM 4501 C CA . LEU B 2 14 ? -21.933 -25.586 -41.040 1.00 70.46 ? 14 LEU B CA 1 ATOM 4502 C C . LEU B 2 14 ? -23.454 -25.600 -41.120 1.00 71.21 ? 14 LEU B C 1 ATOM 4503 O O . LEU B 2 14 ? -24.048 -24.866 -41.907 1.00 77.19 ? 14 LEU B O 1 ATOM 4504 C CB . LEU B 2 14 ? -21.446 -24.272 -40.424 1.00 73.25 ? 14 LEU B CB 1 ATOM 4505 C CG . LEU B 2 14 ? -20.531 -24.328 -39.196 1.00 70.42 ? 14 LEU B CG 1 ATOM 4506 C CD1 . LEU B 2 14 ? -21.285 -24.773 -37.953 1.00 68.55 ? 14 LEU B CD1 1 ATOM 4507 C CD2 . LEU B 2 14 ? -19.359 -25.241 -39.464 1.00 68.69 ? 14 LEU B CD2 1 ATOM 4508 N N . THR B 2 15 ? -24.076 -26.453 -40.317 1.00 67.54 ? 15 THR B N 1 ATOM 4509 C CA . THR B 2 15 ? -25.528 -26.533 -40.249 1.00 68.82 ? 15 THR B CA 1 ATOM 4510 C C . THR B 2 15 ? -25.928 -26.396 -38.787 1.00 70.59 ? 15 THR B C 1 ATOM 4511 O O . THR B 2 15 ? -25.066 -26.392 -37.909 1.00 70.24 ? 15 THR B O 1 ATOM 4512 C CB . THR B 2 15 ? -26.067 -27.860 -40.843 1.00 55.32 ? 15 THR B CB 1 ATOM 4513 O OG1 . THR B 2 15 ? -27.479 -27.758 -41.066 1.00 56.93 ? 15 THR B OG1 1 ATOM 4514 C CG2 . THR B 2 15 ? -25.790 -29.029 -39.908 1.00 53.93 ? 15 THR B CG2 1 ATOM 4515 N N . ASN B 2 16 ? -27.227 -26.284 -38.524 1.00 73.75 ? 16 ASN B N 1 ATOM 4516 C CA . ASN B 2 16 ? -27.713 -26.018 -37.170 1.00 79.35 ? 16 ASN B CA 1 ATOM 4517 C C . ASN B 2 16 ? -28.362 -27.242 -36.518 1.00 78.09 ? 16 ASN B C 1 ATOM 4518 O O . ASN B 2 16 ? -29.581 -27.373 -36.523 1.00 76.76 ? 16 ASN B O 1 ATOM 4519 C CB . ASN B 2 16 ? -28.708 -24.853 -37.211 1.00 86.06 ? 16 ASN B CB 1 ATOM 4520 C CG . ASN B 2 16 ? -28.971 -24.249 -35.842 1.00 85.75 ? 16 ASN B CG 1 ATOM 4521 O OD1 . ASN B 2 16 ? -28.816 -24.910 -34.812 1.00 82.32 ? 16 ASN B OD1 1 ATOM 4522 N ND2 . ASN B 2 16 ? -29.379 -22.981 -35.826 1.00 87.04 ? 16 ASN B ND2 1 ATOM 4523 N N . CYS B 2 17 ? -27.555 -28.127 -35.939 1.00 80.34 ? 17 CYS B N 1 ATOM 4524 C CA . CYS B 2 17 ? -28.073 -29.395 -35.413 1.00 82.61 ? 17 CYS B CA 1 ATOM 4525 C C . CYS B 2 17 ? -29.002 -29.238 -34.202 1.00 87.70 ? 17 CYS B C 1 ATOM 4526 O O . CYS B 2 17 ? -29.773 -30.145 -33.871 1.00 81.70 ? 17 CYS B O 1 ATOM 4527 C CB . CYS B 2 17 ? -26.925 -30.364 -35.112 1.00 78.56 ? 17 CYS B CB 1 ATOM 4528 S SG . CYS B 2 17 ? -26.143 -31.045 -36.603 1.00 94.92 ? 17 CYS B SG 1 ATOM 4529 N N . GLY B 2 18 ? -28.925 -28.079 -33.557 1.00 98.52 ? 18 GLY B N 1 ATOM 4530 C CA . GLY B 2 18 ? -29.805 -27.756 -32.452 1.00 107.69 ? 18 GLY B CA 1 ATOM 4531 C C . GLY B 2 18 ? -29.686 -28.702 -31.274 1.00 119.98 ? 18 GLY B C 1 ATOM 4532 O O . GLY B 2 18 ? -28.582 -29.039 -30.842 1.00 126.69 ? 18 GLY B O 1 ATOM 4533 N N . GLU B 2 19 ? -30.839 -29.140 -30.773 1.00 122.13 ? 19 GLU B N 1 ATOM 4534 C CA . GLU B 2 19 ? -30.936 -29.907 -29.528 1.00 117.88 ? 19 GLU B CA 1 ATOM 4535 C C . GLU B 2 19 ? -30.038 -31.151 -29.460 1.00 105.56 ? 19 GLU B C 1 ATOM 4536 O O . GLU B 2 19 ? -29.158 -31.241 -28.604 1.00 100.74 ? 19 GLU B O 1 ATOM 4537 C CB . GLU B 2 19 ? -32.409 -30.246 -29.209 1.00 120.08 ? 19 GLU B CB 1 ATOM 4538 C CG . GLU B 2 19 ? -33.136 -31.208 -30.186 1.00 166.45 ? 19 GLU B CG 1 ATOM 4539 C CD . GLU B 2 19 ? -33.200 -30.719 -31.637 1.00 160.03 ? 19 GLU B CD 1 ATOM 4540 O OE1 . GLU B 2 19 ? -32.229 -30.950 -32.393 1.00 155.23 ? 19 GLU B OE1 1 ATOM 4541 O OE2 . GLU B 2 19 ? -34.228 -30.122 -32.026 1.00 157.55 ? 19 GLU B OE2 1 ATOM 4542 N N . ASN B 2 20 ? -30.238 -32.095 -30.370 1.00 100.22 ? 20 ASN B N 1 ATOM 4543 C CA . ASN B 2 20 ? -29.512 -33.349 -30.292 1.00 96.79 ? 20 ASN B CA 1 ATOM 4544 C C . ASN B 2 20 ? -28.035 -33.224 -30.658 1.00 88.16 ? 20 ASN B C 1 ATOM 4545 O O . ASN B 2 20 ? -27.428 -32.156 -30.525 1.00 89.45 ? 20 ASN B O 1 ATOM 4546 C CB . ASN B 2 20 ? -30.197 -34.450 -31.110 1.00 94.32 ? 20 ASN B CB 1 ATOM 4547 C CG . ASN B 2 20 ? -30.256 -34.131 -32.586 1.00 88.68 ? 20 ASN B CG 1 ATOM 4548 O OD1 . ASN B 2 20 ? -30.340 -32.968 -32.982 1.00 86.68 ? 20 ASN B OD1 1 ATOM 4549 N ND2 . ASN B 2 20 ? -30.215 -35.169 -33.413 1.00 87.57 ? 20 ASN B ND2 1 ATOM 4550 N N . SER B 2 21 ? -27.474 -34.328 -31.133 1.00 72.24 ? 21 SER B N 1 ATOM 4551 C CA . SER B 2 21 ? -26.035 -34.510 -31.163 1.00 63.78 ? 21 SER B CA 1 ATOM 4552 C C . SER B 2 21 ? -25.437 -34.355 -32.554 1.00 69.96 ? 21 SER B C 1 ATOM 4553 O O . SER B 2 21 ? -26.159 -34.224 -33.543 1.00 76.97 ? 21 SER B O 1 ATOM 4554 C CB . SER B 2 21 ? -25.718 -35.894 -30.603 1.00 58.47 ? 21 SER B CB 1 ATOM 4555 O OG . SER B 2 21 ? -26.900 -36.684 -30.562 1.00 54.45 ? 21 SER B OG 1 ATOM 4556 N N . CYS B 2 22 ? -24.109 -34.383 -32.623 1.00 68.43 ? 22 CYS B N 1 ATOM 4557 C CA . CYS B 2 22 ? -23.396 -34.250 -33.889 1.00 68.14 ? 22 CYS B CA 1 ATOM 4558 C C . CYS B 2 22 ? -22.429 -35.403 -34.140 1.00 64.55 ? 22 CYS B C 1 ATOM 4559 O O . CYS B 2 22 ? -21.490 -35.613 -33.377 1.00 71.09 ? 22 CYS B O 1 ATOM 4560 C CB . CYS B 2 22 ? -22.644 -32.921 -33.937 1.00 50.26 ? 22 CYS B CB 1 ATOM 4561 S SG . CYS B 2 22 ? -23.730 -31.493 -34.122 1.00 95.68 ? 22 CYS B SG 1 ATOM 4562 N N . TYR B 2 23 ? -22.646 -36.141 -35.223 1.00 54.80 ? 23 TYR B N 1 ATOM 4563 C CA . TYR B 2 23 ? -21.780 -37.271 -35.533 1.00 54.63 ? 23 TYR B CA 1 ATOM 4564 C C . TYR B 2 23 ? -20.671 -36.944 -36.535 1.00 54.98 ? 23 TYR B C 1 ATOM 4565 O O . TYR B 2 23 ? -20.755 -35.983 -37.294 1.00 41.80 ? 23 TYR B O 1 ATOM 4566 C CB . TYR B 2 23 ? -22.598 -38.467 -36.028 1.00 54.59 ? 23 TYR B CB 1 ATOM 4567 C CG . TYR B 2 23 ? -23.110 -38.308 -37.432 1.00 54.59 ? 23 TYR B CG 1 ATOM 4568 C CD1 . TYR B 2 23 ? -24.304 -37.664 -37.679 1.00 42.02 ? 23 TYR B CD1 1 ATOM 4569 C CD2 . TYR B 2 23 ? -22.392 -38.800 -38.512 1.00 55.34 ? 23 TYR B CD2 1 ATOM 4570 C CE1 . TYR B 2 23 ? -24.773 -37.516 -38.955 1.00 51.11 ? 23 TYR B CE1 1 ATOM 4571 C CE2 . TYR B 2 23 ? -22.853 -38.653 -39.804 1.00 53.54 ? 23 TYR B CE2 1 ATOM 4572 C CZ . TYR B 2 23 ? -24.045 -38.008 -40.016 1.00 49.67 ? 23 TYR B CZ 1 ATOM 4573 O OH . TYR B 2 23 ? -24.520 -37.859 -41.290 1.00 38.35 ? 23 TYR B OH 1 ATOM 4574 N N . ARG B 2 24 ? -19.633 -37.775 -36.490 1.00 50.17 ? 24 ARG B N 1 ATOM 4575 C CA . ARG B 2 24 ? -18.514 -37.774 -37.411 1.00 43.49 ? 24 ARG B CA 1 ATOM 4576 C C . ARG B 2 24 ? -18.295 -39.235 -37.793 1.00 51.03 ? 24 ARG B C 1 ATOM 4577 O O . ARG B 2 24 ? -17.782 -40.022 -36.995 1.00 35.68 ? 24 ARG B O 1 ATOM 4578 C CB . ARG B 2 24 ? -17.265 -37.219 -36.725 1.00 38.59 ? 24 ARG B CB 1 ATOM 4579 C CG . ARG B 2 24 ? -15.983 -37.156 -37.572 1.00 37.02 ? 24 ARG B CG 1 ATOM 4580 C CD . ARG B 2 24 ? -14.780 -36.988 -36.657 1.00 45.37 ? 24 ARG B CD 1 ATOM 4581 N NE . ARG B 2 24 ? -13.474 -36.821 -37.300 1.00 36.05 ? 24 ARG B NE 1 ATOM 4582 C CZ . ARG B 2 24 ? -12.680 -37.821 -37.683 1.00 55.23 ? 24 ARG B CZ 1 ATOM 4583 N NH1 . ARG B 2 24 ? -13.065 -39.085 -37.547 1.00 46.59 ? 24 ARG B NH1 1 ATOM 4584 N NH2 . ARG B 2 24 ? -11.498 -37.559 -38.226 1.00 33.21 ? 24 ARG B NH2 1 ATOM 4585 N N . LYS B 2 25 ? -18.721 -39.602 -39.001 1.00 54.10 ? 25 LYS B N 1 ATOM 4586 C CA . LYS B 2 25 ? -18.505 -40.948 -39.528 1.00 46.63 ? 25 LYS B CA 1 ATOM 4587 C C . LYS B 2 25 ? -17.152 -41.023 -40.250 1.00 40.93 ? 25 LYS B C 1 ATOM 4588 O O . LYS B 2 25 ? -16.826 -40.162 -41.056 1.00 45.42 ? 25 LYS B O 1 ATOM 4589 C CB . LYS B 2 25 ? -19.653 -41.348 -40.465 1.00 47.48 ? 25 LYS B CB 1 ATOM 4590 C CG . LYS B 2 25 ? -19.894 -42.855 -40.529 1.00 53.62 ? 25 LYS B CG 1 ATOM 4591 C CD . LYS B 2 25 ? -21.039 -43.240 -41.467 1.00 59.05 ? 25 LYS B CD 1 ATOM 4592 C CE . LYS B 2 25 ? -22.391 -42.691 -41.015 1.00 62.36 ? 25 LYS B CE 1 ATOM 4593 N NZ . LYS B 2 25 ? -23.518 -43.387 -41.716 1.00 64.33 ? 25 LYS B NZ 1 ATOM 4594 N N . SER B 2 26 ? -16.358 -42.040 -39.932 1.00 36.88 ? 26 SER B N 1 ATOM 4595 C CA . SER B 2 26 ? -15.046 -42.224 -40.550 1.00 36.46 ? 26 SER B CA 1 ATOM 4596 C C . SER B 2 26 ? -14.807 -43.714 -40.813 1.00 42.82 ? 26 SER B C 1 ATOM 4597 O O . SER B 2 26 ? -15.546 -44.577 -40.316 1.00 44.69 ? 26 SER B O 1 ATOM 4598 C CB . SER B 2 26 ? -13.917 -41.626 -39.669 1.00 41.38 ? 26 SER B CB 1 ATOM 4599 O OG . SER B 2 26 ? -13.527 -42.446 -38.552 1.00 31.38 ? 26 SER B OG 1 ATOM 4600 N N . ARG B 2 27 ? -13.794 -44.023 -41.614 1.00 36.54 ? 27 ARG B N 1 ATOM 4601 C CA . ARG B 2 27 ? -13.332 -45.397 -41.700 1.00 29.15 ? 27 ARG B CA 1 ATOM 4602 C C . ARG B 2 27 ? -12.781 -45.738 -40.310 1.00 36.20 ? 27 ARG B C 1 ATOM 4603 O O . ARG B 2 27 ? -12.219 -44.874 -39.616 1.00 41.08 ? 27 ARG B O 1 ATOM 4604 C CB . ARG B 2 27 ? -12.269 -45.541 -42.793 1.00 28.07 ? 27 ARG B CB 1 ATOM 4605 C CG . ARG B 2 27 ? -12.020 -46.974 -43.207 1.00 28.33 ? 27 ARG B CG 1 ATOM 4606 C CD . ARG B 2 27 ? -11.033 -47.140 -44.371 1.00 25.11 ? 27 ARG B CD 1 ATOM 4607 N NE . ARG B 2 27 ? -10.836 -48.564 -44.667 1.00 28.23 ? 27 ARG B NE 1 ATOM 4608 C CZ . ARG B 2 27 ? -9.809 -49.287 -44.226 1.00 35.28 ? 27 ARG B CZ 1 ATOM 4609 N NH1 . ARG B 2 27 ? -8.861 -48.716 -43.497 1.00 32.95 ? 27 ARG B NH1 1 ATOM 4610 N NH2 . ARG B 2 27 ? -9.719 -50.580 -44.519 1.00 40.11 ? 27 ARG B NH2 1 ATOM 4611 N N . ARG B 2 28 ? -12.971 -46.972 -39.865 1.00 36.66 ? 28 ARG B N 1 ATOM 4612 C CA . ARG B 2 28 ? -12.581 -47.300 -38.494 1.00 37.93 ? 28 ARG B CA 1 ATOM 4613 C C . ARG B 2 28 ? -11.069 -47.453 -38.390 1.00 48.79 ? 28 ARG B C 1 ATOM 4614 O O . ARG B 2 28 ? -10.420 -46.804 -37.562 1.00 53.77 ? 28 ARG B O 1 ATOM 4615 C CB . ARG B 2 28 ? -13.295 -48.562 -37.991 1.00 29.47 ? 28 ARG B CB 1 ATOM 4616 C CG . ARG B 2 28 ? -13.004 -48.885 -36.537 1.00 31.47 ? 28 ARG B CG 1 ATOM 4617 C CD . ARG B 2 28 ? -13.771 -50.095 -36.017 1.00 39.01 ? 28 ARG B CD 1 ATOM 4618 N NE . ARG B 2 28 ? -15.222 -49.901 -35.983 1.00 43.99 ? 28 ARG B NE 1 ATOM 4619 C CZ . ARG B 2 28 ? -15.880 -49.298 -34.996 1.00 38.79 ? 28 ARG B CZ 1 ATOM 4620 N NH1 . ARG B 2 28 ? -15.219 -48.803 -33.950 1.00 34.08 ? 28 ARG B NH1 1 ATOM 4621 N NH2 . ARG B 2 28 ? -17.204 -49.183 -35.061 1.00 36.90 ? 28 ARG B NH2 1 ATOM 4622 N N . HIS B 2 29 ? -10.523 -48.309 -39.251 1.00 51.50 ? 29 HIS B N 1 ATOM 4623 C CA . HIS B 2 29 ? -9.093 -48.582 -39.303 1.00 50.53 ? 29 HIS B CA 1 ATOM 4624 C C . HIS B 2 29 ? -8.465 -47.650 -40.325 1.00 47.85 ? 29 HIS B C 1 ATOM 4625 O O . HIS B 2 29 ? -9.169 -47.125 -41.192 1.00 58.29 ? 29 HIS B O 1 ATOM 4626 C CB . HIS B 2 29 ? -8.851 -50.034 -39.725 1.00 51.99 ? 29 HIS B CB 1 ATOM 4627 C CG . HIS B 2 29 ? -9.495 -51.046 -38.830 1.00 49.57 ? 29 HIS B CG 1 ATOM 4628 N ND1 . HIS B 2 29 ? -10.587 -51.794 -39.216 1.00 54.04 ? 29 HIS B ND1 1 ATOM 4629 C CD2 . HIS B 2 29 ? -9.199 -51.435 -37.569 1.00 43.52 ? 29 HIS B CD2 1 ATOM 4630 C CE1 . HIS B 2 29 ? -10.940 -52.599 -38.230 1.00 50.19 ? 29 HIS B CE1 1 ATOM 4631 N NE2 . HIS B 2 29 ? -10.113 -52.402 -37.220 1.00 49.61 ? 29 HIS B NE2 1 ATOM 4632 N N . PRO B 2 30 ? -7.141 -47.442 -40.241 1.00 35.34 ? 30 PRO B N 1 ATOM 4633 C CA . PRO B 2 30 ? -6.475 -46.607 -41.240 1.00 40.43 ? 30 PRO B CA 1 ATOM 4634 C C . PRO B 2 30 ? -6.556 -47.207 -42.659 1.00 42.48 ? 30 PRO B C 1 ATOM 4635 O O . PRO B 2 30 ? -6.584 -48.433 -42.802 1.00 45.36 ? 30 PRO B O 1 ATOM 4636 C CB . PRO B 2 30 ? -5.029 -46.573 -40.743 1.00 41.64 ? 30 PRO B CB 1 ATOM 4637 C CG . PRO B 2 30 ? -5.100 -46.910 -39.335 1.00 19.74 ? 30 PRO B CG 1 ATOM 4638 C CD . PRO B 2 30 ? -6.193 -47.900 -39.222 1.00 29.81 ? 30 PRO B CD 1 ATOM 4639 N N . PRO B 2 31 ? -6.627 -46.357 -43.699 1.00 44.04 ? 31 PRO B N 1 ATOM 4640 C CA . PRO B 2 31 ? -6.713 -44.899 -43.577 1.00 42.98 ? 31 PRO B CA 1 ATOM 4641 C C . PRO B 2 31 ? -8.059 -44.491 -43.006 1.00 39.62 ? 31 PRO B C 1 ATOM 4642 O O . PRO B 2 31 ? -9.098 -44.947 -43.490 1.00 38.68 ? 31 PRO B O 1 ATOM 4643 C CB . PRO B 2 31 ? -6.556 -44.402 -45.029 1.00 31.77 ? 31 PRO B CB 1 ATOM 4644 C CG . PRO B 2 31 ? -6.914 -45.547 -45.874 1.00 33.40 ? 31 PRO B CG 1 ATOM 4645 C CD . PRO B 2 31 ? -6.523 -46.784 -45.105 1.00 40.93 ? 31 PRO B CD 1 ATOM 4646 N N . LYS B 2 32 ? -8.023 -43.673 -41.958 1.00 32.17 ? 32 LYS B N 1 ATOM 4647 C CA . LYS B 2 32 ? -9.239 -43.215 -41.304 1.00 33.15 ? 32 LYS B CA 1 ATOM 4648 C C . LYS B 2 32 ? -9.831 -42.002 -42.023 1.00 32.00 ? 32 LYS B C 1 ATOM 4649 O O . LYS B 2 32 ? -9.943 -40.913 -41.449 1.00 28.52 ? 32 LYS B O 1 ATOM 4650 C CB . LYS B 2 32 ? -8.975 -42.890 -39.827 1.00 32.23 ? 32 LYS B CB 1 ATOM 4651 C CG . LYS B 2 32 ? -8.335 -44.012 -39.036 1.00 26.60 ? 32 LYS B CG 1 ATOM 4652 C CD . LYS B 2 32 ? -8.781 -43.953 -37.604 1.00 27.41 ? 32 LYS B CD 1 ATOM 4653 C CE . LYS B 2 32 ? -7.814 -44.671 -36.677 1.00 25.81 ? 32 LYS B CE 1 ATOM 4654 N NZ . LYS B 2 32 ? -8.461 -44.911 -35.354 1.00 26.62 ? 32 LYS B NZ 1 ATOM 4655 N N . MET B 2 33 ? -10.206 -42.204 -43.282 1.00 37.17 ? 33 MET B N 1 ATOM 4656 C CA . MET B 2 33 ? -10.832 -41.162 -44.081 1.00 40.23 ? 33 MET B CA 1 ATOM 4657 C C . MET B 2 33 ? -12.172 -40.811 -43.460 1.00 41.83 ? 33 MET B C 1 ATOM 4658 O O . MET B 2 33 ? -12.902 -41.692 -43.004 1.00 41.23 ? 33 MET B O 1 ATOM 4659 C CB . MET B 2 33 ? -11.059 -41.650 -45.517 1.00 45.25 ? 33 MET B CB 1 ATOM 4660 C CG . MET B 2 33 ? -9.888 -42.364 -46.191 1.00 21.15 ? 33 MET B CG 1 ATOM 4661 S SD . MET B 2 33 ? -8.405 -41.370 -46.482 1.00 30.85 ? 33 MET B SD 1 ATOM 4662 C CE . MET B 2 33 ? -9.077 -39.754 -46.838 1.00 22.94 ? 33 MET B CE 1 ATOM 4663 N N . VAL B 2 34 ? -12.497 -39.527 -43.434 1.00 27.38 ? 34 VAL B N 1 ATOM 4664 C CA . VAL B 2 34 ? -13.783 -39.095 -42.917 1.00 28.96 ? 34 VAL B CA 1 ATOM 4665 C C . VAL B 2 34 ? -14.872 -39.222 -43.992 1.00 42.22 ? 34 VAL B C 1 ATOM 4666 O O . VAL B 2 34 ? -14.734 -38.685 -45.088 1.00 39.25 ? 34 VAL B O 1 ATOM 4667 C CB . VAL B 2 34 ? -13.702 -37.652 -42.416 1.00 30.87 ? 34 VAL B CB 1 ATOM 4668 C CG1 . VAL B 2 34 ? -15.016 -37.230 -41.765 1.00 32.72 ? 34 VAL B CG1 1 ATOM 4669 C CG2 . VAL B 2 34 ? -12.553 -37.508 -41.455 1.00 31.16 ? 34 VAL B CG2 1 ATOM 4670 N N . LEU B 2 35 ? -15.954 -39.926 -43.667 1.00 43.07 ? 35 LEU B N 1 ATOM 4671 C CA . LEU B 2 35 ? -17.011 -40.248 -44.630 1.00 36.67 ? 35 LEU B CA 1 ATOM 4672 C C . LEU B 2 35 ? -18.302 -39.427 -44.460 1.00 40.32 ? 35 LEU B C 1 ATOM 4673 O O . LEU B 2 35 ? -19.228 -39.521 -45.278 1.00 39.97 ? 35 LEU B O 1 ATOM 4674 C CB . LEU B 2 35 ? -17.343 -41.741 -44.562 1.00 33.10 ? 35 LEU B CB 1 ATOM 4675 C CG . LEU B 2 35 ? -16.555 -42.717 -45.431 1.00 34.57 ? 35 LEU B CG 1 ATOM 4676 C CD1 . LEU B 2 35 ? -15.157 -42.213 -45.740 1.00 24.30 ? 35 LEU B CD1 1 ATOM 4677 C CD2 . LEU B 2 35 ? -16.507 -44.062 -44.736 1.00 24.06 ? 35 LEU B CD2 1 ATOM 4678 N N . GLY B 2 36 ? -18.376 -38.625 -43.403 1.00 36.98 ? 36 GLY B N 1 ATOM 4679 C CA . GLY B 2 36 ? -19.552 -37.797 -43.216 1.00 40.06 ? 36 GLY B CA 1 ATOM 4680 C C . GLY B 2 36 ? -19.719 -37.183 -41.843 1.00 41.71 ? 36 GLY B C 1 ATOM 4681 O O . GLY B 2 36 ? -19.099 -37.615 -40.882 1.00 43.47 ? 36 GLY B O 1 ATOM 4682 N N . ARG B 2 37 ? -20.583 -36.176 -41.776 1.00 37.20 ? 37 ARG B N 1 ATOM 4683 C CA . ARG B 2 37 ? -20.854 -35.409 -40.578 1.00 39.37 ? 37 ARG B CA 1 ATOM 4684 C C . ARG B 2 37 ? -22.237 -34.819 -40.753 1.00 49.27 ? 37 ARG B C 1 ATOM 4685 O O . ARG B 2 37 ? -22.611 -34.420 -41.839 1.00 52.30 ? 37 ARG B O 1 ATOM 4686 C CB . ARG B 2 37 ? -19.843 -34.277 -40.412 1.00 40.20 ? 37 ARG B CB 1 ATOM 4687 C CG . ARG B 2 37 ? -18.464 -34.708 -39.922 1.00 44.82 ? 37 ARG B CG 1 ATOM 4688 C CD . ARG B 2 37 ? -17.499 -33.525 -39.830 1.00 47.34 ? 37 ARG B CD 1 ATOM 4689 N NE . ARG B 2 37 ? -16.396 -33.642 -40.778 1.00 45.82 ? 37 ARG B NE 1 ATOM 4690 C CZ . ARG B 2 37 ? -15.116 -33.751 -40.437 1.00 47.71 ? 37 ARG B CZ 1 ATOM 4691 N NH1 . ARG B 2 37 ? -14.772 -33.743 -39.167 1.00 55.18 ? 37 ARG B NH1 1 ATOM 4692 N NH2 . ARG B 2 37 ? -14.176 -33.861 -41.366 1.00 42.77 ? 37 ARG B NH2 1 ATOM 4693 N N . GLY B 2 38 ? -23.008 -34.769 -39.682 1.00 49.74 ? 38 GLY B N 1 ATOM 4694 C CA . GLY B 2 38 ? -24.353 -34.241 -39.761 1.00 50.80 ? 38 GLY B CA 1 ATOM 4695 C C . GLY B 2 38 ? -24.947 -34.329 -38.382 1.00 45.59 ? 38 GLY B C 1 ATOM 4696 O O . GLY B 2 38 ? -24.217 -34.428 -37.405 1.00 45.95 ? 38 GLY B O 1 ATOM 4697 N N . CYS B 2 39 ? -26.270 -34.324 -38.310 1.00 52.02 ? 39 CYS B N 1 ATOM 4698 C CA . CYS B 2 39 ? -26.956 -34.346 -37.031 1.00 55.19 ? 39 CYS B CA 1 ATOM 4699 C C . CYS B 2 39 ? -27.260 -35.749 -36.544 1.00 52.92 ? 39 CYS B C 1 ATOM 4700 O O . CYS B 2 39 ? -27.352 -36.691 -37.331 1.00 45.71 ? 39 CYS B O 1 ATOM 4701 C CB . CYS B 2 39 ? -28.241 -33.524 -37.102 1.00 50.35 ? 39 CYS B CB 1 ATOM 4702 S SG . CYS B 2 39 ? -27.916 -31.765 -37.306 1.00 91.44 ? 39 CYS B SG 1 ATOM 4703 N N . GLY B 2 40 ? -27.402 -35.876 -35.230 1.00 51.40 ? 40 GLY B N 1 ATOM 4704 C CA . GLY B 2 40 ? -27.845 -37.117 -34.628 1.00 55.08 ? 40 GLY B CA 1 ATOM 4705 C C . GLY B 2 40 ? -26.728 -38.059 -34.237 1.00 61.40 ? 40 GLY B C 1 ATOM 4706 O O . GLY B 2 40 ? -25.543 -37.729 -34.340 1.00 46.43 ? 40 GLY B O 1 ATOM 4707 N N . CYS B 2 41 ? -27.127 -39.234 -33.760 1.00 65.41 ? 41 CYS B N 1 ATOM 4708 C CA . CYS B 2 41 ? -26.197 -40.305 -33.442 1.00 62.54 ? 41 CYS B CA 1 ATOM 4709 C C . CYS B 2 41 ? -26.680 -41.591 -34.093 1.00 56.12 ? 41 CYS B C 1 ATOM 4710 O O . CYS B 2 41 ? -27.639 -42.222 -33.617 1.00 48.08 ? 41 CYS B O 1 ATOM 4711 C CB . CYS B 2 41 ? -26.054 -40.498 -31.936 1.00 66.81 ? 41 CYS B CB 1 ATOM 4712 S SG . CYS B 2 41 ? -24.617 -41.493 -31.477 1.00 103.13 ? 41 CYS B SG 1 ATOM 4713 N N . PRO B 2 42 ? -26.026 -41.959 -35.211 1.00 55.71 ? 42 PRO B N 1 ATOM 4714 C CA . PRO B 2 42 ? -26.319 -43.127 -36.038 1.00 39.58 ? 42 PRO B CA 1 ATOM 4715 C C . PRO B 2 42 ? -25.357 -44.290 -35.812 1.00 61.13 ? 42 PRO B C 1 ATOM 4716 O O . PRO B 2 42 ? -24.195 -44.103 -35.431 1.00 37.74 ? 42 PRO B O 1 ATOM 4717 C CB . PRO B 2 42 ? -26.132 -42.576 -37.440 1.00 38.47 ? 42 PRO B CB 1 ATOM 4718 C CG . PRO B 2 42 ? -25.011 -41.588 -37.284 1.00 38.80 ? 42 PRO B CG 1 ATOM 4719 C CD . PRO B 2 42 ? -25.110 -41.027 -35.899 1.00 49.22 ? 42 PRO B CD 1 ATOM 4720 N N . PRO B 2 43 ? -25.847 -45.506 -36.054 1.00 54.61 ? 43 PRO B N 1 ATOM 4721 C CA . PRO B 2 43 ? -25.035 -46.721 -35.912 1.00 43.98 ? 43 PRO B CA 1 ATOM 4722 C C . PRO B 2 43 ? -23.796 -46.745 -36.816 1.00 46.00 ? 43 PRO B C 1 ATOM 4723 O O . PRO B 2 43 ? -23.843 -46.332 -37.995 1.00 49.25 ? 43 PRO B O 1 ATOM 4724 C CB . PRO B 2 43 ? -25.999 -47.837 -36.328 1.00 40.12 ? 43 PRO B CB 1 ATOM 4725 C CG . PRO B 2 43 ? -27.375 -47.258 -36.164 1.00 44.85 ? 43 PRO B CG 1 ATOM 4726 C CD . PRO B 2 43 ? -27.263 -45.788 -36.360 1.00 37.47 ? 43 PRO B CD 1 ATOM 4727 N N . GLY B 2 44 ? -22.691 -47.233 -36.262 1.00 32.99 ? 44 GLY B N 1 ATOM 4728 C CA . GLY B 2 44 ? -21.500 -47.535 -37.048 1.00 36.09 ? 44 GLY B CA 1 ATOM 4729 C C . GLY B 2 44 ? -21.395 -49.027 -37.309 1.00 33.87 ? 44 GLY B C 1 ATOM 4730 O O . GLY B 2 44 ? -22.400 -49.734 -37.227 1.00 30.33 ? 44 GLY B O 1 ATOM 4731 N N . ASP B 2 45 ? -20.196 -49.521 -37.607 1.00 28.04 ? 45 ASP B N 1 ATOM 4732 C CA . ASP B 2 45 ? -20.033 -50.944 -37.909 1.00 36.65 ? 45 ASP B CA 1 ATOM 4733 C C . ASP B 2 45 ? -18.573 -51.365 -37.818 1.00 38.26 ? 45 ASP B C 1 ATOM 4734 O O . ASP B 2 45 ? -17.772 -50.730 -37.133 1.00 44.52 ? 45 ASP B O 1 ATOM 4735 C CB . ASP B 2 45 ? -20.579 -51.252 -39.305 1.00 42.93 ? 45 ASP B CB 1 ATOM 4736 C CG . ASP B 2 45 ? -21.238 -52.622 -39.402 1.00 44.88 ? 45 ASP B CG 1 ATOM 4737 O OD1 . ASP B 2 45 ? -20.754 -53.576 -38.752 1.00 44.40 ? 45 ASP B OD1 1 ATOM 4738 O OD2 . ASP B 2 45 ? -22.243 -52.740 -40.146 1.00 42.56 ? 45 ASP B OD2 1 ATOM 4739 N N . ASP B 2 46 ? -18.228 -52.441 -38.512 1.00 39.48 ? 46 ASP B N 1 ATOM 4740 C CA . ASP B 2 46 ? -16.864 -52.944 -38.478 1.00 49.33 ? 46 ASP B CA 1 ATOM 4741 C C . ASP B 2 46 ? -15.943 -51.963 -39.183 1.00 50.04 ? 46 ASP B C 1 ATOM 4742 O O . ASP B 2 46 ? -14.826 -51.728 -38.733 1.00 49.00 ? 46 ASP B O 1 ATOM 4743 C CB . ASP B 2 46 ? -16.768 -54.329 -39.127 1.00 64.50 ? 46 ASP B CB 1 ATOM 4744 C CG . ASP B 2 46 ? -17.739 -55.345 -38.515 1.00 78.65 ? 46 ASP B CG 1 ATOM 4745 O OD1 . ASP B 2 46 ? -17.932 -55.344 -37.275 1.00 78.55 ? 46 ASP B OD1 1 ATOM 4746 O OD2 . ASP B 2 46 ? -18.310 -56.150 -39.288 1.00 83.03 ? 46 ASP B OD2 1 ATOM 4747 N N . ASN B 2 47 ? -16.421 -51.381 -40.281 1.00 55.12 ? 47 ASN B N 1 ATOM 4748 C CA . ASN B 2 47 ? -15.623 -50.426 -41.051 1.00 55.08 ? 47 ASN B CA 1 ATOM 4749 C C . ASN B 2 47 ? -15.942 -48.985 -40.691 1.00 55.70 ? 47 ASN B C 1 ATOM 4750 O O . ASN B 2 47 ? -15.056 -48.131 -40.663 1.00 64.48 ? 47 ASN B O 1 ATOM 4751 C CB . ASN B 2 47 ? -15.820 -50.625 -42.558 1.00 56.31 ? 47 ASN B CB 1 ATOM 4752 C CG . ASN B 2 47 ? -15.417 -52.013 -43.024 1.00 63.11 ? 47 ASN B CG 1 ATOM 4753 O OD1 . ASN B 2 47 ? -14.252 -52.408 -42.895 1.00 69.93 ? 47 ASN B OD1 1 ATOM 4754 N ND2 . ASN B 2 47 ? -16.376 -52.758 -43.588 1.00 54.10 ? 47 ASN B ND2 1 ATOM 4755 N N . LEU B 2 48 ? -17.216 -48.713 -40.433 1.00 46.02 ? 48 LEU B N 1 ATOM 4756 C CA . LEU B 2 48 ? -17.642 -47.368 -40.082 1.00 42.94 ? 48 LEU B CA 1 ATOM 4757 C C . LEU B 2 48 ? -17.470 -47.135 -38.597 1.00 39.58 ? 48 LEU B C 1 ATOM 4758 O O . LEU B 2 48 ? -17.916 -47.934 -37.779 1.00 38.82 ? 48 LEU B O 1 ATOM 4759 C CB . LEU B 2 48 ? -19.113 -47.155 -40.429 1.00 50.33 ? 48 LEU B CB 1 ATOM 4760 C CG . LEU B 2 48 ? -19.572 -47.290 -41.876 1.00 50.86 ? 48 LEU B CG 1 ATOM 4761 C CD1 . LEU B 2 48 ? -21.056 -46.934 -41.960 1.00 53.32 ? 48 LEU B CD1 1 ATOM 4762 C CD2 . LEU B 2 48 ? -18.725 -46.406 -42.785 1.00 47.26 ? 48 LEU B CD2 1 ATOM 4763 N N . GLU B 2 49 ? -16.831 -46.027 -38.253 1.00 41.66 ? 49 GLU B N 1 ATOM 4764 C CA . GLU B 2 49 ? -16.765 -45.584 -36.872 1.00 47.13 ? 49 GLU B CA 1 ATOM 4765 C C . GLU B 2 49 ? -17.502 -44.252 -36.721 1.00 51.41 ? 49 GLU B C 1 ATOM 4766 O O . GLU B 2 49 ? -17.135 -43.247 -37.342 1.00 50.32 ? 49 GLU B O 1 ATOM 4767 C CB . GLU B 2 49 ? -15.310 -45.435 -36.438 1.00 50.16 ? 49 GLU B CB 1 ATOM 4768 C CG . GLU B 2 49 ? -15.115 -44.968 -35.009 1.00 56.44 ? 49 GLU B CG 1 ATOM 4769 C CD . GLU B 2 49 ? -13.665 -44.618 -34.710 1.00 65.79 ? 49 GLU B CD 1 ATOM 4770 O OE1 . GLU B 2 49 ? -12.804 -44.727 -35.615 1.00 67.36 ? 49 GLU B OE1 1 ATOM 4771 O OE2 . GLU B 2 49 ? -13.384 -44.226 -33.564 1.00 71.14 ? 49 GLU B OE2 1 ATOM 4772 N N . VAL B 2 50 ? -18.549 -44.247 -35.902 1.00 45.05 ? 50 VAL B N 1 ATOM 4773 C CA . VAL B 2 50 ? -19.253 -43.008 -35.601 1.00 46.98 ? 50 VAL B CA 1 ATOM 4774 C C . VAL B 2 50 ? -18.844 -42.448 -34.223 1.00 49.14 ? 50 VAL B C 1 ATOM 4775 O O . VAL B 2 50 ? -18.841 -43.172 -33.237 1.00 37.06 ? 50 VAL B O 1 ATOM 4776 C CB . VAL B 2 50 ? -20.765 -43.231 -35.653 1.00 50.29 ? 50 VAL B CB 1 ATOM 4777 C CG1 . VAL B 2 50 ? -21.506 -41.913 -35.875 1.00 37.44 ? 50 VAL B CG1 1 ATOM 4778 C CG2 . VAL B 2 50 ? -21.074 -44.189 -36.744 1.00 34.07 ? 50 VAL B CG2 1 ATOM 4779 N N . LYS B 2 51 ? -18.482 -41.166 -34.181 1.00 49.97 ? 51 LYS B N 1 ATOM 4780 C CA . LYS B 2 51 ? -18.162 -40.459 -32.947 1.00 39.55 ? 51 LYS B CA 1 ATOM 4781 C C . LYS B 2 51 ? -19.189 -39.358 -32.718 1.00 69.77 ? 51 LYS B C 1 ATOM 4782 O O . LYS B 2 51 ? -19.230 -38.384 -33.462 1.00 62.78 ? 51 LYS B O 1 ATOM 4783 C CB . LYS B 2 51 ? -16.783 -39.805 -33.020 1.00 56.06 ? 51 LYS B CB 1 ATOM 4784 C CG . LYS B 2 51 ? -15.615 -40.733 -33.357 1.00 63.40 ? 51 LYS B CG 1 ATOM 4785 C CD . LYS B 2 51 ? -14.299 -39.935 -33.443 1.00 71.24 ? 51 LYS B CD 1 ATOM 4786 C CE . LYS B 2 51 ? -13.059 -40.830 -33.531 1.00 73.75 ? 51 LYS B CE 1 ATOM 4787 N NZ . LYS B 2 51 ? -11.780 -40.047 -33.494 1.00 76.39 ? 51 LYS B NZ 1 ATOM 4788 N N . CYS B 2 52 ? -20.006 -39.505 -31.678 1.00 74.11 ? 52 CYS B N 1 ATOM 4789 C CA . CYS B 2 52 ? -21.034 -38.514 -31.356 1.00 68.54 ? 52 CYS B CA 1 ATOM 4790 C C . CYS B 2 52 ? -20.558 -37.476 -30.335 1.00 61.77 ? 52 CYS B C 1 ATOM 4791 O O . CYS B 2 52 ? -19.675 -37.761 -29.518 1.00 61.55 ? 52 CYS B O 1 ATOM 4792 C CB . CYS B 2 52 ? -22.278 -39.205 -30.808 1.00 69.89 ? 52 CYS B CB 1 ATOM 4793 S SG . CYS B 2 52 ? -23.356 -39.977 -32.012 1.00 73.48 ? 52 CYS B SG 1 ATOM 4794 N N . CYS B 2 53 ? -21.160 -36.284 -30.384 1.00 54.76 ? 53 CYS B N 1 ATOM 4795 C CA . CYS B 2 53 ? -20.895 -35.225 -29.406 1.00 62.21 ? 53 CYS B CA 1 ATOM 4796 C C . CYS B 2 53 ? -22.104 -34.286 -29.213 1.00 69.35 ? 53 CYS B C 1 ATOM 4797 O O . CYS B 2 53 ? -23.021 -34.286 -30.031 1.00 73.61 ? 53 CYS B O 1 ATOM 4798 C CB . CYS B 2 53 ? -19.612 -34.454 -29.751 1.00 50.68 ? 53 CYS B CB 1 ATOM 4799 S SG . CYS B 2 53 ? -19.717 -33.317 -31.142 1.00 71.79 ? 53 CYS B SG 1 ATOM 4800 N N . THR B 2 54 ? -22.109 -33.512 -28.121 1.00 72.52 ? 54 THR B N 1 ATOM 4801 C CA . THR B 2 54 ? -23.269 -32.700 -27.734 1.00 79.62 ? 54 THR B CA 1 ATOM 4802 C C . THR B 2 54 ? -22.904 -31.250 -27.472 1.00 89.47 ? 54 THR B C 1 ATOM 4803 O O . THR B 2 54 ? -23.055 -30.376 -28.326 1.00 60.11 ? 54 THR B O 1 ATOM 4804 C CB . THR B 2 54 ? -23.952 -33.220 -26.420 1.00 86.90 ? 54 THR B CB 1 ATOM 4805 O OG1 . THR B 2 54 ? -23.083 -34.124 -25.708 1.00 83.45 ? 54 THR B OG1 1 ATOM 4806 C CG2 . THR B 2 54 ? -25.287 -33.891 -26.723 1.00 84.48 ? 54 THR B CG2 1 ATOM 4807 N N . SER B 2 55 ? -22.431 -31.023 -26.251 1.00 100.36 ? 55 SER B N 1 ATOM 4808 C CA . SER B 2 55 ? -22.095 -29.693 -25.740 1.00 102.06 ? 55 SER B CA 1 ATOM 4809 C C . SER B 2 55 ? -21.083 -28.857 -26.554 1.00 99.87 ? 55 SER B C 1 ATOM 4810 O O . SER B 2 55 ? -21.293 -27.655 -26.732 1.00 106.75 ? 55 SER B O 1 ATOM 4811 C CB . SER B 2 55 ? -21.655 -29.774 -24.260 1.00 93.30 ? 55 SER B CB 1 ATOM 4812 O OG . SER B 2 55 ? -22.726 -30.154 -23.403 1.00 83.29 ? 55 SER B OG 1 ATOM 4813 N N . PRO B 2 56 ? -19.995 -29.476 -27.049 1.00 84.06 ? 56 PRO B N 1 ATOM 4814 C CA . PRO B 2 56 ? -18.880 -28.602 -27.440 1.00 74.10 ? 56 PRO B CA 1 ATOM 4815 C C . PRO B 2 56 ? -19.136 -27.554 -28.520 1.00 74.71 ? 56 PRO B C 1 ATOM 4816 O O . PRO B 2 56 ? -18.511 -26.505 -28.400 1.00 61.53 ? 56 PRO B O 1 ATOM 4817 C CB . PRO B 2 56 ? -17.806 -29.585 -27.898 1.00 70.10 ? 56 PRO B CB 1 ATOM 4818 C CG . PRO B 2 56 ? -18.157 -30.880 -27.213 1.00 73.89 ? 56 PRO B CG 1 ATOM 4819 C CD . PRO B 2 56 ? -19.639 -30.904 -27.167 1.00 76.36 ? 56 PRO B CD 1 ATOM 4820 N N . ASP B 2 57 ? -20.008 -27.816 -29.502 1.00 79.45 ? 57 ASP B N 1 ATOM 4821 C CA . ASP B 2 57 ? -20.256 -26.917 -30.660 1.00 84.98 ? 57 ASP B CA 1 ATOM 4822 C C . ASP B 2 57 ? -19.094 -26.907 -31.676 1.00 92.25 ? 57 ASP B C 1 ATOM 4823 O O . ASP B 2 57 ? -17.977 -26.509 -31.341 1.00 99.80 ? 57 ASP B O 1 ATOM 4824 C CB . ASP B 2 57 ? -20.634 -25.489 -30.205 1.00 83.31 ? 57 ASP B CB 1 ATOM 4825 C CG . ASP B 2 57 ? -20.977 -24.547 -31.367 1.00 74.95 ? 57 ASP B CG 1 ATOM 4826 O OD1 . ASP B 2 57 ? -20.085 -24.249 -32.189 1.00 70.72 ? 57 ASP B OD1 1 ATOM 4827 O OD2 . ASP B 2 57 ? -22.129 -24.059 -31.427 1.00 72.84 ? 57 ASP B OD2 1 ATOM 4828 N N . LYS B 2 58 ? -19.383 -27.329 -32.912 1.00 84.78 ? 58 LYS B N 1 ATOM 4829 C CA . LYS B 2 58 ? -18.377 -27.569 -33.961 1.00 70.92 ? 58 LYS B CA 1 ATOM 4830 C C . LYS B 2 58 ? -17.498 -28.758 -33.553 1.00 62.32 ? 58 LYS B C 1 ATOM 4831 O O . LYS B 2 58 ? -16.327 -28.867 -33.908 1.00 57.41 ? 58 LYS B O 1 ATOM 4832 C CB . LYS B 2 58 ? -17.556 -26.307 -34.251 1.00 68.24 ? 58 LYS B CB 1 ATOM 4833 C CG . LYS B 2 58 ? -17.092 -26.164 -35.677 1.00 53.34 ? 58 LYS B CG 1 ATOM 4834 C CD . LYS B 2 58 ? -16.386 -24.837 -35.888 1.00 58.55 ? 58 LYS B CD 1 ATOM 4835 C CE . LYS B 2 58 ? -17.380 -23.678 -35.888 1.00 61.78 ? 58 LYS B CE 1 ATOM 4836 N NZ . LYS B 2 58 ? -16.896 -22.474 -35.132 1.00 62.94 ? 58 LYS B NZ 1 ATOM 4837 N N . CYS B 2 59 ? -18.115 -29.666 -32.815 1.00 60.29 ? 59 CYS B N 1 ATOM 4838 C CA . CYS B 2 59 ? -17.414 -30.737 -32.140 1.00 59.25 ? 59 CYS B CA 1 ATOM 4839 C C . CYS B 2 59 ? -17.250 -31.994 -32.972 1.00 53.74 ? 59 CYS B C 1 ATOM 4840 O O . CYS B 2 59 ? -16.543 -32.919 -32.570 1.00 52.10 ? 59 CYS B O 1 ATOM 4841 C CB . CYS B 2 59 ? -18.179 -31.102 -30.873 1.00 66.80 ? 59 CYS B CB 1 ATOM 4842 S SG . CYS B 2 59 ? -19.976 -31.298 -31.084 1.00 61.22 ? 59 CYS B SG 1 ATOM 4843 N N . ASN B 2 60 ? -17.928 -32.062 -34.108 1.00 48.65 ? 60 ASN B N 1 ATOM 4844 C CA . ASN B 2 60 ? -17.834 -33.272 -34.905 1.00 50.98 ? 60 ASN B CA 1 ATOM 4845 C C . ASN B 2 60 ? -16.708 -33.171 -35.926 1.00 57.77 ? 60 ASN B C 1 ATOM 4846 O O . ASN B 2 60 ? -16.569 -34.033 -36.798 1.00 56.68 ? 60 ASN B O 1 ATOM 4847 C CB . ASN B 2 60 ? -19.167 -33.620 -35.558 1.00 51.41 ? 60 ASN B CB 1 ATOM 4848 C CG . ASN B 2 60 ? -19.597 -32.601 -36.569 1.00 57.70 ? 60 ASN B CG 1 ATOM 4849 O OD1 . ASN B 2 60 ? -19.122 -31.466 -36.562 1.00 62.88 ? 60 ASN B OD1 1 ATOM 4850 N ND2 . ASN B 2 60 ? -20.508 -32.996 -37.452 1.00 56.31 ? 60 ASN B ND2 1 ATOM 4851 N N . TYR B 2 61 ? -15.907 -32.111 -35.789 1.00 58.59 ? 61 TYR B N 1 ATOM 4852 C CA . TYR B 2 61 ? -14.687 -31.921 -36.565 1.00 58.32 ? 61 TYR B CA 1 ATOM 4853 C C . TYR B 2 61 ? -13.781 -33.142 -36.415 1.00 62.17 ? 61 TYR B C 1 ATOM 4854 O O . TYR B 2 61 ? -13.252 -33.701 -37.385 1.00 64.16 ? 61 TYR B O 1 ATOM 4855 C CB . TYR B 2 61 ? -13.971 -30.661 -36.080 1.00 44.84 ? 61 TYR B CB 1 ATOM 4856 C CG . TYR B 2 61 ? -12.591 -30.381 -36.666 1.00 48.00 ? 61 TYR B CG 1 ATOM 4857 C CD1 . TYR B 2 61 ? -11.501 -31.203 -36.382 1.00 49.18 ? 61 TYR B CD1 1 ATOM 4858 C CD2 . TYR B 2 61 ? -12.364 -29.255 -37.454 1.00 47.17 ? 61 TYR B CD2 1 ATOM 4859 C CE1 . TYR B 2 61 ? -10.243 -30.943 -36.895 1.00 41.40 ? 61 TYR B CE1 1 ATOM 4860 C CE2 . TYR B 2 61 ? -11.097 -28.981 -37.969 1.00 48.33 ? 61 TYR B CE2 1 ATOM 4861 C CZ . TYR B 2 61 ? -10.042 -29.831 -37.680 1.00 48.26 ? 61 TYR B CZ 1 ATOM 4862 O OH . TYR B 2 61 ? -8.782 -29.575 -38.176 1.00 49.08 ? 61 TYR B OH 1 ATOM 4863 O OXT . TYR B 2 61 ? -13.542 -33.592 -35.300 1.00 65.23 ? 61 TYR B OXT 1 HETATM 4864 C C1 . NAG C 3 . ? -1.532 -34.678 -30.985 1.00 89.87 ? 601 NAG A C1 1 HETATM 4865 C C2 . NAG C 3 . ? -1.369 -35.104 -29.522 1.00 97.66 ? 601 NAG A C2 1 HETATM 4866 C C3 . NAG C 3 . ? -1.945 -36.490 -29.185 1.00 99.50 ? 601 NAG A C3 1 HETATM 4867 C C4 . NAG C 3 . ? -3.328 -36.800 -29.793 1.00 97.06 ? 601 NAG A C4 1 HETATM 4868 C C5 . NAG C 3 . ? -3.448 -36.276 -31.236 1.00 96.73 ? 601 NAG A C5 1 HETATM 4869 C C6 . NAG C 3 . ? -4.924 -36.297 -31.720 1.00 94.16 ? 601 NAG A C6 1 HETATM 4870 C C7 . NAG C 3 . ? 0.500 -34.359 -28.105 1.00 97.54 ? 601 NAG A C7 1 HETATM 4871 C C8 . NAG C 3 . ? 0.833 -35.148 -26.868 1.00 93.99 ? 601 NAG A C8 1 HETATM 4872 N N2 . NAG C 3 . ? 0.042 -35.057 -29.151 1.00 99.54 ? 601 NAG A N2 1 HETATM 4873 O O3 . NAG C 3 . ? -1.996 -36.602 -27.771 1.00 99.29 ? 601 NAG A O3 1 HETATM 4874 O O4 . NAG C 3 . ? -3.594 -38.214 -29.746 1.00 88.97 ? 601 NAG A O4 1 HETATM 4875 O O5 . NAG C 3 . ? -2.828 -35.009 -31.471 1.00 93.94 ? 601 NAG A O5 1 HETATM 4876 O O6 . NAG C 3 . ? -5.586 -35.062 -31.977 1.00 91.32 ? 601 NAG A O6 1 HETATM 4877 O O7 . NAG C 3 . ? 0.659 -33.135 -28.124 1.00 96.09 ? 601 NAG A O7 1 HETATM 4878 C C1 . NAG D 3 . ? -4.866 -38.615 -29.139 1.00 83.39 ? 602 NAG A C1 1 HETATM 4879 C C2 . NAG D 3 . ? -5.359 -39.949 -29.736 1.00 86.68 ? 602 NAG A C2 1 HETATM 4880 C C3 . NAG D 3 . ? -6.558 -40.583 -28.994 1.00 93.26 ? 602 NAG A C3 1 HETATM 4881 C C4 . NAG D 3 . ? -6.447 -40.476 -27.462 1.00 85.74 ? 602 NAG A C4 1 HETATM 4882 C C5 . NAG D 3 . ? -6.116 -39.015 -27.180 1.00 83.42 ? 602 NAG A C5 1 HETATM 4883 C C6 . NAG D 3 . ? -6.111 -38.681 -25.701 1.00 85.40 ? 602 NAG A C6 1 HETATM 4884 C C7 . NAG D 3 . ? -4.789 -39.916 -32.126 1.00 71.65 ? 602 NAG A C7 1 HETATM 4885 C C8 . NAG D 3 . ? -5.218 -39.425 -33.478 1.00 64.57 ? 602 NAG A C8 1 HETATM 4886 N N2 . NAG D 3 . ? -5.683 -39.772 -31.145 1.00 85.62 ? 602 NAG A N2 1 HETATM 4887 O O3 . NAG D 3 . ? -6.694 -41.932 -29.405 1.00 101.93 ? 602 NAG A O3 1 HETATM 4888 O O4 . NAG D 3 . ? -7.607 -40.900 -26.733 1.00 70.24 ? 602 NAG A O4 1 HETATM 4889 O O5 . NAG D 3 . ? -4.850 -38.696 -27.727 1.00 79.48 ? 602 NAG A O5 1 HETATM 4890 O O6 . NAG D 3 . ? -5.776 -37.315 -25.618 1.00 85.06 ? 602 NAG A O6 1 HETATM 4891 O O7 . NAG D 3 . ? -3.674 -40.410 -31.962 1.00 62.27 ? 602 NAG A O7 1 HETATM 4892 C C1 . FUL E 4 . ? -5.553 -34.149 -30.854 1.00 97.75 ? 603 FUL A C1 1 HETATM 4893 C C2 . FUL E 4 . ? -6.882 -34.078 -30.057 1.00 106.30 ? 603 FUL A C2 1 HETATM 4894 O O2 . FUL E 4 . ? -6.924 -34.946 -28.921 1.00 108.92 ? 603 FUL A O2 1 HETATM 4895 C C3 . FUL E 4 . ? -7.130 -32.615 -29.666 1.00 103.23 ? 603 FUL A C3 1 HETATM 4896 O O3 . FUL E 4 . ? -8.302 -32.459 -28.859 1.00 91.83 ? 603 FUL A O3 1 HETATM 4897 C C4 . FUL E 4 . ? -7.316 -31.838 -30.959 1.00 111.51 ? 603 FUL A C4 1 HETATM 4898 O O4 . FUL E 4 . ? -8.324 -32.459 -31.748 1.00 116.36 ? 603 FUL A O4 1 HETATM 4899 C C5 . FUL E 4 . ? -5.997 -31.855 -31.735 1.00 107.29 ? 603 FUL A C5 1 HETATM 4900 C C6 . FUL E 4 . ? -6.175 -32.117 -33.230 1.00 106.75 ? 603 FUL A C6 1 HETATM 4901 O O5 . FUL E 4 . ? -5.058 -32.859 -31.235 1.00 102.43 ? 603 FUL A O5 1 HETATM 4902 O O1 . HUW F 5 . ? -1.509 -40.007 -54.522 1.00 42.64 ? 701 HUW A O1 1 HETATM 4903 CL CL1 . HUW F 5 . ? 0.103 -32.137 -46.830 1.00 46.24 ? 701 HUW A CL1 1 HETATM 4904 C C1 . HUW F 5 . ? -0.950 -32.767 -48.035 1.00 56.33 ? 701 HUW A C1 1 HETATM 4905 N N1 . HUW F 5 . ? -0.718 -33.894 -51.449 1.00 42.59 ? 701 HUW A N1 1 HETATM 4906 C C3 . HUW F 5 . ? -1.259 -33.594 -50.258 1.00 51.34 ? 701 HUW A C3 1 HETATM 4907 C C4 . HUW F 5 . ? -1.489 -34.402 -52.489 1.00 40.88 ? 701 HUW A C4 1 HETATM 4908 N N2 . HUW F 5 . ? -4.722 -34.497 -50.943 1.00 49.61 ? 701 HUW A N2 1 HETATM 4909 C C14 . HUW F 5 . ? -3.385 -34.311 -51.149 1.00 48.58 ? 701 HUW A C14 1 HETATM 4910 C C2 . HUW F 5 . ? -0.421 -33.093 -49.274 1.00 58.81 ? 701 HUW A C2 1 HETATM 4911 C C17 . HUW F 5 . ? -2.307 -32.942 -47.784 1.00 54.81 ? 701 HUW A C17 1 HETATM 4912 C C15 . HUW F 5 . ? -2.623 -33.783 -50.039 1.00 51.79 ? 701 HUW A C15 1 HETATM 4913 C C5 . HUW F 5 . ? -0.705 -34.697 -53.759 1.00 34.41 ? 701 HUW A C5 1 HETATM 4914 C C13 . HUW F 5 . ? -2.816 -34.610 -52.359 1.00 40.94 ? 701 HUW A C13 1 HETATM 4915 C C6 . HUW F 5 . ? -1.465 -35.681 -54.658 1.00 33.51 ? 701 HUW A C6 1 HETATM 4916 C C7 . HUW F 5 . ? -1.523 -37.038 -53.973 1.00 26.47 ? 701 HUW A C7 1 HETATM 4917 C C12 . HUW F 5 . ? -2.875 -35.082 -54.845 1.00 38.80 ? 701 HUW A C12 1 HETATM 4918 C C8 . HUW F 5 . ? -2.596 -37.488 -53.326 1.00 20.62 ? 701 HUW A C8 1 HETATM 4919 C C9 . HUW F 5 . ? -3.879 -36.678 -53.208 1.00 28.47 ? 701 HUW A C9 1 HETATM 4920 C C18 . HUW F 5 . ? -2.601 -38.849 -52.667 1.00 21.57 ? 701 HUW A C18 1 HETATM 4921 C C11 . HUW F 5 . ? -3.640 -35.181 -53.509 1.00 33.08 ? 701 HUW A C11 1 HETATM 4922 C C10 . HUW F 5 . ? -1.378 -39.661 -53.138 1.00 33.72 ? 701 HUW A C10 1 HETATM 4923 C C16 . HUW F 5 . ? -3.149 -33.447 -48.779 1.00 55.39 ? 701 HUW A C16 1 HETATM 4924 CL CL . CL G 6 . ? -2.963 -62.786 -58.845 1.00 36.56 ? 802 CL A CL 1 HETATM 4925 CL CL . CL H 6 . ? 17.280 -59.403 -63.681 1.00 52.97 ? 803 CL A CL 1 HETATM 4926 CL CL . CL I 6 . ? 12.364 -51.602 -28.737 1.00 71.01 ? 804 CL A CL 1 HETATM 4927 CL CL . CL J 6 . ? 14.565 -34.947 -79.977 1.00 58.41 ? 805 CL A CL 1 HETATM 4928 CL CL . CL K 6 . ? 7.016 -19.246 -81.459 1.00 87.40 ? 806 CL A CL 1 HETATM 4929 CL CL . CL L 6 . ? -8.343 -15.662 -64.846 1.00 53.61 ? 807 CL A CL 1 HETATM 4930 CL CL . CL M 6 . ? 10.437 -51.507 -73.478 1.00 69.04 ? 808 CL A CL 1 HETATM 4931 CL CL . CL N 6 . ? -22.747 -26.402 -87.953 1.00 79.00 ? 809 CL A CL 1 HETATM 4932 CL CL . CL O 6 . ? 20.435 -43.733 -46.563 1.00 44.83 ? 810 CL A CL 1 HETATM 4933 CL CL . CL P 6 . ? 14.682 -54.900 -32.942 1.00 67.00 ? 811 CL A CL 1 HETATM 4934 S S . SO4 Q 7 . ? 28.269 -45.576 -63.525 1.00 82.55 ? 812 SO4 A S 1 HETATM 4935 O O1 . SO4 Q 7 . ? 27.957 -44.152 -63.680 1.00 81.61 ? 812 SO4 A O1 1 HETATM 4936 O O2 . SO4 Q 7 . ? 28.979 -46.056 -64.708 1.00 77.46 ? 812 SO4 A O2 1 HETATM 4937 O O3 . SO4 Q 7 . ? 29.139 -45.740 -62.362 1.00 96.31 ? 812 SO4 A O3 1 HETATM 4938 O O4 . SO4 Q 7 . ? 27.045 -46.362 -63.334 1.00 72.04 ? 812 SO4 A O4 1 HETATM 4939 O O . HOH R 8 . ? -6.198 -12.109 -78.251 1.00 52.10 ? 2001 HOH A O 1 HETATM 4940 O O . HOH R 8 . ? -9.652 -16.367 -84.675 1.00 32.96 ? 2002 HOH A O 1 HETATM 4941 O O . HOH R 8 . ? -3.694 -19.647 -80.060 1.00 22.74 ? 2003 HOH A O 1 HETATM 4942 O O . HOH R 8 . ? -17.700 -31.708 -87.759 1.00 12.68 ? 2004 HOH A O 1 HETATM 4943 O O . HOH R 8 . ? -17.086 -40.906 -63.684 1.00 46.64 ? 2005 HOH A O 1 HETATM 4944 O O . HOH R 8 . ? -6.925 -14.243 -67.506 1.00 17.78 ? 2006 HOH A O 1 HETATM 4945 O O . HOH R 8 . ? -11.225 -39.124 -79.829 1.00 14.93 ? 2007 HOH A O 1 HETATM 4946 O O . HOH R 8 . ? -17.566 -36.088 -73.795 1.00 35.84 ? 2008 HOH A O 1 HETATM 4947 O O . HOH R 8 . ? -17.979 -43.243 -65.333 1.00 27.55 ? 2009 HOH A O 1 HETATM 4948 O O . HOH R 8 . ? -23.878 -45.854 -64.879 1.00 44.88 ? 2010 HOH A O 1 HETATM 4949 O O . HOH R 8 . ? -25.987 -47.638 -75.668 1.00 35.47 ? 2011 HOH A O 1 HETATM 4950 O O . HOH R 8 . ? -17.001 -46.106 -65.812 1.00 22.19 ? 2012 HOH A O 1 HETATM 4951 O O . HOH R 8 . ? -13.334 -51.690 -65.895 1.00 28.45 ? 2013 HOH A O 1 HETATM 4952 O O . HOH R 8 . ? -23.758 -32.172 -82.748 1.00 20.15 ? 2014 HOH A O 1 HETATM 4953 O O . HOH R 8 . ? -13.616 -22.431 -65.978 1.00 47.92 ? 2015 HOH A O 1 HETATM 4954 O O . HOH R 8 . ? -12.046 -30.952 -64.587 1.00 45.96 ? 2016 HOH A O 1 HETATM 4955 O O . HOH R 8 . ? -21.252 -30.035 -69.558 1.00 44.30 ? 2017 HOH A O 1 HETATM 4956 O O . HOH R 8 . ? -11.203 -35.902 -62.769 1.00 21.87 ? 2018 HOH A O 1 HETATM 4957 O O . HOH R 8 . ? -11.754 -35.096 -53.541 1.00 49.38 ? 2019 HOH A O 1 HETATM 4958 O O . HOH R 8 . ? -13.224 -41.934 -55.536 1.00 22.85 ? 2020 HOH A O 1 HETATM 4959 O O . HOH R 8 . ? -10.703 -37.717 -44.971 1.00 29.77 ? 2021 HOH A O 1 HETATM 4960 O O . HOH R 8 . ? -10.459 -31.680 -46.251 1.00 54.83 ? 2022 HOH A O 1 HETATM 4961 O O . HOH R 8 . ? -7.106 -33.724 -48.514 1.00 28.80 ? 2023 HOH A O 1 HETATM 4962 O O . HOH R 8 . ? -6.914 -37.271 -50.290 1.00 19.60 ? 2024 HOH A O 1 HETATM 4963 O O . HOH R 8 . ? -6.662 -35.986 -36.109 1.00 27.49 ? 2025 HOH A O 1 HETATM 4964 O O . HOH R 8 . ? -13.758 -29.594 -46.193 1.00 26.78 ? 2026 HOH A O 1 HETATM 4965 O O . HOH R 8 . ? -6.676 -34.122 -55.933 1.00 23.57 ? 2027 HOH A O 1 HETATM 4966 O O . HOH R 8 . ? -14.237 -30.237 -53.554 1.00 31.50 ? 2028 HOH A O 1 HETATM 4967 O O . HOH R 8 . ? -17.678 -26.973 -56.451 1.00 23.08 ? 2029 HOH A O 1 HETATM 4968 O O . HOH R 8 . ? -24.486 -36.665 -60.911 1.00 27.10 ? 2030 HOH A O 1 HETATM 4969 O O . HOH R 8 . ? -23.330 -39.620 -62.833 1.00 7.93 ? 2031 HOH A O 1 HETATM 4970 O O . HOH R 8 . ? -17.642 -37.110 -70.931 1.00 21.37 ? 2032 HOH A O 1 HETATM 4971 O O . HOH R 8 . ? 7.156 -19.713 -84.097 1.00 44.28 ? 2033 HOH A O 1 HETATM 4972 O O . HOH R 8 . ? -4.454 -34.405 -65.987 1.00 18.29 ? 2034 HOH A O 1 HETATM 4973 O O . HOH R 8 . ? -1.402 -34.683 -58.747 1.00 29.27 ? 2035 HOH A O 1 HETATM 4974 O O . HOH R 8 . ? -5.181 -40.154 -59.366 1.00 18.42 ? 2036 HOH A O 1 HETATM 4975 O O . HOH R 8 . ? -4.923 -34.333 -58.395 1.00 16.00 ? 2037 HOH A O 1 HETATM 4976 O O . HOH R 8 . ? -7.741 -45.304 -55.894 1.00 29.05 ? 2038 HOH A O 1 HETATM 4977 O O . HOH R 8 . ? -4.479 -39.964 -48.231 1.00 3.68 ? 2039 HOH A O 1 HETATM 4978 O O . HOH R 8 . ? -6.946 -35.602 -53.286 1.00 33.82 ? 2040 HOH A O 1 HETATM 4979 O O . HOH R 8 . ? -4.238 -29.183 -65.834 1.00 16.27 ? 2041 HOH A O 1 HETATM 4980 O O . HOH R 8 . ? -4.196 -20.048 -61.344 1.00 32.73 ? 2042 HOH A O 1 HETATM 4981 O O . HOH R 8 . ? 1.614 -22.637 -66.150 1.00 50.18 ? 2043 HOH A O 1 HETATM 4982 O O . HOH R 8 . ? -8.183 -51.309 -62.203 1.00 14.33 ? 2044 HOH A O 1 HETATM 4983 O O . HOH R 8 . ? -8.166 -52.488 -59.101 1.00 27.81 ? 2045 HOH A O 1 HETATM 4984 O O . HOH R 8 . ? -11.295 -53.888 -58.147 1.00 35.05 ? 2046 HOH A O 1 HETATM 4985 O O . HOH R 8 . ? -19.359 -59.387 -68.632 1.00 44.24 ? 2047 HOH A O 1 HETATM 4986 O O . HOH R 8 . ? -7.212 -53.950 -68.957 1.00 28.74 ? 2048 HOH A O 1 HETATM 4987 O O . HOH R 8 . ? -5.566 -49.754 -76.442 1.00 44.48 ? 2049 HOH A O 1 HETATM 4988 O O . HOH R 8 . ? 0.269 -38.135 -77.841 1.00 30.03 ? 2050 HOH A O 1 HETATM 4989 O O . HOH R 8 . ? -9.091 -45.291 -82.261 1.00 21.03 ? 2051 HOH A O 1 HETATM 4990 O O . HOH R 8 . ? -2.575 -44.972 -81.577 1.00 48.87 ? 2052 HOH A O 1 HETATM 4991 O O . HOH R 8 . ? -8.622 -39.539 -81.052 1.00 16.27 ? 2053 HOH A O 1 HETATM 4992 O O . HOH R 8 . ? -1.300 -32.979 -84.534 1.00 43.82 ? 2054 HOH A O 1 HETATM 4993 O O . HOH R 8 . ? 4.847 -39.147 -83.910 1.00 43.70 ? 2055 HOH A O 1 HETATM 4994 O O . HOH R 8 . ? 16.593 -37.641 -50.008 1.00 14.23 ? 2056 HOH A O 1 HETATM 4995 O O . HOH R 8 . ? 11.846 -32.099 -79.505 1.00 26.98 ? 2057 HOH A O 1 HETATM 4996 O O . HOH R 8 . ? 5.063 -34.907 -54.842 1.00 12.52 ? 2058 HOH A O 1 HETATM 4997 O O . HOH R 8 . ? 2.807 -54.391 -71.005 1.00 26.19 ? 2059 HOH A O 1 HETATM 4998 O O . HOH R 8 . ? 1.264 -46.531 -80.082 1.00 29.70 ? 2060 HOH A O 1 HETATM 4999 O O . HOH R 8 . ? -3.706 -49.100 -53.181 1.00 13.45 ? 2061 HOH A O 1 HETATM 5000 O O . HOH R 8 . ? -2.282 -58.180 -54.937 1.00 14.18 ? 2062 HOH A O 1 HETATM 5001 O O . HOH R 8 . ? -3.716 -61.206 -56.226 1.00 24.31 ? 2063 HOH A O 1 HETATM 5002 O O . HOH R 8 . ? -3.991 -55.374 -50.376 1.00 41.75 ? 2064 HOH A O 1 HETATM 5003 O O . HOH R 8 . ? -8.253 -61.612 -52.338 1.00 15.41 ? 2065 HOH A O 1 HETATM 5004 O O . HOH R 8 . ? -4.041 -51.662 -52.560 1.00 16.37 ? 2066 HOH A O 1 HETATM 5005 O O . HOH R 8 . ? -18.371 -62.259 -68.014 1.00 31.47 ? 2067 HOH A O 1 HETATM 5006 O O . HOH R 8 . ? -31.095 -54.853 -63.082 1.00 32.55 ? 2068 HOH A O 1 HETATM 5007 O O . HOH R 8 . ? -25.349 -53.047 -67.934 1.00 18.58 ? 2069 HOH A O 1 HETATM 5008 O O . HOH R 8 . ? -27.812 -44.121 -62.368 1.00 20.90 ? 2070 HOH A O 1 HETATM 5009 O O . HOH R 8 . ? -26.642 -37.463 -49.793 1.00 60.01 ? 2071 HOH A O 1 HETATM 5010 O O . HOH R 8 . ? -15.825 -45.220 -48.658 1.00 24.39 ? 2072 HOH A O 1 HETATM 5011 O O . HOH R 8 . ? -10.232 -46.143 -55.412 1.00 33.84 ? 2073 HOH A O 1 HETATM 5012 O O . HOH R 8 . ? -9.716 -45.851 -52.272 1.00 24.84 ? 2074 HOH A O 1 HETATM 5013 O O . HOH R 8 . ? -4.997 -51.495 -46.337 1.00 40.91 ? 2075 HOH A O 1 HETATM 5014 O O . HOH R 8 . ? -0.086 -54.165 -49.268 1.00 14.54 ? 2076 HOH A O 1 HETATM 5015 O O . HOH R 8 . ? -1.191 -53.464 -41.415 1.00 40.83 ? 2077 HOH A O 1 HETATM 5016 O O . HOH R 8 . ? -3.834 -42.455 -47.001 1.00 8.67 ? 2078 HOH A O 1 HETATM 5017 O O . HOH R 8 . ? 17.681 -56.746 -68.486 1.00 24.78 ? 2079 HOH A O 1 HETATM 5018 O O . HOH R 8 . ? 11.451 -38.236 -49.216 1.00 26.95 ? 2080 HOH A O 1 HETATM 5019 O O . HOH R 8 . ? 4.362 -35.966 -47.312 1.00 26.78 ? 2081 HOH A O 1 HETATM 5020 O O . HOH R 8 . ? -3.156 -39.863 -36.692 1.00 35.03 ? 2082 HOH A O 1 HETATM 5021 O O . HOH R 8 . ? 2.704 -43.388 -34.951 1.00 25.68 ? 2083 HOH A O 1 HETATM 5022 O O . HOH R 8 . ? 5.522 -53.332 -34.689 1.00 15.05 ? 2084 HOH A O 1 HETATM 5023 O O . HOH R 8 . ? 5.164 -63.043 -37.897 1.00 31.22 ? 2085 HOH A O 1 HETATM 5024 O O . HOH R 8 . ? 22.002 -49.418 -41.067 0.50 22.20 ? 2086 HOH A O 1 HETATM 5025 O O . HOH R 8 . ? 15.280 -43.150 -33.270 1.00 42.00 ? 2087 HOH A O 1 HETATM 5026 O O . HOH R 8 . ? 16.712 -41.193 -26.203 1.00 18.67 ? 2088 HOH A O 1 HETATM 5027 O O . HOH R 8 . ? 21.594 -37.303 -36.060 1.00 26.74 ? 2089 HOH A O 1 HETATM 5028 O O . HOH R 8 . ? 11.598 -32.013 -40.764 1.00 16.71 ? 2090 HOH A O 1 HETATM 5029 O O . HOH R 8 . ? 11.519 -40.495 -47.220 1.00 23.86 ? 2091 HOH A O 1 HETATM 5030 O O . HOH R 8 . ? 23.171 -47.227 -65.423 1.00 30.66 ? 2092 HOH A O 1 HETATM 5031 O O . HOH R 8 . ? 23.914 -34.019 -69.212 1.00 23.95 ? 2093 HOH A O 1 HETATM 5032 O O . HOH R 8 . ? 20.545 -37.106 -62.136 1.00 21.36 ? 2094 HOH A O 1 HETATM 5033 O O . HOH R 8 . ? 15.622 -23.494 -49.861 1.00 32.71 ? 2095 HOH A O 1 HETATM 5034 O O . HOH R 8 . ? 1.354 -23.592 -51.051 1.00 42.54 ? 2096 HOH A O 1 HETATM 5035 O O . HOH R 8 . ? -1.282 -26.052 -39.613 1.00 26.26 ? 2097 HOH A O 1 HETATM 5036 O O . HOH R 8 . ? 10.534 -28.930 -41.545 1.00 52.84 ? 2098 HOH A O 1 HETATM 5037 O O . HOH R 8 . ? 1.913 -27.907 -55.109 1.00 50.57 ? 2099 HOH A O 1 HETATM 5038 O O . HOH R 8 . ? -0.840 -20.714 -52.645 1.00 18.85 ? 2100 HOH A O 1 HETATM 5039 O O . HOH R 8 . ? 9.989 -11.034 -51.461 1.00 21.57 ? 2101 HOH A O 1 HETATM 5040 O O . HOH R 8 . ? 16.418 -19.696 -57.617 1.00 32.74 ? 2102 HOH A O 1 HETATM 5041 O O . HOH R 8 . ? 18.923 -26.382 -56.434 1.00 50.65 ? 2103 HOH A O 1 HETATM 5042 O O . HOH R 8 . ? 17.809 -16.970 -69.971 1.00 38.83 ? 2104 HOH A O 1 HETATM 5043 O O . HOH R 8 . ? 16.333 -26.249 -74.362 1.00 39.12 ? 2105 HOH A O 1 HETATM 5044 O O . HOH R 8 . ? 18.739 -28.784 -72.956 1.00 20.54 ? 2106 HOH A O 1 HETATM 5045 O O . HOH R 8 . ? 22.199 -26.676 -65.703 1.00 35.59 ? 2107 HOH A O 1 HETATM 5046 O O . HOH R 8 . ? 25.096 -41.144 -61.719 1.00 34.48 ? 2108 HOH A O 1 HETATM 5047 O O . HOH R 8 . ? 19.198 -35.725 -49.939 1.00 34.05 ? 2109 HOH A O 1 HETATM 5048 O O . HOH R 8 . ? 16.177 -42.153 -40.716 1.00 31.94 ? 2110 HOH A O 1 HETATM 5049 O O . HOH R 8 . ? 20.120 -39.939 -46.673 1.00 39.11 ? 2111 HOH A O 1 HETATM 5050 O O . HOH R 8 . ? 25.932 -55.675 -55.699 1.00 8.42 ? 2112 HOH A O 1 HETATM 5051 O O . HOH R 8 . ? -5.748 -45.091 -29.880 1.00 28.53 ? 2113 HOH A O 1 HETATM 5052 O O . HOH S 8 . ? -20.072 -29.169 -51.967 1.00 24.51 ? 2001 HOH B O 1 HETATM 5053 O O . HOH S 8 . ? -15.240 -40.136 -36.507 1.00 32.09 ? 2002 HOH B O 1 HETATM 5054 O O . HOH S 8 . ? -8.904 -40.022 -38.821 1.00 23.70 ? 2003 HOH B O 1 HETATM 5055 O O . HOH S 8 . ? -12.130 -49.768 -41.259 1.00 36.77 ? 2004 HOH B O 1 HETATM 5056 O O . HOH S 8 . ? -7.437 -41.657 -34.380 1.00 33.91 ? 2005 HOH B O 1 HETATM 5057 O O . HOH S 8 . ? -9.100 -38.648 -34.755 1.00 39.83 ? 2006 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 . ASP A 5 ? 1.5881 1.1143 1.3735 0.1782 -0.0350 0.2500 5 ASP A N 2 C CA . ASP A 5 ? 1.5350 1.0827 1.3278 0.1685 -0.0305 0.2371 5 ASP A CA 3 C C . ASP A 5 ? 1.5771 1.1341 1.3622 0.1529 -0.0265 0.2438 5 ASP A C 4 O O . ASP A 5 ? 1.4877 1.0558 1.2791 0.1416 -0.0220 0.2352 5 ASP A O 5 C CB . ASP A 5 ? 1.4521 1.0290 1.2491 0.1808 -0.0328 0.2263 5 ASP A CB 6 C CG . ASP A 5 ? 1.4394 1.0372 1.2251 0.1864 -0.0360 0.2338 5 ASP A CG 7 O OD1 . ASP A 5 ? 1.3337 0.9502 1.1161 0.1774 -0.0331 0.2321 5 ASP A OD1 8 O OD2 . ASP A 5 ? 1.5098 1.1054 1.2895 0.2002 -0.0416 0.2412 5 ASP A OD2 9 N N . ALA A 6 ? 1.6966 1.2493 1.4676 0.1528 -0.0282 0.2592 6 ALA A N 10 C CA . ALA A 6 ? 1.6883 1.2509 1.4492 0.1398 -0.0243 0.2671 6 ALA A CA 11 C C . ALA A 6 ? 1.6564 1.2523 1.4159 0.1401 -0.0228 0.2584 6 ALA A C 12 O O . ALA A 6 ? 1.6733 1.2831 1.4199 0.1443 -0.0244 0.2654 6 ALA A O 13 C CB . ALA A 6 ? 1.6425 1.1884 1.4078 0.1211 -0.0188 0.2698 6 ALA A CB 14 N N . GLU A 7 ? 1.4922 1.1004 1.2645 0.1358 -0.0199 0.2436 7 GLU A N 15 C CA . GLU A 7 ? 1.2848 0.9231 1.0571 0.1366 -0.0186 0.2350 7 GLU A CA 16 C C . GLU A 7 ? 1.1437 0.7950 0.9310 0.1380 -0.0177 0.2179 7 GLU A C 17 O O . GLU A 7 ? 1.0765 0.7373 0.8693 0.1277 -0.0132 0.2107 7 GLU A O 18 C CB . GLU A 7 ? 1.2804 0.9275 1.0430 0.1237 -0.0136 0.2412 7 GLU A CB 19 C CG . GLU A 7 ? 1.1823 0.8275 0.9531 0.1071 -0.0071 0.2363 7 GLU A CG 20 C CD . GLU A 7 ? 1.0437 0.6618 0.8200 0.0978 -0.0057 0.2412 7 GLU A CD 21 O OE1 . GLU A 7 ? 0.9561 0.5589 0.7403 0.1044 -0.0089 0.2373 7 GLU A OE1 22 O OE2 . GLU A 7 ? 1.0029 0.6154 0.7758 0.0838 -0.0011 0.2485 7 GLU A OE2 23 N N . LEU A 8 ? 1.0810 0.7337 0.8747 0.1515 -0.0220 0.2118 8 LEU A N 24 C CA . LEU A 8 ? 0.9305 0.5981 0.7368 0.1543 -0.0214 0.1967 8 LEU A CA 25 C C . LEU A 8 ? 0.9136 0.6086 0.7178 0.1645 -0.0249 0.1933 8 LEU A C 26 O O . LEU A 8 ? 0.8597 0.5707 0.6735 0.1683 -0.0251 0.1819 8 LEU A O 27 C CB . LEU A 8 ? 0.9095 0.5625 0.7254 0.1621 -0.0230 0.1908 8 LEU A CB 28 C CG . LEU A 8 ? 0.9692 0.5936 0.7882 0.1534 -0.0204 0.1926 8 LEU A CG 29 C CD1 . LEU A 8 ? 1.0400 0.6519 0.8671 0.1639 -0.0223 0.1858 8 LEU A CD1 30 C CD2 . LEU A 8 ? 0.9252 0.5508 0.7496 0.1369 -0.0150 0.1868 8 LEU A CD2 31 N N . LEU A 9 ? 0.9548 0.6551 0.7460 0.1689 -0.0278 0.2036 9 LEU A N 32 C CA . LEU A 9 ? 0.7686 0.4953 0.5558 0.1782 -0.0321 0.2017 9 LEU A CA 33 C C . LEU A 9 ? 0.7803 0.5215 0.5595 0.1686 -0.0286 0.2023 9 LEU A C 34 O O . LEU A 9 ? 0.8648 0.5972 0.6324 0.1612 -0.0259 0.2125 9 LEU A O 35 C CB . LEU A 9 ? 0.7310 0.4555 0.5079 0.1908 -0.0385 0.2123 9 LEU A CB 36 C CG . LEU A 9 ? 0.8277 0.5461 0.6114 0.2056 -0.0439 0.2114 9 LEU A CG 37 C CD1 . LEU A 9 ? 0.8880 0.6295 0.6854 0.2134 -0.0459 0.1978 9 LEU A CD1 38 C CD2 . LEU A 9 ? 0.7907 0.4786 0.5793 0.2030 -0.0415 0.2137 9 LEU A CD2 39 N N . VAL A 10 ? 0.7889 0.5521 0.5746 0.1689 -0.0284 0.1916 10 VAL A N 40 C CA . VAL A 10 ? 0.6962 0.4736 0.4761 0.1607 -0.0248 0.1900 10 VAL A CA 41 C C . VAL A 10 ? 0.7015 0.5063 0.4822 0.1691 -0.0295 0.1827 10 VAL A C 42 O O . VAL A 10 ? 0.7257 0.5399 0.5179 0.1766 -0.0332 0.1745 10 VAL A O 43 C CB . VAL A 10 ? 0.6764 0.4483 0.4658 0.1473 -0.0179 0.1828 10 VAL A CB 44 C CG1 . VAL A 10 ? 0.6422 0.4322 0.4280 0.1415 -0.0148 0.1787 10 VAL A CG1 45 C CG2 . VAL A 10 ? 0.6292 0.3776 0.4163 0.1369 -0.0135 0.1906 10 VAL A CG2 46 N N . THR A 11 ? 0.6219 0.4401 0.3902 0.1677 -0.0296 0.1856 11 THR A N 47 C CA . THR A 11 ? 0.7039 0.5485 0.4717 0.1746 -0.0346 0.1784 11 THR A CA 48 C C . THR A 11 ? 0.6389 0.4942 0.4065 0.1658 -0.0300 0.1715 11 THR A C 49 O O . THR A 11 ? 0.6753 0.5293 0.4310 0.1591 -0.0254 0.1766 11 THR A O 50 C CB . THR A 11 ? 0.7776 0.6327 0.5300 0.1832 -0.0406 0.1860 11 THR A CB 51 O OG1 . THR A 11 ? 0.6566 0.5005 0.4096 0.1921 -0.0452 0.1928 11 THR A OG1 52 C CG2 . THR A 11 ? 0.6202 0.5043 0.3731 0.1902 -0.0473 0.1772 11 THR A CG2 53 N N . VAL A 12 ? 0.5983 0.4642 0.3791 0.1662 -0.0309 0.1602 12 VAL A N 54 C CA . VAL A 12 ? 0.5829 0.4592 0.3647 0.1595 -0.0276 0.1528 12 VAL A CA 55 C C . VAL A 12 ? 0.6011 0.5033 0.3794 0.1676 -0.0354 0.1465 12 VAL A C 56 O O . VAL A 12 ? 0.6000 0.5120 0.3783 0.1775 -0.0429 0.1475 12 VAL A O 57 C CB . VAL A 12 ? 0.6362 0.5056 0.4346 0.1538 -0.0240 0.1446 12 VAL A CB 58 C CG1 . VAL A 12 ? 0.6481 0.4933 0.4501 0.1454 -0.0176 0.1495 12 VAL A CG1 59 C CG2 . VAL A 12 ? 0.5031 0.3823 0.3146 0.1627 -0.0301 0.1379 12 VAL A CG2 60 N N . ARG A 13 ? 0.5173 0.4314 0.2931 0.1638 -0.0343 0.1397 13 ARG A N 61 C CA . ARG A 13 ? 0.6037 0.5430 0.3741 0.1704 -0.0426 0.1330 13 ARG A CA 62 C C . ARG A 13 ? 0.6350 0.5900 0.4178 0.1797 -0.0523 0.1271 13 ARG A C 63 O O . ARG A 13 ? 0.6869 0.6596 0.4638 0.1873 -0.0607 0.1264 13 ARG A O 64 C CB . ARG A 13 ? 0.6593 0.6072 0.4268 0.1650 -0.0406 0.1246 13 ARG A CB 65 C CG . ARG A 13 ? 0.8395 0.8122 0.5960 0.1702 -0.0489 0.1175 13 ARG A CG 66 C CD . ARG A 13 ? 1.0686 1.0449 0.8133 0.1646 -0.0443 0.1127 13 ARG A CD 67 N NE . ARG A 13 ? 1.2728 1.2727 1.0145 0.1669 -0.0531 0.0995 13 ARG A NE 68 C CZ . ARG A 13 ? 1.3725 1.3784 1.1162 0.1586 -0.0504 0.0869 13 ARG A CZ 69 N NH1 . ARG A 13 ? 1.4038 1.3958 1.1499 0.1502 -0.0396 0.0876 13 ARG A NH1 70 N NH2 . ARG A 13 ? 1.3570 1.3829 1.1007 0.1589 -0.0588 0.0730 13 ARG A NH2 71 N N . GLY A 14 ? 0.6181 0.5681 0.4184 0.1790 -0.0512 0.1229 14 GLY A N 72 C CA . GLY A 14 ? 0.5287 0.4961 0.3428 0.1874 -0.0594 0.1171 14 GLY A CA 73 C C . GLY A 14 ? 0.5514 0.5188 0.3657 0.1969 -0.0638 0.1236 14 GLY A C 74 O O . GLY A 14 ? 0.5121 0.5014 0.3325 0.2053 -0.0727 0.1197 14 GLY A O 75 N N . GLY A 15 ? 0.5744 0.5179 0.3830 0.1956 -0.0580 0.1332 15 GLY A N 76 C CA . GLY A 15 ? 0.5464 0.4860 0.3551 0.2051 -0.0619 0.1398 15 GLY A CA 77 C C . GLY A 15 ? 0.7617 0.6710 0.5667 0.2011 -0.0547 0.1486 15 GLY A C 78 O O . GLY A 15 ? 0.6689 0.5622 0.4703 0.1902 -0.0470 0.1502 15 GLY A O 79 N N . ARG A 16 ? 0.5798 0.4818 0.3865 0.2098 -0.0578 0.1540 16 ARG A N 80 C CA . ARG A 16 ? 0.7040 0.5767 0.5072 0.2064 -0.0524 0.1622 16 ARG A CA 81 C C . ARG A 16 ? 0.6760 0.5364 0.4946 0.2036 -0.0478 0.1558 16 ARG A C 82 O O . ARG A 16 ? 0.6141 0.4896 0.4465 0.2084 -0.0501 0.1469 16 ARG A O 83 C CB . ARG A 16 ? 0.7491 0.6167 0.5452 0.2175 -0.0580 0.1716 16 ARG A CB 84 C CG . ARG A 16 ? 0.7383 0.6287 0.5246 0.2256 -0.0660 0.1739 16 ARG A CG 85 C CD . ARG A 16 ? 0.8099 0.6898 0.5839 0.2337 -0.0701 0.1865 16 ARG A CD 86 N NE . ARG A 16 ? 0.9148 0.7945 0.6991 0.2465 -0.0752 0.1865 16 ARG A NE 87 C CZ . ARG A 16 ? 0.9533 0.8587 0.7449 0.2581 -0.0837 0.1817 16 ARG A CZ 88 N NH1 . ARG A 16 ? 0.9602 0.8933 0.7500 0.2578 -0.0886 0.1758 16 ARG A NH1 89 N NH2 . ARG A 16 ? 0.9148 0.8193 0.7162 0.2700 -0.0877 0.1821 16 ARG A NH2 90 N N . LEU A 17 ? 0.6470 0.4814 0.4635 0.1953 -0.0415 0.1601 17 LEU A N 91 C CA . LEU A 17 ? 0.7062 0.5275 0.5355 0.1918 -0.0371 0.1538 17 LEU A CA 92 C C . LEU A 17 ? 0.7727 0.5679 0.5991 0.1934 -0.0362 0.1610 17 LEU A C 93 O O . LEU A 17 ? 0.7508 0.5333 0.5651 0.1908 -0.0360 0.1714 17 LEU A O 94 C CB . LEU A 17 ? 0.5566 0.3721 0.3881 0.1772 -0.0301 0.1491 17 LEU A CB 95 C CG . LEU A 17 ? 0.7295 0.5638 0.5600 0.1720 -0.0294 0.1442 17 LEU A CG 96 C CD1 . LEU A 17 ? 0.6254 0.4485 0.4545 0.1574 -0.0221 0.1436 17 LEU A CD1 97 C CD2 . LEU A 17 ? 0.5126 0.3660 0.3560 0.1772 -0.0321 0.1340 17 LEU A CD2 98 N N . ARG A 18 ? 0.8322 0.6193 0.6695 0.1977 -0.0355 0.1555 18 ARG A N 99 C CA . ARG A 18 ? 0.8411 0.6011 0.6770 0.1984 -0.0343 0.1606 18 ARG A CA 100 C C . ARG A 18 ? 0.8497 0.5955 0.6937 0.1886 -0.0283 0.1532 18 ARG A C 101 O O . ARG A 18 ? 0.8913 0.6465 0.7460 0.1907 -0.0271 0.1430 18 ARG A O 102 C CB . ARG A 18 ? 0.9019 0.6634 0.7420 0.2148 -0.0396 0.1611 18 ARG A CB 103 C CG . ARG A 18 ? 0.9707 0.7061 0.8143 0.2174 -0.0379 0.1613 18 ARG A CG 104 C CD . ARG A 18 ? 1.1145 0.8555 0.9635 0.2353 -0.0430 0.1605 18 ARG A CD 105 N NE . ARG A 18 ? 1.2777 1.0516 1.1334 0.2434 -0.0469 0.1548 18 ARG A NE 106 C CZ . ARG A 18 ? 1.3059 1.0959 1.1753 0.2507 -0.0469 0.1446 18 ARG A CZ 107 N NH1 . ARG A 18 ? 1.3209 1.0968 1.1974 0.2520 -0.0429 0.1385 18 ARG A NH1 108 N NH2 . ARG A 18 ? 1.2254 1.0467 1.1014 0.2568 -0.0510 0.1405 18 ARG A NH2 109 N N . GLY A 19 ? 0.7616 0.4855 0.6003 0.1777 -0.0248 0.1586 19 GLY A N 110 C CA . GLY A 19 ? 0.6931 0.4047 0.5387 0.1671 -0.0198 0.1518 19 GLY A CA 111 C C . GLY A 19 ? 0.7280 0.4146 0.5762 0.1694 -0.0196 0.1521 19 GLY A C 112 O O . GLY A 19 ? 0.7548 0.4347 0.6017 0.1818 -0.0233 0.1557 19 GLY A O 113 N N . ILE A 20 ? 0.7297 0.4024 0.5814 0.1578 -0.0154 0.1481 20 ILE A N 114 C CA . ILE A 20 ? 0.7882 0.4366 0.6428 0.1589 -0.0149 0.1462 20 ILE A CA 115 C C . ILE A 20 ? 0.8084 0.4386 0.6614 0.1432 -0.0118 0.1498 20 ILE A C 116 O O . ILE A 20 ? 0.8527 0.4926 0.7067 0.1313 -0.0089 0.1481 20 ILE A O 117 C CB . ILE A 20 ? 0.6946 0.3489 0.5586 0.1640 -0.0134 0.1326 20 ILE A CB 118 C CG1 . ILE A 20 ? 0.8220 0.4506 0.6882 0.1634 -0.0122 0.1289 20 ILE A CG1 119 C CG2 . ILE A 20 ? 0.6055 0.2769 0.4740 0.1541 -0.0100 0.1248 20 ILE A CG2 120 C CD1 . ILE A 20 ? 0.8185 0.4523 0.6919 0.1687 -0.0102 0.1154 20 ILE A CD1 121 N N . ARG A 21 ? 0.7513 0.3553 0.6024 0.1430 -0.0126 0.1553 21 ARG A N 122 C CA . ARG A 21 ? 0.7771 0.3637 0.6284 0.1279 -0.0098 0.1584 21 ARG A CA 123 C C . ARG A 21 ? 0.8178 0.3965 0.6774 0.1238 -0.0075 0.1459 21 ARG A C 124 O O . ARG A 21 ? 0.9439 0.5165 0.8064 0.1343 -0.0085 0.1385 21 ARG A O 125 C CB . ARG A 21 ? 0.8613 0.4222 0.7069 0.1283 -0.0117 0.1709 21 ARG A CB 126 C CG . ARG A 21 ? 1.0403 0.5915 0.8834 0.1117 -0.0091 0.1797 21 ARG A CG 127 C CD . ARG A 21 ? 1.2630 0.7858 1.1015 0.1115 -0.0108 0.1921 21 ARG A CD 128 N NE . ARG A 21 ? 1.4864 0.9844 1.3318 0.1094 -0.0102 0.1863 21 ARG A NE 129 C CZ . ARG A 21 ? 1.6141 1.0830 1.4579 0.1085 -0.0114 0.1948 21 ARG A CZ 130 N NH1 . ARG A 21 ? 1.6082 1.0695 1.4432 0.1096 -0.0131 0.2106 21 ARG A NH1 131 N NH2 . ARG A 21 ? 1.6537 1.1003 1.5038 0.1067 -0.0107 0.1875 21 ARG A NH2 132 N N . LEU A 22 ? 0.7848 0.3642 0.6476 0.1090 -0.0045 0.1433 22 LEU A N 133 C CA . LEU A 22 ? 0.6722 0.2451 0.5415 0.1044 -0.0026 0.1314 22 LEU A CA 134 C C . LEU A 22 ? 0.9196 0.4686 0.7903 0.0923 -0.0015 0.1347 22 LEU A C 135 O O . LEU A 22 ? 0.9247 0.4740 0.7944 0.0808 -0.0003 0.1434 22 LEU A O 136 C CB . LEU A 22 ? 0.6349 0.2308 0.5082 0.0977 -0.0002 0.1236 22 LEU A CB 137 C CG . LEU A 22 ? 0.7809 0.4014 0.6542 0.1079 -0.0009 0.1197 22 LEU A CG 138 C CD1 . LEU A 22 ? 0.5789 0.2174 0.4570 0.1014 0.0015 0.1108 22 LEU A CD1 139 C CD2 . LEU A 22 ? 0.6245 0.2406 0.4983 0.1234 -0.0028 0.1152 22 LEU A CD2 140 N N . LYS A 23 ? 0.9099 0.4387 0.7831 0.0950 -0.0018 0.1275 23 LYS A N 141 C CA . LYS A 23 ? 0.8807 0.3848 0.7561 0.0836 -0.0009 0.1291 23 LYS A CA 142 C C . LYS A 23 ? 0.8952 0.4077 0.7758 0.0698 0.0016 0.1214 23 LYS A C 143 O O . LYS A 23 ? 0.7565 0.2846 0.6388 0.0724 0.0024 0.1105 23 LYS A O 144 C CB . LYS A 23 ? 0.8507 0.3288 0.7260 0.0921 -0.0022 0.1229 23 LYS A CB 145 C CG . LYS A 23 ? 0.9758 0.4416 0.8466 0.1062 -0.0050 0.1308 23 LYS A CG 146 C CD . LYS A 23 ? 1.1183 0.5589 0.9874 0.0994 -0.0057 0.1442 23 LYS A CD 147 C CE . LYS A 23 ? 1.1867 0.6098 1.0514 0.1144 -0.0089 0.1508 23 LYS A CE 148 N NZ . LYS A 23 ? 1.2578 0.6512 1.1211 0.1076 -0.0094 0.1632 23 LYS A NZ 149 N N . THR A 24 ? 0.9283 0.4312 0.8116 0.0552 0.0030 0.1278 24 THR A N 150 C CA . THR A 24 ? 0.9616 0.4667 0.8505 0.0419 0.0049 0.1203 24 THR A CA 151 C C . THR A 24 ? 1.0818 0.5592 0.9738 0.0315 0.0053 0.1241 24 THR A C 152 O O . THR A 24 ? 1.1273 0.5884 1.0170 0.0328 0.0046 0.1352 24 THR A O 153 C CB . THR A 24 ? 0.9588 0.4889 0.8500 0.0320 0.0070 0.1246 24 THR A CB 154 O OG1 . THR A 24 ? 1.0494 0.5743 0.9406 0.0226 0.0083 0.1386 24 THR A OG1 155 C CG2 . THR A 24 ? 0.9236 0.4795 0.8114 0.0418 0.0066 0.1236 24 THR A CG2 156 N N . PRO A 25 ? 1.1052 0.5762 1.0021 0.0209 0.0063 0.1149 25 PRO A N 157 C CA . PRO A 25 ? 1.0733 0.5170 0.9740 0.0103 0.0067 0.1176 25 PRO A CA 158 C C . PRO A 25 ? 1.0308 0.4747 0.9343 -0.0010 0.0088 0.1341 25 PRO A C 159 O O . PRO A 25 ? 1.0190 0.4385 0.9237 -0.0051 0.0090 0.1417 25 PRO A O 160 C CB . PRO A 25 ? 1.1135 0.5578 1.0185 -0.0002 0.0073 0.1045 25 PRO A CB 161 C CG . PRO A 25 ? 1.1503 0.6256 1.0551 0.0012 0.0079 0.1004 25 PRO A CG 162 C CD . PRO A 25 ? 1.1651 0.6520 1.0640 0.0178 0.0068 0.1022 25 PRO A CD 163 N N . GLY A 26 ? 1.0552 0.5257 0.9594 -0.0055 0.0106 0.1398 26 GLY A N 164 C CA . GLY A 26 ? 1.0979 0.5719 1.0039 -0.0166 0.0133 0.1553 26 GLY A CA 165 C C . GLY A 26 ? 1.1251 0.5951 1.0231 -0.0087 0.0123 0.1696 26 GLY A C 166 O O . GLY A 26 ? 1.2037 0.6587 1.1021 -0.0159 0.0136 0.1826 26 GLY A O 167 N N . GLY A 27 ? 1.0202 0.5038 0.9110 0.0060 0.0100 0.1676 27 GLY A N 168 C CA . GLY A 27 ? 0.9243 0.4065 0.8059 0.0149 0.0084 0.1800 27 GLY A CA 169 C C . GLY A 27 ? 0.9179 0.4162 0.7941 0.0313 0.0058 0.1728 27 GLY A C 170 O O . GLY A 27 ? 0.9602 0.4607 0.8396 0.0374 0.0049 0.1590 27 GLY A O 171 N N . PRO A 28 ? 0.9041 0.4142 0.7718 0.0383 0.0048 0.1820 28 PRO A N 172 C CA . PRO A 28 ? 0.8809 0.4073 0.7448 0.0535 0.0026 0.1750 28 PRO A CA 173 C C . PRO A 28 ? 0.8262 0.3827 0.6879 0.0517 0.0042 0.1739 28 PRO A C 174 O O . PRO A 28 ? 0.8240 0.3888 0.6854 0.0397 0.0072 0.1796 28 PRO A O 175 C CB . PRO A 28 ? 0.8790 0.3939 0.7342 0.0644 -0.0004 0.1861 28 PRO A CB 176 C CG . PRO A 28 ? 0.9795 0.4787 0.8317 0.0524 0.0010 0.2016 28 PRO A CG 177 C CD . PRO A 28 ? 0.9330 0.4372 0.7929 0.0351 0.0050 0.1991 28 PRO A CD 178 N N . VAL A 29 ? 0.7817 0.3542 0.6421 0.0640 0.0026 0.1664 29 VAL A N 179 C CA . VAL A 29 ? 0.7469 0.3469 0.6059 0.0641 0.0039 0.1635 29 VAL A CA 180 C C . VAL A 29 ? 0.7544 0.3652 0.6076 0.0796 0.0010 0.1638 29 VAL A C 181 O O . VAL A 29 ? 0.6640 0.2654 0.5179 0.0909 -0.0017 0.1609 29 VAL A O 182 C CB . VAL A 29 ? 0.7278 0.3394 0.5956 0.0596 0.0056 0.1499 29 VAL A CB 183 C CG1 . VAL A 29 ? 0.7861 0.4238 0.6532 0.0648 0.0060 0.1446 29 VAL A CG1 184 C CG2 . VAL A 29 ? 0.6514 0.2600 0.5238 0.0436 0.0086 0.1513 29 VAL A CG2 185 N N . SER A 30 ? 0.7034 0.3336 0.5507 0.0805 0.0016 0.1677 30 SER A N 186 C CA . SER A 30 ? 0.7550 0.3987 0.5979 0.0946 -0.0014 0.1671 30 SER A CA 187 C C . SER A 30 ? 0.7610 0.4270 0.6100 0.0965 -0.0004 0.1552 30 SER A C 188 O O . SER A 30 ? 0.7217 0.4015 0.5708 0.0886 0.0024 0.1539 30 SER A O 189 C CB . SER A 30 ? 0.7826 0.4326 0.6134 0.0960 -0.0019 0.1792 30 SER A CB 190 O OG . SER A 30 ? 0.7416 0.3706 0.5657 0.0959 -0.0033 0.1914 30 SER A OG 191 N N . ALA A 31 ? 0.5917 0.2607 0.4457 0.1069 -0.0025 0.1469 31 ALA A N 192 C CA . ALA A 31 ? 0.7536 0.4427 0.6136 0.1089 -0.0017 0.1365 31 ALA A CA 193 C C . ALA A 31 ? 0.7381 0.4432 0.5962 0.1225 -0.0050 0.1360 31 ALA A C 194 O O . ALA A 31 ? 0.5772 0.2758 0.4333 0.1335 -0.0082 0.1391 31 ALA A O 195 C CB . ALA A 31 ? 0.8041 0.4868 0.6725 0.1080 -0.0006 0.1258 31 ALA A CB 196 N N . PHE A 32 ? 0.6417 0.3677 0.5011 0.1218 -0.0043 0.1321 32 PHE A N 197 C CA . PHE A 32 ? 0.6445 0.3888 0.5040 0.1336 -0.0077 0.1303 32 PHE A CA 198 C C . PHE A 32 ? 0.6268 0.3850 0.4956 0.1330 -0.0062 0.1194 32 PHE A C 199 O O . PHE A 32 ? 0.6768 0.4452 0.5464 0.1257 -0.0041 0.1170 32 PHE A O 200 C CB . PHE A 32 ? 0.5268 0.2835 0.3772 0.1336 -0.0089 0.1372 32 PHE A CB 201 C CG . PHE A 32 ? 0.6779 0.4211 0.5176 0.1329 -0.0096 0.1491 32 PHE A CG 202 C CD1 . PHE A 32 ? 0.6688 0.4003 0.5045 0.1204 -0.0057 0.1545 32 PHE A CD1 203 C CD2 . PHE A 32 ? 0.6913 0.4339 0.5250 0.1447 -0.0144 0.1555 32 PHE A CD2 204 C CE1 . PHE A 32 ? 0.6501 0.3687 0.4755 0.1191 -0.0061 0.1666 32 PHE A CE1 205 C CE2 . PHE A 32 ? 0.6939 0.4230 0.5167 0.1439 -0.0151 0.1676 32 PHE A CE2 206 C CZ . PHE A 32 ? 0.6720 0.3887 0.4905 0.1308 -0.0108 0.1734 32 PHE A CZ 207 N N . LEU A 33 ? 0.4993 0.2573 0.3749 0.1408 -0.0070 0.1132 33 LEU A N 208 C CA . LEU A 33 ? 0.6652 0.4346 0.5492 0.1394 -0.0049 0.1036 33 LEU A CA 209 C C . LEU A 33 ? 0.6088 0.3989 0.4981 0.1509 -0.0077 0.1002 33 LEU A C 210 O O . LEU A 33 ? 0.5506 0.3434 0.4402 0.1628 -0.0112 0.1023 33 LEU A O 211 C CB . LEU A 33 ? 0.4792 0.2345 0.3676 0.1373 -0.0023 0.0974 33 LEU A CB 212 C CG . LEU A 33 ? 0.5944 0.3258 0.4784 0.1336 -0.0020 0.1016 33 LEU A CG 213 C CD1 . LEU A 33 ? 0.5167 0.2372 0.4035 0.1421 -0.0020 0.0964 33 LEU A CD1 214 C CD2 . LEU A 33 ? 0.5652 0.2886 0.4491 0.1186 0.0010 0.1008 33 LEU A CD2 215 N N . GLY A 34 ? 0.6078 0.4130 0.5020 0.1474 -0.0065 0.0952 34 GLY A N 216 C CA . GLY A 34 ? 0.6518 0.4786 0.5531 0.1568 -0.0091 0.0915 34 GLY A CA 217 C C . GLY A 34 ? 0.6042 0.4470 0.5018 0.1614 -0.0140 0.0961 34 GLY A C 218 O O . GLY A 34 ? 0.5252 0.3842 0.4274 0.1727 -0.0185 0.0957 34 GLY A O 219 N N . ILE A 35 ? 0.4325 0.2725 0.3221 0.1531 -0.0134 0.1000 35 ILE A N 220 C CA . ILE A 35 ? 0.4349 0.2892 0.3181 0.1570 -0.0180 0.1040 35 ILE A CA 221 C C . ILE A 35 ? 0.6123 0.4866 0.5025 0.1574 -0.0196 0.0979 35 ILE A C 222 O O . ILE A 35 ? 0.6278 0.4988 0.5193 0.1483 -0.0158 0.0947 35 ILE A O 223 C CB . ILE A 35 ? 0.6457 0.4900 0.5169 0.1479 -0.0156 0.1101 35 ILE A CB 224 C CG1 . ILE A 35 ? 0.6551 0.4782 0.5205 0.1455 -0.0136 0.1167 35 ILE A CG1 225 C CG2 . ILE A 35 ? 0.4455 0.3051 0.3078 0.1527 -0.0203 0.1138 35 ILE A CG2 226 C CD1 . ILE A 35 ? 0.4664 0.2805 0.3224 0.1355 -0.0103 0.1226 35 ILE A CD1 227 N N . PRO A 36 ? 0.4144 0.3102 0.3101 0.1679 -0.0259 0.0962 36 PRO A N 228 C CA . PRO A 36 ? 0.3959 0.3114 0.3005 0.1681 -0.0281 0.0900 36 PRO A CA 229 C C . PRO A 36 ? 0.3916 0.3102 0.2866 0.1621 -0.0295 0.0908 36 PRO A C 230 O O . PRO A 36 ? 0.4048 0.3252 0.2883 0.1648 -0.0329 0.0957 36 PRO A O 231 C CB . PRO A 36 ? 0.5588 0.4995 0.4721 0.1806 -0.0358 0.0883 36 PRO A CB 232 C CG . PRO A 36 ? 0.4215 0.3564 0.3242 0.1862 -0.0389 0.0952 36 PRO A CG 233 C CD . PRO A 36 ? 0.5831 0.4879 0.4773 0.1795 -0.0319 0.0999 36 PRO A CD 234 N N . PHE A 37 ? 0.3737 0.2947 0.2759 0.1492 -0.0258 0.0833 37 PHE A N 235 C CA . PHE A 37 ? 0.4526 0.3762 0.3478 0.1406 -0.0258 0.0814 37 PHE A CA 236 C C . PHE A 37 ? 0.4642 0.4084 0.3718 0.1328 -0.0287 0.0702 37 PHE A C 237 O O . PHE A 37 ? 0.3510 0.2972 0.2541 0.1257 -0.0287 0.0665 37 PHE A O 238 C CB . PHE A 37 ? 0.3681 0.2695 0.2560 0.1321 -0.0183 0.0848 37 PHE A CB 239 C CG . PHE A 37 ? 0.4561 0.3524 0.3558 0.1232 -0.0134 0.0787 37 PHE A CG 240 C CD1 . PHE A 37 ? 0.4387 0.3213 0.3416 0.1253 -0.0098 0.0806 37 PHE A CD1 241 C CD2 . PHE A 37 ? 0.3953 0.2990 0.3013 0.1132 -0.0125 0.0711 37 PHE A CD2 242 C CE1 . PHE A 37 ? 0.4849 0.3634 0.3966 0.1175 -0.0054 0.0753 37 PHE A CE1 243 C CE2 . PHE A 37 ? 0.4349 0.3331 0.3501 0.1056 -0.0082 0.0668 37 PHE A CE2 244 C CZ . PHE A 37 ? 0.5030 0.3895 0.4207 0.1076 -0.0047 0.0691 37 PHE A CZ 245 N N . ALA A 38 ? 0.4275 0.3866 0.3507 0.1342 -0.0309 0.0647 38 ALA A N 246 C CA . ALA A 38 ? 0.3853 0.3642 0.3218 0.1264 -0.0341 0.0546 38 ALA A CA 247 C C . ALA A 38 ? 0.4640 0.4649 0.4149 0.1328 -0.0389 0.0518 38 ALA A C 248 O O . ALA A 38 ? 0.3395 0.3375 0.2925 0.1420 -0.0374 0.0564 38 ALA A O 249 C CB . ALA A 38 ? 0.3206 0.2907 0.2652 0.1147 -0.0278 0.0500 38 ALA A CB 250 N N . GLU A 39 ? 0.5551 0.5784 0.5165 0.1280 -0.0446 0.0436 39 GLU A N 251 C CA . GLU A 39 ? 0.5682 0.6166 0.5477 0.1312 -0.0487 0.0394 39 GLU A CA 252 C C . GLU A 39 ? 0.5657 0.6113 0.5592 0.1250 -0.0409 0.0374 39 GLU A C 253 O O . GLU A 39 ? 0.5089 0.5453 0.5047 0.1126 -0.0363 0.0338 39 GLU A O 254 C CB . GLU A 39 ? 0.4870 0.5593 0.4750 0.1248 -0.0567 0.0303 39 GLU A CB 255 C CG . GLU A 39 ? 0.4982 0.5800 0.4735 0.1331 -0.0658 0.0315 39 GLU A CG 256 C CD . GLU A 39 ? 0.5525 0.6462 0.5282 0.1492 -0.0705 0.0380 39 GLU A CD 257 O OE1 . GLU A 39 ? 0.5266 0.6424 0.5212 0.1516 -0.0729 0.0346 39 GLU A OE1 258 O OE2 . GLU A 39 ? 0.6486 0.7298 0.6060 0.1596 -0.0717 0.0468 39 GLU A OE2 259 N N . PRO A 40 ? 0.4878 0.5408 0.4896 0.1344 -0.0393 0.0400 40 PRO A N 260 C CA . PRO A 40 ? 0.4623 0.5154 0.4762 0.1310 -0.0317 0.0384 40 PRO A CA 261 C C . PRO A 40 ? 0.4219 0.4878 0.4506 0.1158 -0.0301 0.0312 40 PRO A C 262 O O . PRO A 40 ? 0.5650 0.6565 0.6071 0.1131 -0.0360 0.0259 40 PRO A O 263 C CB . PRO A 40 ? 0.3145 0.3874 0.3391 0.1448 -0.0339 0.0394 40 PRO A CB 264 C CG . PRO A 40 ? 0.3717 0.4540 0.3893 0.1555 -0.0438 0.0421 40 PRO A CG 265 C CD . PRO A 40 ? 0.3786 0.4390 0.3764 0.1508 -0.0447 0.0452 40 PRO A CD 266 N N . PRO A 41 ? 0.3960 0.4439 0.4222 0.1058 -0.0227 0.0312 41 PRO A N 267 C CA . PRO A 41 ? 0.4403 0.4929 0.4769 0.0905 -0.0206 0.0259 41 PRO A CA 268 C C . PRO A 41 ? 0.4233 0.4947 0.4783 0.0869 -0.0160 0.0238 41 PRO A C 269 O O . PRO A 41 ? 0.5109 0.5725 0.5668 0.0804 -0.0084 0.0249 41 PRO A O 270 C CB . PRO A 41 ? 0.2778 0.3013 0.3011 0.0844 -0.0149 0.0286 41 PRO A CB 271 C CG . PRO A 41 ? 0.2834 0.2897 0.2931 0.0954 -0.0122 0.0349 41 PRO A CG 272 C CD . PRO A 41 ? 0.2911 0.3116 0.3035 0.1090 -0.0162 0.0367 41 PRO A CD 273 N N . MET A 42 ? 0.3756 0.4759 0.4454 0.0911 -0.0208 0.0209 42 MET A N 274 C CA . MET A 42 ? 0.4181 0.5419 0.5071 0.0896 -0.0165 0.0191 42 MET A CA 275 C C . MET A 42 ? 0.4813 0.6317 0.5893 0.0781 -0.0215 0.0128 42 MET A C 276 O O . MET A 42 ? 0.6058 0.7555 0.7106 0.0730 -0.0291 0.0091 42 MET A O 277 C CB . MET A 42 ? 0.2798 0.4176 0.3721 0.1071 -0.0176 0.0213 42 MET A CB 278 C CG . MET A 42 ? 0.4260 0.5358 0.4983 0.1192 -0.0152 0.0271 42 MET A CG 279 S SD . MET A 42 ? 0.8487 0.9724 0.9260 0.1402 -0.0155 0.0293 42 MET A SD 280 C CE . MET A 42 ? 0.2976 0.4599 0.3920 0.1435 -0.0268 0.0255 42 MET A CE 281 N N . GLY A 43 ? 0.4208 0.5954 0.5485 0.0740 -0.0171 0.0113 43 GLY A N 282 C CA . GLY A 43 ? 0.3839 0.5854 0.5324 0.0612 -0.0211 0.0054 43 GLY A CA 283 C C . GLY A 43 ? 0.4327 0.6174 0.5764 0.0451 -0.0238 0.0020 43 GLY A C 284 O O . GLY A 43 ? 0.4696 0.6313 0.6061 0.0361 -0.0170 0.0045 43 GLY A O 285 N N . PRO A 44 ? 0.4074 0.6022 0.5536 0.0426 -0.0345 -0.0040 44 PRO A N 286 C CA . PRO A 44 ? 0.3905 0.5714 0.5338 0.0276 -0.0382 -0.0093 44 PRO A CA 287 C C . PRO A 44 ? 0.4190 0.5634 0.5379 0.0304 -0.0362 -0.0062 44 PRO A C 288 O O . PRO A 44 ? 0.4460 0.5730 0.5603 0.0194 -0.0368 -0.0095 44 PRO A O 289 C CB . PRO A 44 ? 0.3717 0.5740 0.5201 0.0292 -0.0510 -0.0169 44 PRO A CB 290 C CG . PRO A 44 ? 0.3435 0.5764 0.5029 0.0431 -0.0536 -0.0150 44 PRO A CG 291 C CD . PRO A 44 ? 0.3572 0.5745 0.5060 0.0553 -0.0443 -0.0062 44 PRO A CD 292 N N . ARG A 45 ? 0.4813 0.6146 0.5857 0.0451 -0.0338 -0.0001 45 ARG A N 293 C CA . ARG A 45 ? 0.5208 0.6241 0.6027 0.0493 -0.0332 0.0028 45 ARG A CA 294 C C . ARG A 45 ? 0.5850 0.6641 0.6589 0.0471 -0.0232 0.0087 45 ARG A C 295 O O . ARG A 45 ? 0.6262 0.6807 0.6839 0.0480 -0.0219 0.0109 45 ARG A O 296 C CB . ARG A 45 ? 0.5604 0.6648 0.6298 0.0658 -0.0377 0.0063 45 ARG A CB 297 C CG . ARG A 45 ? 0.5375 0.6587 0.6069 0.0682 -0.0489 0.0007 45 ARG A CG 298 C CD . ARG A 45 ? 0.5521 0.6760 0.6095 0.0851 -0.0533 0.0057 45 ARG A CD 299 N NE . ARG A 45 ? 0.6907 0.8207 0.7393 0.0863 -0.0631 0.0012 45 ARG A NE 300 C CZ . ARG A 45 ? 0.7575 0.9153 0.8176 0.0851 -0.0726 -0.0057 45 ARG A CZ 301 N NH1 . ARG A 45 ? 0.7341 0.9177 0.8170 0.0822 -0.0732 -0.0084 45 ARG A NH1 302 N NH2 . ARG A 45 ? 0.7793 0.9406 0.8281 0.0866 -0.0815 -0.0103 45 ARG A NH2 303 N N . ARG A 46 ? 0.5645 0.6525 0.6500 0.0443 -0.0163 0.0110 46 ARG A N 304 C CA . ARG A 46 ? 0.4501 0.5181 0.5291 0.0407 -0.0070 0.0159 46 ARG A CA 305 C C . ARG A 46 ? 0.3985 0.4469 0.4730 0.0277 -0.0068 0.0144 46 ARG A C 306 O O . ARG A 46 ? 0.4437 0.4999 0.5283 0.0172 -0.0108 0.0092 46 ARG A O 307 C CB . ARG A 46 ? 0.4300 0.5157 0.5235 0.0383 0.0001 0.0176 46 ARG A CB 308 C CG . ARG A 46 ? 0.4745 0.5420 0.5590 0.0376 0.0097 0.0230 46 ARG A CG 309 C CD . ARG A 46 ? 0.4567 0.5424 0.5557 0.0313 0.0175 0.0242 46 ARG A CD 310 N NE . ARG A 46 ? 0.4033 0.5032 0.5050 0.0439 0.0220 0.0254 46 ARG A NE 311 C CZ . ARG A 46 ? 0.3857 0.5075 0.5009 0.0418 0.0290 0.0259 46 ARG A CZ 312 N NH1 . ARG A 46 ? 0.3775 0.5094 0.5050 0.0264 0.0324 0.0262 46 ARG A NH1 313 N NH2 . ARG A 46 ? 0.3484 0.4818 0.4649 0.0552 0.0329 0.0260 46 ARG A NH2 314 N N . PHE A 47 ? 0.2877 0.3105 0.3473 0.0289 -0.0025 0.0186 47 PHE A N 315 C CA . PHE A 47 ? 0.2982 0.3002 0.3520 0.0193 -0.0019 0.0181 47 PHE A CA 316 C C . PHE A 47 ? 0.3907 0.3853 0.4374 0.0197 -0.0092 0.0130 47 PHE A C 317 O O . PHE A 47 ? 0.4702 0.4457 0.5098 0.0149 -0.0089 0.0123 47 PHE A O 318 C CB . PHE A 47 ? 0.3099 0.3163 0.3770 0.0052 0.0009 0.0173 47 PHE A CB 319 C CG . PHE A 47 ? 0.3971 0.4140 0.4717 0.0037 0.0090 0.0223 47 PHE A CG 320 C CD1 . PHE A 47 ? 0.3878 0.3926 0.4511 0.0098 0.0153 0.0280 47 PHE A CD1 321 C CD2 . PHE A 47 ? 0.4920 0.5322 0.5850 -0.0043 0.0103 0.0207 47 PHE A CD2 322 C CE1 . PHE A 47 ? 0.3767 0.3919 0.4454 0.0090 0.0230 0.0317 47 PHE A CE1 323 C CE2 . PHE A 47 ? 0.4419 0.4940 0.5416 -0.0055 0.0187 0.0252 47 PHE A CE2 324 C CZ . PHE A 47 ? 0.3773 0.4166 0.4640 0.0017 0.0251 0.0305 47 PHE A CZ 325 N N . LEU A 48 ? 0.4350 0.4453 0.4831 0.0260 -0.0157 0.0093 48 LEU A N 326 C CA . LEU A 48 ? 0.2776 0.2841 0.3175 0.0273 -0.0228 0.0038 48 LEU A CA 327 C C . LEU A 48 ? 0.4197 0.4132 0.4419 0.0383 -0.0223 0.0080 48 LEU A C 328 O O . LEU A 48 ? 0.3924 0.3877 0.4109 0.0472 -0.0198 0.0138 48 LEU A O 329 C CB . LEU A 48 ? 0.2818 0.3134 0.3309 0.0285 -0.0310 -0.0023 48 LEU A CB 330 C CG . LEU A 48 ? 0.2854 0.3330 0.3527 0.0161 -0.0344 -0.0091 48 LEU A CG 331 C CD1 . LEU A 48 ? 0.2896 0.3635 0.3640 0.0198 -0.0434 -0.0148 48 LEU A CD1 332 C CD2 . LEU A 48 ? 0.4094 0.4388 0.4743 0.0051 -0.0356 -0.0146 48 LEU A CD2 333 N N . PRO A 49 ? 0.4110 0.3918 0.4223 0.0377 -0.0247 0.0049 49 PRO A N 334 C CA . PRO A 49 ? 0.5316 0.5021 0.5265 0.0468 -0.0241 0.0089 49 PRO A CA 335 C C . PRO A 49 ? 0.5916 0.5765 0.5830 0.0572 -0.0280 0.0113 49 PRO A C 336 O O . PRO A 49 ? 0.6347 0.6394 0.6347 0.0575 -0.0339 0.0071 49 PRO A O 337 C CB . PRO A 49 ? 0.2901 0.2542 0.2780 0.0439 -0.0278 0.0020 49 PRO A CB 338 C CG . PRO A 49 ? 0.2910 0.2510 0.2896 0.0330 -0.0277 -0.0033 49 PRO A CG 339 C CD . PRO A 49 ? 0.2917 0.2681 0.3060 0.0286 -0.0282 -0.0031 49 PRO A CD 340 N N . PRO A 50 ? 0.4389 0.4137 0.4178 0.0656 -0.0251 0.0186 50 PRO A N 341 C CA . PRO A 50 ? 0.3759 0.3602 0.3497 0.0765 -0.0283 0.0229 50 PRO A CA 342 C C . PRO A 50 ? 0.3917 0.3865 0.3576 0.0801 -0.0358 0.0190 50 PRO A C 343 O O . PRO A 50 ? 0.3521 0.3387 0.3084 0.0773 -0.0360 0.0161 50 PRO A O 344 C CB . PRO A 50 ? 0.3427 0.3078 0.3039 0.0817 -0.0227 0.0314 50 PRO A CB 345 C CG . PRO A 50 ? 0.3970 0.3470 0.3532 0.0746 -0.0190 0.0298 50 PRO A CG 346 C CD . PRO A 50 ? 0.3179 0.2716 0.2868 0.0649 -0.0192 0.0231 50 PRO A CD 347 N N . GLU A 51 ? 0.4229 0.4369 0.3929 0.0866 -0.0420 0.0186 51 GLU A N 348 C CA . GLU A 51 ? 0.4638 0.4893 0.4238 0.0924 -0.0497 0.0166 51 GLU A CA 349 C C . GLU A 51 ? 0.5222 0.5412 0.4676 0.1049 -0.0489 0.0272 51 GLU A C 350 O O . GLU A 51 ? 0.3268 0.3431 0.2765 0.1107 -0.0460 0.0336 51 GLU A O 351 C CB . GLU A 51 ? 0.5002 0.5526 0.4742 0.0922 -0.0582 0.0098 51 GLU A CB 352 C CG . GLU A 51 ? 0.5738 0.6326 0.5609 0.0788 -0.0605 -0.0014 51 GLU A CG 353 C CD . GLU A 51 ? 0.7139 0.8006 0.7197 0.0764 -0.0675 -0.0074 51 GLU A CD 354 O OE1 . GLU A 51 ? 0.7292 0.8351 0.7329 0.0850 -0.0757 -0.0078 51 GLU A OE1 355 O OE2 . GLU A 51 ? 0.7274 0.8178 0.7504 0.0658 -0.0649 -0.0112 51 GLU A OE2 356 N N . PRO A 52 ? 0.4756 0.4915 0.4033 0.1092 -0.0512 0.0292 52 PRO A N 357 C CA . PRO A 52 ? 0.4743 0.4797 0.3867 0.1195 -0.0492 0.0410 52 PRO A CA 358 C C . PRO A 52 ? 0.4584 0.4784 0.3731 0.1310 -0.0555 0.0453 52 PRO A C 359 O O . PRO A 52 ? 0.3613 0.4041 0.2840 0.1321 -0.0637 0.0387 52 PRO A O 360 C CB . PRO A 52 ? 0.3624 0.3650 0.2560 0.1200 -0.0501 0.0412 52 PRO A CB 361 C CG . PRO A 52 ? 0.3552 0.3603 0.2544 0.1095 -0.0503 0.0293 52 PRO A CG 362 C CD . PRO A 52 ? 0.4388 0.4588 0.3584 0.1048 -0.0549 0.0212 52 PRO A CD 363 N N . LYS A 53 ? 0.4024 0.4090 0.3111 0.1393 -0.0519 0.0560 53 LYS A N 364 C CA . LYS A 53 ? 0.4237 0.4402 0.3352 0.1520 -0.0569 0.0612 53 LYS A CA 365 C C . LYS A 53 ? 0.5567 0.5881 0.4558 0.1604 -0.0660 0.0630 53 LYS A C 366 O O . LYS A 53 ? 0.6485 0.6696 0.5279 0.1617 -0.0651 0.0685 53 LYS A O 367 C CB . LYS A 53 ? 0.5017 0.4943 0.4057 0.1590 -0.0506 0.0724 53 LYS A CB 368 C CG . LYS A 53 ? 0.3956 0.3936 0.3009 0.1742 -0.0551 0.0788 53 LYS A CG 369 C CD . LYS A 53 ? 0.3851 0.4079 0.3123 0.1756 -0.0589 0.0706 53 LYS A CD 370 C CE . LYS A 53 ? 0.4166 0.4436 0.3474 0.1917 -0.0619 0.0764 53 LYS A CE 371 N NZ . LYS A 53 ? 0.4499 0.5025 0.4046 0.1924 -0.0636 0.0682 53 LYS A NZ 372 N N . GLN A 54 ? 0.5740 0.6315 0.4846 0.1656 -0.0748 0.0581 54 GLN A N 373 C CA . GLN A 54 ? 0.5967 0.6715 0.4963 0.1748 -0.0850 0.0595 54 GLN A CA 374 C C . GLN A 54 ? 0.5678 0.6288 0.4523 0.1895 -0.0847 0.0743 54 GLN A C 375 O O . GLN A 54 ? 0.4271 0.4731 0.3169 0.1938 -0.0791 0.0803 54 GLN A O 376 C CB . GLN A 54 ? 0.7330 0.8409 0.6519 0.1767 -0.0948 0.0505 54 GLN A CB 377 C CG . GLN A 54 ? 0.8419 0.9616 0.7789 0.1608 -0.0945 0.0363 54 GLN A CG 378 C CD . GLN A 54 ? 0.8802 1.0344 0.8379 0.1610 -0.1042 0.0275 54 GLN A CD 379 O OE1 . GLN A 54 ? 0.9847 1.1581 0.9405 0.1732 -0.1134 0.0303 54 GLN A OE1 380 N NE2 . GLN A 54 ? 0.7584 0.9211 0.7362 0.1472 -0.1023 0.0172 54 GLN A NE2 381 N N . PRO A 55 ? 0.5719 0.6363 0.4362 0.1973 -0.0906 0.0803 55 PRO A N 382 C CA . PRO A 55 ? 0.5574 0.6034 0.4082 0.2050 -0.0874 0.0936 55 PRO A CA 383 C C . PRO A 55 ? 0.5541 0.6127 0.4168 0.2152 -0.0929 0.0950 55 PRO A C 384 O O . PRO A 55 ? 0.4731 0.5612 0.3496 0.2187 -0.1019 0.0869 55 PRO A O 385 C CB . PRO A 55 ? 0.4879 0.5355 0.3164 0.2045 -0.0899 0.0966 55 PRO A CB 386 C CG . PRO A 55 ? 0.5531 0.6115 0.3789 0.1975 -0.0922 0.0865 55 PRO A CG 387 C CD . PRO A 55 ? 0.5636 0.6415 0.4165 0.1925 -0.0960 0.0735 55 PRO A CD 388 N N . TRP A 56 ? 0.5473 0.5844 0.4057 0.2194 -0.0877 0.1047 56 TRP A N 389 C CA . TRP A 56 ? 0.5017 0.5456 0.3729 0.2294 -0.0908 0.1059 56 TRP A CA 390 C C . TRP A 56 ? 0.7045 0.7417 0.5627 0.2380 -0.0941 0.1158 56 TRP A C 391 O O . TRP A 56 ? 0.7053 0.7206 0.5452 0.2351 -0.0897 0.1247 56 TRP A O 392 C CB . TRP A 56 ? 0.5724 0.5967 0.4550 0.2279 -0.0820 0.1062 56 TRP A CB 393 C CG . TRP A 56 ? 0.5879 0.5757 0.4569 0.2217 -0.0723 0.1145 56 TRP A CG 394 C CD1 . TRP A 56 ? 0.6261 0.5932 0.4875 0.2261 -0.0702 0.1234 56 TRP A CD1 395 C CD2 . TRP A 56 ? 0.4878 0.4573 0.3514 0.2096 -0.0641 0.1141 56 TRP A CD2 396 N NE1 . TRP A 56 ? 0.6047 0.5433 0.4571 0.2166 -0.0615 0.1281 56 TRP A NE1 397 C CE2 . TRP A 56 ? 0.6200 0.5601 0.4738 0.2064 -0.0575 0.1225 56 TRP A CE2 398 C CE3 . TRP A 56 ? 0.5463 0.5216 0.4128 0.2013 -0.0621 0.1074 56 TRP A CE3 399 C CZ2 . TRP A 56 ? 0.4961 0.4154 0.3443 0.1946 -0.0491 0.1240 56 TRP A CZ2 400 C CZ3 . TRP A 56 ? 0.5340 0.4866 0.3935 0.1906 -0.0534 0.1095 56 TRP A CZ3 401 C CH2 . TRP A 56 ? 0.4746 0.4009 0.3257 0.1871 -0.0470 0.1175 56 TRP A CH2 402 N N . SER A 57 ? 0.6822 0.7398 0.5509 0.2485 -0.1019 0.1143 57 SER A N 403 C CA . SER A 57 ? 0.7105 0.7593 0.5706 0.2585 -0.1045 0.1240 57 SER A CA 404 C C . SER A 57 ? 0.7855 0.8071 0.6506 0.2603 -0.0965 0.1285 57 SER A C 405 O O . SER A 57 ? 0.8660 0.8877 0.7465 0.2576 -0.0918 0.1218 57 SER A O 406 C CB . SER A 57 ? 0.7514 0.8325 0.6230 0.2696 -0.1158 0.1202 57 SER A CB 407 O OG . SER A 57 ? 0.7521 0.8557 0.6480 0.2697 -0.1171 0.1095 57 SER A OG 408 N N . GLY A 58 ? 0.7657 0.7638 0.6173 0.2643 -0.0949 0.1395 58 GLY A N 409 C CA . GLY A 58 ? 0.6810 0.6535 0.5367 0.2673 -0.0890 0.1434 58 GLY A CA 410 C C . GLY A 58 ? 0.6619 0.6016 0.5086 0.2554 -0.0790 0.1474 58 GLY A C 411 O O . GLY A 58 ? 0.6751 0.6117 0.5126 0.2446 -0.0756 0.1475 58 GLY A O 412 N N . VAL A 59 ? 0.6839 0.5998 0.5337 0.2576 -0.0745 0.1503 59 VAL A N 413 C CA . VAL A 59 ? 0.7519 0.6381 0.5970 0.2458 -0.0654 0.1524 59 VAL A CA 414 C C . VAL A 59 ? 0.7216 0.6060 0.5822 0.2415 -0.0597 0.1422 59 VAL A C 415 O O . VAL A 59 ? 0.7289 0.6113 0.6000 0.2496 -0.0596 0.1390 59 VAL A O 416 C CB . VAL A 59 ? 0.7896 0.6461 0.6247 0.2486 -0.0642 0.1633 59 VAL A CB 417 C CG1 . VAL A 59 ? 0.8606 0.7191 0.7034 0.2645 -0.0693 0.1641 59 VAL A CG1 418 C CG2 . VAL A 59 ? 0.7595 0.5880 0.5945 0.2365 -0.0556 0.1631 59 VAL A CG2 419 N N . VAL A 60 ? 0.6672 0.5529 0.5286 0.2293 -0.0548 0.1372 60 VAL A N 420 C CA . VAL A 60 ? 0.6746 0.5591 0.5489 0.2240 -0.0493 0.1279 60 VAL A CA 421 C C . VAL A 60 ? 0.7291 0.5838 0.6030 0.2201 -0.0430 0.1291 60 VAL A C 422 O O . VAL A 60 ? 0.7691 0.6015 0.6319 0.2130 -0.0403 0.1362 60 VAL A O 423 C CB . VAL A 60 ? 0.5172 0.4102 0.3916 0.2122 -0.0463 0.1230 60 VAL A CB 424 C CG1 . VAL A 60 ? 0.5154 0.3863 0.3900 0.2003 -0.0380 0.1209 60 VAL A CG1 425 C CG2 . VAL A 60 ? 0.4961 0.4182 0.3849 0.2162 -0.0498 0.1139 60 VAL A CG2 426 N N . ASP A 61 ? 0.6915 0.5470 0.5777 0.2248 -0.0410 0.1220 61 ASP A N 427 C CA . ASP A 61 ? 0.5585 0.3878 0.4450 0.2226 -0.0361 0.1214 61 ASP A CA 428 C C . ASP A 61 ? 0.6783 0.4962 0.5640 0.2073 -0.0294 0.1175 61 ASP A C 429 O O . ASP A 61 ? 0.7772 0.6054 0.6720 0.2044 -0.0266 0.1092 61 ASP A O 430 C CB . ASP A 61 ? 0.9491 0.7862 0.8485 0.2340 -0.0361 0.1142 61 ASP A CB 431 C CG . ASP A 61 ? 0.9793 0.7887 0.8776 0.2341 -0.0319 0.1131 61 ASP A CG 432 O OD1 . ASP A 61 ? 0.9665 0.7533 0.8575 0.2222 -0.0281 0.1154 61 ASP A OD1 433 O OD2 . ASP A 61 ? 0.9997 0.8110 0.9053 0.2462 -0.0327 0.1096 61 ASP A OD2 434 N N . ALA A 62 ? 0.5760 0.3732 0.4515 0.1973 -0.0270 0.1238 62 ALA A N 435 C CA . ALA A 62 ? 0.5522 0.3403 0.4275 0.1824 -0.0213 0.1204 62 ALA A CA 436 C C . ALA A 62 ? 0.5881 0.3500 0.4632 0.1778 -0.0178 0.1200 62 ALA A C 437 O O . ALA A 62 ? 0.5700 0.3185 0.4415 0.1652 -0.0144 0.1216 62 ALA A O 438 C CB . ALA A 62 ? 0.6012 0.3902 0.4669 0.1730 -0.0208 0.1266 62 ALA A CB 439 N N . THR A 63 ? 0.6126 0.3685 0.4921 0.1885 -0.0190 0.1175 63 THR A N 440 C CA . THR A 63 ? 0.7311 0.4615 0.6102 0.1864 -0.0165 0.1162 63 THR A CA 441 C C . THR A 63 ? 0.8081 0.5382 0.6945 0.1822 -0.0121 0.1052 63 THR A C 442 O O . THR A 63 ? 0.8280 0.5380 0.7141 0.1800 -0.0100 0.1023 63 THR A O 443 C CB . THR A 63 ? 0.8125 0.5344 0.6919 0.2014 -0.0200 0.1187 63 THR A CB 444 O OG1 . THR A 63 ? 0.8127 0.5543 0.7014 0.2135 -0.0209 0.1112 63 THR A OG1 445 C CG2 . THR A 63 ? 0.9083 0.6301 0.7796 0.2066 -0.0248 0.1302 63 THR A CG2 446 N N . THR A 64 ? 0.7820 0.5338 0.6744 0.1813 -0.0109 0.0991 64 THR A N 447 C CA . THR A 64 ? 0.6743 0.4273 0.5730 0.1800 -0.0069 0.0891 64 THR A CA 448 C C . THR A 64 ? 0.5733 0.3460 0.4767 0.1737 -0.0048 0.0845 64 THR A C 449 O O . THR A 64 ? 0.6265 0.4190 0.5323 0.1771 -0.0074 0.0865 64 THR A O 450 C CB . THR A 64 ? 0.6803 0.4388 0.5850 0.1954 -0.0076 0.0844 64 THR A CB 451 O OG1 . THR A 64 ? 0.7978 0.5585 0.7074 0.1942 -0.0031 0.0747 64 THR A OG1 452 C CG2 . THR A 64 ? 0.5890 0.3742 0.4994 0.2063 -0.0116 0.0862 64 THR A CG2 453 N N . PHE A 65 ? 0.5850 0.3516 0.4895 0.1649 -0.0006 0.0784 65 PHE A N 454 C CA . PHE A 65 ? 0.6031 0.3845 0.5118 0.1580 0.0019 0.0740 65 PHE A CA 455 C C . PHE A 65 ? 0.6621 0.4673 0.5795 0.1683 0.0016 0.0703 65 PHE A C 456 O O . PHE A 65 ? 0.6732 0.4815 0.5953 0.1782 0.0029 0.0656 65 PHE A O 457 C CB . PHE A 65 ? 0.5764 0.3465 0.4846 0.1499 0.0062 0.0675 65 PHE A CB 458 C CG . PHE A 65 ? 0.6168 0.3696 0.5194 0.1367 0.0067 0.0701 65 PHE A CG 459 C CD1 . PHE A 65 ? 0.4391 0.1980 0.3413 0.1256 0.0071 0.0727 65 PHE A CD1 460 C CD2 . PHE A 65 ? 0.6892 0.4205 0.5881 0.1355 0.0069 0.0695 65 PHE A CD2 461 C CE1 . PHE A 65 ? 0.5710 0.3171 0.4700 0.1138 0.0077 0.0750 65 PHE A CE1 462 C CE2 . PHE A 65 ? 0.7426 0.4599 0.6383 0.1232 0.0072 0.0720 65 PHE A CE2 463 C CZ . PHE A 65 ? 0.6547 0.3805 0.5508 0.1124 0.0077 0.0748 65 PHE A CZ 464 N N . GLN A 66 ? 0.6706 0.4934 0.5909 0.1659 0.0001 0.0720 66 GLN A N 465 C CA . GLN A 66 ? 0.6374 0.4852 0.5681 0.1742 -0.0004 0.0686 66 GLN A CA 466 C C . GLN A 66 ? 0.5473 0.3993 0.4836 0.1709 0.0051 0.0619 66 GLN A C 467 O O . GLN A 66 ? 0.5557 0.3921 0.4864 0.1605 0.0086 0.0601 66 GLN A O 468 C CB . GLN A 66 ? 0.4060 0.2710 0.3380 0.1734 -0.0048 0.0725 66 GLN A CB 469 C CG . GLN A 66 ? 0.4346 0.3149 0.3696 0.1859 -0.0109 0.0756 66 GLN A CG 470 C CD . GLN A 66 ? 0.6061 0.5079 0.5550 0.1979 -0.0111 0.0705 66 GLN A CD 471 O OE1 . GLN A 66 ? 0.7348 0.6566 0.6946 0.1978 -0.0096 0.0662 66 GLN A OE1 472 N NE2 . GLN A 66 ? 0.6086 0.5076 0.5583 0.2085 -0.0125 0.0709 66 GLN A NE2 473 N N . SER A 67 ? 0.4930 0.3678 0.4407 0.1798 0.0059 0.0585 67 SER A N 474 C CA . SER A 67 ? 0.5625 0.4428 0.5159 0.1791 0.0121 0.0526 67 SER A CA 475 C C . SER A 67 ? 0.5374 0.4130 0.4879 0.1660 0.0148 0.0530 67 SER A C 476 O O . SER A 67 ? 0.4379 0.3190 0.3885 0.1582 0.0113 0.0561 67 SER A O 477 C CB . SER A 67 ? 0.5433 0.4546 0.5126 0.1910 0.0128 0.0495 67 SER A CB 478 O OG . SER A 67 ? 0.5832 0.5182 0.5616 0.1863 0.0077 0.0511 67 SER A OG 479 N N . VAL A 68 ? 0.5370 0.4050 0.4856 0.1604 0.0205 0.0483 68 VAL A N 480 C CA . VAL A 68 ? 0.4838 0.3479 0.4300 0.1447 0.0229 0.0472 68 VAL A CA 481 C C . VAL A 68 ? 0.4906 0.3824 0.4503 0.1367 0.0236 0.0449 68 VAL A C 482 O O . VAL A 68 ? 0.4137 0.3272 0.3848 0.1417 0.0255 0.0416 68 VAL A O 483 C CB . VAL A 68 ? 0.4559 0.3042 0.3948 0.1430 0.0282 0.0428 68 VAL A CB 484 C CG1 . VAL A 68 ? 0.3873 0.2349 0.3247 0.1281 0.0303 0.0417 68 VAL A CG1 485 C CG2 . VAL A 68 ? 0.5675 0.3903 0.4951 0.1443 0.0264 0.0432 68 VAL A CG2 486 N N . CYS A 69 ? 0.5163 0.4072 0.4752 0.1243 0.0221 0.0465 69 CYS A N 487 C CA . CYS A 69 ? 0.4766 0.3881 0.4468 0.1148 0.0225 0.0444 69 CYS A CA 488 C C . CYS A 69 ? 0.5284 0.4490 0.5039 0.1117 0.0288 0.0408 69 CYS A C 489 O O . CYS A 69 ? 0.6876 0.5934 0.6542 0.1122 0.0327 0.0396 69 CYS A O 490 C CB . CYS A 69 ? 0.5036 0.4059 0.4693 0.1029 0.0207 0.0463 69 CYS A CB 491 S SG . CYS A 69 ? 0.6092 0.5150 0.5738 0.1035 0.0138 0.0492 69 CYS A SG 492 N N . TYR A 70 ? 0.4770 0.4222 0.4665 0.1078 0.0298 0.0390 70 TYR A N 493 C CA . TYR A 70 ? 0.5129 0.4702 0.5082 0.1055 0.0367 0.0364 70 TYR A CA 494 C C . TYR A 70 ? 0.6686 0.6119 0.6554 0.0944 0.0402 0.0373 70 TYR A C 495 O O . TYR A 70 ? 0.7898 0.7280 0.7760 0.0843 0.0376 0.0393 70 TYR A O 496 C CB . TYR A 70 ? 0.4326 0.4206 0.4463 0.1023 0.0370 0.0349 70 TYR A CB 497 C CG . TYR A 70 ? 0.4946 0.5025 0.5173 0.1076 0.0440 0.0322 70 TYR A CG 498 C CD1 . TYR A 70 ? 0.4880 0.5091 0.5171 0.1222 0.0435 0.0300 70 TYR A CD1 499 C CD2 . TYR A 70 ? 0.5853 0.5999 0.6100 0.0985 0.0511 0.0321 70 TYR A CD2 500 C CE1 . TYR A 70 ? 0.5983 0.6401 0.6365 0.1278 0.0506 0.0269 70 TYR A CE1 501 C CE2 . TYR A 70 ? 0.5645 0.5996 0.5971 0.1031 0.0586 0.0297 70 TYR A CE2 502 C CZ . TYR A 70 ? 0.6293 0.6788 0.6692 0.1179 0.0585 0.0266 70 TYR A CZ 503 O OH . TYR A 70 ? 0.6345 0.7067 0.6830 0.1232 0.0667 0.0237 70 TYR A OH 504 N N . GLN A 71 ? 0.6024 0.5394 0.5818 0.0973 0.0458 0.0354 71 GLN A N 505 C CA . GLN A 71 ? 0.5427 0.4653 0.5114 0.0888 0.0483 0.0363 71 GLN A CA 506 C C . GLN A 71 ? 0.5591 0.4864 0.5235 0.0912 0.0558 0.0336 71 GLN A C 507 O O . GLN A 71 ? 0.5174 0.4563 0.4860 0.1011 0.0593 0.0303 71 GLN A O 508 C CB . GLN A 71 ? 0.4813 0.3775 0.4364 0.0897 0.0443 0.0372 71 GLN A CB 509 C CG . GLN A 71 ? 0.5076 0.3912 0.4548 0.1013 0.0445 0.0344 71 GLN A CG 510 C CD . GLN A 71 ? 0.6252 0.4848 0.5622 0.1010 0.0398 0.0363 71 GLN A CD 511 O OE1 . GLN A 71 ? 0.7530 0.5943 0.6788 0.1016 0.0405 0.0343 71 GLN A OE1 512 N NE2 . GLN A 71 ? 0.6047 0.4651 0.5456 0.0997 0.0351 0.0400 71 GLN A NE2 513 N N . TYR A 72 ? 0.5274 0.4466 0.4832 0.0828 0.0582 0.0350 72 TYR A N 514 C CA . TYR A 72 ? 0.4652 0.3841 0.4116 0.0848 0.0646 0.0325 72 TYR A CA 515 C C . TYR A 72 ? 0.4747 0.3727 0.4070 0.0935 0.0630 0.0278 72 TYR A C 516 O O . TYR A 72 ? 0.5346 0.4137 0.4611 0.0922 0.0572 0.0287 72 TYR A O 517 C CB . TYR A 72 ? 0.5082 0.4230 0.4482 0.0731 0.0659 0.0365 72 TYR A CB 518 C CG . TYR A 72 ? 0.5837 0.4925 0.5085 0.0739 0.0706 0.0344 72 TYR A CG 519 C CD1 . TYR A 72 ? 0.5708 0.4964 0.4957 0.0769 0.0788 0.0327 72 TYR A CD1 520 C CD2 . TYR A 72 ? 0.6097 0.4977 0.5199 0.0712 0.0667 0.0341 72 TYR A CD2 521 C CE1 . TYR A 72 ? 0.6217 0.5425 0.5308 0.0779 0.0831 0.0304 72 TYR A CE1 522 C CE2 . TYR A 72 ? 0.6456 0.5291 0.5410 0.0719 0.0699 0.0317 72 TYR A CE2 523 C CZ . TYR A 72 ? 0.6608 0.5601 0.5547 0.0755 0.0782 0.0297 72 TYR A CZ 524 O OH . TYR A 72 ? 0.7377 0.6331 0.6148 0.0766 0.0816 0.0267 72 TYR A OH 525 N N . VAL A 73 ? 0.4302 0.3319 0.3576 0.1023 0.0684 0.0225 73 VAL A N 526 C CA . VAL A 73 ? 0.4671 0.3466 0.3795 0.1093 0.0672 0.0170 73 VAL A CA 527 C C . VAL A 73 ? 0.5739 0.4463 0.4711 0.1043 0.0701 0.0146 73 VAL A C 528 O O . VAL A 73 ? 0.6043 0.4915 0.4994 0.1058 0.0772 0.0126 73 VAL A O 529 C CB . VAL A 73 ? 0.4218 0.3056 0.3360 0.1243 0.0705 0.0109 73 VAL A CB 530 C CG1 . VAL A 73 ? 0.4196 0.2757 0.3184 0.1309 0.0681 0.0049 73 VAL A CG1 531 C CG2 . VAL A 73 ? 0.3718 0.2667 0.3013 0.1302 0.0675 0.0136 73 VAL A CG2 532 N N . ASP A 74 ? 0.5984 0.4497 0.4849 0.0986 0.0647 0.0148 74 ASP A N 533 C CA . ASP A 74 ? 0.6933 0.5372 0.5646 0.0937 0.0655 0.0127 74 ASP A CA 534 C C . ASP A 74 ? 0.7971 0.6335 0.6556 0.1032 0.0688 0.0032 74 ASP A C 535 O O . ASP A 74 ? 0.9137 0.7303 0.7665 0.1083 0.0649 -0.0020 74 ASP A O 536 C CB . ASP A 74 ? 0.7255 0.5510 0.5913 0.0854 0.0579 0.0151 74 ASP A CB 537 C CG . ASP A 74 ? 0.7260 0.5475 0.5779 0.0791 0.0573 0.0144 74 ASP A CG 538 O OD1 . ASP A 74 ? 0.7127 0.5366 0.5532 0.0832 0.0617 0.0089 74 ASP A OD1 539 O OD2 . ASP A 74 ? 0.7240 0.5407 0.5761 0.0706 0.0523 0.0193 74 ASP A OD2 540 N N . THR A 75 ? 0.7915 0.6429 0.6447 0.1055 0.0762 0.0008 75 THR A N 541 C CA . THR A 75 ? 0.8327 0.6796 0.6732 0.1158 0.0804 -0.0094 75 THR A CA 542 C C . THR A 75 ? 0.8297 0.6788 0.6528 0.1119 0.0836 -0.0120 75 THR A C 543 O O . THR A 75 ? 0.7738 0.6360 0.5907 0.1186 0.0916 -0.0168 75 THR A O 544 C CB . THR A 75 ? 0.8624 0.7291 0.7131 0.1272 0.0880 -0.0122 75 THR A CB 545 O OG1 . THR A 75 ? 0.8924 0.7862 0.7538 0.1211 0.0939 -0.0049 75 THR A OG1 546 C CG2 . THR A 75 ? 0.8464 0.7073 0.7103 0.1346 0.0839 -0.0118 75 THR A CG2 547 N N . LEU A 76 ? 0.8013 0.6385 0.6160 0.1019 0.0773 -0.0088 76 LEU A N 548 C CA . LEU A 76 ? 0.6963 0.5326 0.4921 0.0984 0.0781 -0.0113 76 LEU A CA 549 C C . LEU A 76 ? 0.7688 0.5924 0.5484 0.1076 0.0788 -0.0247 76 LEU A C 550 O O . LEU A 76 ? 0.8729 0.7058 0.6391 0.1118 0.0851 -0.0297 76 LEU A O 551 C CB . LEU A 76 ? 0.6424 0.4669 0.4345 0.0873 0.0693 -0.0062 76 LEU A CB 552 C CG . LEU A 76 ? 0.4690 0.2949 0.2435 0.0818 0.0681 -0.0052 76 LEU A CG 553 C CD1 . LEU A 76 ? 0.5739 0.4209 0.3487 0.0787 0.0758 0.0036 76 LEU A CD1 554 C CD2 . LEU A 76 ? 0.4611 0.2749 0.2358 0.0728 0.0580 -0.0011 76 LEU A CD2 555 N N . TYR A 77 ? 0.7935 0.5951 0.5740 0.1107 0.0725 -0.0305 77 TYR A N 556 C CA . TYR A 77 ? 0.5221 0.3053 0.2875 0.1185 0.0714 -0.0440 77 TYR A CA 557 C C . TYR A 77 ? 0.5299 0.3070 0.3029 0.1317 0.0744 -0.0498 77 TYR A C 558 O O . TYR A 77 ? 0.5744 0.3304 0.3514 0.1327 0.0684 -0.0512 77 TYR A O 559 C CB . TYR A 77 ? 0.5271 0.2861 0.2858 0.1101 0.0608 -0.0465 77 TYR A CB 560 C CG . TYR A 77 ? 0.6139 0.3778 0.3631 0.0990 0.0567 -0.0427 77 TYR A CG 561 C CD1 . TYR A 77 ? 0.7179 0.4882 0.4483 0.1005 0.0594 -0.0485 77 TYR A CD1 562 C CD2 . TYR A 77 ? 0.6623 0.4249 0.4208 0.0881 0.0499 -0.0333 77 TYR A CD2 563 C CE1 . TYR A 77 ? 0.8431 0.6182 0.5637 0.0914 0.0549 -0.0444 77 TYR A CE1 564 C CE2 . TYR A 77 ? 0.5042 0.2717 0.2543 0.0794 0.0456 -0.0296 77 TYR A CE2 565 C CZ . TYR A 77 ? 0.7621 0.5356 0.4930 0.0812 0.0478 -0.0348 77 TYR A CZ 566 O OH . TYR A 77 ? 0.6573 0.4361 0.3780 0.0738 0.0431 -0.0308 77 TYR A OH 567 N N . PRO A 78 ? 0.7440 0.5399 0.5189 0.1424 0.0838 -0.0529 78 PRO A N 568 C CA . PRO A 78 ? 0.7465 0.5404 0.5299 0.1571 0.0870 -0.0581 78 PRO A CA 569 C C . PRO A 78 ? 0.7329 0.4944 0.5054 0.1645 0.0820 -0.0694 78 PRO A C 570 O O . PRO A 78 ? 0.7217 0.4710 0.4755 0.1662 0.0818 -0.0804 78 PRO A O 571 C CB . PRO A 78 ? 0.7546 0.5735 0.5346 0.1667 0.0983 -0.0631 78 PRO A CB 572 C CG . PRO A 78 ? 0.8310 0.6713 0.6102 0.1548 0.1016 -0.0542 78 PRO A CG 573 C CD . PRO A 78 ? 0.8179 0.6392 0.5867 0.1415 0.0923 -0.0514 78 PRO A CD 574 N N . GLY A 79 ? 0.7668 0.5140 0.5504 0.1691 0.0779 -0.0668 79 GLY A N 575 C CA . GLY A 79 ? 0.8526 0.5674 0.6275 0.1770 0.0737 -0.0765 79 GLY A CA 576 C C . GLY A 79 ? 0.8734 0.5606 0.6370 0.1643 0.0648 -0.0787 79 GLY A C 577 O O . GLY A 79 ? 0.9566 0.6241 0.7149 0.1643 0.0599 -0.0868 79 GLY A O 578 N N . PHE A 80 ? 0.7920 0.4875 0.5598 0.1489 0.0608 -0.0692 80 PHE A N 579 C CA . PHE A 80 ? 0.8234 0.4978 0.5834 0.1359 0.0522 -0.0704 80 PHE A CA 580 C C . PHE A 80 ? 0.9564 0.6121 0.7274 0.1317 0.0462 -0.0632 80 PHE A C 581 O O . PHE A 80 ? 1.0347 0.7031 0.8208 0.1312 0.0471 -0.0521 80 PHE A O 582 C CB . PHE A 80 ? 0.7253 0.4181 0.4838 0.1226 0.0506 -0.0640 80 PHE A CB 583 C CG . PHE A 80 ? 0.7200 0.3960 0.4715 0.1095 0.0416 -0.0657 80 PHE A CG 584 C CD1 . PHE A 80 ? 0.7077 0.3592 0.4450 0.1098 0.0372 -0.0784 80 PHE A CD1 585 C CD2 . PHE A 80 ? 0.7277 0.4135 0.4874 0.0970 0.0373 -0.0551 80 PHE A CD2 586 C CE1 . PHE A 80 ? 0.6562 0.2949 0.3889 0.0968 0.0284 -0.0803 80 PHE A CE1 587 C CE2 . PHE A 80 ? 0.6652 0.3391 0.4205 0.0854 0.0289 -0.0568 80 PHE A CE2 588 C CZ . PHE A 80 ? 0.6273 0.2786 0.3696 0.0848 0.0244 -0.0692 80 PHE A CZ 589 N N . GLU A 81 ? 1.0653 0.6960 0.8312 0.1264 0.0397 -0.0687 81 GLU A N 590 C CA . GLU A 81 ? 1.1082 0.7282 0.8881 0.1190 0.0337 -0.0608 81 GLU A CA 591 C C . GLU A 81 ? 0.9447 0.5708 0.7334 0.1074 0.0308 -0.0486 81 GLU A C 592 O O . GLU A 81 ? 0.9527 0.5856 0.7561 0.1066 0.0302 -0.0384 81 GLU A O 593 C CB . GLU A 81 ? 1.2526 0.8491 1.0265 0.1125 0.0277 -0.0693 81 GLU A CB 594 C CG . GLU A 81 ? 1.3683 0.9588 1.1232 0.1091 0.0263 -0.0815 81 GLU A CG 595 C CD . GLU A 81 ? 1.4889 1.0587 1.2368 0.1078 0.0221 -0.0937 81 GLU A CD 596 O OE1 . GLU A 81 ? 1.5174 1.0735 1.2759 0.1057 0.0192 -0.0911 81 GLU A OE1 597 O OE2 . GLU A 81 ? 1.5566 1.1240 1.2880 0.1087 0.0217 -0.1060 81 GLU A OE2 598 N N . GLY A 82 ? 0.8768 0.5027 0.6566 0.0984 0.0286 -0.0499 82 GLY A N 599 C CA . GLY A 82 ? 0.9143 0.5504 0.7050 0.0860 0.0250 -0.0389 82 GLY A CA 600 C C . GLY A 82 ? 0.9628 0.6280 0.7639 0.0871 0.0292 -0.0294 82 GLY A C 601 O O . GLY A 82 ? 0.9830 0.6592 0.7917 0.0777 0.0267 -0.0214 82 GLY A O 602 N N . THR A 83 ? 0.9800 0.6577 0.7822 0.0986 0.0357 -0.0307 83 THR A N 603 C CA . THR A 83 ? 1.0065 0.7119 0.8186 0.0985 0.0398 -0.0226 83 THR A CA 604 C C . THR A 83 ? 1.0099 0.7211 0.8344 0.1073 0.0427 -0.0173 83 THR A C 605 O O . THR A 83 ? 1.0299 0.7594 0.8664 0.1048 0.0437 -0.0088 83 THR A O 606 C CB . THR A 83 ? 1.0142 0.7368 0.8179 0.1019 0.0453 -0.0274 83 THR A CB 607 O OG1 . THR A 83 ? 0.9928 0.7375 0.8033 0.0949 0.0467 -0.0186 83 THR A OG1 608 C CG2 . THR A 83 ? 0.9890 0.7183 0.7935 0.1164 0.0524 -0.0322 83 THR A CG2 609 N N . GLU A 84 ? 0.9832 0.6780 0.8045 0.1180 0.0434 -0.0227 84 GLU A N 610 C CA . GLU A 84 ? 1.0325 0.7314 0.8643 0.1285 0.0453 -0.0183 84 GLU A CA 611 C C . GLU A 84 ? 1.1021 0.7937 0.9432 0.1200 0.0385 -0.0106 84 GLU A C 612 O O . GLU A 84 ? 1.2399 0.9393 1.0918 0.1243 0.0377 -0.0051 84 GLU A O 613 C CB . GLU A 84 ? 1.0506 0.7465 0.8793 0.1422 0.0483 -0.0270 84 GLU A CB 614 C CG . GLU A 84 ? 1.2862 0.9991 1.1090 0.1506 0.0563 -0.0343 84 GLU A CG 615 C CD . GLU A 84 ? 1.2079 0.9129 1.0232 0.1637 0.0591 -0.0458 84 GLU A CD 616 O OE1 . GLU A 84 ? 1.1781 0.8623 0.9904 0.1617 0.0535 -0.0498 84 GLU A OE1 617 O OE2 . GLU A 84 ? 1.0699 0.7936 0.8848 0.1743 0.0669 -0.0505 84 GLU A OE2 618 N N . MET A 85 ? 1.0187 0.6977 0.8556 0.1076 0.0339 -0.0103 85 MET A N 619 C CA . MET A 85 ? 0.9481 0.6245 0.7944 0.0977 0.0287 -0.0027 85 MET A CA 620 C C . MET A 85 ? 0.7931 0.4890 0.6508 0.0951 0.0290 0.0072 85 MET A C 621 O O . MET A 85 ? 0.6950 0.3948 0.5620 0.0928 0.0264 0.0137 85 MET A O 622 C CB . MET A 85 ? 0.9953 0.6588 0.8357 0.0850 0.0246 -0.0049 85 MET A CB 623 C CG . MET A 85 ? 1.0517 0.7172 0.9025 0.0738 0.0206 0.0033 85 MET A CG 624 S SD . MET A 85 ? 1.4754 1.1287 1.3212 0.0594 0.0160 0.0004 85 MET A SD 625 C CE . MET A 85 ? 0.6884 0.3421 0.5481 0.0507 0.0134 0.0096 85 MET A CE 626 N N . TRP A 86 ? 0.6973 0.4046 0.5533 0.0957 0.0323 0.0079 86 TRP A N 627 C CA . TRP A 86 ? 0.5717 0.2967 0.4377 0.0925 0.0326 0.0161 86 TRP A CA 628 C C . TRP A 86 ? 0.5330 0.2726 0.4045 0.1039 0.0371 0.0171 86 TRP A C 629 O O . TRP A 86 ? 0.6087 0.3651 0.4901 0.1017 0.0369 0.0230 86 TRP A O 630 C CB . TRP A 86 ? 0.5609 0.2926 0.4248 0.0836 0.0326 0.0172 86 TRP A CB 631 C CG . TRP A 86 ? 0.6823 0.3987 0.5383 0.0750 0.0288 0.0142 86 TRP A CG 632 C CD1 . TRP A 86 ? 0.7512 0.4601 0.5962 0.0742 0.0285 0.0062 86 TRP A CD1 633 C CD2 . TRP A 86 ? 0.7154 0.4290 0.5767 0.0647 0.0241 0.0183 86 TRP A CD2 634 N NE1 . TRP A 86 ? 0.7536 0.4503 0.5951 0.0646 0.0235 0.0052 86 TRP A NE1 635 C CE2 . TRP A 86 ? 0.7965 0.4948 0.6479 0.0589 0.0213 0.0130 86 TRP A CE2 636 C CE3 . TRP A 86 ? 0.6624 0.3875 0.5363 0.0596 0.0220 0.0253 86 TRP A CE3 637 C CZ2 . TRP A 86 ? 0.7842 0.4795 0.6399 0.0481 0.0168 0.0151 86 TRP A CZ2 638 C CZ3 . TRP A 86 ? 0.6799 0.4023 0.5574 0.0497 0.0184 0.0273 86 TRP A CZ3 639 C CH2 . TRP A 86 ? 0.6678 0.3758 0.5371 0.0439 0.0160 0.0226 86 TRP A CH2 640 N N . ASN A 87 ? 0.5090 0.2478 0.3766 0.1144 0.0406 0.0106 87 ASN A N 641 C CA . ASN A 87 ? 0.5859 0.3470 0.4630 0.1235 0.0446 0.0110 87 ASN A CA 642 C C . ASN A 87 ? 0.6510 0.4117 0.5357 0.1318 0.0422 0.0157 87 ASN A C 643 O O . ASN A 87 ? 0.6744 0.4225 0.5577 0.1306 0.0378 0.0155 87 ASN A O 644 C CB . ASN A 87 ? 0.6813 0.4475 0.5531 0.1324 0.0502 0.0024 87 ASN A CB 645 C CG . ASN A 87 ? 0.8808 0.6629 0.7500 0.1247 0.0540 0.0007 87 ASN A CG 646 O OD1 . ASN A 87 ? 0.8337 0.6261 0.7077 0.1139 0.0527 0.0067 87 ASN A OD1 647 N ND2 . ASN A 87 ? 1.0258 0.8095 0.8863 0.1308 0.0589 -0.0073 87 ASN A ND2 648 N N . PRO A 88 ? 0.6422 0.4269 0.5393 0.1340 0.0431 0.0198 88 PRO A N 649 C CA . PRO A 88 ? 0.6972 0.4891 0.6027 0.1434 0.0409 0.0239 88 PRO A CA 650 C C . PRO A 88 ? 0.7714 0.5558 0.6754 0.1534 0.0397 0.0200 88 PRO A C 651 O O . PRO A 88 ? 0.8091 0.5974 0.7119 0.1634 0.0444 0.0135 88 PRO A O 652 C CB . PRO A 88 ? 0.6680 0.4929 0.5872 0.1443 0.0442 0.0236 88 PRO A CB 653 C CG . PRO A 88 ? 0.5075 0.3399 0.4247 0.1324 0.0478 0.0217 88 PRO A CG 654 C CD . PRO A 88 ? 0.5745 0.3816 0.4787 0.1245 0.0453 0.0215 88 PRO A CD 655 N N . ASN A 89 ? 0.8237 0.5985 0.7280 0.1511 0.0339 0.0241 89 ASN A N 656 C CA . ASN A 89 ? 0.9071 0.6727 0.8105 0.1605 0.0322 0.0218 89 ASN A CA 657 C C . ASN A 89 ? 0.9512 0.7350 0.8647 0.1727 0.0309 0.0248 89 ASN A C 658 O O . ASN A 89 ? 1.0818 0.8713 0.9983 0.1854 0.0330 0.0201 89 ASN A O 659 C CB . ASN A 89 ? 0.9009 0.6445 0.7989 0.1521 0.0274 0.0250 89 ASN A CB 660 C CG . ASN A 89 ? 0.8757 0.6229 0.7763 0.1412 0.0239 0.0331 89 ASN A CG 661 O OD1 . ASN A 89 ? 0.9246 0.6889 0.8316 0.1436 0.0230 0.0376 89 ASN A OD1 662 N ND2 . ASN A 89 ? 0.8556 0.5880 0.7517 0.1294 0.0220 0.0346 89 ASN A ND2 663 N N . ARG A 90 ? 0.8523 0.6463 0.7712 0.1691 0.0273 0.0320 90 ARG A N 664 C CA . ARG A 90 ? 0.7417 0.5567 0.6707 0.1798 0.0254 0.0349 90 ARG A CA 665 C C . ARG A 90 ? 0.6358 0.4765 0.5747 0.1854 0.0304 0.0316 90 ARG A C 666 O O . ARG A 90 ? 0.4916 0.3323 0.4282 0.1789 0.0350 0.0293 90 ARG A O 667 C CB . ARG A 90 ? 0.6410 0.4586 0.5708 0.1738 0.0199 0.0430 90 ARG A CB 668 C CG . ARG A 90 ? 0.6670 0.4628 0.5888 0.1697 0.0159 0.0472 90 ARG A CG 669 C CD . ARG A 90 ? 0.7880 0.5800 0.7109 0.1830 0.0140 0.0469 90 ARG A CD 670 N NE . ARG A 90 ? 0.8958 0.6621 0.8106 0.1796 0.0119 0.0496 90 ARG A NE 671 C CZ . ARG A 90 ? 1.0275 0.7735 0.9362 0.1745 0.0140 0.0451 90 ARG A CZ 672 N NH1 . ARG A 90 ? 1.0053 0.7534 0.9133 0.1723 0.0184 0.0377 90 ARG A NH1 673 N NH2 . ARG A 90 ? 1.0790 0.8025 0.9822 0.1716 0.0118 0.0481 90 ARG A NH2 674 N N . GLU A 91 ? 0.6505 0.5144 0.6012 0.1973 0.0295 0.0316 91 GLU A N 675 C CA . GLU A 91 ? 0.6151 0.5093 0.5793 0.2027 0.0346 0.0288 91 GLU A CA 676 C C . GLU A 91 ? 0.5273 0.4358 0.4974 0.1871 0.0334 0.0321 91 GLU A C 677 O O . GLU A 91 ? 0.4869 0.3819 0.4504 0.1791 0.0288 0.0373 91 GLU A O 678 C CB . GLU A 91 ? 0.7915 0.7118 0.7700 0.2164 0.0323 0.0282 91 GLU A CB 679 C CG . GLU A 91 ? 1.0750 0.9971 1.0550 0.2175 0.0234 0.0348 91 GLU A CG 680 C CD . GLU A 91 ? 1.2422 1.2016 1.2408 0.2268 0.0208 0.0349 91 GLU A CD 681 O OE1 . GLU A 91 ? 1.2329 1.2199 1.2452 0.2225 0.0248 0.0320 91 GLU A OE1 682 O OE2 . GLU A 91 ? 1.3017 1.2644 1.3021 0.2346 0.0143 0.0376 91 GLU A OE2 683 N N . LEU A 92 ? 0.5429 0.4794 0.5258 0.1812 0.0377 0.0288 92 LEU A N 684 C CA . LEU A 92 ? 0.5601 0.5093 0.5492 0.1646 0.0367 0.0309 92 LEU A CA 685 C C . LEU A 92 ? 0.4983 0.4771 0.5040 0.1652 0.0321 0.0323 92 LEU A C 686 O O . LEU A 92 ? 0.5294 0.5327 0.5483 0.1749 0.0333 0.0297 92 LEU A O 687 C CB . LEU A 92 ? 0.5422 0.5001 0.5333 0.1544 0.0443 0.0275 92 LEU A CB 688 C CG . LEU A 92 ? 0.5328 0.4661 0.5079 0.1497 0.0486 0.0255 92 LEU A CG 689 C CD1 . LEU A 92 ? 0.3382 0.2831 0.3160 0.1361 0.0538 0.0251 92 LEU A CD1 690 C CD2 . LEU A 92 ? 0.5557 0.4584 0.5166 0.1453 0.0437 0.0288 92 LEU A CD2 691 N N . SER A 93 ? 0.4292 0.4067 0.4345 0.1551 0.0268 0.0357 93 SER A N 692 C CA . SER A 93 ? 0.4750 0.4797 0.4949 0.1533 0.0215 0.0360 93 SER A CA 693 C C . SER A 93 ? 0.4643 0.4664 0.4832 0.1372 0.0189 0.0372 93 SER A C 694 O O . SER A 93 ? 0.3066 0.2844 0.3124 0.1301 0.0199 0.0392 93 SER A O 695 C CB . SER A 93 ? 0.5386 0.5435 0.5567 0.1670 0.0140 0.0390 93 SER A CB 696 O OG . SER A 93 ? 0.5471 0.5855 0.5826 0.1702 0.0097 0.0373 93 SER A OG 697 N N . GLU A 94 ? 0.4896 0.5174 0.5232 0.1316 0.0154 0.0355 94 GLU A N 698 C CA . GLU A 94 ? 0.5529 0.5784 0.5855 0.1189 0.0110 0.0358 94 GLU A CA 699 C C . GLU A 94 ? 0.6795 0.6981 0.7034 0.1256 0.0030 0.0386 94 GLU A C 700 O O . GLU A 94 ? 0.7991 0.8043 0.8140 0.1184 0.0002 0.0399 94 GLU A O 701 C CB . GLU A 94 ? 0.4738 0.5275 0.5250 0.1090 0.0102 0.0321 94 GLU A CB 702 C CG . GLU A 94 ? 0.4049 0.4632 0.4628 0.0989 0.0186 0.0309 94 GLU A CG 703 C CD . GLU A 94 ? 0.4455 0.5262 0.5204 0.0855 0.0176 0.0281 94 GLU A CD 704 O OE1 . GLU A 94 ? 0.3779 0.4883 0.4705 0.0875 0.0178 0.0257 94 GLU A OE1 705 O OE2 . GLU A 94 ? 0.5093 0.5778 0.5804 0.0730 0.0165 0.0283 94 GLU A OE2 706 N N . ASP A 95 ? 0.5343 0.5628 0.5607 0.1401 -0.0006 0.0398 95 ASP A N 707 C CA . ASP A 95 ? 0.4421 0.4607 0.4570 0.1492 -0.0074 0.0443 95 ASP A CA 708 C C . ASP A 95 ? 0.4302 0.4148 0.4268 0.1523 -0.0038 0.0490 95 ASP A C 709 O O . ASP A 95 ? 0.5253 0.5004 0.5175 0.1650 -0.0027 0.0513 95 ASP A O 710 C CB . ASP A 95 ? 0.4892 0.5273 0.5120 0.1652 -0.0121 0.0449 95 ASP A CB 711 C CG . ASP A 95 ? 0.5370 0.5688 0.5481 0.1742 -0.0202 0.0504 95 ASP A CG 712 O OD1 . ASP A 95 ? 0.5350 0.5432 0.5298 0.1695 -0.0206 0.0545 95 ASP A OD1 713 O OD2 . ASP A 95 ? 0.5735 0.6253 0.5917 0.1864 -0.0263 0.0509 95 ASP A OD2 714 N N . CYS A 96 ? 0.4066 0.3731 0.3934 0.1410 -0.0023 0.0502 96 CYS A N 715 C CA . CYS A 96 ? 0.4565 0.3924 0.4283 0.1404 0.0016 0.0538 96 CYS A CA 716 C C . CYS A 96 ? 0.4766 0.3964 0.4356 0.1348 -0.0008 0.0581 96 CYS A C 717 O O . CYS A 96 ? 0.5098 0.4057 0.4574 0.1327 0.0021 0.0613 96 CYS A O 718 C CB . CYS A 96 ? 0.4228 0.3531 0.3967 0.1306 0.0083 0.0501 96 CYS A CB 719 S SG . CYS A 96 ? 0.3009 0.2371 0.2791 0.1133 0.0083 0.0477 96 CYS A SG 720 N N . LEU A 97 ? 0.4085 0.3425 0.3695 0.1321 -0.0061 0.0577 97 LEU A N 721 C CA . LEU A 97 ? 0.4775 0.4003 0.4270 0.1268 -0.0078 0.0609 97 LEU A CA 722 C C . LEU A 97 ? 0.6028 0.5130 0.5383 0.1364 -0.0105 0.0688 97 LEU A C 723 O O . LEU A 97 ? 0.6494 0.5714 0.5823 0.1421 -0.0164 0.0708 97 LEU A O 724 C CB . LEU A 97 ? 0.4408 0.3825 0.3968 0.1196 -0.0120 0.0559 97 LEU A CB 725 C CG . LEU A 97 ? 0.3965 0.3405 0.3615 0.1072 -0.0082 0.0502 97 LEU A CG 726 C CD1 . LEU A 97 ? 0.2949 0.2515 0.2645 0.0991 -0.0123 0.0450 97 LEU A CD1 727 C CD2 . LEU A 97 ? 0.3822 0.3026 0.3383 0.1017 -0.0026 0.0528 97 LEU A CD2 728 N N . TYR A 98 ? 0.5154 0.4010 0.4415 0.1376 -0.0064 0.0735 98 TYR A N 729 C CA . TYR A 98 ? 0.3680 0.2400 0.2831 0.1419 -0.0076 0.0801 98 TYR A CA 730 C C . TYR A 98 ? 0.4620 0.3150 0.3700 0.1295 -0.0032 0.0816 98 TYR A C 731 O O . TYR A 98 ? 0.4663 0.3138 0.3775 0.1215 0.0006 0.0779 98 TYR A O 732 C CB . TYR A 98 ? 0.3793 0.2482 0.2983 0.1500 -0.0074 0.0793 98 TYR A CB 733 C CG . TYR A 98 ? 0.4467 0.3382 0.3749 0.1629 -0.0120 0.0778 98 TYR A CG 734 C CD1 . TYR A 98 ? 0.4409 0.3493 0.3825 0.1650 -0.0106 0.0719 98 TYR A CD1 735 C CD2 . TYR A 98 ? 0.5247 0.4238 0.4499 0.1717 -0.0177 0.0819 98 TYR A CD2 736 C CE1 . TYR A 98 ? 0.5103 0.4460 0.4647 0.1731 -0.0149 0.0687 98 TYR A CE1 737 C CE2 . TYR A 98 ? 0.6109 0.5345 0.5465 0.1832 -0.0229 0.0799 98 TYR A CE2 738 C CZ . TYR A 98 ? 0.5354 0.4781 0.4862 0.1856 -0.0217 0.0737 98 TYR A CZ 739 O OH . TYR A 98 ? 0.4854 0.4576 0.4500 0.1941 -0.0268 0.0705 98 TYR A OH 740 N N . LEU A 99 ? 0.4381 0.2826 0.3371 0.1280 -0.0040 0.0874 99 LEU A N 741 C CA . LEU A 99 ? 0.3824 0.2124 0.2767 0.1167 -0.0002 0.0893 99 LEU A CA 742 C C . LEU A 99 ? 0.5349 0.3502 0.4243 0.1175 -0.0003 0.0943 99 LEU A C 743 O O . LEU A 99 ? 0.4836 0.2998 0.3721 0.1273 -0.0034 0.0965 99 LEU A O 744 C CB . LEU A 99 ? 0.3776 0.2127 0.2656 0.1117 0.0001 0.0919 99 LEU A CB 745 C CG . LEU A 99 ? 0.4520 0.2965 0.3308 0.1183 -0.0037 0.0972 99 LEU A CG 746 C CD1 . LEU A 99 ? 0.4070 0.2413 0.2770 0.1184 -0.0035 0.1050 99 LEU A CD1 747 C CD2 . LEU A 99 ? 0.3789 0.2303 0.2531 0.1143 -0.0029 0.0965 99 LEU A CD2 748 N N . ASN A 100 ? 0.4053 0.2073 0.2922 0.1076 0.0027 0.0961 100 ASN A N 749 C CA . ASN A 100 ? 0.5210 0.3061 0.4049 0.1069 0.0028 0.1003 100 ASN A CA 750 C C . ASN A 100 ? 0.5158 0.2931 0.3938 0.0974 0.0049 0.1066 100 ASN A C 751 O O . ASN A 100 ? 0.4863 0.2663 0.3664 0.0884 0.0076 0.1045 100 ASN A O 752 C CB . ASN A 100 ? 0.6393 0.4133 0.5290 0.1045 0.0045 0.0942 100 ASN A CB 753 C CG . ASN A 100 ? 0.5727 0.3572 0.4694 0.1099 0.0047 0.0864 100 ASN A CG 754 O OD1 . ASN A 100 ? 0.5454 0.3346 0.4439 0.1210 0.0028 0.0854 100 ASN A OD1 755 N ND2 . ASN A 100 ? 0.4530 0.2412 0.3537 0.1023 0.0072 0.0812 100 ASN A ND2 756 N N . VAL A 101 ? 0.5680 0.3358 0.4389 0.0997 0.0037 0.1147 101 VAL A N 757 C CA . VAL A 101 ? 0.4641 0.2242 0.3289 0.0910 0.0060 0.1223 101 VAL A CA 758 C C . VAL A 101 ? 0.5866 0.3257 0.4506 0.0879 0.0059 0.1270 101 VAL A C 759 O O . VAL A 101 ? 0.6144 0.3448 0.4760 0.0961 0.0031 0.1301 101 VAL A O 760 C CB . VAL A 101 ? 0.8779 0.6464 0.7319 0.0954 0.0050 0.1303 101 VAL A CB 761 C CG1 . VAL A 101 ? 0.4843 0.2467 0.3317 0.0857 0.0087 0.1384 101 VAL A CG1 762 C CG2 . VAL A 101 ? 0.4548 0.2430 0.3089 0.0995 0.0043 0.1255 101 VAL A CG2 763 N N . TRP A 102 ? 0.5491 0.2800 0.4157 0.0762 0.0088 0.1275 102 TRP A N 764 C CA . TRP A 102 ? 0.6390 0.3496 0.5046 0.0711 0.0089 0.1333 102 TRP A CA 765 C C . TRP A 102 ? 0.7221 0.4321 0.5809 0.0630 0.0115 0.1434 102 TRP A C 766 O O . TRP A 102 ? 0.7919 0.5112 0.6521 0.0549 0.0148 0.1425 102 TRP A O 767 C CB . TRP A 102 ? 0.6227 0.3239 0.4967 0.0634 0.0100 0.1263 102 TRP A CB 768 C CG . TRP A 102 ? 0.6020 0.3010 0.4811 0.0708 0.0082 0.1169 102 TRP A CG 769 C CD1 . TRP A 102 ? 0.6863 0.3688 0.5655 0.0765 0.0065 0.1159 102 TRP A CD1 770 C CD2 . TRP A 102 ? 0.5435 0.2570 0.4275 0.0737 0.0085 0.1074 102 TRP A CD2 771 N NE1 . TRP A 102 ? 0.6952 0.3821 0.5785 0.0831 0.0060 0.1061 102 TRP A NE1 772 C CE2 . TRP A 102 ? 0.6208 0.3267 0.5071 0.0811 0.0073 0.1012 102 TRP A CE2 773 C CE3 . TRP A 102 ? 0.5066 0.2379 0.3930 0.0709 0.0099 0.1038 102 TRP A CE3 774 C CZ2 . TRP A 102 ? 0.6268 0.3434 0.5174 0.0853 0.0077 0.0923 102 TRP A CZ2 775 C CZ3 . TRP A 102 ? 0.5056 0.2462 0.3968 0.0748 0.0098 0.0951 102 TRP A CZ3 776 C CH2 . TRP A 102 ? 0.5489 0.2826 0.4420 0.0817 0.0089 0.0898 102 TRP A CH2 777 N N . THR A 103 ? 0.7210 0.4199 0.5719 0.0654 0.0104 0.1535 103 THR A N 778 C CA . THR A 103 ? 0.6529 0.3510 0.4960 0.0575 0.0134 0.1643 103 THR A CA 779 C C . THR A 103 ? 0.6765 0.3514 0.5188 0.0522 0.0128 0.1725 103 THR A C 780 O O . THR A 103 ? 0.6836 0.3445 0.5276 0.0592 0.0094 0.1716 103 THR A O 781 C CB . THR A 103 ? 0.6313 0.3419 0.4627 0.0657 0.0127 0.1703 103 THR A CB 782 O OG1 . THR A 103 ? 0.7098 0.4194 0.5318 0.0581 0.0164 0.1814 103 THR A OG1 783 C CG2 . THR A 103 ? 0.6277 0.3310 0.4548 0.0783 0.0076 0.1733 103 THR A CG2 784 N N . PRO A 104 ? 0.7077 0.3782 0.5483 0.0397 0.0166 0.1804 104 PRO A N 785 C CA . PRO A 104 ? 0.7949 0.4424 0.6365 0.0327 0.0162 0.1883 104 PRO A CA 786 C C . PRO A 104 ? 0.9139 0.5469 0.7462 0.0408 0.0130 0.1986 104 PRO A C 787 O O . PRO A 104 ? 0.8519 0.4941 0.6750 0.0513 0.0112 0.2014 104 PRO A O 788 C CB . PRO A 104 ? 0.6340 0.2854 0.4740 0.0179 0.0214 0.1959 104 PRO A CB 789 C CG . PRO A 104 ? 0.6014 0.2744 0.4456 0.0161 0.0243 0.1869 104 PRO A CG 790 C CD . PRO A 104 ? 0.7140 0.4000 0.5539 0.0304 0.0217 0.1809 104 PRO A CD 791 N N . TYR A 105 ? 1.0596 0.6690 0.8947 0.0360 0.0120 0.2041 105 TYR A N 792 C CA . TYR A 105 ? 1.0909 0.6831 0.9175 0.0422 0.0092 0.2156 105 TYR A CA 793 C C . TYR A 105 ? 1.0176 0.5953 0.8408 0.0286 0.0119 0.2297 105 TYR A C 794 O O . TYR A 105 ? 0.9578 0.5226 0.7907 0.0176 0.0135 0.2290 105 TYR A O 795 C CB . TYR A 105 ? 1.1413 0.7150 0.9738 0.0519 0.0050 0.2097 105 TYR A CB 796 C CG . TYR A 105 ? 1.1484 0.7093 0.9718 0.0638 0.0010 0.2191 105 TYR A CG 797 C CD1 . TYR A 105 ? 1.1576 0.6995 0.9739 0.0587 0.0010 0.2345 105 TYR A CD1 798 C CD2 . TYR A 105 ? 1.2418 0.8098 1.0639 0.0803 -0.0028 0.2130 105 TYR A CD2 799 C CE1 . TYR A 105 ? 1.3228 0.8522 1.1304 0.0702 -0.0031 0.2436 105 TYR A CE1 800 C CE2 . TYR A 105 ? 1.3591 0.9161 1.1733 0.0921 -0.0069 0.2215 105 TYR A CE2 801 C CZ . TYR A 105 ? 1.4577 0.9949 1.2642 0.0873 -0.0072 0.2370 105 TYR A CZ 802 O OH . TYR A 105 ? 1.6092 1.1345 1.4073 0.0995 -0.0116 0.2464 105 TYR A OH 803 N N . PRO A 106 ? 0.9877 0.5678 0.7967 0.0293 0.0126 0.2430 106 PRO A N 804 C CA . PRO A 106 ? 0.9749 0.5705 0.7725 0.0429 0.0104 0.2434 106 PRO A CA 805 C C . PRO A 106 ? 0.9985 0.6219 0.7933 0.0406 0.0144 0.2378 106 PRO A C 806 O O . PRO A 106 ? 1.0078 0.6374 0.8067 0.0275 0.0194 0.2373 106 PRO A O 807 C CB . PRO A 106 ? 0.8840 0.4679 0.6667 0.0427 0.0099 0.2611 106 PRO A CB 808 C CG . PRO A 106 ? 0.9044 0.4635 0.6928 0.0298 0.0112 0.2694 106 PRO A CG 809 C CD . PRO A 106 ? 0.9401 0.5057 0.7428 0.0179 0.0149 0.2592 106 PRO A CD 810 N N . ARG A 107 ? 0.9771 0.6169 0.7661 0.0536 0.0121 0.2334 107 ARG A N 811 C CA . ARG A 107 ? 0.9204 0.5862 0.7060 0.0539 0.0154 0.2280 107 ARG A CA 812 C C . ARG A 107 ? 0.7983 0.4690 0.5759 0.0410 0.0219 0.2372 107 ARG A C 813 O O . ARG A 107 ? 0.8160 0.4766 0.5822 0.0378 0.0227 0.2508 107 ARG A O 814 C CB . ARG A 107 ? 0.9598 0.6381 0.7353 0.0691 0.0114 0.2283 107 ARG A CB 815 C CG . ARG A 107 ? 0.9437 0.6478 0.7195 0.0732 0.0129 0.2186 107 ARG A CG 816 C CD . ARG A 107 ? 0.9758 0.6889 0.7523 0.0890 0.0066 0.2121 107 ARG A CD 817 N NE . ARG A 107 ? 1.0125 0.7251 0.7751 0.0987 0.0026 0.2220 107 ARG A NE 818 C CZ . ARG A 107 ? 1.0732 0.7816 0.8368 0.1114 -0.0039 0.2216 107 ARG A CZ 819 N NH1 . ARG A 107 ? 1.1582 0.8623 0.9356 0.1155 -0.0061 0.2117 107 ARG A NH1 820 N NH2 . ARG A 107 ? 1.0580 0.7668 0.8083 0.1203 -0.0079 0.2311 107 ARG A NH2 821 N N . PRO A 108 ? 0.7694 0.4553 0.5530 0.0333 0.0271 0.2301 108 PRO A N 822 C CA . PRO A 108 ? 0.8425 0.5318 0.6206 0.0196 0.0342 0.2388 108 PRO A CA 823 C C . PRO A 108 ? 0.8509 0.5552 0.6111 0.0233 0.0377 0.2465 108 PRO A C 824 O O . PRO A 108 ? 0.7765 0.4948 0.5309 0.0357 0.0352 0.2418 108 PRO A O 825 C CB . PRO A 108 ? 0.8170 0.5190 0.6081 0.0121 0.0384 0.2278 108 PRO A CB 826 C CG . PRO A 108 ? 0.6966 0.3976 0.4999 0.0206 0.0328 0.2144 108 PRO A CG 827 C CD . PRO A 108 ? 0.6991 0.3985 0.4949 0.0356 0.0270 0.2150 108 PRO A CD 828 N N . THR A 109 ? 0.9512 0.6530 0.7026 0.0120 0.0436 0.2583 109 THR A N 829 C CA . THR A 109 ? 1.0999 0.8129 0.8320 0.0151 0.0470 0.2675 109 THR A CA 830 C C . THR A 109 ? 1.0881 0.8284 0.8183 0.0147 0.0542 0.2609 109 THR A C 831 O O . THR A 109 ? 1.0389 0.7948 0.7557 0.0236 0.0550 0.2617 109 THR A O 832 C CB . THR A 109 ? 1.1635 0.8614 0.8850 0.0032 0.0506 0.2842 109 THR A CB 833 O OG1 . THR A 109 ? 1.2672 0.9684 0.9958 -0.0134 0.0586 0.2849 109 THR A OG1 834 C CG2 . THR A 109 ? 1.0725 0.7418 0.7977 0.0040 0.0432 0.2905 109 THR A CG2 835 N N . SER A 110 ? 0.9691 0.7153 0.7129 0.0048 0.0593 0.2543 110 SER A N 836 C CA . SER A 110 ? 0.8573 0.6287 0.6025 0.0049 0.0664 0.2471 110 SER A CA 837 C C . SER A 110 ? 0.8888 0.6661 0.6483 0.0123 0.0620 0.2321 110 SER A C 838 O O . SER A 110 ? 1.0510 0.8132 0.8224 0.0114 0.0564 0.2275 110 SER A O 839 C CB . SER A 110 ? 0.8255 0.6015 0.5763 -0.0114 0.0760 0.2508 110 SER A CB 840 O OG . SER A 110 ? 0.8700 0.6252 0.6319 -0.0226 0.0735 0.2531 110 SER A OG 841 N N . PRO A 111 ? 0.8091 0.6082 0.5671 0.0195 0.0645 0.2243 111 PRO A N 842 C CA . PRO A 111 ? 0.7676 0.5712 0.5385 0.0260 0.0604 0.2106 111 PRO A CA 843 C C . PRO A 111 ? 0.7095 0.5080 0.4977 0.0149 0.0630 0.2059 111 PRO A C 844 O O . PRO A 111 ? 0.6507 0.4574 0.4413 0.0049 0.0711 0.2092 111 PRO A O 845 C CB . PRO A 111 ? 0.7367 0.5646 0.5011 0.0333 0.0643 0.2054 111 PRO A CB 846 C CG . PRO A 111 ? 0.6797 0.5181 0.4348 0.0257 0.0738 0.2144 111 PRO A CG 847 C CD . PRO A 111 ? 0.7396 0.5602 0.4856 0.0207 0.0722 0.2271 111 PRO A CD 848 N N . THR A 112 ? 0.7581 0.5444 0.5580 0.0167 0.0563 0.1983 112 THR A N 849 C CA . THR A 112 ? 0.7659 0.5461 0.5815 0.0068 0.0573 0.1932 112 THR A CA 850 C C . THR A 112 ? 0.7178 0.5066 0.5439 0.0124 0.0551 0.1801 112 THR A C 851 O O . THR A 112 ? 0.7910 0.5834 0.6144 0.0239 0.0503 0.1743 112 THR A O 852 C CB . THR A 112 ? 0.7249 0.4816 0.5460 0.0022 0.0514 0.1954 112 THR A CB 853 O OG1 . THR A 112 ? 0.5430 0.2947 0.3727 0.0100 0.0447 0.1847 112 THR A OG1 854 C CG2 . THR A 112 ? 0.6475 0.3925 0.4557 0.0049 0.0492 0.2067 112 THR A CG2 855 N N . PRO A 113 ? 0.6598 0.4521 0.4980 0.0040 0.0586 0.1757 113 PRO A N 856 C CA . PRO A 113 ? 0.5752 0.3746 0.4238 0.0073 0.0572 0.1643 113 PRO A CA 857 C C . PRO A 113 ? 0.5507 0.3410 0.4031 0.0154 0.0486 0.1559 113 PRO A C 858 O O . PRO A 113 ? 0.4760 0.2508 0.3294 0.0147 0.0438 0.1572 113 PRO A O 859 C CB . PRO A 113 ? 0.5770 0.3731 0.4380 -0.0056 0.0601 0.1638 113 PRO A CB 860 C CG . PRO A 113 ? 0.7278 0.5281 0.5842 -0.0147 0.0674 0.1746 113 PRO A CG 861 C CD . PRO A 113 ? 0.7705 0.5618 0.6126 -0.0104 0.0649 0.1827 113 PRO A CD 862 N N . VAL A 114 ? 0.5136 0.3139 0.3687 0.0229 0.0472 0.1474 114 VAL A N 863 C CA . VAL A 114 ? 0.4742 0.2695 0.3332 0.0303 0.0401 0.1394 114 VAL A CA 864 C C . VAL A 114 ? 0.4759 0.2717 0.3473 0.0272 0.0389 0.1301 114 VAL A C 865 O O . VAL A 114 ? 0.5392 0.3449 0.4138 0.0251 0.0429 0.1280 114 VAL A O 866 C CB . VAL A 114 ? 0.5424 0.3483 0.3933 0.0420 0.0382 0.1374 114 VAL A CB 867 C CG1 . VAL A 114 ? 0.5062 0.3101 0.3628 0.0490 0.0318 0.1289 114 VAL A CG1 868 C CG2 . VAL A 114 ? 0.6884 0.4937 0.5261 0.0458 0.0383 0.1466 114 VAL A CG2 869 N N . LEU A 115 ? 0.4793 0.2647 0.3570 0.0272 0.0337 0.1249 115 LEU A N 870 C CA . LEU A 115 ? 0.4928 0.2792 0.3804 0.0260 0.0315 0.1155 115 LEU A CA 871 C C . LEU A 115 ? 0.5637 0.3534 0.4523 0.0355 0.0271 0.1086 115 LEU A C 872 O O . LEU A 115 ? 0.6551 0.4381 0.5416 0.0404 0.0239 0.1091 115 LEU A O 873 C CB . LEU A 115 ? 0.4186 0.1922 0.3129 0.0181 0.0298 0.1141 115 LEU A CB 874 C CG . LEU A 115 ? 0.4874 0.2606 0.3865 0.0067 0.0337 0.1169 115 LEU A CG 875 C CD1 . LEU A 115 ? 0.4134 0.1718 0.3179 -0.0006 0.0310 0.1156 115 LEU A CD1 876 C CD2 . LEU A 115 ? 0.5166 0.3018 0.4210 0.0065 0.0355 0.1116 115 LEU A CD2 877 N N . VAL A 116 ? 0.5638 0.3634 0.4559 0.0380 0.0271 0.1026 116 VAL A N 878 C CA . VAL A 116 ? 0.5245 0.3280 0.4184 0.0455 0.0235 0.0963 116 VAL A CA 879 C C . VAL A 116 ? 0.5183 0.3210 0.4212 0.0425 0.0218 0.0886 116 VAL A C 880 O O . VAL A 116 ? 0.5062 0.3130 0.4134 0.0383 0.0232 0.0861 116 VAL A O 881 C CB . VAL A 116 ? 0.4563 0.2711 0.3456 0.0520 0.0240 0.0960 116 VAL A CB 882 C CG1 . VAL A 116 ? 0.3971 0.2158 0.2893 0.0589 0.0202 0.0902 116 VAL A CG1 883 C CG2 . VAL A 116 ? 0.3657 0.1817 0.2439 0.0558 0.0252 0.1038 116 VAL A CG2 884 N N . TRP A 117 ? 0.5038 0.3009 0.4087 0.0455 0.0191 0.0854 117 TRP A N 885 C CA . TRP A 117 ? 0.4144 0.2098 0.3254 0.0435 0.0179 0.0787 117 TRP A CA 886 C C . TRP A 117 ? 0.3852 0.1893 0.2987 0.0488 0.0169 0.0736 117 TRP A C 887 O O . TRP A 117 ? 0.3949 0.2018 0.3064 0.0561 0.0159 0.0738 117 TRP A O 888 C CB . TRP A 117 ? 0.4761 0.2588 0.3865 0.0440 0.0166 0.0779 117 TRP A CB 889 C CG . TRP A 117 ? 0.6390 0.4193 0.5529 0.0432 0.0159 0.0710 117 TRP A CG 890 C CD1 . TRP A 117 ? 0.6874 0.4667 0.6009 0.0498 0.0153 0.0668 117 TRP A CD1 891 C CD2 . TRP A 117 ? 0.6335 0.4121 0.5504 0.0361 0.0161 0.0680 117 TRP A CD2 892 N NE1 . TRP A 117 ? 0.6424 0.4189 0.5571 0.0472 0.0156 0.0615 117 TRP A NE1 893 C CE2 . TRP A 117 ? 0.6207 0.3965 0.5373 0.0388 0.0156 0.0621 117 TRP A CE2 894 C CE3 . TRP A 117 ? 0.6097 0.3885 0.5287 0.0282 0.0168 0.0702 117 TRP A CE3 895 C CZ2 . TRP A 117 ? 0.6138 0.3867 0.5310 0.0338 0.0153 0.0583 117 TRP A CZ2 896 C CZ3 . TRP A 117 ? 0.5560 0.3324 0.4772 0.0233 0.0162 0.0663 117 TRP A CZ3 897 C CH2 . TRP A 117 ? 0.5630 0.3362 0.4827 0.0262 0.0152 0.0604 117 TRP A CH2 898 N N . ILE A 118 ? 0.3563 0.1646 0.2744 0.0450 0.0172 0.0695 118 ILE A N 899 C CA . ILE A 118 ? 0.4373 0.2518 0.3583 0.0485 0.0166 0.0651 118 ILE A CA 900 C C . ILE A 118 ? 0.5151 0.3253 0.4381 0.0460 0.0164 0.0608 118 ILE A C 901 O O . ILE A 118 ? 0.6026 0.4121 0.5276 0.0403 0.0164 0.0596 118 ILE A O 902 C CB . ILE A 118 ? 0.4001 0.2224 0.3232 0.0472 0.0170 0.0644 118 ILE A CB 903 C CG1 . ILE A 118 ? 0.2985 0.1240 0.2168 0.0505 0.0177 0.0684 118 ILE A CG1 904 C CG2 . ILE A 118 ? 0.2873 0.1140 0.2136 0.0498 0.0165 0.0607 118 ILE A CG2 905 C CD1 . ILE A 118 ? 0.2923 0.1227 0.2112 0.0502 0.0187 0.0676 118 ILE A CD1 906 N N . TYR A 119 ? 0.4686 0.2759 0.3903 0.0513 0.0165 0.0588 119 TYR A N 907 C CA . TYR A 119 ? 0.4471 0.2485 0.3676 0.0505 0.0172 0.0549 119 TYR A CA 908 C C . TYR A 119 ? 0.4232 0.2299 0.3456 0.0481 0.0179 0.0525 119 TYR A C 909 O O . TYR A 119 ? 0.4000 0.2150 0.3257 0.0486 0.0180 0.0533 119 TYR A O 910 C CB . TYR A 119 ? 0.3656 0.1617 0.2830 0.0586 0.0181 0.0534 119 TYR A CB 911 C CG . TYR A 119 ? 0.3437 0.1487 0.2630 0.0662 0.0189 0.0538 119 TYR A CG 912 C CD1 . TYR A 119 ? 0.4135 0.2247 0.3351 0.0665 0.0207 0.0523 119 TYR A CD1 913 C CD2 . TYR A 119 ? 0.4195 0.2263 0.3386 0.0734 0.0179 0.0564 119 TYR A CD2 914 C CE1 . TYR A 119 ? 0.4927 0.3118 0.4172 0.0735 0.0218 0.0533 119 TYR A CE1 915 C CE2 . TYR A 119 ? 0.5051 0.3213 0.4268 0.0812 0.0181 0.0570 119 TYR A CE2 916 C CZ . TYR A 119 ? 0.4798 0.3022 0.4049 0.0812 0.0202 0.0554 119 TYR A CZ 917 O OH . TYR A 119 ? 0.3458 0.1830 0.2776 0.0865 0.0199 0.0548 119 TYR A OH 918 N N . GLY A 120 ? 0.4520 0.2522 0.3713 0.0455 0.0182 0.0499 120 GLY A N 919 C CA . GLY A 120 ? 0.5169 0.3200 0.4357 0.0439 0.0190 0.0486 120 GLY A CA 920 C C . GLY A 120 ? 0.5060 0.3059 0.4198 0.0499 0.0222 0.0468 120 GLY A C 921 O O . GLY A 120 ? 0.4765 0.2742 0.3891 0.0565 0.0235 0.0463 120 GLY A O 922 N N . GLY A 121 ? 0.5243 0.3237 0.4348 0.0485 0.0236 0.0466 121 GLY A N 923 C CA . GLY A 121 ? 0.4574 0.2586 0.3645 0.0530 0.0275 0.0449 121 GLY A CA 924 C C . GLY A 121 ? 0.4631 0.2773 0.3758 0.0499 0.0288 0.0467 121 GLY A C 925 O O . GLY A 121 ? 0.4080 0.2326 0.3250 0.0527 0.0319 0.0462 121 GLY A O 926 N N . GLY A 122 ? 0.4099 0.2236 0.3233 0.0441 0.0265 0.0490 122 GLY A N 927 C CA . GLY A 122 ? 0.3610 0.1823 0.2783 0.0402 0.0272 0.0514 122 GLY A CA 928 C C . GLY A 122 ? 0.4627 0.2938 0.3899 0.0400 0.0279 0.0524 122 GLY A C 929 O O . GLY A 122 ? 0.6037 0.4401 0.5344 0.0362 0.0291 0.0543 122 GLY A O 930 N N . PHE A 123 ? 0.3693 0.2025 0.3006 0.0436 0.0268 0.0514 123 PHE A N 931 C CA . PHE A 123 ? 0.4061 0.2504 0.3465 0.0442 0.0267 0.0510 123 PHE A CA 932 C C . PHE A 123 ? 0.5359 0.3914 0.4802 0.0461 0.0305 0.0499 123 PHE A C 933 O O . PHE A 123 ? 0.5365 0.4040 0.4901 0.0453 0.0305 0.0494 123 PHE A O 934 C CB . PHE A 123 ? 0.3445 0.1908 0.2903 0.0386 0.0248 0.0520 123 PHE A CB 935 C CG . PHE A 123 ? 0.3697 0.2082 0.3133 0.0376 0.0216 0.0526 123 PHE A CG 936 C CD1 . PHE A 123 ? 0.4584 0.2974 0.4025 0.0406 0.0197 0.0519 123 PHE A CD1 937 C CD2 . PHE A 123 ? 0.4079 0.2400 0.3489 0.0342 0.0207 0.0543 123 PHE A CD2 938 C CE1 . PHE A 123 ? 0.4884 0.3228 0.4310 0.0396 0.0178 0.0524 123 PHE A CE1 939 C CE2 . PHE A 123 ? 0.4075 0.2363 0.3486 0.0337 0.0179 0.0542 123 PHE A CE2 940 C CZ . PHE A 123 ? 0.4851 0.3161 0.4275 0.0360 0.0168 0.0530 123 PHE A CZ 941 N N . TYR A 124 ? 0.5234 0.3762 0.4611 0.0484 0.0338 0.0491 124 TYR A N 942 C CA . TYR A 124 ? 0.4526 0.3175 0.3936 0.0516 0.0384 0.0475 124 TYR A CA 943 C C . TYR A 124 ? 0.5430 0.4062 0.4813 0.0612 0.0392 0.0444 124 TYR A C 944 O O . TYR A 124 ? 0.6171 0.4931 0.5609 0.0662 0.0423 0.0426 124 TYR A O 945 C CB . TYR A 124 ? 0.4407 0.3070 0.3763 0.0478 0.0428 0.0486 124 TYR A CB 946 C CG . TYR A 124 ? 0.5086 0.3624 0.4304 0.0502 0.0432 0.0468 124 TYR A CG 947 C CD1 . TYR A 124 ? 0.5253 0.3791 0.4417 0.0575 0.0464 0.0425 124 TYR A CD1 948 C CD2 . TYR A 124 ? 0.4207 0.2633 0.3351 0.0454 0.0401 0.0487 124 TYR A CD2 949 C CE1 . TYR A 124 ? 0.3252 0.1667 0.2284 0.0590 0.0461 0.0395 124 TYR A CE1 950 C CE2 . TYR A 124 ? 0.4523 0.2849 0.3546 0.0468 0.0395 0.0463 124 TYR A CE2 951 C CZ . TYR A 124 ? 0.4528 0.2842 0.3491 0.0530 0.0424 0.0414 124 TYR A CZ 952 O OH . TYR A 124 ? 0.4173 0.2376 0.3009 0.0535 0.0411 0.0379 124 TYR A OH 953 N N . SER A 125 ? 0.3003 0.1477 0.2306 0.0636 0.0363 0.0439 125 SER A N 954 C CA . SER A 125 ? 0.3771 0.2179 0.3032 0.0727 0.0367 0.0414 125 SER A CA 955 C C . SER A 125 ? 0.4450 0.2716 0.3674 0.0738 0.0325 0.0432 125 SER A C 956 O O . SER A 125 ? 0.5241 0.3463 0.4461 0.0673 0.0298 0.0457 125 SER A O 957 C CB . SER A 125 ? 0.4192 0.2517 0.3351 0.0747 0.0398 0.0376 125 SER A CB 958 O OG . SER A 125 ? 0.4040 0.2216 0.3112 0.0689 0.0371 0.0379 125 SER A OG 959 N N . GLY A 126 ? 0.4371 0.2563 0.3566 0.0822 0.0322 0.0423 126 GLY A N 960 C CA . GLY A 126 ? 0.3829 0.1860 0.2970 0.0831 0.0291 0.0449 126 GLY A CA 961 C C . GLY A 126 ? 0.5172 0.3232 0.4343 0.0916 0.0274 0.0470 126 GLY A C 962 O O . GLY A 126 ? 0.5107 0.3332 0.4358 0.0960 0.0274 0.0473 126 GLY A O 963 N N . ALA A 127 ? 0.6084 0.4055 0.5226 0.0907 0.0246 0.0471 127 ALA A N 964 C CA . ALA A 127 ? 0.5898 0.3897 0.5060 0.0975 0.0221 0.0500 127 ALA A CA 965 C C . ALA A 127 ? 0.6034 0.3928 0.5164 0.0919 0.0191 0.0525 127 ALA A C 966 O O . ALA A 127 ? 0.5538 0.3307 0.4630 0.0869 0.0193 0.0504 127 ALA A O 967 C CB . ALA A 127 ? 0.3606 0.1610 0.2771 0.1101 0.0237 0.0475 127 ALA A CB 968 N N . SER A 128 ? 0.6556 0.4500 0.5697 0.0932 0.0166 0.0574 128 SER A N 969 C CA . SER A 128 ? 0.6062 0.3914 0.5171 0.0888 0.0146 0.0616 128 SER A CA 970 C C . SER A 128 ? 0.5827 0.3544 0.4904 0.0946 0.0140 0.0614 128 SER A C 971 O O . SER A 128 ? 0.6313 0.3917 0.5362 0.0907 0.0129 0.0650 128 SER A O 972 C CB . SER A 128 ? 0.5649 0.3590 0.4755 0.0910 0.0125 0.0672 128 SER A CB 973 O OG . SER A 128 ? 0.5859 0.3876 0.4979 0.1026 0.0112 0.0676 128 SER A OG 974 N N . SER A 129 ? 0.5032 0.2759 0.4116 0.1043 0.0152 0.0575 129 SER A N 975 C CA . SER A 129 ? 0.5362 0.2961 0.4418 0.1119 0.0147 0.0564 129 SER A CA 976 C C . SER A 129 ? 0.5653 0.3083 0.4668 0.1080 0.0162 0.0511 129 SER A C 977 O O . SER A 129 ? 0.6004 0.3285 0.4990 0.1118 0.0153 0.0507 129 SER A O 978 C CB . SER A 129 ? 0.5636 0.3337 0.4725 0.1260 0.0152 0.0542 129 SER A CB 979 O OG . SER A 129 ? 0.5636 0.3451 0.4757 0.1272 0.0185 0.0495 129 SER A OG 980 N N . LEU A 130 ? 0.5684 0.3133 0.4693 0.1008 0.0181 0.0471 130 LEU A N 981 C CA . LEU A 130 ? 0.5620 0.2920 0.4576 0.0975 0.0193 0.0411 130 LEU A CA 982 C C . LEU A 130 ? 0.6154 0.3277 0.5089 0.0912 0.0170 0.0431 130 LEU A C 983 O O . LEU A 130 ? 0.6485 0.3623 0.5446 0.0835 0.0153 0.0492 130 LEU A O 984 C CB . LEU A 130 ? 0.4074 0.1428 0.3022 0.0894 0.0208 0.0384 130 LEU A CB 985 C CG . LEU A 130 ? 0.5020 0.2529 0.3989 0.0945 0.0238 0.0371 130 LEU A CG 986 C CD1 . LEU A 130 ? 0.4579 0.2112 0.3527 0.0864 0.0251 0.0353 130 LEU A CD1 987 C CD2 . LEU A 130 ? 0.5597 0.3094 0.4540 0.1073 0.0269 0.0321 130 LEU A CD2 988 N N . ASP A 131 ? 0.6213 0.3165 0.5099 0.0948 0.0172 0.0379 131 ASP A N 989 C CA . ASP A 131 ? 0.6196 0.2952 0.5066 0.0907 0.0150 0.0397 131 ASP A CA 990 C C . ASP A 131 ? 0.5711 0.2424 0.4591 0.0763 0.0139 0.0418 131 ASP A C 991 O O . ASP A 131 ? 0.5035 0.1619 0.3923 0.0708 0.0124 0.0461 131 ASP A O 992 C CB . ASP A 131 ? 0.6815 0.3389 0.5626 0.0971 0.0156 0.0316 131 ASP A CB 993 C CG . ASP A 131 ? 0.8571 0.5189 0.7381 0.1127 0.0169 0.0293 131 ASP A CG 994 O OD1 . ASP A 131 ? 0.9115 0.5916 0.7972 0.1179 0.0173 0.0336 131 ASP A OD1 995 O OD2 . ASP A 131 ? 0.9384 0.5860 0.8152 0.1199 0.0174 0.0229 131 ASP A OD2 996 N N . VAL A 132 ? 0.5258 0.2080 0.4142 0.0705 0.0148 0.0393 132 VAL A N 997 C CA . VAL A 132 ? 0.5783 0.2587 0.4684 0.0577 0.0138 0.0406 132 VAL A CA 998 C C . VAL A 132 ? 0.8114 0.5062 0.7080 0.0529 0.0135 0.0492 132 VAL A C 999 O O . VAL A 132 ? 0.9402 0.6350 0.8397 0.0429 0.0129 0.0522 132 VAL A O 1000 C CB . VAL A 132 ? 0.5400 0.2246 0.4264 0.0545 0.0145 0.0342 132 VAL A CB 1001 C CG1 . VAL A 132 ? 0.4201 0.1251 0.3093 0.0583 0.0162 0.0358 132 VAL A CG1 1002 C CG2 . VAL A 132 ? 0.5617 0.2424 0.4494 0.0419 0.0128 0.0347 132 VAL A CG2 1003 N N . TYR A 133 ? 0.8319 0.5386 0.7303 0.0605 0.0139 0.0528 133 TYR A N 1004 C CA . TYR A 133 ? 0.7534 0.4733 0.6557 0.0576 0.0136 0.0600 133 TYR A CA 1005 C C . TYR A 133 ? 0.8260 0.5396 0.7270 0.0613 0.0126 0.0669 133 TYR A C 1006 O O . TYR A 133 ? 0.8595 0.5839 0.7609 0.0631 0.0124 0.0724 133 TYR A O 1007 C CB . TYR A 133 ? 0.6841 0.4225 0.5884 0.0627 0.0145 0.0590 133 TYR A CB 1008 C CG . TYR A 133 ? 0.6193 0.3647 0.5245 0.0595 0.0156 0.0537 133 TYR A CG 1009 C CD1 . TYR A 133 ? 0.6513 0.3936 0.5571 0.0500 0.0153 0.0525 133 TYR A CD1 1010 C CD2 . TYR A 133 ? 0.5406 0.2954 0.4459 0.0662 0.0171 0.0505 133 TYR A CD2 1011 C CE1 . TYR A 133 ? 0.7123 0.4601 0.6178 0.0477 0.0160 0.0484 133 TYR A CE1 1012 C CE2 . TYR A 133 ? 0.5369 0.2966 0.4419 0.0633 0.0184 0.0469 133 TYR A CE2 1013 C CZ . TYR A 133 ? 0.6591 0.4150 0.5636 0.0543 0.0176 0.0459 133 TYR A CZ 1014 O OH . TYR A 133 ? 0.6690 0.4289 0.5720 0.0520 0.0185 0.0430 133 TYR A OH 1015 N N . ASP A 134 ? 0.8610 0.5559 0.7594 0.0626 0.0119 0.0667 134 ASP A N 1016 C CA . ASP A 134 ? 0.8609 0.5463 0.7573 0.0659 0.0106 0.0742 134 ASP A CA 1017 C C . ASP A 134 ? 0.8240 0.5069 0.7214 0.0551 0.0109 0.0820 134 ASP A C 1018 O O . ASP A 134 ? 0.7447 0.4187 0.6439 0.0455 0.0113 0.0809 134 ASP A O 1019 C CB . ASP A 134 ? 0.9447 0.6086 0.8383 0.0704 0.0099 0.0710 134 ASP A CB 1020 C CG . ASP A 134 ? 1.0224 0.6772 0.9136 0.0779 0.0083 0.0780 134 ASP A CG 1021 O OD1 . ASP A 134 ? 1.0415 0.7091 0.9321 0.0832 0.0077 0.0835 134 ASP A OD1 1022 O OD2 . ASP A 134 ? 1.0575 0.6912 0.9469 0.0789 0.0075 0.0780 134 ASP A OD2 1023 N N . GLY A 135 ? 0.8388 0.5299 0.7343 0.0568 0.0107 0.0900 135 GLY A N 1024 C CA . GLY A 135 ? 0.7390 0.4306 0.6342 0.0472 0.0118 0.0980 135 GLY A CA 1025 C C . GLY A 135 ? 0.6893 0.3619 0.5820 0.0437 0.0114 0.1060 135 GLY A C 1026 O O . GLY A 135 ? 0.7280 0.4004 0.6201 0.0352 0.0129 0.1136 135 GLY A O 1027 N N . ARG A 136 ? 0.6423 0.2984 0.5335 0.0501 0.0098 0.1046 136 ARG A N 1028 C CA . ARG A 136 ? 0.7556 0.3923 0.6441 0.0482 0.0091 0.1133 136 ARG A CA 1029 C C . ARG A 136 ? 0.8790 0.5033 0.7710 0.0339 0.0106 0.1163 136 ARG A C 1030 O O . ARG A 136 ? 0.9644 0.5811 0.8545 0.0285 0.0112 0.1270 136 ARG A O 1031 C CB . ARG A 136 ? 0.7418 0.3618 0.6281 0.0590 0.0070 0.1106 136 ARG A CB 1032 C CG . ARG A 136 ? 0.6606 0.2677 0.5499 0.0579 0.0070 0.1000 136 ARG A CG 1033 C CD . ARG A 136 ? 0.6503 0.2392 0.5368 0.0691 0.0053 0.0979 136 ARG A CD 1034 N NE . ARG A 136 ? 0.6408 0.2418 0.5261 0.0825 0.0049 0.0914 136 ARG A NE 1035 C CZ . ARG A 136 ? 0.7604 0.3509 0.6435 0.0951 0.0035 0.0897 136 ARG A CZ 1036 N NH1 . ARG A 136 ? 0.7601 0.3264 0.6414 0.0960 0.0023 0.0940 136 ARG A NH1 1037 N NH2 . ARG A 136 ? 0.8558 0.4599 0.7390 0.1069 0.0036 0.0840 136 ARG A NH2 1038 N N . PHE A 137 ? 0.8089 0.4317 0.7060 0.0277 0.0111 0.1075 137 PHE A N 1039 C CA . PHE A 137 ? 0.7715 0.3826 0.6731 0.0139 0.0123 0.1094 137 PHE A CA 1040 C C . PHE A 137 ? 0.7502 0.3768 0.6543 0.0037 0.0149 0.1162 137 PHE A C 1041 O O . PHE A 137 ? 0.7613 0.3806 0.6672 -0.0062 0.0166 0.1248 137 PHE A O 1042 C CB . PHE A 137 ? 0.7118 0.3169 0.6166 0.0104 0.0118 0.0973 137 PHE A CB 1043 C CG . PHE A 137 ? 0.7450 0.3368 0.6459 0.0209 0.0099 0.0889 137 PHE A CG 1044 C CD1 . PHE A 137 ? 0.8627 0.4290 0.7626 0.0211 0.0089 0.0892 137 PHE A CD1 1045 C CD2 . PHE A 137 ? 0.7987 0.4030 0.6973 0.0307 0.0095 0.0807 137 PHE A CD2 1046 C CE1 . PHE A 137 ? 0.9560 0.5097 0.8518 0.0317 0.0075 0.0809 137 PHE A CE1 1047 C CE2 . PHE A 137 ? 0.9423 0.5354 0.8370 0.0408 0.0084 0.0731 137 PHE A CE2 1048 C CZ . PHE A 137 ? 1.0050 0.5727 0.8980 0.0417 0.0074 0.0728 137 PHE A CZ 1049 N N . LEU A 138 ? 0.7167 0.3647 0.6210 0.0063 0.0155 0.1123 138 LEU A N 1050 C CA . LEU A 138 ? 0.6679 0.3324 0.5739 -0.0014 0.0182 0.1170 138 LEU A CA 1051 C C . LEU A 138 ? 0.6534 0.3213 0.5532 -0.0011 0.0199 0.1292 138 LEU A C 1052 O O . LEU A 138 ? 0.5719 0.2441 0.4723 -0.0109 0.0231 0.1367 138 LEU A O 1053 C CB . LEU A 138 ? 0.5467 0.2308 0.4533 0.0040 0.0181 0.1095 138 LEU A CB 1054 C CG . LEU A 138 ? 0.4666 0.1672 0.3756 -0.0030 0.0210 0.1116 138 LEU A CG 1055 C CD1 . LEU A 138 ? 0.6136 0.3083 0.5293 -0.0160 0.0223 0.1112 138 LEU A CD1 1056 C CD2 . LEU A 138 ? 0.4409 0.1575 0.3506 0.0035 0.0204 0.1039 138 LEU A CD2 1057 N N . VAL A 139 ? 0.6627 0.3291 0.5559 0.0102 0.0180 0.1312 139 VAL A N 1058 C CA . VAL A 139 ? 0.6519 0.3201 0.5368 0.0122 0.0190 0.1425 139 VAL A CA 1059 C C . VAL A 139 ? 0.6723 0.3203 0.5560 0.0054 0.0193 0.1525 139 VAL A C 1060 O O . VAL A 139 ? 0.6273 0.2775 0.5075 -0.0024 0.0223 0.1627 139 VAL A O 1061 C CB . VAL A 139 ? 0.6622 0.3354 0.5408 0.0268 0.0164 0.1413 139 VAL A CB 1062 C CG1 . VAL A 139 ? 0.5561 0.2270 0.4247 0.0295 0.0167 0.1534 139 VAL A CG1 1063 C CG2 . VAL A 139 ? 0.5242 0.2189 0.4040 0.0315 0.0169 0.1336 139 VAL A CG2 1064 N N . GLN A 140 ? 0.7584 0.3866 0.6451 0.0080 0.0167 0.1496 140 GLN A N 1065 C CA . GLN A 140 ? 0.6223 0.2282 0.5095 0.0012 0.0169 0.1584 140 GLN A CA 1066 C C . GLN A 140 ? 0.6871 0.2923 0.5816 -0.0155 0.0204 0.1619 140 GLN A C 1067 O O . GLN A 140 ? 0.6480 0.2458 0.5411 -0.0237 0.0225 0.1739 140 GLN A O 1068 C CB . GLN A 140 ? 0.6393 0.2235 0.5292 0.0071 0.0140 0.1516 140 GLN A CB 1069 C CG . GLN A 140 ? 0.6999 0.2582 0.5884 0.0047 0.0134 0.1613 140 GLN A CG 1070 C CD . GLN A 140 ? 0.7401 0.2878 0.6359 -0.0121 0.0163 0.1662 140 GLN A CD 1071 O OE1 . GLN A 140 ? 0.6813 0.2326 0.5851 -0.0202 0.0175 0.1576 140 GLN A OE1 1072 N NE2 . GLN A 140 ? 0.8044 0.3395 0.6976 -0.0176 0.0174 0.1804 140 GLN A NE2 1073 N N . ALA A 141 ? 0.7075 0.3203 0.6098 -0.0207 0.0211 0.1518 141 ALA A N 1074 C CA . ALA A 141 ? 0.6847 0.2969 0.5959 -0.0365 0.0243 0.1537 141 ALA A CA 1075 C C . ALA A 141 ? 0.7203 0.3525 0.6304 -0.0443 0.0286 0.1621 141 ALA A C 1076 O O . ALA A 141 ? 0.7950 0.4244 0.7085 -0.0564 0.0321 0.1718 141 ALA A O 1077 C CB . ALA A 141 ? 0.6624 0.2756 0.5812 -0.0392 0.0233 0.1399 141 ALA A CB 1078 N N . GLU A 142 ? 0.6838 0.3362 0.5890 -0.0374 0.0289 0.1582 142 GLU A N 1079 C CA . GLU A 142 ? 0.6861 0.3581 0.5893 -0.0440 0.0337 0.1638 142 GLU A CA 1080 C C . GLU A 142 ? 0.7578 0.4367 0.6474 -0.0383 0.0356 0.1733 142 GLU A C 1081 O O . GLU A 142 ? 0.7031 0.3972 0.5884 -0.0432 0.0408 0.1784 142 GLU A O 1082 C CB . GLU A 142 ? 0.6342 0.3237 0.5412 -0.0418 0.0342 0.1533 142 GLU A CB 1083 C CG . GLU A 142 ? 0.6904 0.3760 0.6097 -0.0506 0.0336 0.1456 142 GLU A CG 1084 C CD . GLU A 142 ? 0.8137 0.4986 0.7413 -0.0672 0.0380 0.1531 142 GLU A CD 1085 O OE1 . GLU A 142 ? 0.7848 0.4812 0.7086 -0.0728 0.0428 0.1627 142 GLU A OE1 1086 O OE2 . GLU A 142 ? 0.9321 0.6052 0.8697 -0.0750 0.0373 0.1488 142 GLU A OE2 1087 N N . ARG A 143 ? 0.8359 0.5034 0.7185 -0.0278 0.0319 0.1753 143 ARG A N 1088 C CA . ARG A 143 ? 0.7583 0.4302 0.6272 -0.0208 0.0327 0.1839 143 ARG A CA 1089 C C . ARG A 143 ? 0.6661 0.3615 0.5296 -0.0162 0.0360 0.1808 143 ARG A C 1090 O O . ARG A 143 ? 0.6229 0.3289 0.4797 -0.0215 0.0415 0.1882 143 ARG A O 1091 C CB . ARG A 143 ? 0.7544 0.4162 0.6177 -0.0303 0.0355 0.1989 143 ARG A CB 1092 C CG . ARG A 143 ? 0.8355 0.4714 0.7011 -0.0295 0.0314 0.2034 143 ARG A CG 1093 C CD . ARG A 143 ? 1.0087 0.6336 0.8672 -0.0377 0.0336 0.2199 143 ARG A CD 1094 N NE . ARG A 143 ? 1.1023 0.7313 0.9441 -0.0286 0.0334 0.2280 143 ARG A NE 1095 C CZ . ARG A 143 ? 1.1326 0.7498 0.9681 -0.0156 0.0285 0.2294 143 ARG A CZ 1096 N NH1 . ARG A 143 ? 1.0848 0.6852 0.9288 -0.0098 0.0239 0.2227 143 ARG A NH1 1097 N NH2 . ARG A 143 ? 1.1398 0.7625 0.9601 -0.0079 0.0284 0.2371 143 ARG A NH2 1098 N N . THR A 144 ? 0.6737 0.3771 0.5406 -0.0066 0.0332 0.1694 144 THR A N 1099 C CA . THR A 144 ? 0.7228 0.4465 0.5857 0.0004 0.0352 0.1652 144 THR A CA 1100 C C . THR A 144 ? 0.6633 0.3878 0.5244 0.0145 0.0301 0.1586 144 THR A C 1101 O O . THR A 144 ? 0.6951 0.4059 0.5592 0.0183 0.0258 0.1563 144 THR A O 1102 C CB . THR A 144 ? 0.7539 0.4895 0.6262 -0.0046 0.0376 0.1568 144 THR A CB 1103 O OG1 . THR A 144 ? 0.6336 0.3670 0.5131 0.0014 0.0327 0.1456 144 THR A OG1 1104 C CG2 . THR A 144 ? 0.8070 0.5377 0.6865 -0.0197 0.0409 0.1604 144 THR A CG2 1105 N N . VAL A 145 ? 0.6644 0.4052 0.5210 0.0224 0.0309 0.1556 145 VAL A N 1106 C CA . VAL A 145 ? 0.6673 0.4115 0.5229 0.0351 0.0263 0.1496 145 VAL A CA 1107 C C . VAL A 145 ? 0.6400 0.3925 0.5053 0.0367 0.0251 0.1375 145 VAL A C 1108 O O . VAL A 145 ? 0.7100 0.4733 0.5784 0.0325 0.0283 0.1344 145 VAL A O 1109 C CB . VAL A 145 ? 0.6719 0.4281 0.5158 0.0437 0.0267 0.1541 145 VAL A CB 1110 C CG1 . VAL A 145 ? 0.4857 0.2454 0.3297 0.0562 0.0214 0.1485 145 VAL A CG1 1111 C CG2 . VAL A 145 ? 0.5208 0.2687 0.3538 0.0417 0.0279 0.1668 145 VAL A CG2 1112 N N . LEU A 146 ? 0.5581 0.3051 0.4280 0.0429 0.0209 0.1312 146 LEU A N 1113 C CA . LEU A 146 ? 0.4862 0.2389 0.3648 0.0439 0.0197 0.1204 146 LEU A CA 1114 C C . LEU A 146 ? 0.4636 0.2249 0.3408 0.0556 0.0168 0.1162 146 LEU A C 1115 O O . LEU A 146 ? 0.4667 0.2220 0.3405 0.0631 0.0142 0.1187 146 LEU A O 1116 C CB . LEU A 146 ? 0.5838 0.3220 0.4691 0.0399 0.0181 0.1163 146 LEU A CB 1117 C CG . LEU A 146 ? 0.5825 0.3223 0.4761 0.0377 0.0174 0.1062 146 LEU A CG 1118 C CD1 . LEU A 146 ? 0.5294 0.2768 0.4246 0.0474 0.0154 0.0988 146 LEU A CD1 1119 C CD2 . LEU A 146 ? 0.5767 0.3261 0.4742 0.0297 0.0199 0.1046 146 LEU A CD2 1120 N N . VAL A 147 ? 0.5244 0.2994 0.4047 0.0571 0.0173 0.1102 147 VAL A N 1121 C CA . VAL A 147 ? 0.5892 0.3735 0.4698 0.0669 0.0147 0.1059 147 VAL A CA 1122 C C . VAL A 147 ? 0.5219 0.3107 0.4113 0.0655 0.0145 0.0968 147 VAL A C 1123 O O . VAL A 147 ? 0.5187 0.3105 0.4119 0.0584 0.0166 0.0942 147 VAL A O 1124 C CB . VAL A 147 ? 0.6805 0.4781 0.5545 0.0712 0.0151 0.1084 147 VAL A CB 1125 C CG1 . VAL A 147 ? 0.3923 0.1989 0.2666 0.0816 0.0114 0.1048 147 VAL A CG1 1126 C CG2 . VAL A 147 ? 0.4161 0.2107 0.2796 0.0711 0.0164 0.1182 147 VAL A CG2 1127 N N . SER A 148 ? 0.5659 0.3554 0.4583 0.0725 0.0123 0.0924 148 SER A N 1128 C CA . SER A 148 ? 0.5470 0.3419 0.4465 0.0721 0.0125 0.0845 148 SER A CA 1129 C C . SER A 148 ? 0.5040 0.3098 0.4040 0.0816 0.0105 0.0828 148 SER A C 1130 O O . SER A 148 ? 0.5363 0.3439 0.4318 0.0894 0.0084 0.0868 148 SER A O 1131 C CB . SER A 148 ? 0.5262 0.3101 0.4288 0.0711 0.0125 0.0806 148 SER A CB 1132 O OG . SER A 148 ? 0.4967 0.2757 0.3975 0.0803 0.0108 0.0814 148 SER A OG 1133 N N . MET A 149 ? 0.4949 0.3083 0.4003 0.0814 0.0110 0.0774 149 MET A N 1134 C CA . MET A 149 ? 0.5025 0.3267 0.4098 0.0903 0.0091 0.0760 149 MET A CA 1135 C C . MET A 149 ? 0.5567 0.3844 0.4709 0.0909 0.0103 0.0703 149 MET A C 1136 O O . MET A 149 ? 0.5474 0.3722 0.4642 0.0832 0.0125 0.0671 149 MET A O 1137 C CB . MET A 149 ? 0.3815 0.2153 0.2855 0.0916 0.0077 0.0780 149 MET A CB 1138 C CG . MET A 149 ? 0.3505 0.1885 0.2589 0.0865 0.0091 0.0738 149 MET A CG 1139 S SD . MET A 149 ? 0.4642 0.2946 0.3738 0.0741 0.0126 0.0728 149 MET A SD 1140 C CE . MET A 149 ? 0.3183 0.1533 0.2211 0.0740 0.0130 0.0760 149 MET A CE 1141 N N . ASN A 150 ? 0.4989 0.3343 0.4162 0.1007 0.0089 0.0695 150 ASN A N 1142 C CA . ASN A 150 ? 0.4180 0.2596 0.3420 0.1029 0.0107 0.0655 150 ASN A CA 1143 C C . ASN A 150 ? 0.3593 0.2164 0.2898 0.0961 0.0094 0.0624 150 ASN A C 1144 O O . ASN A 150 ? 0.4218 0.2862 0.3505 0.0965 0.0061 0.0637 150 ASN A O 1145 C CB . ASN A 150 ? 0.3316 0.1828 0.2607 0.1142 0.0096 0.0644 150 ASN A CB 1146 C CG . ASN A 150 ? 0.5372 0.3759 0.4635 0.1176 0.0117 0.0631 150 ASN A CG 1147 O OD1 . ASN A 150 ? 0.4592 0.2840 0.3809 0.1096 0.0131 0.0625 150 ASN A OD1 1148 N ND2 . ASN A 150 ? 0.5841 0.4302 0.5149 0.1292 0.0115 0.0618 150 ASN A ND2 1149 N N . TYR A 151 ? 0.3254 0.1863 0.2623 0.0893 0.0118 0.0580 151 TYR A N 1150 C CA . TYR A 151 ? 0.3993 0.2738 0.3439 0.0824 0.0105 0.0543 151 TYR A CA 1151 C C . TYR A 151 ? 0.5366 0.4199 0.4905 0.0794 0.0131 0.0505 151 TYR A C 1152 O O . TYR A 151 ? 0.6524 0.5280 0.6041 0.0801 0.0167 0.0505 151 TYR A O 1153 C CB . TYR A 151 ? 0.3544 0.2204 0.2948 0.0746 0.0110 0.0548 151 TYR A CB 1154 C CG . TYR A 151 ? 0.4504 0.3033 0.3881 0.0695 0.0145 0.0552 151 TYR A CG 1155 C CD1 . TYR A 151 ? 0.4984 0.3360 0.4278 0.0705 0.0159 0.0587 151 TYR A CD1 1156 C CD2 . TYR A 151 ? 0.4404 0.2961 0.3834 0.0633 0.0160 0.0524 151 TYR A CD2 1157 C CE1 . TYR A 151 ? 0.4926 0.3226 0.4212 0.0643 0.0176 0.0574 151 TYR A CE1 1158 C CE2 . TYR A 151 ? 0.4314 0.2763 0.3708 0.0592 0.0183 0.0529 151 TYR A CE2 1159 C CZ . TYR A 151 ? 0.4564 0.2881 0.3882 0.0603 0.0190 0.0553 151 TYR A CZ 1160 O OH . TYR A 151 ? 0.3912 0.2178 0.3217 0.0547 0.0196 0.0539 151 TYR A OH 1161 N N . ARG A 152 ? 0.4903 0.3900 0.4541 0.0758 0.0113 0.0472 152 ARG A N 1162 C CA . ARG A 152 ? 0.4580 0.3686 0.4315 0.0724 0.0143 0.0446 152 ARG A CA 1163 C C . ARG A 152 ? 0.4811 0.3810 0.4519 0.0646 0.0183 0.0450 152 ARG A C 1164 O O . ARG A 152 ? 0.5307 0.4213 0.4978 0.0589 0.0173 0.0455 152 ARG A O 1165 C CB . ARG A 152 ? 0.4649 0.3946 0.4503 0.0684 0.0111 0.0412 152 ARG A CB 1166 C CG . ARG A 152 ? 0.5133 0.4596 0.5041 0.0769 0.0071 0.0403 152 ARG A CG 1167 C CD . ARG A 152 ? 0.5139 0.4780 0.5152 0.0715 0.0023 0.0359 152 ARG A CD 1168 N NE . ARG A 152 ? 0.4717 0.4284 0.4654 0.0691 -0.0021 0.0350 152 ARG A NE 1169 C CZ . ARG A 152 ? 0.3463 0.3123 0.3458 0.0629 -0.0065 0.0301 152 ARG A CZ 1170 N NH1 . ARG A 152 ? 0.3627 0.3457 0.3767 0.0574 -0.0073 0.0262 152 ARG A NH1 1171 N NH2 . ARG A 152 ? 0.3614 0.3202 0.3524 0.0620 -0.0098 0.0286 152 ARG A NH2 1172 N N . VAL A 153 ? 0.5257 0.4278 0.4981 0.0652 0.0228 0.0447 153 VAL A N 1173 C CA . VAL A 153 ? 0.5570 0.4495 0.5249 0.0590 0.0264 0.0456 153 VAL A CA 1174 C C . VAL A 153 ? 0.4885 0.3948 0.4650 0.0544 0.0302 0.0449 153 VAL A C 1175 O O . VAL A 153 ? 0.4556 0.3795 0.4422 0.0568 0.0307 0.0432 153 VAL A O 1176 C CB . VAL A 153 ? 0.2800 0.1589 0.2374 0.0639 0.0287 0.0462 153 VAL A CB 1177 C CG1 . VAL A 153 ? 0.2813 0.1441 0.2301 0.0638 0.0258 0.0480 153 VAL A CG1 1178 C CG2 . VAL A 153 ? 0.2864 0.1716 0.2453 0.0739 0.0300 0.0447 153 VAL A CG2 1179 N N . GLY A 154 ? 0.3771 0.2764 0.3500 0.0476 0.0330 0.0466 154 GLY A N 1180 C CA . GLY A 154 ? 0.4167 0.3273 0.3961 0.0419 0.0375 0.0474 154 GLY A CA 1181 C C . GLY A 154 ? 0.3754 0.2959 0.3667 0.0346 0.0351 0.0469 154 GLY A C 1182 O O . GLY A 154 ? 0.3917 0.3047 0.3826 0.0322 0.0302 0.0461 154 GLY A O 1183 N N . ALA A 155 ? 0.3143 0.2521 0.3166 0.0307 0.0387 0.0468 155 ALA A N 1184 C CA . ALA A 155 ? 0.3640 0.3116 0.3790 0.0222 0.0363 0.0457 155 ALA A CA 1185 C C . ALA A 155 ? 0.3579 0.3131 0.3784 0.0268 0.0295 0.0413 155 ALA A C 1186 O O . ALA A 155 ? 0.3864 0.3397 0.4108 0.0213 0.0247 0.0390 155 ALA A O 1187 C CB . ALA A 155 ? 0.2731 0.2405 0.3000 0.0169 0.0420 0.0466 155 ALA A CB 1188 N N . PHE A 156 ? 0.2799 0.2423 0.2993 0.0376 0.0291 0.0400 156 PHE A N 1189 C CA . PHE A 156 ? 0.3033 0.2752 0.3271 0.0434 0.0228 0.0369 156 PHE A CA 1190 C C . PHE A 156 ? 0.3980 0.3534 0.4121 0.0434 0.0175 0.0365 156 PHE A C 1191 O O . PHE A 156 ? 0.4557 0.4179 0.4726 0.0449 0.0117 0.0336 156 PHE A O 1192 C CB . PHE A 156 ? 0.3188 0.2970 0.3407 0.0564 0.0236 0.0370 156 PHE A CB 1193 C CG . PHE A 156 ? 0.3836 0.3791 0.4145 0.0584 0.0296 0.0367 156 PHE A CG 1194 C CD1 . PHE A 156 ? 0.4907 0.5132 0.5388 0.0572 0.0288 0.0342 156 PHE A CD1 1195 C CD2 . PHE A 156 ? 0.4269 0.4134 0.4493 0.0614 0.0362 0.0383 156 PHE A CD2 1196 C CE1 . PHE A 156 ? 0.5286 0.5701 0.5863 0.0592 0.0354 0.0339 156 PHE A CE1 1197 C CE2 . PHE A 156 ? 0.4641 0.4679 0.4940 0.0639 0.0426 0.0376 156 PHE A CE2 1198 C CZ . PHE A 156 ? 0.5302 0.5622 0.5783 0.0629 0.0426 0.0356 156 PHE A CZ 1199 N N . GLY A 157 ? 0.3946 0.3300 0.3973 0.0420 0.0195 0.0392 157 GLY A N 1200 C CA . GLY A 157 ? 0.4000 0.3212 0.3939 0.0426 0.0156 0.0391 157 GLY A CA 1201 C C . GLY A 157 ? 0.4529 0.3636 0.4463 0.0338 0.0152 0.0388 157 GLY A C 1202 O O . GLY A 157 ? 0.4809 0.3859 0.4713 0.0332 0.0113 0.0367 157 GLY A O 1203 N N . PHE A 158 ? 0.4180 0.3257 0.4133 0.0276 0.0193 0.0412 158 PHE A N 1204 C CA . PHE A 158 ? 0.2661 0.1597 0.2584 0.0211 0.0189 0.0423 158 PHE A CA 1205 C C . PHE A 158 ? 0.3718 0.2673 0.3725 0.0112 0.0205 0.0430 158 PHE A C 1206 O O . PHE A 158 ? 0.2757 0.1580 0.2743 0.0062 0.0195 0.0440 158 PHE A O 1207 C CB . PHE A 158 ? 0.2663 0.1456 0.2473 0.0239 0.0210 0.0461 158 PHE A CB 1208 C CG . PHE A 158 ? 0.2636 0.1376 0.2374 0.0308 0.0186 0.0453 158 PHE A CG 1209 C CD1 . PHE A 158 ? 0.2986 0.1648 0.2695 0.0306 0.0155 0.0440 158 PHE A CD1 1210 C CD2 . PHE A 158 ? 0.3905 0.2676 0.3607 0.0375 0.0198 0.0459 158 PHE A CD2 1211 C CE1 . PHE A 158 ? 0.4300 0.2931 0.3946 0.0360 0.0141 0.0442 158 PHE A CE1 1212 C CE2 . PHE A 158 ? 0.2632 0.1341 0.2266 0.0428 0.0179 0.0463 158 PHE A CE2 1213 C CZ . PHE A 158 ? 0.2622 0.1270 0.2229 0.0415 0.0153 0.0458 158 PHE A CZ 1214 N N . LEU A 159 ? 0.3364 0.2486 0.3470 0.0084 0.0230 0.0427 159 LEU A N 1215 C CA . LEU A 159 ? 0.3424 0.2583 0.3627 -0.0025 0.0247 0.0436 159 LEU A CA 1216 C C . LEU A 159 ? 0.3867 0.2967 0.4110 -0.0072 0.0187 0.0388 159 LEU A C 1217 O O . LEU A 159 ? 0.4591 0.3797 0.4883 -0.0046 0.0140 0.0331 159 LEU A O 1218 C CB . LEU A 159 ? 0.3298 0.2697 0.3635 -0.0047 0.0274 0.0426 159 LEU A CB 1219 C CG . LEU A 159 ? 0.2998 0.2454 0.3453 -0.0180 0.0300 0.0442 159 LEU A CG 1220 C CD1 . LEU A 159 ? 0.2845 0.2538 0.3404 -0.0192 0.0361 0.0459 159 LEU A CD1 1221 C CD2 . LEU A 159 ? 0.2885 0.2361 0.3442 -0.0253 0.0235 0.0382 159 LEU A CD2 1222 N N . ALA A 160 ? 0.5052 0.3980 0.5270 -0.0136 0.0186 0.0408 160 ALA A N 1223 C CA . ALA A 160 ? 0.5505 0.4348 0.5757 -0.0182 0.0131 0.0353 160 ALA A CA 1224 C C . ALA A 160 ? 0.6240 0.5052 0.6588 -0.0311 0.0142 0.0363 160 ALA A C 1225 O O . ALA A 160 ? 0.7926 0.6694 0.8269 -0.0362 0.0196 0.0437 160 ALA A O 1226 C CB . ALA A 160 ? 0.5080 0.3719 0.5218 -0.0134 0.0110 0.0355 160 ALA A CB 1227 N N . LEU A 161 ? 0.5647 0.4483 0.6079 -0.0366 0.0088 0.0289 161 LEU A N 1228 C CA . LEU A 161 ? 0.5639 0.4382 0.6154 -0.0496 0.0083 0.0284 161 LEU A CA 1229 C C . LEU A 161 ? 0.6195 0.4764 0.6665 -0.0481 0.0016 0.0206 161 LEU A C 1230 O O . LEU A 161 ? 0.6292 0.4929 0.6837 -0.0522 -0.0039 0.0116 161 LEU A O 1231 C CB . LEU A 161 ? 0.5232 0.4205 0.5914 -0.0586 0.0074 0.0244 161 LEU A CB 1232 C CG . LEU A 161 ? 0.4952 0.4021 0.5745 -0.0702 0.0140 0.0313 161 LEU A CG 1233 C CD1 . LEU A 161 ? 0.4345 0.3336 0.5034 -0.0667 0.0219 0.0422 161 LEU A CD1 1234 C CD2 . LEU A 161 ? 0.3272 0.2670 0.4207 -0.0708 0.0143 0.0280 161 LEU A CD2 1235 N N . PRO A 162 ? 0.6188 0.4549 0.6536 -0.0416 0.0018 0.0234 162 PRO A N 1236 C CA . PRO A 162 ? 0.5323 0.3549 0.5602 -0.0353 -0.0035 0.0159 162 PRO A CA 1237 C C . PRO A 162 ? 0.6908 0.5082 0.7256 -0.0427 -0.0092 0.0058 162 PRO A C 1238 O O . PRO A 162 ? 0.7776 0.5815 0.8183 -0.0532 -0.0090 0.0071 162 PRO A O 1239 C CB . PRO A 162 ? 0.4956 0.2954 0.5148 -0.0324 -0.0012 0.0227 162 PRO A CB 1240 C CG . PRO A 162 ? 0.6077 0.4153 0.6236 -0.0305 0.0046 0.0326 162 PRO A CG 1241 C CD . PRO A 162 ? 0.6679 0.4937 0.6948 -0.0394 0.0074 0.0340 162 PRO A CD 1242 N N . GLY A 163 ? 0.7157 0.5436 0.7492 -0.0375 -0.0144 -0.0040 163 GLY A N 1243 C CA . GLY A 163 ? 0.6816 0.5053 0.7195 -0.0431 -0.0210 -0.0157 163 GLY A CA 1244 C C . GLY A 163 ? 0.6675 0.5139 0.7182 -0.0515 -0.0244 -0.0211 163 GLY A C 1245 O O . GLY A 163 ? 0.7933 0.6377 0.8488 -0.0579 -0.0306 -0.0317 163 GLY A O 1246 N N . SER A 164 ? 0.5593 0.4276 0.6160 -0.0515 -0.0207 -0.0145 164 SER A N 1247 C CA . SER A 164 ? 0.5613 0.4557 0.6314 -0.0575 -0.0242 -0.0194 164 SER A CA 1248 C C . SER A 164 ? 0.5837 0.4959 0.6471 -0.0452 -0.0283 -0.0240 164 SER A C 1249 O O . SER A 164 ? 0.5574 0.4652 0.6082 -0.0334 -0.0256 -0.0195 164 SER A O 1250 C CB . SER A 164 ? 0.5614 0.4719 0.6425 -0.0630 -0.0176 -0.0100 164 SER A CB 1251 O OG . SER A 164 ? 0.4669 0.3886 0.5411 -0.0510 -0.0134 -0.0034 164 SER A OG 1252 N N . ARG A 165 ? 0.5720 0.5043 0.6437 -0.0482 -0.0351 -0.0326 165 ARG A N 1253 C CA . ARG A 165 ? 0.5892 0.5386 0.6534 -0.0361 -0.0393 -0.0358 165 ARG A CA 1254 C C . ARG A 165 ? 0.5562 0.5275 0.6260 -0.0307 -0.0354 -0.0276 165 ARG A C 1255 O O . ARG A 165 ? 0.6189 0.5997 0.6801 -0.0186 -0.0366 -0.0259 165 ARG A O 1256 C CB . ARG A 165 ? 0.7617 0.7237 0.8294 -0.0393 -0.0495 -0.0490 165 ARG A CB 1257 C CG . ARG A 165 ? 0.9342 0.9272 1.0194 -0.0450 -0.0536 -0.0513 165 ARG A CG 1258 C CD . ARG A 165 ? 1.0348 1.0464 1.1173 -0.0405 -0.0641 -0.0621 165 ARG A CD 1259 N NE . ARG A 165 ? 1.1009 1.1133 1.1926 -0.0536 -0.0720 -0.0750 165 ARG A NE 1260 C CZ . ARG A 165 ? 1.0094 1.0491 1.1153 -0.0596 -0.0800 -0.0823 165 ARG A CZ 1261 N NH1 . ARG A 165 ? 0.9319 1.0012 1.0446 -0.0524 -0.0810 -0.0776 165 ARG A NH1 1262 N NH2 . ARG A 165 ? 0.9148 0.9519 1.0285 -0.0725 -0.0874 -0.0947 165 ARG A NH2 1263 N N . GLU A 166 ? 0.5660 0.5442 0.6495 -0.0394 -0.0303 -0.0220 166 GLU A N 1264 C CA . GLU A 166 ? 0.5708 0.5731 0.6625 -0.0349 -0.0267 -0.0160 166 GLU A CA 1265 C C . GLU A 166 ? 0.5867 0.5788 0.6687 -0.0270 -0.0180 -0.0054 166 GLU A C 1266 O O . GLU A 166 ? 0.6808 0.6882 0.7638 -0.0186 -0.0155 -0.0012 166 GLU A O 1267 C CB . GLU A 166 ? 0.5904 0.6127 0.7037 -0.0481 -0.0259 -0.0168 166 GLU A CB 1268 C CG . GLU A 166 ? 0.7670 0.8096 0.8930 -0.0546 -0.0358 -0.0280 166 GLU A CG 1269 C CD . GLU A 166 ? 1.0520 1.1182 1.1756 -0.0412 -0.0423 -0.0313 166 GLU A CD 1270 O OE1 . GLU A 166 ? 1.1905 1.2791 1.3221 -0.0350 -0.0395 -0.0264 166 GLU A OE1 1271 O OE2 . GLU A 166 ? 1.0743 1.1368 1.1876 -0.0364 -0.0503 -0.0388 166 GLU A OE2 1272 N N . ALA A 167 ? 0.4752 0.4411 0.5477 -0.0291 -0.0140 -0.0016 167 ALA A N 1273 C CA . ALA A 167 ? 0.3908 0.3449 0.4519 -0.0214 -0.0073 0.0071 167 ALA A CA 1274 C C . ALA A 167 ? 0.4412 0.3675 0.4896 -0.0208 -0.0071 0.0076 167 ALA A C 1275 O O . ALA A 167 ? 0.3817 0.2927 0.4306 -0.0280 -0.0037 0.0114 167 ALA A O 1276 C CB . ALA A 167 ? 0.3502 0.3099 0.4189 -0.0269 0.0005 0.0146 167 ALA A CB 1277 N N . PRO A 168 ? 0.5367 0.4574 0.5738 -0.0118 -0.0108 0.0042 168 PRO A N 1278 C CA . PRO A 168 ? 0.4949 0.3933 0.5215 -0.0099 -0.0115 0.0027 168 PRO A CA 1279 C C . PRO A 168 ? 0.5354 0.4217 0.5517 -0.0034 -0.0062 0.0107 168 PRO A C 1280 O O . PRO A 168 ? 0.5745 0.4441 0.5833 -0.0012 -0.0063 0.0103 168 PRO A O 1281 C CB . PRO A 168 ? 0.5094 0.4137 0.5292 -0.0028 -0.0174 -0.0048 168 PRO A CB 1282 C CG . PRO A 168 ? 0.2969 0.2248 0.3211 0.0012 -0.0194 -0.0048 168 PRO A CG 1283 C CD . PRO A 168 ? 0.5591 0.4959 0.5928 -0.0022 -0.0143 0.0019 168 PRO A CD 1284 N N . GLY A 169 ? 0.5301 0.4256 0.5465 0.0000 -0.0020 0.0170 169 GLY A N 1285 C CA . GLY A 169 ? 0.5758 0.4618 0.5824 0.0060 0.0023 0.0237 169 GLY A CA 1286 C C . GLY A 169 ? 0.5410 0.4258 0.5376 0.0155 0.0006 0.0228 169 GLY A C 1287 O O . GLY A 169 ? 0.5697 0.4583 0.5648 0.0177 -0.0038 0.0170 169 GLY A O 1288 N N . ASN A 170 ? 0.4934 0.3730 0.4827 0.0205 0.0042 0.0285 170 ASN A N 1289 C CA . ASN A 170 ? 0.3984 0.2746 0.3782 0.0279 0.0037 0.0292 170 ASN A CA 1290 C C . ASN A 170 ? 0.4610 0.3491 0.4386 0.0342 0.0017 0.0283 170 ASN A C 1291 O O . ASN A 170 ? 0.4571 0.3424 0.4264 0.0397 0.0015 0.0296 170 ASN A O 1292 C CB . ASN A 170 ? 0.3053 0.1726 0.2814 0.0281 0.0014 0.0253 170 ASN A CB 1293 C CG . ASN A 170 ? 0.3615 0.2148 0.3361 0.0259 0.0035 0.0282 170 ASN A CG 1294 O OD1 . ASN A 170 ? 0.3682 0.2176 0.3393 0.0273 0.0064 0.0337 170 ASN A OD1 1295 N ND2 . ASN A 170 ? 0.4153 0.2603 0.3920 0.0231 0.0015 0.0242 170 ASN A ND2 1296 N N . VAL A 171 ? 0.4080 0.3099 0.3932 0.0335 0.0003 0.0268 171 VAL A N 1297 C CA . VAL A 171 ? 0.3555 0.2697 0.3390 0.0406 -0.0024 0.0264 171 VAL A CA 1298 C C . VAL A 171 ? 0.3968 0.3055 0.3721 0.0479 0.0006 0.0326 171 VAL A C 1299 O O . VAL A 171 ? 0.4315 0.3434 0.4007 0.0548 -0.0014 0.0339 171 VAL A O 1300 C CB . VAL A 171 ? 0.3792 0.3118 0.3747 0.0388 -0.0046 0.0237 171 VAL A CB 1301 C CG1 . VAL A 171 ? 0.3964 0.3316 0.4011 0.0291 -0.0071 0.0179 171 VAL A CG1 1302 C CG2 . VAL A 171 ? 0.2647 0.2012 0.2652 0.0396 0.0004 0.0280 171 VAL A CG2 1303 N N . GLY A 172 ? 0.3725 0.2717 0.3466 0.0463 0.0053 0.0363 172 GLY A N 1304 C CA . GLY A 172 ? 0.3653 0.2566 0.3314 0.0520 0.0079 0.0410 172 GLY A CA 1305 C C . GLY A 172 ? 0.4058 0.2876 0.3624 0.0540 0.0072 0.0427 172 GLY A C 1306 O O . GLY A 172 ? 0.3664 0.2446 0.3161 0.0595 0.0075 0.0463 172 GLY A O 1307 N N . LEU A 173 ? 0.3580 0.2355 0.3145 0.0495 0.0066 0.0405 173 LEU A N 1308 C CA . LEU A 173 ? 0.4311 0.3030 0.3802 0.0511 0.0066 0.0414 173 LEU A CA 1309 C C . LEU A 173 ? 0.5574 0.4382 0.5028 0.0552 0.0033 0.0393 173 LEU A C 1310 O O . LEU A 173 ? 0.6542 0.5330 0.5914 0.0584 0.0040 0.0419 173 LEU A O 1311 C CB . LEU A 173 ? 0.2662 0.1319 0.2172 0.0466 0.0071 0.0391 173 LEU A CB 1312 C CG . LEU A 173 ? 0.2636 0.1199 0.2149 0.0437 0.0098 0.0423 173 LEU A CG 1313 C CD1 . LEU A 173 ? 0.2640 0.1155 0.2184 0.0403 0.0091 0.0398 173 LEU A CD1 1314 C CD2 . LEU A 173 ? 0.2643 0.1153 0.2093 0.0458 0.0118 0.0466 173 LEU A CD2 1315 N N . LEU A 174 ? 0.4389 0.3303 0.3902 0.0545 -0.0003 0.0346 174 LEU A N 1316 C CA . LEU A 174 ? 0.2792 0.1811 0.2267 0.0586 -0.0045 0.0318 174 LEU A CA 1317 C C . LEU A 174 ? 0.5120 0.4172 0.4539 0.0660 -0.0048 0.0376 174 LEU A C 1318 O O . LEU A 174 ? 0.4965 0.4048 0.4294 0.0709 -0.0067 0.0393 174 LEU A O 1319 C CB . LEU A 174 ? 0.2797 0.1933 0.2366 0.0550 -0.0090 0.0249 174 LEU A CB 1320 C CG . LEU A 174 ? 0.3333 0.2405 0.2940 0.0482 -0.0093 0.0189 174 LEU A CG 1321 C CD1 . LEU A 174 ? 0.2837 0.2016 0.2533 0.0436 -0.0144 0.0115 174 LEU A CD1 1322 C CD2 . LEU A 174 ? 0.2846 0.1856 0.2356 0.0507 -0.0089 0.0172 174 LEU A CD2 1323 N N . ASP A 175 ? 0.4163 0.3202 0.3629 0.0672 -0.0029 0.0408 175 ASP A N 1324 C CA . ASP A 175 ? 0.4066 0.3099 0.3482 0.0751 -0.0028 0.0465 175 ASP A CA 1325 C C . ASP A 175 ? 0.4847 0.3743 0.4145 0.0767 0.0000 0.0524 175 ASP A C 1326 O O . ASP A 175 ? 0.5622 0.4519 0.4833 0.0827 -0.0014 0.0569 175 ASP A O 1327 C CB . ASP A 175 ? 0.4793 0.3806 0.4272 0.0760 0.0000 0.0479 175 ASP A CB 1328 C CG . ASP A 175 ? 0.5485 0.4663 0.5092 0.0746 -0.0019 0.0431 175 ASP A CG 1329 O OD1 . ASP A 175 ? 0.4809 0.4116 0.4459 0.0731 -0.0065 0.0387 175 ASP A OD1 1330 O OD2 . ASP A 175 ? 0.6516 0.5704 0.6182 0.0747 0.0012 0.0435 175 ASP A OD2 1331 N N . GLN A 176 ? 0.5528 0.4313 0.4825 0.0711 0.0039 0.0530 176 GLN A N 1332 C CA . GLN A 176 ? 0.6265 0.4936 0.5477 0.0707 0.0070 0.0583 176 GLN A CA 1333 C C . GLN A 176 ? 0.5905 0.4629 0.5044 0.0719 0.0060 0.0586 176 GLN A C 1334 O O . GLN A 176 ? 0.5442 0.4120 0.4490 0.0746 0.0075 0.0648 176 GLN A O 1335 C CB . GLN A 176 ? 0.6764 0.5352 0.6010 0.0641 0.0101 0.0573 176 GLN A CB 1336 C CG . GLN A 176 ? 0.6484 0.5027 0.5784 0.0624 0.0114 0.0564 176 GLN A CG 1337 C CD . GLN A 176 ? 0.6359 0.4830 0.5677 0.0564 0.0135 0.0559 176 GLN A CD 1338 O OE1 . GLN A 176 ? 0.5662 0.4131 0.4972 0.0538 0.0139 0.0555 176 GLN A OE1 1339 N NE2 . GLN A 176 ? 0.6234 0.4655 0.5573 0.0549 0.0149 0.0556 176 GLN A NE2 1340 N N . ARG A 177 ? 0.5738 0.4552 0.4912 0.0698 0.0038 0.0518 177 ARG A N 1341 C CA . ARG A 177 ? 0.5724 0.4602 0.4820 0.0716 0.0028 0.0502 177 ARG A CA 1342 C C . ARG A 177 ? 0.5561 0.4512 0.4575 0.0785 -0.0005 0.0535 177 ARG A C 1343 O O . ARG A 177 ? 0.5534 0.4463 0.4439 0.0815 0.0014 0.0597 177 ARG A O 1344 C CB . ARG A 177 ? 0.2968 0.1912 0.2117 0.0685 0.0002 0.0407 177 ARG A CB 1345 C CG . ARG A 177 ? 0.3020 0.1986 0.2100 0.0689 0.0016 0.0379 177 ARG A CG 1346 C CD . ARG A 177 ? 0.3016 0.2021 0.2146 0.0666 -0.0016 0.0275 177 ARG A CD 1347 N NE . ARG A 177 ? 0.2961 0.1882 0.2152 0.0626 0.0013 0.0252 177 ARG A NE 1348 C CZ . ARG A 177 ? 0.6306 0.5210 0.5552 0.0600 -0.0010 0.0169 177 ARG A CZ 1349 N NH1 . ARG A 177 ? 0.5694 0.4662 0.4945 0.0598 -0.0061 0.0094 177 ARG A NH1 1350 N NH2 . ARG A 177 ? 0.6739 0.5556 0.6034 0.0577 0.0015 0.0160 177 ARG A NH2 1351 N N . LEU A 178 ? 0.3099 0.2145 0.2169 0.0809 -0.0055 0.0499 178 LEU A N 1352 C CA . LEU A 178 ? 0.3754 0.2891 0.2759 0.0887 -0.0100 0.0528 178 LEU A CA 1353 C C . LEU A 178 ? 0.3613 0.2647 0.2516 0.0942 -0.0074 0.0638 178 LEU A C 1354 O O . LEU A 178 ? 0.4520 0.3590 0.3306 0.1000 -0.0094 0.0686 178 LEU A O 1355 C CB . LEU A 178 ? 0.3162 0.2413 0.2280 0.0904 -0.0148 0.0487 178 LEU A CB 1356 C CG . LEU A 178 ? 0.3306 0.2688 0.2374 0.0992 -0.0211 0.0506 178 LEU A CG 1357 C CD1 . LEU A 178 ? 0.3391 0.2857 0.2353 0.0998 -0.0245 0.0470 178 LEU A CD1 1358 C CD2 . LEU A 178 ? 0.3224 0.2762 0.2433 0.1002 -0.0260 0.0454 178 LEU A CD2 1359 N N . ALA A 179 ? 0.3709 0.2603 0.2646 0.0921 -0.0031 0.0679 179 ALA A N 1360 C CA . ALA A 179 ? 0.3755 0.2513 0.2599 0.0960 -0.0005 0.0780 179 ALA A CA 1361 C C . ALA A 179 ? 0.4222 0.2925 0.2960 0.0929 0.0036 0.0831 179 ALA A C 1362 O O . ALA A 179 ? 0.3625 0.2279 0.2245 0.0971 0.0043 0.0917 179 ALA A O 1363 C CB . ALA A 179 ? 0.3356 0.1976 0.2262 0.0938 0.0028 0.0792 179 ALA A CB 1364 N N . LEU A 180 ? 0.3373 0.2089 0.2153 0.0857 0.0067 0.0782 180 LEU A N 1365 C CA . LEU A 180 ? 0.4051 0.2757 0.2751 0.0827 0.0111 0.0820 180 LEU A CA 1366 C C . LEU A 180 ? 0.5128 0.3960 0.3713 0.0877 0.0090 0.0821 180 LEU A C 1367 O O . LEU A 180 ? 0.5154 0.3968 0.3622 0.0885 0.0124 0.0899 180 LEU A O 1368 C CB . LEU A 180 ? 0.3665 0.2379 0.2450 0.0755 0.0142 0.0758 180 LEU A CB 1369 C CG . LEU A 180 ? 0.3790 0.2380 0.2657 0.0702 0.0169 0.0772 180 LEU A CG 1370 C CD1 . LEU A 180 ? 0.3128 0.1744 0.2073 0.0645 0.0190 0.0717 180 LEU A CD1 1371 C CD2 . LEU A 180 ? 0.4020 0.2489 0.2822 0.0687 0.0207 0.0870 180 LEU A CD2 1372 N N . GLN A 181 ? 0.5873 0.4833 0.4487 0.0905 0.0032 0.0737 181 GLN A N 1373 C CA . GLN A 181 ? 0.7196 0.6284 0.5692 0.0959 -0.0003 0.0726 181 GLN A CA 1374 C C . GLN A 181 ? 0.6755 0.5816 0.5138 0.1034 -0.0023 0.0833 181 GLN A C 1375 O O . GLN A 181 ? 0.7766 0.6852 0.5999 0.1067 -0.0010 0.0896 181 GLN A O 1376 C CB . GLN A 181 ? 0.8756 0.7981 0.7320 0.0966 -0.0073 0.0606 181 GLN A CB 1377 C CG . GLN A 181 ? 0.9736 0.8964 0.8408 0.0898 -0.0062 0.0500 181 GLN A CG 1378 C CD . GLN A 181 ? 1.0870 1.0220 0.9595 0.0896 -0.0133 0.0384 181 GLN A CD 1379 O OE1 . GLN A 181 ? 1.2945 1.2409 1.1572 0.0939 -0.0178 0.0351 181 GLN A OE1 1380 N NE2 . GLN A 181 ? 0.8766 0.8093 0.7640 0.0841 -0.0145 0.0322 181 GLN A NE2 1381 N N . TRP A 182 ? 0.4806 0.3814 0.3259 0.1066 -0.0052 0.0856 182 TRP A N 1382 C CA . TRP A 182 ? 0.5084 0.4024 0.3446 0.1146 -0.0069 0.0964 182 TRP A CA 1383 C C . TRP A 182 ? 0.6384 0.5162 0.4635 0.1123 0.0000 0.1082 182 TRP A C 1384 O O . TRP A 182 ? 0.7340 0.6090 0.5468 0.1169 -0.0004 0.1173 182 TRP A O 1385 C CB . TRP A 182 ? 0.5187 0.4062 0.3668 0.1173 -0.0088 0.0960 182 TRP A CB 1386 C CG . TRP A 182 ? 0.4876 0.3696 0.3287 0.1281 -0.0122 0.1051 182 TRP A CG 1387 C CD1 . TRP A 182 ? 0.5086 0.4044 0.3526 0.1373 -0.0197 0.1032 182 TRP A CD1 1388 C CD2 . TRP A 182 ? 0.4729 0.3400 0.3119 0.1248 -0.0084 0.1122 182 TRP A CD2 1389 N NE1 . TRP A 182 ? 0.5070 0.3956 0.3488 0.1419 -0.0204 0.1097 182 TRP A NE1 1390 C CE2 . TRP A 182 ? 0.5037 0.3740 0.3426 0.1337 -0.0136 0.1149 182 TRP A CE2 1391 C CE3 . TRP A 182 ? 0.4191 0.2714 0.2574 0.1152 -0.0018 0.1161 182 TRP A CE3 1392 C CZ2 . TRP A 182 ? 0.4452 0.3017 0.2818 0.1336 -0.0123 0.1217 182 TRP A CZ2 1393 C CZ3 . TRP A 182 ? 0.5485 0.3883 0.3851 0.1143 -0.0009 0.1226 182 TRP A CZ3 1394 C CH2 . TRP A 182 ? 0.5747 0.4152 0.4098 0.1237 -0.0061 0.1255 182 TRP A CH2 1395 N N . VAL A 183 ? 0.6459 0.5146 0.4777 0.1034 0.0062 0.1070 183 VAL A N 1396 C CA . VAL A 183 ? 0.6457 0.5015 0.4725 0.0977 0.0127 0.1161 183 VAL A CA 1397 C C . VAL A 183 ? 0.6147 0.4780 0.4261 0.0981 0.0162 0.1216 183 VAL A C 1398 O O . VAL A 183 ? 0.4352 0.2943 0.2404 0.0959 0.0186 0.1297 183 VAL A O 1399 C CB . VAL A 183 ? 0.6724 0.5184 0.5121 0.0877 0.0174 0.1127 183 VAL A CB 1400 C CG1 . VAL A 183 ? 0.4012 0.2403 0.2392 0.0790 0.0235 0.1193 183 VAL A CG1 1401 C CG2 . VAL A 183 ? 0.3860 0.2245 0.2377 0.0872 0.0143 0.1088 183 VAL A CG2 1402 N N . GLN A 184 ? 0.5462 0.4256 0.3583 0.0974 0.0157 0.1125 184 GLN A N 1403 C CA . GLN A 184 ? 0.5116 0.4023 0.3098 0.0982 0.0190 0.1148 184 GLN A CA 1404 C C . GLN A 184 ? 0.5671 0.4620 0.3476 0.1074 0.0147 0.1225 184 GLN A C 1405 O O . GLN A 184 ? 0.6044 0.4982 0.3699 0.1079 0.0193 0.1330 184 GLN A O 1406 C CB . GLN A 184 ? 0.4927 0.3995 0.2958 0.0969 0.0180 0.1008 184 GLN A CB 1407 C CG . GLN A 184 ? 0.4917 0.3963 0.3077 0.0887 0.0237 0.0957 184 GLN A CG 1408 C CD . GLN A 184 ? 0.5800 0.4797 0.3916 0.0834 0.0326 0.1060 184 GLN A CD 1409 O OE1 . GLN A 184 ? 0.6814 0.5903 0.4806 0.0846 0.0371 0.1100 184 GLN A OE1 1410 N NE2 . GLN A 184 ? 0.5326 0.4186 0.3544 0.0771 0.0354 0.1103 184 GLN A NE2 1411 N N . GLU A 185 ? 0.5626 0.4635 0.3455 0.1145 0.0059 0.1175 185 GLU A N 1412 C CA . GLU A 185 ? 0.4618 0.3674 0.2298 0.1245 0.0001 0.1246 185 GLU A CA 1413 C C . GLU A 185 ? 0.8236 0.7145 0.5939 0.1224 0.0018 0.1349 185 GLU A C 1414 O O . GLU A 185 ? 0.8420 0.7320 0.6008 0.1218 0.0041 0.1433 185 GLU A O 1415 C CB . GLU A 185 ? 0.7701 0.6883 0.5466 0.1305 -0.0101 0.1147 185 GLU A CB 1416 C CG . GLU A 185 ? 0.9626 0.9003 0.7418 0.1288 -0.0139 0.0998 185 GLU A CG 1417 C CD . GLU A 185 ? 1.1730 1.1253 0.9596 0.1342 -0.0247 0.0912 185 GLU A CD 1418 O OE1 . GLU A 185 ? 1.1440 1.0920 0.9386 0.1386 -0.0282 0.0951 185 GLU A OE1 1419 O OE2 . GLU A 185 ? 1.3029 1.2716 1.0878 0.1340 -0.0296 0.0799 185 GLU A OE2 1420 N N . ASN A 186 ? 0.7421 0.6214 0.5272 0.1209 0.0005 0.1335 186 ASN A N 1421 C CA . ASN A 186 ? 0.4804 0.3476 0.2671 0.1217 -0.0008 0.1408 186 ASN A CA 1422 C C . ASN A 186 ? 0.5516 0.3998 0.3435 0.1117 0.0056 0.1465 186 ASN A C 1423 O O . ASN A 186 ? 0.5421 0.3784 0.3344 0.1127 0.0039 0.1524 186 ASN A O 1424 C CB . ASN A 186 ? 0.4739 0.3427 0.2712 0.1292 -0.0077 0.1359 186 ASN A CB 1425 C CG . ASN A 186 ? 0.7963 0.6858 0.5893 0.1391 -0.0157 0.1307 186 ASN A CG 1426 O OD1 . ASN A 186 ? 0.8172 0.7141 0.6017 0.1465 -0.0209 0.1349 186 ASN A OD1 1427 N ND2 . ASN A 186 ? 0.7480 0.6472 0.5469 0.1391 -0.0174 0.1216 186 ASN A ND2 1428 N N . VAL A 187 ? 0.5109 0.3562 0.3066 0.1023 0.0122 0.1450 187 VAL A N 1429 C CA . VAL A 187 ? 0.5356 0.3640 0.3387 0.0922 0.0167 0.1489 187 VAL A CA 1430 C C . VAL A 187 ? 0.6015 0.4230 0.3940 0.0879 0.0201 0.1605 187 VAL A C 1431 O O . VAL A 187 ? 0.5992 0.4050 0.3963 0.0809 0.0217 0.1651 187 VAL A O 1432 C CB . VAL A 187 ? 0.5800 0.4075 0.3931 0.0830 0.0221 0.1434 187 VAL A CB 1433 C CG1 . VAL A 187 ? 0.4649 0.2988 0.2699 0.0772 0.0291 0.1484 187 VAL A CG1 1434 C CG2 . VAL A 187 ? 0.4579 0.2691 0.2828 0.0753 0.0225 0.1429 187 VAL A CG2 1435 N N . ALA A 188 ? 0.6804 0.5136 0.4580 0.0918 0.0210 0.1653 188 ALA A N 1436 C CA . ALA A 188 ? 0.6223 0.4506 0.3880 0.0878 0.0245 0.1773 188 ALA A CA 1437 C C . ALA A 188 ? 0.5619 0.3779 0.3238 0.0932 0.0187 0.1842 188 ALA A C 1438 O O . ALA A 188 ? 0.5847 0.3881 0.3408 0.0880 0.0208 0.1946 188 ALA A O 1439 C CB . ALA A 188 ? 0.6047 0.4507 0.3547 0.0912 0.0271 0.1793 188 ALA A CB 1440 N N . ALA A 189 ? 0.7526 0.5722 0.5182 0.1036 0.0114 0.1786 189 ALA A N 1441 C CA . ALA A 189 ? 0.5746 0.3838 0.3385 0.1107 0.0054 0.1839 189 ALA A CA 1442 C C . ALA A 189 ? 0.7294 0.5162 0.5028 0.1041 0.0067 0.1867 189 ALA A C 1443 O O . ALA A 189 ? 0.7363 0.5103 0.5075 0.1087 0.0029 0.1929 189 ALA A O 1444 C CB . ALA A 189 ? 0.5629 0.3829 0.3324 0.1224 -0.0019 0.1758 189 ALA A CB 1445 N N . PHE A 190 ? 0.6413 0.4234 0.4254 0.0940 0.0114 0.1816 190 PHE A N 1446 C CA . PHE A 190 ? 0.6178 0.3801 0.4118 0.0876 0.0118 0.1821 190 PHE A CA 1447 C C . PHE A 190 ? 0.7206 0.4742 0.5132 0.0737 0.0181 0.1887 190 PHE A C 1448 O O . PHE A 190 ? 0.8883 0.6253 0.6883 0.0666 0.0185 0.1899 190 PHE A O 1449 C CB . PHE A 190 ? 0.6568 0.4201 0.4662 0.0881 0.0105 0.1695 190 PHE A CB 1450 C CG . PHE A 190 ? 0.5336 0.3073 0.3456 0.1008 0.0048 0.1628 190 PHE A CG 1451 C CD1 . PHE A 190 ? 0.5614 0.3546 0.3730 0.1050 0.0041 0.1565 190 PHE A CD1 1452 C CD2 . PHE A 190 ? 0.7739 0.5382 0.5895 0.1086 0.0003 0.1628 190 PHE A CD2 1453 C CE1 . PHE A 190 ? 0.5071 0.3110 0.3222 0.1159 -0.0014 0.1506 190 PHE A CE1 1454 C CE2 . PHE A 190 ? 0.7018 0.4778 0.5210 0.1202 -0.0046 0.1569 190 PHE A CE2 1455 C CZ . PHE A 190 ? 0.6270 0.4232 0.4463 0.1234 -0.0056 0.1510 190 PHE A CZ 1456 N N . GLY A 191 ? 0.7063 0.4720 0.4894 0.0700 0.0230 0.1930 191 GLY A N 1457 C CA . GLY A 191 ? 0.5890 0.3500 0.3709 0.0567 0.0297 0.1997 191 GLY A CA 1458 C C . GLY A 191 ? 0.6357 0.4084 0.4268 0.0502 0.0348 0.1913 191 GLY A C 1459 O O . GLY A 191 ? 0.5658 0.3383 0.3586 0.0389 0.0409 0.1951 191 GLY A O 1460 N N . GLY A 192 ? 0.5682 0.3513 0.3658 0.0574 0.0320 0.1801 192 GLY A N 1461 C CA . GLY A 192 ? 0.5130 0.3068 0.3195 0.0533 0.0357 0.1716 192 GLY A CA 1462 C C . GLY A 192 ? 0.5271 0.3387 0.3239 0.0538 0.0415 0.1736 192 GLY A C 1463 O O . GLY A 192 ? 0.5262 0.3453 0.3091 0.0601 0.0410 0.1787 192 GLY A O 1464 N N . ASP A 193 ? 0.5268 0.3462 0.3309 0.0478 0.0469 0.1692 193 ASP A N 1465 C CA . ASP A 193 ? 0.4961 0.3330 0.2926 0.0475 0.0540 0.1708 193 ASP A CA 1466 C C . ASP A 193 ? 0.6890 0.5373 0.4912 0.0526 0.0539 0.1601 193 ASP A C 1467 O O . ASP A 193 ? 0.8288 0.6761 0.6433 0.0467 0.0566 0.1557 193 ASP A O 1468 C CB . ASP A 193 ? 0.5991 0.4350 0.3999 0.0345 0.0621 0.1773 193 ASP A CB 1469 C CG . ASP A 193 ? 0.6682 0.5249 0.4641 0.0337 0.0711 0.1783 193 ASP A CG 1470 O OD1 . ASP A 193 ? 0.7342 0.6052 0.5239 0.0432 0.0708 0.1723 193 ASP A OD1 1471 O OD2 . ASP A 193 ? 0.6425 0.5022 0.4410 0.0232 0.0785 0.1847 193 ASP A OD2 1472 N N . PRO A 194 ? 0.5169 0.3760 0.3096 0.0635 0.0504 0.1559 194 PRO A N 1473 C CA . PRO A 194 ? 0.4493 0.3166 0.2459 0.0691 0.0488 0.1456 194 PRO A CA 1474 C C . PRO A 194 ? 0.5740 0.4553 0.3740 0.0652 0.0560 0.1417 194 PRO A C 1475 O O . PRO A 194 ? 0.4242 0.3167 0.2321 0.0678 0.0527 0.1285 194 PRO A O 1476 C CB . PRO A 194 ? 0.7345 0.6117 0.5174 0.0807 0.0429 0.1431 194 PRO A CB 1477 C CG . PRO A 194 ? 0.4788 0.3587 0.2485 0.0808 0.0446 0.1525 194 PRO A CG 1478 C CD . PRO A 194 ? 0.5454 0.4086 0.3229 0.0714 0.0465 0.1604 194 PRO A CD 1479 N N . THR A 195 ? 0.4516 0.3348 0.2497 0.0578 0.0648 0.1506 195 THR A N 1480 C CA . THR A 195 ? 0.5188 0.4197 0.3258 0.0531 0.0711 0.1445 195 THR A CA 1481 C C . THR A 195 ? 0.5098 0.4036 0.3347 0.0426 0.0739 0.1449 195 THR A C 1482 O O . THR A 195 ? 0.5054 0.4135 0.3412 0.0383 0.0785 0.1399 195 THR A O 1483 C CB . THR A 195 ? 0.4611 0.3772 0.2545 0.0526 0.0800 0.1524 195 THR A CB 1484 O OG1 . THR A 195 ? 0.4807 0.3848 0.2690 0.0454 0.0834 0.1667 195 THR A OG1 1485 C CG2 . THR A 195 ? 0.4701 0.3976 0.2459 0.0636 0.0766 0.1486 195 THR A CG2 1486 N N . SER A 196 ? 0.5651 0.4373 0.3926 0.0390 0.0707 0.1504 196 SER A N 1487 C CA . SER A 196 ? 0.6549 0.5186 0.4984 0.0293 0.0715 0.1494 196 SER A CA 1488 C C . SER A 196 ? 0.6185 0.4657 0.4687 0.0314 0.0628 0.1428 196 SER A C 1489 O O . SER A 196 ? 0.6270 0.4600 0.4818 0.0257 0.0589 0.1443 196 SER A O 1490 C CB . SER A 196 ? 0.7417 0.5993 0.5865 0.0177 0.0760 0.1594 196 SER A CB 1491 O OG . SER A 196 ? 0.8126 0.6655 0.6730 0.0079 0.0771 0.1576 196 SER A OG 1492 N N . VAL A 197 ? 0.5000 0.3539 0.3542 0.0383 0.0579 0.1321 197 VAL A N 1493 C CA . VAL A 197 ? 0.4820 0.3236 0.3424 0.0408 0.0510 0.1259 197 VAL A CA 1494 C C . VAL A 197 ? 0.4484 0.2923 0.3249 0.0349 0.0503 0.1178 197 VAL A C 1495 O O . VAL A 197 ? 0.4283 0.2875 0.3117 0.0356 0.0508 0.1103 197 VAL A O 1496 C CB . VAL A 197 ? 0.4325 0.2801 0.2882 0.0511 0.0451 0.1190 197 VAL A CB 1497 C CG1 . VAL A 197 ? 0.4180 0.2544 0.2799 0.0534 0.0392 0.1141 197 VAL A CG1 1498 C CG2 . VAL A 197 ? 0.4578 0.3048 0.2974 0.0575 0.0448 0.1271 197 VAL A CG2 1499 N N . THR A 198 ? 0.4150 0.2435 0.2968 0.0296 0.0487 0.1189 198 THR A N 1500 C CA . THR A 198 ? 0.3580 0.1873 0.2530 0.0242 0.0474 0.1124 198 THR A CA 1501 C C . THR A 198 ? 0.4620 0.2831 0.3601 0.0280 0.0406 0.1049 198 THR A C 1502 O O . THR A 198 ? 0.4132 0.2260 0.3105 0.0280 0.0364 0.1043 198 THR A O 1503 C CB . THR A 198 ? 0.4988 0.3195 0.3986 0.0133 0.0501 0.1177 198 THR A CB 1504 O OG1 . THR A 198 ? 0.4868 0.3197 0.3865 0.0083 0.0569 0.1241 198 THR A OG1 1505 C CG2 . THR A 198 ? 0.3552 0.1769 0.2676 0.0082 0.0474 0.1105 198 THR A CG2 1506 N N . LEU A 199 ? 0.3334 0.1617 0.2377 0.0306 0.0385 0.0973 199 LEU A N 1507 C CA . LEU A 199 ? 0.3469 0.1696 0.2546 0.0333 0.0332 0.0908 199 LEU A CA 1508 C C . LEU A 199 ? 0.3810 0.1980 0.2965 0.0262 0.0314 0.0880 199 LEU A C 1509 O O . LEU A 199 ? 0.3678 0.1873 0.2883 0.0214 0.0338 0.0888 199 LEU A O 1510 C CB . LEU A 199 ? 0.4221 0.2552 0.3341 0.0376 0.0313 0.0838 199 LEU A CB 1511 C CG . LEU A 199 ? 0.4866 0.3306 0.3939 0.0437 0.0311 0.0820 199 LEU A CG 1512 C CD1 . LEU A 199 ? 0.2983 0.1502 0.2127 0.0455 0.0285 0.0734 199 LEU A CD1 1513 C CD2 . LEU A 199 ? 0.5271 0.3654 0.4263 0.0494 0.0289 0.0847 199 LEU A CD2 1514 N N . PHE A 200 ? 0.3884 0.1989 0.3051 0.0260 0.0271 0.0845 200 PHE A N 1515 C CA . PHE A 200 ? 0.3981 0.2036 0.3203 0.0210 0.0248 0.0805 200 PHE A CA 1516 C C . PHE A 200 ? 0.4637 0.2686 0.3874 0.0251 0.0210 0.0741 200 PHE A C 1517 O O . PHE A 200 ? 0.5313 0.3342 0.4522 0.0299 0.0199 0.0738 200 PHE A O 1518 C CB . PHE A 200 ? 0.3552 0.1504 0.2775 0.0133 0.0255 0.0843 200 PHE A CB 1519 C CG . PHE A 200 ? 0.4138 0.1991 0.3326 0.0148 0.0236 0.0855 200 PHE A CG 1520 C CD1 . PHE A 200 ? 0.4512 0.2383 0.3652 0.0220 0.0231 0.0871 200 PHE A CD1 1521 C CD2 . PHE A 200 ? 0.4942 0.2670 0.4143 0.0091 0.0222 0.0851 200 PHE A CD2 1522 C CE1 . PHE A 200 ? 0.4820 0.2591 0.3930 0.0243 0.0214 0.0888 200 PHE A CE1 1523 C CE2 . PHE A 200 ? 0.4474 0.2092 0.3646 0.0113 0.0207 0.0862 200 PHE A CE2 1524 C CZ . PHE A 200 ? 0.4172 0.1811 0.3299 0.0191 0.0204 0.0883 200 PHE A CZ 1525 N N . GLY A 201 ? 0.4859 0.2930 0.4135 0.0237 0.0196 0.0698 201 GLY A N 1526 C CA . GLY A 201 ? 0.5356 0.3427 0.4638 0.0267 0.0173 0.0645 201 GLY A CA 1527 C C . GLY A 201 ? 0.5345 0.3368 0.4638 0.0226 0.0159 0.0616 201 GLY A C 1528 O O . GLY A 201 ? 0.5527 0.3536 0.4836 0.0176 0.0161 0.0632 201 GLY A O 1529 N N . GLU A 202 ? 0.5244 0.3236 0.4516 0.0250 0.0149 0.0577 202 GLU A N 1530 C CA . GLU A 202 ? 0.5436 0.3371 0.4685 0.0222 0.0136 0.0548 202 GLU A CA 1531 C C . GLU A 202 ? 0.5388 0.3373 0.4626 0.0261 0.0136 0.0521 202 GLU A C 1532 O O . GLU A 202 ? 0.5495 0.3517 0.4734 0.0309 0.0148 0.0516 202 GLU A O 1533 C CB . GLU A 202 ? 0.6250 0.4043 0.5447 0.0206 0.0131 0.0528 202 GLU A CB 1534 C CG . GLU A 202 ? 0.6292 0.3990 0.5431 0.0172 0.0113 0.0492 202 GLU A CG 1535 C CD . GLU A 202 ? 0.6396 0.4076 0.5467 0.0225 0.0118 0.0451 202 GLU A CD 1536 O OE1 . GLU A 202 ? 0.5900 0.3617 0.4974 0.0286 0.0138 0.0447 202 GLU A OE1 1537 O OE2 . GLU A 202 ? 0.6181 0.3800 0.5182 0.0207 0.0100 0.0428 202 GLU A OE2 1538 N N . SER A 203 ? 0.5446 0.3426 0.4668 0.0241 0.0123 0.0513 203 SER A N 1539 C CA . SER A 203 ? 0.5498 0.3513 0.4699 0.0268 0.0127 0.0501 203 SER A CA 1540 C C . SER A 203 ? 0.5285 0.3412 0.4555 0.0287 0.0133 0.0516 203 SER A C 1541 O O . SER A 203 ? 0.4494 0.2668 0.3814 0.0273 0.0124 0.0533 203 SER A O 1542 C CB . SER A 203 ? 0.5300 0.3246 0.4428 0.0308 0.0147 0.0475 203 SER A CB 1543 O OG . SER A 203 ? 0.6012 0.3948 0.5082 0.0320 0.0156 0.0473 203 SER A OG 1544 N N . ALA A 204 ? 0.5482 0.3630 0.4744 0.0322 0.0152 0.0510 204 ALA A N 1545 C CA . ALA A 204 ? 0.5169 0.3393 0.4486 0.0337 0.0156 0.0519 204 ALA A CA 1546 C C . ALA A 204 ? 0.5533 0.3783 0.4876 0.0349 0.0154 0.0527 204 ALA A C 1547 O O . ALA A 204 ? 0.5989 0.4282 0.5364 0.0353 0.0151 0.0533 204 ALA A O 1548 C CB . ALA A 204 ? 0.4685 0.2908 0.3983 0.0372 0.0183 0.0518 204 ALA A CB 1549 N N . GLY A 205 ? 0.5157 0.3364 0.4472 0.0360 0.0158 0.0529 205 GLY A N 1550 C CA . GLY A 205 ? 0.5071 0.3284 0.4389 0.0365 0.0158 0.0552 205 GLY A CA 1551 C C . GLY A 205 ? 0.4438 0.2673 0.3780 0.0329 0.0155 0.0569 205 GLY A C 1552 O O . GLY A 205 ? 0.5195 0.3467 0.4541 0.0347 0.0164 0.0585 205 GLY A O 1553 N N . ALA A 206 ? 0.3701 0.1904 0.3048 0.0288 0.0147 0.0567 206 ALA A N 1554 C CA . ALA A 206 ? 0.4198 0.2418 0.3569 0.0265 0.0149 0.0588 206 ALA A CA 1555 C C . ALA A 206 ? 0.4337 0.2618 0.3741 0.0292 0.0146 0.0578 206 ALA A C 1556 O O . ALA A 206 ? 0.5022 0.3326 0.4439 0.0308 0.0161 0.0594 206 ALA A O 1557 C CB . ALA A 206 ? 0.2821 0.0984 0.2187 0.0221 0.0136 0.0592 206 ALA A CB 1558 N N . ALA A 207 ? 0.3908 0.2200 0.3318 0.0300 0.0133 0.0556 207 ALA A N 1559 C CA . ALA A 207 ? 0.4150 0.2472 0.3591 0.0318 0.0126 0.0547 207 ALA A CA 1560 C C . ALA A 207 ? 0.4853 0.3194 0.4292 0.0353 0.0141 0.0542 207 ALA A C 1561 O O . ALA A 207 ? 0.5035 0.3379 0.4490 0.0375 0.0142 0.0536 207 ALA A O 1562 C CB . ALA A 207 ? 0.4156 0.2471 0.3595 0.0310 0.0117 0.0537 207 ALA A CB 1563 N N . SER A 208 ? 0.5315 0.3654 0.4725 0.0368 0.0150 0.0546 208 SER A N 1564 C CA . SER A 208 ? 0.4744 0.3092 0.4130 0.0411 0.0160 0.0549 208 SER A CA 1565 C C . SER A 208 ? 0.5050 0.3428 0.4421 0.0419 0.0173 0.0563 208 SER A C 1566 O O . SER A 208 ? 0.4808 0.3244 0.4200 0.0433 0.0168 0.0534 208 SER A O 1567 C CB . SER A 208 ? 0.3490 0.1835 0.2845 0.0437 0.0162 0.0558 208 SER A CB 1568 O OG . SER A 208 ? 0.4095 0.2437 0.3469 0.0433 0.0160 0.0543 208 SER A OG 1569 N N . VAL A 209 ? 0.2726 0.1069 0.2064 0.0405 0.0190 0.0602 209 VAL A N 1570 C CA . VAL A 209 ? 0.2753 0.1143 0.2089 0.0394 0.0211 0.0624 209 VAL A CA 1571 C C . VAL A 209 ? 0.6745 0.5214 0.6140 0.0395 0.0209 0.0592 209 VAL A C 1572 O O . VAL A 209 ? 0.7664 0.6212 0.7055 0.0419 0.0224 0.0580 209 VAL A O 1573 C CB . VAL A 209 ? 0.3019 0.1353 0.2353 0.0345 0.0224 0.0662 209 VAL A CB 1574 C CG1 . VAL A 209 ? 0.3062 0.1473 0.2412 0.0324 0.0255 0.0690 209 VAL A CG1 1575 C CG2 . VAL A 209 ? 0.2924 0.1194 0.2219 0.0338 0.0217 0.0677 209 VAL A CG2 1576 N N . GLY A 210 ? 0.5159 0.3606 0.4601 0.0377 0.0190 0.0576 210 GLY A N 1577 C CA . GLY A 210 ? 0.4046 0.2549 0.3546 0.0391 0.0181 0.0548 210 GLY A CA 1578 C C . GLY A 210 ? 0.4094 0.2612 0.3595 0.0431 0.0171 0.0502 210 GLY A C 1579 O O . GLY A 210 ? 0.4411 0.2985 0.3941 0.0460 0.0175 0.0472 210 GLY A O 1580 N N . MET A 211 ? 0.3786 0.2259 0.3261 0.0433 0.0158 0.0491 211 MET A N 1581 C CA . MET A 211 ? 0.3955 0.2437 0.3438 0.0455 0.0141 0.0441 211 MET A CA 1582 C C . MET A 211 ? 0.4703 0.3257 0.4145 0.0487 0.0151 0.0417 211 MET A C 1583 O O . MET A 211 ? 0.4059 0.2636 0.3506 0.0511 0.0138 0.0360 211 MET A O 1584 C CB . MET A 211 ? 0.3335 0.1772 0.2824 0.0436 0.0124 0.0437 211 MET A CB 1585 C CG . MET A 211 ? 0.3209 0.1580 0.2720 0.0408 0.0119 0.0461 211 MET A CG 1586 S SD . MET A 211 ? 0.6595 0.4929 0.6124 0.0378 0.0110 0.0457 211 MET A SD 1587 C CE . MET A 211 ? 0.6852 0.5141 0.6361 0.0353 0.0116 0.0502 211 MET A CE 1588 N N . HIS A 212 ? 0.5349 0.3930 0.4741 0.0488 0.0172 0.0460 212 HIS A N 1589 C CA . HIS A 212 ? 0.2759 0.1413 0.2089 0.0520 0.0185 0.0455 212 HIS A CA 1590 C C . HIS A 212 ? 0.4775 0.3498 0.4115 0.0534 0.0215 0.0445 212 HIS A C 1591 O O . HIS A 212 ? 0.5376 0.4169 0.4674 0.0570 0.0222 0.0407 212 HIS A O 1592 C CB . HIS A 212 ? 0.4430 0.3071 0.3697 0.0519 0.0199 0.0520 212 HIS A CB 1593 C CG . HIS A 212 ? 0.4758 0.3367 0.4013 0.0530 0.0170 0.0520 212 HIS A CG 1594 N ND1 . HIS A 212 ? 0.5699 0.4368 0.4932 0.0562 0.0141 0.0481 212 HIS A ND1 1595 C CD2 . HIS A 212 ? 0.3513 0.2052 0.2781 0.0517 0.0165 0.0548 212 HIS A CD2 1596 C CE1 . HIS A 212 ? 0.5377 0.4029 0.4623 0.0567 0.0121 0.0491 212 HIS A CE1 1597 N NE2 . HIS A 212 ? 0.3708 0.2279 0.2972 0.0545 0.0139 0.0530 212 HIS A NE2 1598 N N . LEU A 213 ? 0.2750 0.1470 0.2146 0.0508 0.0231 0.0472 213 LEU A N 1599 C CA . LEU A 213 ? 0.4452 0.3264 0.3887 0.0528 0.0258 0.0453 213 LEU A CA 1600 C C . LEU A 213 ? 0.4760 0.3571 0.4228 0.0574 0.0236 0.0374 213 LEU A C 1601 O O . LEU A 213 ? 0.5457 0.4353 0.4939 0.0615 0.0259 0.0337 213 LEU A O 1602 C CB . LEU A 213 ? 0.2727 0.1547 0.2238 0.0491 0.0266 0.0489 213 LEU A CB 1603 C CG . LEU A 213 ? 0.4279 0.3095 0.3777 0.0435 0.0290 0.0560 213 LEU A CG 1604 C CD1 . LEU A 213 ? 0.3337 0.2150 0.2918 0.0395 0.0275 0.0575 213 LEU A CD1 1605 C CD2 . LEU A 213 ? 0.4439 0.3365 0.3909 0.0437 0.0343 0.0587 213 LEU A CD2 1606 N N . LEU A 214 ? 0.3838 0.2550 0.3321 0.0565 0.0195 0.0349 214 LEU A N 1607 C CA . LEU A 214 ? 0.3845 0.2510 0.3369 0.0596 0.0170 0.0286 214 LEU A CA 1608 C C . LEU A 214 ? 0.4237 0.2882 0.3718 0.0615 0.0147 0.0216 214 LEU A C 1609 O O . LEU A 214 ? 0.3579 0.2189 0.3078 0.0649 0.0132 0.0147 214 LEU A O 1610 C CB . LEU A 214 ? 0.3450 0.2013 0.3024 0.0566 0.0141 0.0312 214 LEU A CB 1611 C CG . LEU A 214 ? 0.4158 0.2751 0.3781 0.0557 0.0149 0.0361 214 LEU A CG 1612 C CD1 . LEU A 214 ? 0.4768 0.3264 0.4402 0.0521 0.0121 0.0397 214 LEU A CD1 1613 C CD2 . LEU A 214 ? 0.2759 0.1406 0.2439 0.0613 0.0152 0.0329 214 LEU A CD2 1614 N N . SER A 215 ? 0.4218 0.2884 0.3645 0.0595 0.0142 0.0232 215 SER A N 1615 C CA . SER A 215 ? 0.4476 0.3157 0.3859 0.0607 0.0115 0.0168 215 SER A CA 1616 C C . SER A 215 ? 0.4583 0.3376 0.3879 0.0650 0.0139 0.0151 215 SER A C 1617 O O . SER A 215 ? 0.5268 0.4115 0.4512 0.0646 0.0162 0.0217 215 SER A O 1618 C CB . SER A 215 ? 0.5321 0.3989 0.4699 0.0570 0.0092 0.0200 215 SER A CB 1619 O OG . SER A 215 ? 0.6760 0.5446 0.6125 0.0570 0.0052 0.0131 215 SER A OG 1620 N N . PRO A 216 ? 0.4030 0.2850 0.3302 0.0695 0.0136 0.0064 216 PRO A N 1621 C CA . PRO A 216 ? 0.4528 0.3468 0.3700 0.0741 0.0163 0.0041 216 PRO A CA 1622 C C . PRO A 216 ? 0.5391 0.4387 0.4468 0.0739 0.0142 0.0057 216 PRO A C 1623 O O . PRO A 216 ? 0.6716 0.5803 0.5707 0.0761 0.0179 0.0104 216 PRO A O 1624 C CB . PRO A 216 ? 0.4128 0.3055 0.3294 0.0790 0.0149 -0.0080 216 PRO A CB 1625 C CG . PRO A 216 ? 0.3334 0.2152 0.2610 0.0781 0.0142 -0.0083 216 PRO A CG 1626 C CD . PRO A 216 ? 0.3742 0.2477 0.3073 0.0712 0.0116 -0.0011 216 PRO A CD 1627 N N . PRO A 217 ? 0.3183 0.2136 0.2278 0.0712 0.0084 0.0024 217 PRO A N 1628 C CA . PRO A 217 ? 0.4485 0.3513 0.3499 0.0721 0.0059 0.0050 217 PRO A CA 1629 C C . PRO A 217 ? 0.4249 0.3295 0.3226 0.0718 0.0094 0.0174 217 PRO A C 1630 O O . PRO A 217 ? 0.4545 0.3658 0.3428 0.0745 0.0083 0.0206 217 PRO A O 1631 C CB . PRO A 217 ? 0.3186 0.2172 0.2275 0.0680 -0.0002 0.0012 217 PRO A CB 1632 C CG . PRO A 217 ? 0.7455 0.6363 0.6606 0.0665 -0.0018 -0.0081 217 PRO A CG 1633 C CD . PRO A 217 ? 0.6950 0.5811 0.6124 0.0684 0.0036 -0.0054 217 PRO A CD 1634 N N . SER A 218 ? 0.3718 0.2699 0.2762 0.0687 0.0131 0.0241 218 SER A N 1635 C CA . SER A 218 ? 0.3070 0.2033 0.2086 0.0675 0.0159 0.0350 218 SER A CA 1636 C C . SER A 218 ? 0.4496 0.3504 0.3461 0.0681 0.0222 0.0405 218 SER A C 1637 O O . SER A 218 ? 0.4413 0.3414 0.3320 0.0675 0.0247 0.0495 218 SER A O 1638 C CB . SER A 218 ? 0.4354 0.3216 0.3466 0.0630 0.0157 0.0387 218 SER A CB 1639 O OG . SER A 218 ? 0.4720 0.3553 0.3890 0.0617 0.0110 0.0343 218 SER A OG 1640 N N . ARG A 219 ? 0.3981 0.3036 0.2974 0.0692 0.0249 0.0353 219 ARG A N 1641 C CA . ARG A 219 ? 0.4172 0.3296 0.3157 0.0688 0.0317 0.0402 219 ARG A CA 1642 C C . ARG A 219 ? 0.4074 0.3277 0.2927 0.0705 0.0356 0.0468 219 ARG A C 1643 O O . ARG A 219 ? 0.4127 0.3356 0.2977 0.0674 0.0413 0.0552 219 ARG A O 1644 C CB . ARG A 219 ? 0.4907 0.4092 0.3944 0.0719 0.0336 0.0320 219 ARG A CB 1645 C CG . ARG A 219 ? 0.5180 0.4282 0.4350 0.0698 0.0312 0.0294 219 ARG A CG 1646 C CD . ARG A 219 ? 0.5217 0.4271 0.4452 0.0638 0.0325 0.0386 219 ARG A CD 1647 N NE . ARG A 219 ? 0.5905 0.5057 0.5158 0.0620 0.0387 0.0442 219 ARG A NE 1648 C CZ . ARG A 219 ? 0.6852 0.6089 0.6190 0.0634 0.0414 0.0416 219 ARG A CZ 1649 N NH1 . ARG A 219 ? 0.7558 0.6770 0.6960 0.0676 0.0383 0.0338 219 ARG A NH1 1650 N NH2 . ARG A 219 ? 0.6481 0.5831 0.5848 0.0606 0.0473 0.0473 219 ARG A NH2 1651 N N . GLY A 220 ? 0.3865 0.3109 0.2609 0.0750 0.0324 0.0433 220 GLY A N 1652 C CA . GLY A 220 ? 0.4817 0.4128 0.3413 0.0773 0.0352 0.0505 220 GLY A CA 1653 C C . GLY A 220 ? 0.4850 0.4070 0.3410 0.0754 0.0337 0.0616 220 GLY A C 1654 O O . GLY A 220 ? 0.4864 0.4112 0.3290 0.0778 0.0351 0.0690 220 GLY A O 1655 N N . LEU A 221 ? 0.4223 0.3327 0.2892 0.0716 0.0311 0.0629 221 LEU A N 1656 C CA . LEU A 221 ? 0.3858 0.2861 0.2498 0.0712 0.0291 0.0715 221 LEU A CA 1657 C C . LEU A 221 ? 0.4315 0.3215 0.2998 0.0653 0.0336 0.0806 221 LEU A C 1658 O O . LEU A 221 ? 0.3594 0.2384 0.2249 0.0652 0.0323 0.0876 221 LEU A O 1659 C CB . LEU A 221 ? 0.3982 0.2935 0.2697 0.0721 0.0223 0.0659 221 LEU A CB 1660 C CG . LEU A 221 ? 0.4750 0.3792 0.3429 0.0770 0.0163 0.0579 221 LEU A CG 1661 C CD1 . LEU A 221 ? 0.3241 0.2246 0.2046 0.0749 0.0114 0.0512 221 LEU A CD1 1662 C CD2 . LEU A 221 ? 0.3493 0.2562 0.2050 0.0824 0.0137 0.0645 221 LEU A CD2 1663 N N . PHE A 222 ? 0.3378 0.2311 0.2133 0.0606 0.0384 0.0800 222 PHE A N 1664 C CA . PHE A 222 ? 0.4161 0.3012 0.2966 0.0536 0.0423 0.0878 222 PHE A CA 1665 C C . PHE A 222 ? 0.3726 0.2693 0.2585 0.0499 0.0484 0.0876 222 PHE A C 1666 O O . PHE A 222 ? 0.3521 0.2616 0.2379 0.0539 0.0494 0.0806 222 PHE A O 1667 C CB . PHE A 222 ? 0.4502 0.3233 0.3410 0.0505 0.0384 0.0852 222 PHE A CB 1668 C CG . PHE A 222 ? 0.4829 0.3611 0.3851 0.0497 0.0369 0.0764 222 PHE A CG 1669 C CD1 . PHE A 222 ? 0.5184 0.4005 0.4218 0.0543 0.0328 0.0678 222 PHE A CD1 1670 C CD2 . PHE A 222 ? 0.5454 0.4242 0.4572 0.0441 0.0391 0.0769 222 PHE A CD2 1671 C CE1 . PHE A 222 ? 0.5840 0.4682 0.4970 0.0538 0.0314 0.0607 222 PHE A CE1 1672 C CE2 . PHE A 222 ? 0.5576 0.4406 0.4789 0.0446 0.0372 0.0697 222 PHE A CE2 1673 C CZ . PHE A 222 ? 0.5558 0.4403 0.4772 0.0496 0.0336 0.0620 222 PHE A CZ 1674 N N . HIS A 223 ? 0.3404 0.2331 0.2315 0.0424 0.0523 0.0945 223 HIS A N 1675 C CA . HIS A 223 ? 0.4610 0.3677 0.3581 0.0380 0.0590 0.0961 223 HIS A CA 1676 C C . HIS A 223 ? 0.4277 0.3323 0.3395 0.0302 0.0591 0.0962 223 HIS A C 1677 O O . HIS A 223 ? 0.4476 0.3666 0.3685 0.0272 0.0633 0.0952 223 HIS A O 1678 C CB . HIS A 223 ? 0.3600 0.2704 0.2462 0.0355 0.0658 0.1070 223 HIS A CB 1679 C CG . HIS A 223 ? 0.6490 0.5591 0.5182 0.0430 0.0646 0.1088 223 HIS A CG 1680 N ND1 . HIS A 223 ? 0.5871 0.4813 0.4472 0.0452 0.0602 0.1141 223 HIS A ND1 1681 C CD2 . HIS A 223 ? 0.7113 0.6359 0.5709 0.0497 0.0665 0.1053 223 HIS A CD2 1682 C CE1 . HIS A 223 ? 0.6476 0.5476 0.4937 0.0526 0.0591 0.1144 223 HIS A CE1 1683 N NE2 . HIS A 223 ? 0.6946 0.6125 0.5392 0.0551 0.0628 0.1089 223 HIS A NE2 1684 N N . ARG A 224 ? 0.4356 0.3234 0.3495 0.0273 0.0543 0.0969 224 ARG A N 1685 C CA . ARG A 224 ? 0.3556 0.2400 0.2817 0.0201 0.0530 0.0960 224 ARG A CA 1686 C C . ARG A 224 ? 0.4287 0.2990 0.3556 0.0222 0.0462 0.0912 224 ARG A C 1687 O O . ARG A 224 ? 0.3920 0.2525 0.3103 0.0271 0.0436 0.0915 224 ARG A O 1688 C CB . ARG A 224 ? 0.3632 0.2396 0.2887 0.0107 0.0565 0.1053 224 ARG A CB 1689 C CG . ARG A 224 ? 0.4461 0.3380 0.3732 0.0059 0.0643 0.1113 224 ARG A CG 1690 C CD . ARG A 224 ? 0.3637 0.2440 0.2884 -0.0043 0.0678 0.1218 224 ARG A CD 1691 N NE . ARG A 224 ? 0.7865 0.6843 0.7138 -0.0098 0.0762 0.1280 224 ARG A NE 1692 C CZ . ARG A 224 ? 0.7355 0.6395 0.6506 -0.0064 0.0820 0.1344 224 ARG A CZ 1693 N NH1 . ARG A 224 ? 0.7087 0.6026 0.6085 0.0027 0.0791 0.1351 224 ARG A NH1 1694 N NH2 . ARG A 224 ? 0.7585 0.6804 0.6768 -0.0120 0.0905 0.1400 224 ARG A NH2 1695 N N . ALA A 225 ? 0.5470 0.4178 0.4844 0.0189 0.0434 0.0870 225 ALA A N 1696 C CA . ALA A 225 ? 0.4509 0.3099 0.3890 0.0203 0.0376 0.0826 225 ALA A CA 1697 C C . ALA A 225 ? 0.3430 0.1952 0.2869 0.0126 0.0359 0.0833 225 ALA A C 1698 O O . ALA A 225 ? 0.3438 0.2065 0.2967 0.0073 0.0372 0.0836 225 ALA A O 1699 C CB . ALA A 225 ? 0.4323 0.2991 0.3756 0.0258 0.0347 0.0752 225 ALA A CB 1700 N N . VAL A 226 ? 0.4314 0.2674 0.3705 0.0122 0.0328 0.0829 226 VAL A N 1701 C CA . VAL A 226 ? 0.5181 0.3467 0.4613 0.0057 0.0298 0.0812 226 VAL A CA 1702 C C . VAL A 226 ? 0.4907 0.3138 0.4326 0.0099 0.0251 0.0754 226 VAL A C 1703 O O . VAL A 226 ? 0.5445 0.3577 0.4793 0.0146 0.0244 0.0749 226 VAL A O 1704 C CB . VAL A 226 ? 0.4992 0.3104 0.4365 0.0002 0.0307 0.0857 226 VAL A CB 1705 C CG1 . VAL A 226 ? 0.5496 0.3527 0.4900 -0.0058 0.0267 0.0817 226 VAL A CG1 1706 C CG2 . VAL A 226 ? 0.4004 0.2153 0.3389 -0.0059 0.0358 0.0929 226 VAL A CG2 1707 N N . LEU A 227 ? 0.4977 0.3281 0.4465 0.0083 0.0221 0.0716 227 LEU A N 1708 C CA . LEU A 227 ? 0.4665 0.2925 0.4132 0.0118 0.0182 0.0673 227 LEU A CA 1709 C C . LEU A 227 ? 0.4621 0.2791 0.4069 0.0069 0.0149 0.0651 227 LEU A C 1710 O O . LEU A 227 ? 0.3907 0.2143 0.3416 0.0019 0.0124 0.0640 227 LEU A O 1711 C CB . LEU A 227 ? 0.3082 0.1464 0.2612 0.0154 0.0166 0.0647 227 LEU A CB 1712 C CG . LEU A 227 ? 0.3712 0.2141 0.3233 0.0219 0.0186 0.0643 227 LEU A CG 1713 C CD1 . LEU A 227 ? 0.4404 0.2925 0.3948 0.0216 0.0226 0.0667 227 LEU A CD1 1714 C CD2 . LEU A 227 ? 0.4103 0.2586 0.3667 0.0258 0.0161 0.0611 227 LEU A CD2 1715 N N . GLN A 228 ? 0.4899 0.2930 0.4264 0.0087 0.0145 0.0639 228 GLN A N 1716 C CA . GLN A 228 ? 0.5374 0.3306 0.4702 0.0044 0.0115 0.0606 228 GLN A CA 1717 C C . GLN A 228 ? 0.5453 0.3382 0.4739 0.0080 0.0088 0.0565 228 GLN A C 1718 O O . GLN A 228 ? 0.5007 0.2909 0.4249 0.0134 0.0099 0.0552 228 GLN A O 1719 C CB . GLN A 228 ? 0.4713 0.2499 0.3984 0.0034 0.0128 0.0610 228 GLN A CB 1720 C CG . GLN A 228 ? 0.3754 0.1507 0.3049 -0.0023 0.0154 0.0662 228 GLN A CG 1721 C CD . GLN A 228 ? 0.5141 0.2822 0.4415 -0.0008 0.0157 0.0664 228 GLN A CD 1722 O OE1 . GLN A 228 ? 0.6027 0.3759 0.5291 0.0065 0.0161 0.0663 228 GLN A OE1 1723 N NE2 . GLN A 228 ? 0.5725 0.3275 0.4990 -0.0078 0.0152 0.0667 228 GLN A NE2 1724 N N . SER A 229 ? 0.5023 0.3020 0.4340 0.0048 0.0048 0.0544 229 SER A N 1725 C CA . SER A 229 ? 0.5448 0.3443 0.4710 0.0073 0.0020 0.0514 229 SER A CA 1726 C C . SER A 229 ? 0.4516 0.2550 0.3772 0.0139 0.0040 0.0531 229 SER A C 1727 O O . SER A 229 ? 0.4663 0.2653 0.3849 0.0169 0.0045 0.0516 229 SER A O 1728 C CB . SER A 229 ? 0.5600 0.3457 0.4758 0.0067 0.0014 0.0473 229 SER A CB 1729 O OG . SER A 229 ? 0.5988 0.3771 0.5150 -0.0001 -0.0002 0.0454 229 SER A OG 1730 N N . GLY A 230 ? 0.3445 0.1563 0.2774 0.0158 0.0054 0.0557 230 GLY A N 1731 C CA . GLY A 230 ? 0.3823 0.1968 0.3156 0.0209 0.0068 0.0566 230 GLY A CA 1732 C C . GLY A 230 ? 0.4437 0.2674 0.3851 0.0226 0.0071 0.0580 230 GLY A C 1733 O O . GLY A 230 ? 0.5750 0.4039 0.5214 0.0206 0.0080 0.0588 230 GLY A O 1734 N N . ALA A 231 ? 0.3108 0.1364 0.2535 0.0262 0.0068 0.0582 231 ALA A N 1735 C CA . ALA A 231 ? 0.3578 0.1905 0.3074 0.0290 0.0072 0.0582 231 ALA A CA 1736 C C . ALA A 231 ? 0.5138 0.3443 0.4632 0.0321 0.0076 0.0574 231 ALA A C 1737 O O . ALA A 231 ? 0.6013 0.4307 0.5492 0.0310 0.0061 0.0571 231 ALA A O 1738 C CB . ALA A 231 ? 0.3189 0.1586 0.2743 0.0292 0.0039 0.0586 231 ALA A CB 1739 N N . PRO A 232 ? 0.5179 0.3513 0.4704 0.0349 0.0092 0.0559 232 PRO A N 1740 C CA . PRO A 232 ? 0.4456 0.2774 0.3991 0.0365 0.0089 0.0538 232 PRO A CA 1741 C C . PRO A 232 ? 0.4427 0.2721 0.3987 0.0371 0.0060 0.0543 232 PRO A C 1742 O O . PRO A 232 ? 0.4926 0.3194 0.4495 0.0361 0.0054 0.0533 232 PRO A O 1743 C CB . PRO A 232 ? 0.4071 0.2431 0.3627 0.0398 0.0105 0.0514 232 PRO A CB 1744 C CG . PRO A 232 ? 0.3823 0.2254 0.3413 0.0402 0.0109 0.0522 232 PRO A CG 1745 C CD . PRO A 232 ? 0.4913 0.3327 0.4477 0.0360 0.0109 0.0552 232 PRO A CD 1746 N N . ASN A 233 ? 0.5089 0.3381 0.4658 0.0390 0.0043 0.0564 233 ASN A N 1747 C CA . ASN A 233 ? 0.5810 0.4073 0.5397 0.0407 0.0009 0.0578 233 ASN A CA 1748 C C . ASN A 233 ? 0.5994 0.4243 0.5537 0.0377 -0.0014 0.0611 233 ASN A C 1749 O O . ASN A 233 ? 0.6510 0.4732 0.6055 0.0394 -0.0044 0.0636 233 ASN A O 1750 C CB . ASN A 233 ? 0.5121 0.3428 0.4767 0.0462 -0.0008 0.0573 233 ASN A CB 1751 C CG . ASN A 233 ? 0.5120 0.3530 0.4794 0.0448 -0.0020 0.0583 233 ASN A CG 1752 O OD1 . ASN A 233 ? 0.4905 0.3342 0.4557 0.0402 -0.0001 0.0582 233 ASN A OD1 1753 N ND2 . ASN A 233 ? 0.5702 0.4171 0.5430 0.0487 -0.0054 0.0591 233 ASN A ND2 1754 N N . GLY A 234 ? 0.4913 0.3168 0.4405 0.0340 0.0000 0.0612 234 GLY A N 1755 C CA . GLY A 234 ? 0.4432 0.2660 0.3854 0.0318 -0.0011 0.0637 234 GLY A CA 1756 C C . GLY A 234 ? 0.5481 0.3692 0.4901 0.0302 -0.0002 0.0651 234 GLY A C 1757 O O . GLY A 234 ? 0.6965 0.5182 0.6429 0.0293 0.0018 0.0630 234 GLY A O 1758 N N . PRO A 235 ? 0.5125 0.3304 0.4480 0.0298 -0.0016 0.0692 235 PRO A N 1759 C CA . PRO A 235 ? 0.4540 0.2686 0.3876 0.0276 -0.0003 0.0726 235 PRO A CA 1760 C C . PRO A 235 ? 0.4072 0.2218 0.3381 0.0243 0.0046 0.0716 235 PRO A C 1761 O O . PRO A 235 ? 0.3837 0.1955 0.3154 0.0217 0.0066 0.0741 235 PRO A O 1762 C CB . PRO A 235 ? 0.3105 0.1220 0.2339 0.0285 -0.0027 0.0778 235 PRO A CB 1763 C CG . PRO A 235 ? 0.3101 0.1221 0.2277 0.0301 -0.0046 0.0758 235 PRO A CG 1764 C CD . PRO A 235 ? 0.5728 0.3887 0.5007 0.0316 -0.0051 0.0717 235 PRO A CD 1765 N N . TRP A 236 ? 0.3513 0.1680 0.2793 0.0246 0.0068 0.0684 236 TRP A N 1766 C CA . TRP A 236 ? 0.2929 0.1093 0.2179 0.0234 0.0117 0.0678 236 TRP A CA 1767 C C . TRP A 236 ? 0.4974 0.3172 0.4306 0.0239 0.0129 0.0639 236 TRP A C 1768 O O . TRP A 236 ? 0.5459 0.3656 0.4785 0.0238 0.0169 0.0637 236 TRP A O 1769 C CB . TRP A 236 ? 0.4059 0.2199 0.3209 0.0248 0.0134 0.0666 236 TRP A CB 1770 C CG . TRP A 236 ? 0.4125 0.2276 0.3300 0.0260 0.0103 0.0633 236 TRP A CG 1771 C CD1 . TRP A 236 ? 0.4792 0.2923 0.3940 0.0263 0.0061 0.0641 236 TRP A CD1 1772 C CD2 . TRP A 236 ? 0.4245 0.2423 0.3474 0.0267 0.0111 0.0596 236 TRP A CD2 1773 N NE1 . TRP A 236 ? 0.4716 0.2855 0.3903 0.0264 0.0050 0.0612 236 TRP A NE1 1774 C CE2 . TRP A 236 ? 0.4776 0.2946 0.4011 0.0266 0.0082 0.0586 236 TRP A CE2 1775 C CE3 . TRP A 236 ? 0.3543 0.1744 0.2806 0.0278 0.0141 0.0577 236 TRP A CE3 1776 C CZ2 . TRP A 236 ? 0.3941 0.2125 0.3215 0.0266 0.0086 0.0563 236 TRP A CZ2 1777 C CZ3 . TRP A 236 ? 0.3743 0.1963 0.3040 0.0289 0.0137 0.0553 236 TRP A CZ3 1778 C CH2 . TRP A 236 ? 0.3402 0.1613 0.2703 0.0279 0.0113 0.0547 236 TRP A CH2 1779 N N . ALA A 237 ? 0.4526 0.2750 0.3923 0.0253 0.0098 0.0613 237 ALA A N 1780 C CA . ALA A 237 ? 0.4505 0.2755 0.3948 0.0266 0.0108 0.0580 237 ALA A CA 1781 C C . ALA A 237 ? 0.4501 0.2727 0.3993 0.0261 0.0111 0.0573 237 ALA A C 1782 O O . ALA A 237 ? 0.5291 0.3521 0.4795 0.0271 0.0129 0.0555 237 ALA A O 1783 C CB . ALA A 237 ? 0.4250 0.2528 0.3714 0.0285 0.0090 0.0560 237 ALA A CB 1784 N N . THR A 238 ? 0.4435 0.2621 0.3950 0.0248 0.0091 0.0588 238 THR A N 1785 C CA . THR A 238 ? 0.4642 0.2770 0.4198 0.0234 0.0092 0.0578 238 THR A CA 1786 C C . THR A 238 ? 0.4521 0.2587 0.4073 0.0190 0.0099 0.0621 238 THR A C 1787 O O . THR A 238 ? 0.6511 0.4575 0.6031 0.0183 0.0088 0.0661 238 THR A O 1788 C CB . THR A 238 ? 0.4210 0.2309 0.3808 0.0267 0.0064 0.0542 238 THR A CB 1789 O OG1 . THR A 238 ? 0.4992 0.3099 0.4597 0.0290 0.0035 0.0557 238 THR A OG1 1790 C CG2 . THR A 238 ? 0.3691 0.1829 0.3280 0.0304 0.0075 0.0504 238 THR A CG2 1791 N N . VAL A 239 ? 0.3958 0.1966 0.3540 0.0156 0.0120 0.0617 239 VAL A N 1792 C CA . VAL A 239 ? 0.4081 0.2018 0.3671 0.0098 0.0133 0.0663 239 VAL A CA 1793 C C . VAL A 239 ? 0.5354 0.3188 0.5002 0.0079 0.0110 0.0629 239 VAL A C 1794 O O . VAL A 239 ? 0.5869 0.3733 0.5555 0.0101 0.0094 0.0560 239 VAL A O 1795 C CB . VAL A 239 ? 0.3652 0.1665 0.3250 0.0049 0.0185 0.0683 239 VAL A CB 1796 C CG1 . VAL A 239 ? 0.3022 0.1137 0.2708 0.0036 0.0182 0.0616 239 VAL A CG1 1797 C CG2 . VAL A 239 ? 0.5240 0.3187 0.4836 -0.0021 0.0211 0.0748 239 VAL A CG2 1798 N N . GLY A 240 ? 0.5952 0.3699 0.5615 0.0037 0.0095 0.0666 240 GLY A N 1799 C CA . GLY A 240 ? 0.6131 0.3754 0.5848 0.0015 0.0069 0.0629 240 GLY A CA 1800 C C . GLY A 240 ? 0.5517 0.3144 0.5295 -0.0064 0.0094 0.0597 240 GLY A C 1801 O O . GLY A 240 ? 0.5487 0.3263 0.5288 -0.0097 0.0127 0.0605 240 GLY A O 1802 N N . MET A 241 ? 0.5516 0.3034 0.5346 -0.0095 0.0064 0.0545 241 MET A N 1803 C CA . MET A 241 ? 0.5922 0.3511 0.5844 -0.0182 0.0064 0.0494 241 MET A CA 1804 C C . MET A 241 ? 0.6112 0.3666 0.6064 -0.0288 0.0103 0.0576 241 MET A C 1805 O O . MET A 241 ? 0.5835 0.3550 0.5851 -0.0352 0.0134 0.0579 241 MET A O 1806 C CB . MET A 241 ? 0.6997 0.4467 0.6958 -0.0189 0.0014 0.0402 241 MET A CB 1807 C CG . MET A 241 ? 0.6991 0.4581 0.6957 -0.0126 -0.0017 0.0296 241 MET A CG 1808 S SD . MET A 241 ? 0.6832 0.4238 0.6812 -0.0120 -0.0073 0.0187 241 MET A SD 1809 C CE . MET A 241 ? 1.6359 1.3542 1.6266 -0.0042 -0.0072 0.0253 241 MET A CE 1810 N N . GLY A 242 ? 0.6401 0.3748 0.6305 -0.0302 0.0103 0.0646 242 GLY A N 1811 C CA . GLY A 242 ? 0.6055 0.3347 0.5965 -0.0402 0.0147 0.0745 242 GLY A CA 1812 C C . GLY A 242 ? 0.5048 0.2528 0.4923 -0.0404 0.0206 0.0810 242 GLY A C 1813 O O . GLY A 242 ? 0.3903 0.1499 0.3841 -0.0495 0.0252 0.0837 242 GLY A O 1814 N N . GLU A 243 ? 0.4344 0.1864 0.4124 -0.0303 0.0203 0.0826 243 GLU A N 1815 C CA . GLU A 243 ? 0.5391 0.3063 0.5116 -0.0293 0.0255 0.0878 243 GLU A CA 1816 C C . GLU A 243 ? 0.5627 0.3532 0.5432 -0.0306 0.0281 0.0818 243 GLU A C 1817 O O . GLU A 243 ? 0.5920 0.3954 0.5725 -0.0341 0.0339 0.0859 243 GLU A O 1818 C CB . GLU A 243 ? 0.6429 0.4119 0.6049 -0.0189 0.0221 0.0884 243 GLU A CB 1819 C CG . GLU A 243 ? 0.8058 0.5754 0.7584 -0.0195 0.0227 0.0971 243 GLU A CG 1820 C CD . GLU A 243 ? 0.8152 0.5935 0.7640 -0.0244 0.0319 0.1030 243 GLU A CD 1821 O OE1 . GLU A 243 ? 0.6577 0.4474 0.6037 -0.0197 0.0351 0.1002 243 GLU A OE1 1822 O OE2 . GLU A 243 ? 0.8715 0.6468 0.8208 -0.0330 0.0358 0.1100 243 GLU A OE2 1823 N N . ALA A 244 ? 0.5625 0.3592 0.5494 -0.0272 0.0241 0.0722 244 ALA A N 1824 C CA . ALA A 244 ? 0.5450 0.3636 0.5386 -0.0265 0.0257 0.0671 244 ALA A CA 1825 C C . ALA A 244 ? 0.4682 0.2969 0.4751 -0.0371 0.0274 0.0655 244 ALA A C 1826 O O . ALA A 244 ? 0.4365 0.2859 0.4501 -0.0378 0.0303 0.0638 244 ALA A O 1827 C CB . ALA A 244 ? 0.5567 0.3794 0.5502 -0.0181 0.0209 0.0587 244 ALA A CB 1828 N N . ARG A 245 ? 0.4142 0.2286 0.4257 -0.0452 0.0253 0.0656 245 ARG A N 1829 C CA . ARG A 245 ? 0.4153 0.2381 0.4404 -0.0576 0.0268 0.0647 245 ARG A CA 1830 C C . ARG A 245 ? 0.4748 0.3042 0.4999 -0.0645 0.0349 0.0749 245 ARG A C 1831 O O . ARG A 245 ? 0.4261 0.2757 0.4627 -0.0715 0.0388 0.0746 245 ARG A O 1832 C CB . ARG A 245 ? 0.3756 0.1773 0.4046 -0.0651 0.0224 0.0622 245 ARG A CB 1833 C CG . ARG A 245 ? 0.4248 0.2352 0.4693 -0.0794 0.0231 0.0600 245 ARG A CG 1834 C CD . ARG A 245 ? 0.4090 0.1986 0.4577 -0.0859 0.0170 0.0539 245 ARG A CD 1835 N NE . ARG A 245 ? 0.5765 0.3823 0.6404 -0.0943 0.0136 0.0443 245 ARG A NE 1836 C CZ . ARG A 245 ? 0.7221 0.5385 0.7879 -0.0878 0.0073 0.0326 245 ARG A CZ 1837 N NH1 . ARG A 245 ? 0.8308 0.6425 0.8846 -0.0735 0.0047 0.0297 245 ARG A NH1 1838 N NH2 . ARG A 245 ? 0.6369 0.4694 0.7167 -0.0960 0.0035 0.0242 245 ARG A NH2 1839 N N . ARG A 246 ? 0.5281 0.3418 0.5401 -0.0621 0.0374 0.0839 246 ARG A N 1840 C CA . ARG A 246 ? 0.4204 0.2391 0.4279 -0.0671 0.0454 0.0945 246 ARG A CA 1841 C C . ARG A 246 ? 0.4508 0.2952 0.4585 -0.0614 0.0502 0.0928 246 ARG A C 1842 O O . ARG A 246 ? 0.5368 0.3989 0.5519 -0.0682 0.0569 0.0958 246 ARG A O 1843 C CB . ARG A 246 ? 0.4603 0.2580 0.4511 -0.0625 0.0453 0.1034 246 ARG A CB 1844 C CG . ARG A 246 ? 0.6802 0.4684 0.6671 -0.0726 0.0511 0.1159 246 ARG A CG 1845 C CD . ARG A 246 ? 0.7665 0.5552 0.7364 -0.0668 0.0554 0.1248 246 ARG A CD 1846 N NE . ARG A 246 ? 0.8260 0.6408 0.7961 -0.0636 0.0612 0.1223 246 ARG A NE 1847 C CZ . ARG A 246 ? 0.8258 0.6473 0.7868 -0.0520 0.0598 0.1181 246 ARG A CZ 1848 N NH1 . ARG A 246 ? 0.7440 0.5505 0.6960 -0.0433 0.0530 0.1163 246 ARG A NH1 1849 N NH2 . ARG A 246 ? 0.8047 0.6481 0.7661 -0.0490 0.0653 0.1154 246 ARG A NH2 1850 N N . ARG A 247 ? 0.3520 0.1985 0.3522 -0.0490 0.0471 0.0878 247 ARG A N 1851 C CA . ARG A 247 ? 0.3402 0.2067 0.3385 -0.0420 0.0511 0.0858 247 ARG A CA 1852 C C . ARG A 247 ? 0.5262 0.4163 0.5407 -0.0442 0.0520 0.0794 247 ARG A C 1853 O O . ARG A 247 ? 0.5514 0.4611 0.5700 -0.0444 0.0583 0.0806 247 ARG A O 1854 C CB . ARG A 247 ? 0.3536 0.2144 0.3412 -0.0295 0.0468 0.0816 247 ARG A CB 1855 C CG . ARG A 247 ? 0.3360 0.1764 0.3094 -0.0263 0.0445 0.0868 247 ARG A CG 1856 C CD . ARG A 247 ? 0.3833 0.2256 0.3446 -0.0167 0.0447 0.0859 247 ARG A CD 1857 N NE . ARG A 247 ? 0.3892 0.2144 0.3384 -0.0134 0.0413 0.0901 247 ARG A NE 1858 C CZ . ARG A 247 ? 0.3987 0.2202 0.3411 -0.0055 0.0372 0.0868 247 ARG A CZ 1859 N NH1 . ARG A 247 ? 0.3753 0.2062 0.3206 -0.0003 0.0366 0.0800 247 ARG A NH1 1860 N NH2 . ARG A 247 ? 0.5050 0.3138 0.4384 -0.0028 0.0337 0.0905 247 ARG A NH2 1861 N N . ALA A 248 ? 0.5764 0.4656 0.6002 -0.0454 0.0455 0.0723 248 ALA A N 1862 C CA . ALA A 248 ? 0.5787 0.4910 0.6182 -0.0473 0.0447 0.0658 248 ALA A CA 1863 C C . ALA A 248 ? 0.5308 0.4551 0.5842 -0.0612 0.0496 0.0693 248 ALA A C 1864 O O . ALA A 248 ? 0.5940 0.5441 0.6602 -0.0626 0.0524 0.0668 248 ALA A O 1865 C CB . ALA A 248 ? 0.5958 0.5038 0.6393 -0.0449 0.0359 0.0572 248 ALA A CB 1866 N N . THR A 249 ? 0.4626 0.3687 0.5143 -0.0716 0.0506 0.0753 249 THR A N 1867 C CA . THR A 249 ? 0.4467 0.3629 0.5121 -0.0868 0.0558 0.0796 249 THR A CA 1868 C C . THR A 249 ? 0.4710 0.4012 0.5328 -0.0877 0.0664 0.0883 249 THR A C 1869 O O . THR A 249 ? 0.4543 0.4078 0.5303 -0.0960 0.0723 0.0896 249 THR A O 1870 C CB . THR A 249 ? 0.4465 0.3366 0.5116 -0.0988 0.0538 0.0840 249 THR A CB 1871 O OG1 . THR A 249 ? 0.4660 0.3431 0.5339 -0.0974 0.0441 0.0745 249 THR A OG1 1872 C CG2 . THR A 249 ? 0.5087 0.4109 0.5898 -0.1159 0.0592 0.0882 249 THR A CG2 1873 N N . GLN A 250 ? 0.5336 0.4511 0.5764 -0.0792 0.0689 0.0938 250 GLN A N 1874 C CA . GLN A 250 ? 0.5888 0.5199 0.6250 -0.0779 0.0788 0.1007 250 GLN A CA 1875 C C . GLN A 250 ? 0.5534 0.5143 0.5980 -0.0698 0.0816 0.0937 250 GLN A C 1876 O O . GLN A 250 ? 0.5444 0.5291 0.5987 -0.0747 0.0898 0.0961 250 GLN A O 1877 C CB . GLN A 250 ? 0.6891 0.6010 0.7024 -0.0696 0.0792 0.1063 250 GLN A CB 1878 C CG . GLN A 250 ? 0.8622 0.7711 0.8659 -0.0768 0.0879 0.1186 250 GLN A CG 1879 C CD . GLN A 250 ? 0.9512 0.8649 0.9371 -0.0665 0.0926 0.1207 250 GLN A CD 1880 O OE1 . GLN A 250 ? 0.9454 0.8483 0.9194 -0.0552 0.0869 0.1164 250 GLN A OE1 1881 N NE2 . GLN A 250 ? 0.9751 0.9056 0.9590 -0.0706 0.1031 0.1269 250 GLN A NE2 1882 N N . LEU A 251 ? 0.4634 0.4231 0.5049 -0.0572 0.0749 0.0854 251 LEU A N 1883 C CA . LEU A 251 ? 0.4177 0.4025 0.4674 -0.0480 0.0759 0.0784 251 LEU A CA 1884 C C . LEU A 251 ? 0.4401 0.4515 0.5133 -0.0563 0.0770 0.0753 251 LEU A C 1885 O O . LEU A 251 ? 0.3937 0.4316 0.4758 -0.0545 0.0837 0.0749 251 LEU A O 1886 C CB . LEU A 251 ? 0.3128 0.2885 0.3564 -0.0354 0.0674 0.0710 251 LEU A CB 1887 C CG . LEU A 251 ? 0.4667 0.4639 0.5168 -0.0239 0.0672 0.0643 251 LEU A CG 1888 C CD1 . LEU A 251 ? 0.4365 0.4505 0.4847 -0.0193 0.0767 0.0664 251 LEU A CD1 1889 C CD2 . LEU A 251 ? 0.5152 0.4976 0.5535 -0.0117 0.0607 0.0600 251 LEU A CD2 1890 N N . ALA A 252 ? 0.5216 0.5266 0.6051 -0.0654 0.0703 0.0725 252 ALA A N 1891 C CA . ALA A 252 ? 0.4866 0.5157 0.5932 -0.0760 0.0702 0.0693 252 ALA A CA 1892 C C . ALA A 252 ? 0.5592 0.6052 0.6738 -0.0870 0.0815 0.0772 252 ALA A C 1893 O O . ALA A 252 ? 0.4467 0.5250 0.5779 -0.0879 0.0858 0.0750 252 ALA A O 1894 C CB . ALA A 252 ? 0.4078 0.4207 0.5207 -0.0867 0.0619 0.0661 252 ALA A CB 1895 N N . HIS A 253 ? 0.6763 0.7012 0.7786 -0.0945 0.0863 0.0868 253 HIS A N 1896 C CA . HIS A 253 ? 0.6782 0.7156 0.7859 -0.1069 0.0975 0.0963 253 HIS A CA 1897 C C . HIS A 253 ? 0.5901 0.6529 0.6949 -0.0976 0.1075 0.0977 253 HIS A C 1898 O O . HIS A 253 ? 0.6144 0.7078 0.7358 -0.1042 0.1152 0.0988 253 HIS A O 1899 C CB . HIS A 253 ? 0.8415 0.8473 0.9334 -0.1154 0.0997 0.1073 253 HIS A CB 1900 C CG . HIS A 253 ? 1.0699 1.0546 1.1695 -0.1288 0.0929 0.1073 253 HIS A CG 1901 N ND1 . HIS A 253 ? 1.1591 1.1143 1.2477 -0.1378 0.0941 0.1174 253 HIS A ND1 1902 C CD2 . HIS A 253 ? 1.0814 1.0693 1.1976 -0.1342 0.0845 0.0981 253 HIS A CD2 1903 C CE1 . HIS A 253 ? 1.1385 1.0782 1.2370 -0.1480 0.0870 0.1140 253 HIS A CE1 1904 N NE2 . HIS A 253 ? 1.1080 1.0675 1.2230 -0.1464 0.0810 0.1018 253 HIS A NE2 1905 N N . LEU A 254 ? 0.5198 0.5707 0.6042 -0.0825 0.1071 0.0968 254 LEU A N 1906 C CA . LEU A 254 ? 0.4562 0.5268 0.5344 -0.0716 0.1158 0.0965 254 LEU A CA 1907 C C . LEU A 254 ? 0.4890 0.5938 0.5873 -0.0655 0.1164 0.0880 254 LEU A C 1908 O O . LEU A 254 ? 0.5925 0.7256 0.6981 -0.0638 0.1262 0.0888 254 LEU A O 1909 C CB . LEU A 254 ? 0.3632 0.4131 0.4185 -0.0559 0.1117 0.0936 254 LEU A CB 1910 C CG . LEU A 254 ? 0.4370 0.4550 0.4701 -0.0578 0.1103 0.1011 254 LEU A CG 1911 C CD1 . LEU A 254 ? 0.4045 0.4065 0.4205 -0.0426 0.1044 0.0956 254 LEU A CD1 1912 C CD2 . LEU A 254 ? 0.3801 0.4024 0.4028 -0.0640 0.1217 0.1115 254 LEU A CD2 1913 N N . VAL A 255 ? 0.4495 0.5521 0.5567 -0.0616 0.1056 0.0800 255 VAL A N 1914 C CA . VAL A 255 ? 0.4187 0.5494 0.5421 -0.0522 0.1031 0.0714 255 VAL A CA 1915 C C . VAL A 255 ? 0.4621 0.6222 0.6134 -0.0660 0.1042 0.0706 255 VAL A C 1916 O O . VAL A 255 ? 0.4435 0.6341 0.6126 -0.0601 0.1031 0.0643 255 VAL A O 1917 C CB . VAL A 255 ? 0.4443 0.5572 0.5597 -0.0398 0.0912 0.0641 255 VAL A CB 1918 C CG1 . VAL A 255 ? 0.4646 0.5901 0.5989 -0.0430 0.0817 0.0573 255 VAL A CG1 1919 C CG2 . VAL A 255 ? 0.3935 0.5088 0.4973 -0.0210 0.0930 0.0605 255 VAL A CG2 1920 N N . GLY A 256 ? 0.4529 0.6037 0.6079 -0.0844 0.1066 0.0774 256 GLY A N 1921 C CA . GLY A 256 ? 0.4476 0.6257 0.6283 -0.1008 0.1102 0.0785 256 GLY A CA 1922 C C . GLY A 256 ? 0.5024 0.6757 0.6981 -0.1121 0.0991 0.0731 256 GLY A C 1923 O O . GLY A 256 ? 0.5832 0.7859 0.8040 -0.1220 0.0989 0.0699 256 GLY A O 1924 N N . CYS A 257 ? 0.5455 0.6829 0.7261 -0.1109 0.0900 0.0716 257 CYS A N 1925 C CA . CYS A 257 ? 0.6080 0.7390 0.7991 -0.1177 0.0780 0.0639 257 CYS A CA 1926 C C . CYS A 257 ? 0.6952 0.7995 0.8860 -0.1360 0.0762 0.0681 257 CYS A C 1927 O O . CYS A 257 ? 0.5546 0.6233 0.7252 -0.1344 0.0752 0.0728 257 CYS A O 1928 C CB . CYS A 257 ? 0.3262 0.4421 0.5040 -0.1008 0.0676 0.0561 257 CYS A CB 1929 S SG . CYS A 257 ? 0.6343 0.7877 0.8245 -0.0846 0.0647 0.0477 257 CYS A SG 1930 N N . PRO A 258 ? 0.8807 1.0025 1.0949 -0.1533 0.0754 0.0661 258 PRO A N 1931 C CA . PRO A 258 ? 1.1307 1.2287 1.3486 -0.1727 0.0732 0.0689 258 PRO A CA 1932 C C . PRO A 258 ? 1.4436 1.5104 1.6513 -0.1687 0.0600 0.0604 258 PRO A C 1933 O O . PRO A 258 ? 1.4530 1.5326 1.6655 -0.1595 0.0509 0.0494 258 PRO A O 1934 C CB . PRO A 258 ? 0.9793 1.1122 1.2281 -0.1893 0.0736 0.0651 258 PRO A CB 1935 C CG . PRO A 258 ? 0.7953 0.9717 1.0553 -0.1793 0.0805 0.0646 258 PRO A CG 1936 C CD . PRO A 258 ? 0.7997 0.9673 1.0397 -0.1550 0.0764 0.0606 258 PRO A CD 1937 N N . PRO A 259 ? 1.6755 1.7021 1.8678 -0.1738 0.0591 0.0658 259 PRO A N 1938 C CA . PRO A 259 ? 1.7642 1.7610 1.9508 -0.1748 0.0476 0.0577 259 PRO A CA 1939 C C . PRO A 259 ? 1.8481 1.8429 2.0538 -0.1964 0.0436 0.0535 259 PRO A C 1940 O O . PRO A 259 ? 1.8992 1.9270 2.1274 -0.2072 0.0457 0.0515 259 PRO A O 1941 C CB . PRO A 259 ? 1.7205 1.6776 1.8831 -0.1700 0.0501 0.0668 259 PRO A CB 1942 C CG . PRO A 259 ? 1.6858 1.6544 1.8385 -0.1617 0.0608 0.0772 259 PRO A CG 1943 C CD . PRO A 259 ? 1.6901 1.6966 1.8636 -0.1718 0.0684 0.0792 259 PRO A CD 1944 N N . GLY A 260 ? 1.8282 1.7856 2.0261 -0.2025 0.0376 0.0516 260 GLY A N 1945 C CA . GLY A 260 ? 1.8349 1.7847 2.0493 -0.2242 0.0343 0.0483 260 GLY A CA 1946 C C . GLY A 260 ? 1.8517 1.7858 2.0673 -0.2248 0.0207 0.0328 260 GLY A C 1947 O O . GLY A 260 ? 1.7770 1.6817 1.9738 -0.2126 0.0154 0.0293 260 GLY A O 1948 N N . GLY A 261 ? 1.9878 1.9425 2.2256 -0.2392 0.0150 0.0230 261 GLY A N 1949 C CA . GLY A 261 ? 2.1239 2.0671 2.3633 -0.2406 0.0016 0.0065 261 GLY A CA 1950 C C . GLY A 261 ? 2.2540 2.2181 2.5186 -0.2592 -0.0058 -0.0052 261 GLY A C 1951 O O . GLY A 261 ? 2.2790 2.2282 2.5548 -0.2804 -0.0047 -0.0031 261 GLY A O 1952 N N . THR A 262 ? 2.3419 2.3402 2.6153 -0.2515 -0.0138 -0.0172 262 THR A N 1953 C CA . THR A 262 ? 2.4201 2.4350 2.7121 -0.2641 -0.0256 -0.0332 262 THR A CA 1954 C C . THR A 262 ? 1.5949 1.6413 1.8855 -0.2463 -0.0347 -0.0446 262 THR A C 1955 O O . THR A 262 ? 1.5965 1.6872 1.9055 -0.2466 -0.0351 -0.0460 262 THR A O 1956 C CB . THR A 262 ? 1.5153 1.5571 1.8379 -0.2894 -0.0221 -0.0309 262 THR A CB 1957 O OG1 . THR A 262 ? 1.5107 1.5203 1.8328 -0.3063 -0.0137 -0.0193 262 THR A OG1 1958 C CG2 . THR A 262 ? 1.4921 1.5479 1.8325 -0.3026 -0.0360 -0.0490 262 THR A CG2 1959 N N . GLY A 263 ? 1.4918 1.5148 1.7603 -0.2307 -0.0419 -0.0522 263 GLY A N 1960 C CA . GLY A 263 ? 1.3369 1.3812 1.5962 -0.2100 -0.0480 -0.0586 263 GLY A CA 1961 C C . GLY A 263 ? 1.2667 1.2847 1.4996 -0.1909 -0.0420 -0.0500 263 GLY A C 1962 O O . GLY A 263 ? 1.2365 1.2242 1.4510 -0.1835 -0.0467 -0.0558 263 GLY A O 1963 N N . GLY A 264 ? 1.2386 1.2692 1.4702 -0.1830 -0.0314 -0.0367 264 GLY A N 1964 C CA . GLY A 264 ? 1.1980 1.2010 1.4084 -0.1712 -0.0232 -0.0255 264 GLY A CA 1965 C C . GLY A 264 ? 1.2117 1.1934 1.4270 -0.1882 -0.0153 -0.0158 264 GLY A C 1966 O O . GLY A 264 ? 1.2350 1.2264 1.4700 -0.2073 -0.0164 -0.0185 264 GLY A O 1967 N N . ASN A 265 ? 1.1798 1.1341 1.3787 -0.1829 -0.0074 -0.0042 265 ASN A N 1968 C CA . ASN A 265 ? 1.1099 1.0563 1.2881 -0.1625 -0.0041 0.0013 265 ASN A CA 1969 C C . ASN A 265 ? 1.0984 1.0239 1.2585 -0.1481 -0.0122 -0.0076 265 ASN A C 1970 O O . ASN A 265 ? 1.0622 0.9678 1.2210 -0.1536 -0.0197 -0.0171 265 ASN A O 1971 C CB . ASN A 265 ? 1.1108 1.0349 1.2793 -0.1648 0.0063 0.0165 265 ASN A CB 1972 C CG . ASN A 265 ? 1.1129 1.0602 1.2801 -0.1567 0.0158 0.0265 265 ASN A CG 1973 O OD1 . ASN A 265 ? 1.0183 0.9996 1.1957 -0.1517 0.0154 0.0227 265 ASN A OD1 1974 N ND2 . ASN A 265 ? 1.1466 1.0755 1.3004 -0.1542 0.0239 0.0389 265 ASN A ND2 1975 N N . ASP A 266 ? 0.9606 0.8907 1.1067 -0.1299 -0.0105 -0.0047 266 ASP A N 1976 C CA . ASP A 266 ? 0.6513 0.6023 0.7976 -0.1226 -0.0021 0.0051 266 ASP A CA 1977 C C . ASP A 266 ? 0.5737 0.5606 0.7288 -0.1149 -0.0054 -0.0004 266 ASP A C 1978 O O . ASP A 266 ? 0.5244 0.5244 0.6744 -0.1027 -0.0010 0.0047 266 ASP A O 1979 C CB . ASP A 266 ? 0.6687 0.6003 0.7940 -0.1079 0.0020 0.0122 266 ASP A CB 1980 C CG . ASP A 266 ? 0.8366 0.7312 0.9495 -0.1089 0.0000 0.0125 266 ASP A CG 1981 O OD1 . ASP A 266 ? 0.8854 0.7691 0.9905 -0.1019 -0.0073 0.0033 266 ASP A OD1 1982 O OD2 . ASP A 266 ? 0.8920 0.7687 1.0025 -0.1161 0.0059 0.0220 266 ASP A OD2 1983 N N . THR A 267 ? 0.6687 0.6711 0.8366 -0.1214 -0.0139 -0.0113 267 THR A N 1984 C CA . THR A 267 ? 0.5553 0.5910 0.7300 -0.1121 -0.0187 -0.0168 267 THR A CA 1985 C C . THR A 267 ? 0.5304 0.5981 0.7226 -0.1158 -0.0116 -0.0105 267 THR A C 1986 O O . THR A 267 ? 0.4560 0.5451 0.6476 -0.1023 -0.0102 -0.0087 267 THR A O 1987 C CB . THR A 267 ? 0.4882 0.5334 0.6711 -0.1177 -0.0307 -0.0308 267 THR A CB 1988 O OG1 . THR A 267 ? 0.5001 0.5113 0.6729 -0.1235 -0.0348 -0.0363 267 THR A OG1 1989 C CG2 . THR A 267 ? 0.4673 0.5292 0.6420 -0.1006 -0.0377 -0.0364 267 THR A CG2 1990 N N . GLU A 268 ? 0.6352 0.7054 0.8424 -0.1337 -0.0065 -0.0066 268 GLU A N 1991 C CA . GLU A 268 ? 0.7156 0.8194 0.9419 -0.1391 0.0012 -0.0010 268 GLU A CA 1992 C C . GLU A 268 ? 0.5349 0.6354 0.7499 -0.1293 0.0131 0.0112 268 GLU A C 1993 O O . GLU A 268 ? 0.3947 0.5249 0.6200 -0.1255 0.0195 0.0149 268 GLU A O 1994 C CB . GLU A 268 ? 0.9258 1.0340 1.1722 -0.1630 0.0034 -0.0003 268 GLU A CB 1995 C CG . GLU A 268 ? 1.2302 1.3038 1.4669 -0.1734 0.0115 0.0100 268 GLU A CG 1996 C CD . GLU A 268 ? 1.4337 1.5068 1.6893 -0.1982 0.0127 0.0105 268 GLU A CD 1997 O OE1 . GLU A 268 ? 1.5064 1.5973 1.7799 -0.2080 0.0041 -0.0003 268 GLU A OE1 1998 O OE2 . GLU A 268 ? 1.4682 1.5228 1.7205 -0.2082 0.0219 0.0220 268 GLU A OE2 1999 N N . LEU A 269 ? 0.4443 0.5094 0.6379 -0.1246 0.0158 0.0166 269 LEU A N 2000 C CA . LEU A 269 ? 0.3648 0.4244 0.5446 -0.1141 0.0252 0.0265 269 LEU A CA 2001 C C . LEU A 269 ? 0.3657 0.4380 0.5375 -0.0940 0.0226 0.0233 269 LEU A C 2002 O O . LEU A 269 ? 0.3542 0.4491 0.5304 -0.0868 0.0288 0.0267 269 LEU A O 2003 C CB . LEU A 269 ? 0.4449 0.4641 0.6045 -0.1141 0.0270 0.0323 269 LEU A CB 2004 C CG . LEU A 269 ? 0.4725 0.4839 0.6178 -0.1069 0.0369 0.0432 269 LEU A CG 2005 C CD1 . LEU A 269 ? 0.5137 0.4945 0.6497 -0.1169 0.0410 0.0518 269 LEU A CD1 2006 C CD2 . LEU A 269 ? 0.4035 0.4074 0.5314 -0.0877 0.0343 0.0414 269 LEU A CD2 2007 N N . VAL A 270 ? 0.4238 0.4811 0.5837 -0.0850 0.0138 0.0169 270 VAL A N 2008 C CA . VAL A 270 ? 0.3018 0.3651 0.4513 -0.0663 0.0110 0.0149 270 VAL A CA 2009 C C . VAL A 270 ? 0.2953 0.3959 0.4612 -0.0617 0.0078 0.0102 270 VAL A C 2010 O O . VAL A 270 ? 0.2860 0.3978 0.4475 -0.0470 0.0092 0.0116 270 VAL A O 2011 C CB . VAL A 270 ? 0.3018 0.3437 0.4362 -0.0593 0.0022 0.0089 270 VAL A CB 2012 C CG1 . VAL A 270 ? 0.2907 0.3292 0.4097 -0.0414 0.0025 0.0111 270 VAL A CG1 2013 C CG2 . VAL A 270 ? 0.3115 0.3202 0.4351 -0.0662 0.0033 0.0112 270 VAL A CG2 2014 N N . ALA A 271 ? 0.3019 0.4211 0.4871 -0.0743 0.0031 0.0043 271 ALA A N 2015 C CA . ALA A 271 ? 0.4672 0.6254 0.6710 -0.0711 -0.0004 -0.0003 271 ALA A CA 2016 C C . ALA A 271 ? 0.4937 0.6738 0.7065 -0.0678 0.0105 0.0069 271 ALA A C 2017 O O . ALA A 271 ? 0.4930 0.6917 0.7063 -0.0524 0.0106 0.0067 271 ALA A O 2018 C CB . ALA A 271 ? 0.3068 0.4812 0.5311 -0.0879 -0.0071 -0.0079 271 ALA A CB 2019 N N . CYS A 272 ? 0.5272 0.7038 0.7460 -0.0817 0.0199 0.0132 272 CYS A N 2020 C CA . CYS A 272 ? 0.4968 0.6906 0.7209 -0.0797 0.0321 0.0207 272 CYS A CA 2021 C C . CYS A 272 ? 0.4284 0.6076 0.6309 -0.0609 0.0368 0.0251 272 CYS A C 2022 O O . CYS A 272 ? 0.3329 0.5337 0.5392 -0.0493 0.0416 0.0260 272 CYS A O 2023 C CB . CYS A 272 ? 0.4856 0.6695 0.7135 -0.0983 0.0411 0.0280 272 CYS A CB 2024 S SG . CYS A 272 ? 0.7829 0.9804 1.0100 -0.0965 0.0580 0.0388 272 CYS A SG 2025 N N . LEU A 273 ? 0.2894 0.4320 0.4699 -0.0580 0.0351 0.0272 273 LEU A N 2026 C CA . LEU A 273 ? 0.2833 0.4089 0.4429 -0.0419 0.0378 0.0304 273 LEU A CA 2027 C C . LEU A 273 ? 0.3778 0.5171 0.5360 -0.0238 0.0326 0.0258 273 LEU A C 2028 O O . LEU A 273 ? 0.4711 0.6049 0.6173 -0.0105 0.0368 0.0285 273 LEU A O 2029 C CB . LEU A 273 ? 0.2859 0.3733 0.4259 -0.0432 0.0343 0.0317 273 LEU A CB 2030 C CG . LEU A 273 ? 0.4728 0.5356 0.5928 -0.0384 0.0409 0.0387 273 LEU A CG 2031 C CD1 . LEU A 273 ? 0.5417 0.6171 0.6657 -0.0426 0.0522 0.0452 273 LEU A CD1 2032 C CD2 . LEU A 273 ? 0.2938 0.3254 0.4033 -0.0465 0.0380 0.0405 273 LEU A CD2 2033 N N . ARG A 274 ? 0.3228 0.4785 0.4921 -0.0230 0.0232 0.0191 274 ARG A N 2034 C CA . ARG A 274 ? 0.3954 0.5619 0.5618 -0.0054 0.0174 0.0159 274 ARG A CA 2035 C C . ARG A 274 ? 0.4354 0.6385 0.6196 0.0016 0.0209 0.0153 274 ARG A C 2036 O O . ARG A 274 ? 0.4583 0.6699 0.6395 0.0185 0.0183 0.0143 274 ARG A O 2037 C CB . ARG A 274 ? 0.4471 0.6155 0.6150 -0.0057 0.0049 0.0090 274 ARG A CB 2038 C CG . ARG A 274 ? 0.4211 0.5552 0.5693 -0.0070 0.0007 0.0085 274 ARG A CG 2039 C CD . ARG A 274 ? 0.3740 0.5139 0.5229 -0.0055 -0.0112 0.0011 274 ARG A CD 2040 N NE . ARG A 274 ? 0.4810 0.5901 0.6117 -0.0066 -0.0146 -0.0001 274 ARG A NE 2041 C CZ . ARG A 274 ? 0.6188 0.7182 0.7512 -0.0189 -0.0191 -0.0055 274 ARG A CZ 2042 N NH1 . ARG A 274 ? 0.5896 0.7067 0.7414 -0.0326 -0.0212 -0.0100 274 ARG A NH1 2043 N NH2 . ARG A 274 ? 0.6639 0.7359 0.7791 -0.0175 -0.0215 -0.0067 274 ARG A NH2 2044 N N . THR A 275 ? 0.3075 0.5323 0.5106 -0.0115 0.0269 0.0161 275 THR A N 2045 C CA . THR A 275 ? 0.3239 0.5873 0.5467 -0.0061 0.0315 0.0154 275 THR A CA 2046 C C . THR A 275 ? 0.3581 0.6166 0.5702 0.0053 0.0427 0.0204 275 THR A C 2047 O O . THR A 275 ? 0.3224 0.6078 0.5448 0.0169 0.0465 0.0194 275 THR A O 2048 C CB . THR A 275 ? 0.3525 0.6425 0.6002 -0.0254 0.0353 0.0151 275 THR A CB 2049 O OG1 . THR A 275 ? 0.3790 0.6537 0.6205 -0.0367 0.0467 0.0222 275 THR A OG1 2050 C CG2 . THR A 275 ? 0.2745 0.5629 0.5306 -0.0395 0.0243 0.0094 275 THR A CG2 2051 N N . ARG A 276 ? 0.3603 0.5845 0.5513 0.0025 0.0474 0.0253 276 ARG A N 2052 C CA . ARG A 276 ? 0.3694 0.5861 0.5479 0.0109 0.0580 0.0295 276 ARG A CA 2053 C C . ARG A 276 ? 0.3630 0.5699 0.5278 0.0318 0.0550 0.0275 276 ARG A C 2054 O O . ARG A 276 ? 0.2993 0.4873 0.4533 0.0373 0.0459 0.0259 276 ARG A O 2055 C CB . ARG A 276 ? 0.4499 0.6342 0.6106 0.0007 0.0628 0.0352 276 ARG A CB 2056 C CG . ARG A 276 ? 0.5656 0.7575 0.7384 -0.0198 0.0682 0.0392 276 ARG A CG 2057 C CD . ARG A 276 ? 0.4732 0.7014 0.6638 -0.0217 0.0786 0.0406 276 ARG A CD 2058 N NE . ARG A 276 ? 0.4358 0.6716 0.6383 -0.0424 0.0847 0.0456 276 ARG A NE 2059 C CZ . ARG A 276 ? 0.5376 0.7944 0.7632 -0.0561 0.0809 0.0432 276 ARG A CZ 2060 N NH1 . ARG A 276 ? 0.5887 0.8622 0.8272 -0.0505 0.0705 0.0354 276 ARG A NH1 2061 N NH2 . ARG A 276 ? 0.6416 0.9025 0.8770 -0.0757 0.0873 0.0486 276 ARG A NH2 2062 N N . PRO A 277 ? 0.2725 0.4925 0.4377 0.0436 0.0629 0.0276 277 PRO A N 2063 C CA . PRO A 277 ? 0.4787 0.6846 0.6289 0.0632 0.0613 0.0261 277 PRO A CA 2064 C C . PRO A 277 ? 0.4131 0.5783 0.5380 0.0618 0.0608 0.0291 277 PRO A C 2065 O O . PRO A 277 ? 0.2762 0.4285 0.3954 0.0483 0.0647 0.0326 277 PRO A O 2066 C CB . PRO A 277 ? 0.2806 0.5060 0.4353 0.0717 0.0724 0.0256 277 PRO A CB 2067 C CG . PRO A 277 ? 0.3561 0.6201 0.5370 0.0615 0.0760 0.0251 277 PRO A CG 2068 C CD . PRO A 277 ? 0.3620 0.6157 0.5451 0.0403 0.0729 0.0281 277 PRO A CD 2069 N N . ALA A 278 ? 0.4038 0.5493 0.5144 0.0754 0.0558 0.0280 278 ALA A N 2070 C CA . ALA A 278 ? 0.4110 0.5197 0.4991 0.0741 0.0546 0.0305 278 ALA A CA 2071 C C . ALA A 278 ? 0.3868 0.4848 0.4630 0.0730 0.0643 0.0323 278 ALA A C 2072 O O . ALA A 278 ? 0.3687 0.4457 0.4330 0.0634 0.0654 0.0356 278 ALA A O 2073 C CB . ALA A 278 ? 0.3972 0.4887 0.4737 0.0883 0.0477 0.0294 278 ALA A CB 2074 N N . GLN A 279 ? 0.3386 0.4521 0.4178 0.0834 0.0713 0.0300 279 GLN A N 2075 C CA . GLN A 279 ? 0.3843 0.4889 0.4503 0.0836 0.0806 0.0308 279 GLN A CA 2076 C C . GLN A 279 ? 0.4344 0.5446 0.5029 0.0666 0.0870 0.0355 279 GLN A C 2077 O O . GLN A 279 ? 0.5328 0.6221 0.5846 0.0615 0.0899 0.0385 279 GLN A O 2078 C CB . GLN A 279 ? 0.3557 0.4782 0.4251 0.0985 0.0875 0.0264 279 GLN A CB 2079 C CG . GLN A 279 ? 0.3422 0.4492 0.3924 0.1021 0.0953 0.0254 279 GLN A CG 2080 C CD . GLN A 279 ? 0.6139 0.7367 0.6663 0.1185 0.1019 0.0196 279 GLN A CD 2081 O OE1 . GLN A 279 ? 0.7199 0.8766 0.7905 0.1203 0.1076 0.0185 279 GLN A OE1 2082 N NE2 . GLN A 279 ? 0.7201 0.8186 0.7544 0.1308 0.1012 0.0155 279 GLN A NE2 2083 N N . VAL A 280 ? 0.3752 0.5134 0.4645 0.0575 0.0889 0.0366 280 VAL A N 2084 C CA . VAL A 280 ? 0.2972 0.4393 0.3902 0.0398 0.0943 0.0421 280 VAL A CA 2085 C C . VAL A 280 ? 0.4926 0.6025 0.5718 0.0295 0.0888 0.0462 280 VAL A C 2086 O O . VAL A 280 ? 0.5066 0.6056 0.5763 0.0201 0.0940 0.0516 280 VAL A O 2087 C CB . VAL A 280 ? 0.2933 0.4672 0.4127 0.0300 0.0943 0.0421 280 VAL A CB 2088 C CG1 . VAL A 280 ? 0.8590 1.0362 0.9822 0.0115 0.1012 0.0486 280 VAL A CG1 2089 C CG2 . VAL A 280 ? 0.4844 0.6934 0.6196 0.0415 0.0993 0.0378 280 VAL A CG2 2090 N N . LEU A 281 ? 0.4713 0.5664 0.5486 0.0322 0.0784 0.0438 281 LEU A N 2091 C CA . LEU A 281 ? 0.4162 0.4820 0.4811 0.0247 0.0727 0.0466 281 LEU A CA 2092 C C . LEU A 281 ? 0.4499 0.4891 0.4918 0.0305 0.0742 0.0482 281 LEU A C 2093 O O . LEU A 281 ? 0.5187 0.5394 0.5500 0.0222 0.0747 0.0526 281 LEU A O 2094 C CB . LEU A 281 ? 0.3128 0.3734 0.3820 0.0268 0.0619 0.0430 281 LEU A CB 2095 C CG . LEU A 281 ? 0.3380 0.4184 0.4274 0.0176 0.0576 0.0410 281 LEU A CG 2096 C CD1 . LEU A 281 ? 0.2711 0.3347 0.3564 0.0157 0.0475 0.0388 281 LEU A CD1 2097 C CD2 . LEU A 281 ? 0.3238 0.4134 0.4233 0.0012 0.0637 0.0450 281 LEU A CD2 2098 N N . VAL A 282 ? 0.4235 0.4606 0.4580 0.0446 0.0746 0.0444 282 VAL A N 2099 C CA . VAL A 282 ? 0.5056 0.5187 0.5192 0.0503 0.0753 0.0444 282 VAL A CA 2100 C C . VAL A 282 ? 0.6131 0.6296 0.6180 0.0481 0.0848 0.0466 282 VAL A C 2101 O O . VAL A 282 ? 0.6104 0.6069 0.5980 0.0469 0.0850 0.0484 282 VAL A O 2102 C CB . VAL A 282 ? 0.4773 0.4848 0.4857 0.0658 0.0724 0.0393 282 VAL A CB 2103 C CG1 . VAL A 282 ? 0.3072 0.2883 0.2949 0.0699 0.0719 0.0386 282 VAL A CG1 2104 C CG2 . VAL A 282 ? 0.2921 0.2980 0.3078 0.0680 0.0635 0.0383 282 VAL A CG2 2105 N N . ASN A 283 ? 0.6127 0.6560 0.6295 0.0477 0.0925 0.0464 283 ASN A N 2106 C CA . ASN A 283 ? 0.5000 0.5505 0.5091 0.0447 0.1026 0.0492 283 ASN A CA 2107 C C . ASN A 283 ? 0.4809 0.5166 0.4820 0.0305 0.1027 0.0569 283 ASN A C 2108 O O . ASN A 283 ? 0.4297 0.4532 0.4130 0.0300 0.1062 0.0595 283 ASN A O 2109 C CB . ASN A 283 ? 0.3256 0.4111 0.3534 0.0430 0.1110 0.0492 283 ASN A CB 2110 C CG . ASN A 283 ? 0.4477 0.5496 0.4789 0.0593 0.1146 0.0420 283 ASN A CG 2111 O OD1 . ASN A 283 ? 0.4470 0.5316 0.4630 0.0713 0.1128 0.0373 283 ASN A OD1 2112 N ND2 . ASN A 283 ? 0.4064 0.5421 0.4583 0.0598 0.1199 0.0409 283 ASN A ND2 2113 N N . HIS A 284 ? 0.4618 0.4976 0.4753 0.0197 0.0981 0.0602 284 HIS A N 2114 C CA . HIS A 284 ? 0.4304 0.4541 0.4396 0.0058 0.0987 0.0681 284 HIS A CA 2115 C C . HIS A 284 ? 0.4288 0.4224 0.4261 0.0047 0.0897 0.0692 284 HIS A C 2116 O O . HIS A 284 ? 0.3258 0.3069 0.3204 -0.0056 0.0885 0.0754 284 HIS A O 2117 C CB . HIS A 284 ? 0.3345 0.3758 0.3646 -0.0070 0.1002 0.0711 284 HIS A CB 2118 C CG . HIS A 284 ? 0.4156 0.4882 0.4576 -0.0087 0.1108 0.0720 284 HIS A CG 2119 N ND1 . HIS A 284 ? 0.4681 0.5643 0.5202 0.0027 0.1130 0.0652 284 HIS A ND1 2120 C CD2 . HIS A 284 ? 0.4945 0.5795 0.5399 -0.0200 0.1202 0.0793 284 HIS A CD2 2121 C CE1 . HIS A 284 ? 0.4717 0.5954 0.5340 -0.0012 0.1235 0.0675 284 HIS A CE1 2122 N NE2 . HIS A 284 ? 0.4743 0.5920 0.5326 -0.0157 0.1283 0.0763 284 HIS A NE2 2123 N N . GLU A 285 ? 0.3826 0.3648 0.3727 0.0155 0.0838 0.0636 285 GLU A N 2124 C CA . GLU A 285 ? 0.4147 0.3723 0.3963 0.0154 0.0752 0.0637 285 GLU A CA 2125 C C . GLU A 285 ? 0.3855 0.3245 0.3506 0.0112 0.0756 0.0693 285 GLU A C 2126 O O . GLU A 285 ? 0.3189 0.2447 0.2838 0.0041 0.0714 0.0732 285 GLU A O 2127 C CB . GLU A 285 ? 0.5150 0.4650 0.4915 0.0273 0.0702 0.0574 285 GLU A CB 2128 C CG . GLU A 285 ? 0.5965 0.5230 0.5635 0.0272 0.0626 0.0578 285 GLU A CG 2129 C CD . GLU A 285 ? 0.6393 0.5590 0.6035 0.0371 0.0577 0.0527 285 GLU A CD 2130 O OE1 . GLU A 285 ? 0.7095 0.6405 0.6781 0.0451 0.0597 0.0489 285 GLU A OE1 2131 O OE2 . GLU A 285 ? 0.5415 0.4444 0.4991 0.0371 0.0522 0.0529 285 GLU A OE2 2132 N N . TRP A 286 ? 0.4064 0.3446 0.3574 0.0162 0.0802 0.0691 286 TRP A N 2133 C CA . TRP A 286 ? 0.5172 0.4385 0.4506 0.0141 0.0793 0.0737 286 TRP A CA 2134 C C . TRP A 286 ? 0.5766 0.4991 0.5073 0.0039 0.0843 0.0830 286 TRP A C 2135 O O . TRP A 286 ? 0.5169 0.4244 0.4339 0.0016 0.0821 0.0882 286 TRP A O 2136 C CB . TRP A 286 ? 0.3454 0.2647 0.2631 0.0229 0.0816 0.0693 286 TRP A CB 2137 C CG . TRP A 286 ? 0.3389 0.2513 0.2556 0.0322 0.0766 0.0614 286 TRP A CG 2138 C CD1 . TRP A 286 ? 0.4978 0.4204 0.4198 0.0409 0.0790 0.0548 286 TRP A CD1 2139 C CD2 . TRP A 286 ? 0.4467 0.3398 0.3562 0.0341 0.0685 0.0596 286 TRP A CD2 2140 N NE1 . TRP A 286 ? 0.4667 0.3751 0.3842 0.0477 0.0729 0.0496 286 TRP A NE1 2141 C CE2 . TRP A 286 ? 0.4548 0.3460 0.3653 0.0430 0.0666 0.0524 286 TRP A CE2 2142 C CE3 . TRP A 286 ? 0.3348 0.2129 0.2380 0.0294 0.0628 0.0635 286 TRP A CE3 2143 C CZ2 . TRP A 286 ? 0.3297 0.2044 0.2350 0.0457 0.0597 0.0496 286 TRP A CZ2 2144 C CZ3 . TRP A 286 ? 0.3774 0.2419 0.2767 0.0328 0.0560 0.0600 286 TRP A CZ3 2145 C CH2 . TRP A 286 ? 0.3777 0.2405 0.2781 0.0401 0.0547 0.0533 286 TRP A CH2 2146 N N . HIS A 287 ? 0.3509 0.2915 0.2946 -0.0024 0.0908 0.0857 287 HIS A N 2147 C CA . HIS A 287 ? 0.3635 0.3044 0.3064 -0.0137 0.0959 0.0956 287 HIS A CA 2148 C C . HIS A 287 ? 0.3638 0.2845 0.3084 -0.0212 0.0888 0.1006 287 HIS A C 2149 O O . HIS A 287 ? 0.6536 0.5652 0.5915 -0.0288 0.0909 0.1099 287 HIS A O 2150 C CB . HIS A 287 ? 0.3640 0.3291 0.3251 -0.0206 0.1033 0.0968 287 HIS A CB 2151 C CG . HIS A 287 ? 0.5356 0.5242 0.4977 -0.0131 0.1115 0.0921 287 HIS A CG 2152 N ND1 . HIS A 287 ? 0.5102 0.4992 0.4666 0.0005 0.1092 0.0830 287 HIS A ND1 2153 C CD2 . HIS A 287 ? 0.5348 0.5476 0.5037 -0.0171 0.1222 0.0950 287 HIS A CD2 2154 C CE1 . HIS A 287 ? 0.5827 0.5941 0.5418 0.0057 0.1179 0.0800 287 HIS A CE1 2155 N NE2 . HIS A 287 ? 0.5594 0.5873 0.5265 -0.0047 0.1262 0.0871 287 HIS A NE2 2156 N N . VAL A 288 ? 0.4267 0.3402 0.3799 -0.0186 0.0807 0.0946 288 VAL A N 2157 C CA . VAL A 288 ? 0.4591 0.3571 0.4181 -0.0256 0.0746 0.0975 288 VAL A CA 2158 C C . VAL A 288 ? 0.4734 0.3488 0.4181 -0.0215 0.0681 0.0995 288 VAL A C 2159 O O . VAL A 288 ? 0.5351 0.3950 0.4814 -0.0261 0.0636 0.1028 288 VAL A O 2160 C CB . VAL A 288 ? 0.4894 0.3929 0.4652 -0.0254 0.0692 0.0898 288 VAL A CB 2161 C CG1 . VAL A 288 ? 0.3330 0.2629 0.3240 -0.0273 0.0747 0.0866 288 VAL A CG1 2162 C CG2 . VAL A 288 ? 0.3246 0.2210 0.2953 -0.0146 0.0626 0.0828 288 VAL A CG2 2163 N N . LEU A 289 ? 0.4630 0.3369 0.3943 -0.0128 0.0676 0.0970 289 LEU A N 2164 C CA . LEU A 289 ? 0.5737 0.4299 0.4911 -0.0091 0.0618 0.0991 289 LEU A CA 2165 C C . LEU A 289 ? 0.7876 0.6351 0.6955 -0.0152 0.0642 0.1100 289 LEU A C 2166 O O . LEU A 289 ? 0.9159 0.7722 0.8166 -0.0177 0.0715 0.1149 289 LEU A O 2167 C CB . LEU A 289 ? 0.5211 0.3796 0.4260 -0.0004 0.0617 0.0943 289 LEU A CB 2168 C CG . LEU A 289 ? 0.4945 0.3488 0.4016 0.0067 0.0553 0.0860 289 LEU A CG 2169 C CD1 . LEU A 289 ? 0.3445 0.2008 0.2392 0.0136 0.0564 0.0812 289 LEU A CD1 2170 C CD2 . LEU A 289 ? 0.5267 0.3656 0.4325 0.0064 0.0477 0.0878 289 LEU A CD2 2171 N N . PRO A 290 ? 0.8277 0.6578 0.7349 -0.0170 0.0581 0.1141 290 PRO A N 2172 C CA . PRO A 290 ? 0.8726 0.6910 0.7706 -0.0222 0.0594 0.1256 290 PRO A CA 2173 C C . PRO A 290 ? 1.0877 0.9066 0.9657 -0.0182 0.0613 0.1306 290 PRO A C 2174 O O . PRO A 290 ? 1.2263 1.0535 1.0973 -0.0223 0.0691 0.1367 290 PRO A O 2175 C CB . PRO A 290 ? 0.8365 0.6374 0.7378 -0.0205 0.0500 0.1252 290 PRO A CB 2176 C CG . PRO A 290 ? 0.8820 0.6847 0.7885 -0.0132 0.0453 0.1151 290 PRO A CG 2177 C CD . PRO A 290 ? 0.8877 0.7082 0.8030 -0.0139 0.0502 0.1084 290 PRO A CD 2178 N N . GLN A 291 ? 1.1189 0.9306 0.9876 -0.0105 0.0542 0.1276 291 GLN A N 2179 C CA . GLN A 291 ? 1.1986 1.0073 1.0481 -0.0075 0.0529 0.1334 291 GLN A CA 2180 C C . GLN A 291 ? 1.0007 0.8212 0.8372 -0.0024 0.0562 0.1282 291 GLN A C 2181 O O . GLN A 291 ? 0.9309 0.7643 0.7738 -0.0018 0.0615 0.1209 291 GLN A O 2182 C CB . GLN A 291 ? 1.2841 1.0849 1.1356 -0.0032 0.0406 0.1316 291 GLN A CB 2183 C CG . GLN A 291 ? 1.2047 1.0036 1.0709 0.0001 0.0351 0.1222 291 GLN A CG 2184 C CD . GLN A 291 ? 1.1485 0.9412 1.0271 -0.0002 0.0266 0.1223 291 GLN A CD 2185 O OE1 . GLN A 291 ? 1.1415 0.9289 1.0211 -0.0040 0.0253 0.1296 291 GLN A OE1 2186 N NE2 . GLN A 291 ? 1.0754 0.8685 0.9634 0.0043 0.0211 0.1144 291 GLN A NE2 2187 N N . GLU A 292 ? 0.8208 0.6372 0.6391 0.0014 0.0527 0.1314 292 GLU A N 2188 C CA . GLU A 292 ? 0.7965 0.6204 0.6034 0.0075 0.0518 0.1230 292 GLU A CA 2189 C C . GLU A 292 ? 0.7456 0.5626 0.5578 0.0122 0.0418 0.1157 292 GLU A C 2190 O O . GLU A 292 ? 0.7734 0.5805 0.5861 0.0130 0.0347 0.1204 292 GLU A O 2191 C CB . GLU A 292 ? 0.9318 0.7562 0.7155 0.0089 0.0524 0.1294 292 GLU A CB 2192 C CG . GLU A 292 ? 1.1432 0.9733 0.9202 0.0033 0.0626 0.1395 292 GLU A CG 2193 C CD . GLU A 292 ? 1.2766 1.1131 1.0287 0.0062 0.0654 0.1419 292 GLU A CD 2194 O OE1 . GLU A 292 ? 1.3337 1.1692 1.0743 0.0124 0.0584 0.1349 292 GLU A OE1 2195 O OE2 . GLU A 292 ? 1.2647 1.1078 1.0087 0.0018 0.0748 0.1506 292 GLU A OE2 2196 N N . SER A 293 ? 0.6462 0.4685 0.4627 0.0157 0.0414 0.1046 293 SER A N 2197 C CA . SER A 293 ? 0.5960 0.4130 0.4196 0.0188 0.0332 0.0980 293 SER A CA 2198 C C . SER A 293 ? 0.5937 0.4154 0.4164 0.0223 0.0339 0.0868 293 SER A C 2199 O O . SER A 293 ? 0.6333 0.4623 0.4535 0.0232 0.0410 0.0835 293 SER A O 2200 C CB . SER A 293 ? 0.7847 0.5981 0.6274 0.0167 0.0322 0.0981 293 SER A CB 2201 O OG . SER A 293 ? 0.8578 0.6786 0.7109 0.0161 0.0379 0.0927 293 SER A OG 2202 N N . VAL A 294 ? 0.6023 0.4194 0.4277 0.0244 0.0268 0.0811 294 VAL A N 2203 C CA . VAL A 294 ? 0.6210 0.4386 0.4492 0.0270 0.0268 0.0710 294 VAL A CA 2204 C C . VAL A 294 ? 0.7345 0.5480 0.5785 0.0264 0.0221 0.0698 294 VAL A C 2205 O O . VAL A 294 ? 0.8671 0.6777 0.7150 0.0252 0.0174 0.0748 294 VAL A O 2206 C CB . VAL A 294 ? 0.5505 0.3665 0.3630 0.0290 0.0227 0.0652 294 VAL A CB 2207 C CG1 . VAL A 294 ? 0.6136 0.4243 0.4318 0.0289 0.0150 0.0594 294 VAL A CG1 2208 C CG2 . VAL A 294 ? 0.4473 0.2670 0.2499 0.0321 0.0293 0.0587 294 VAL A CG2 2209 N N . PHE A 295 ? 0.6626 0.4760 0.5152 0.0279 0.0236 0.0637 295 PHE A N 2210 C CA . PHE A 295 ? 0.5486 0.3593 0.4148 0.0274 0.0201 0.0628 295 PHE A CA 2211 C C . PHE A 295 ? 0.5650 0.3774 0.4420 0.0256 0.0217 0.0684 295 PHE A C 2212 O O . PHE A 295 ? 0.4983 0.3079 0.3821 0.0249 0.0174 0.0705 295 PHE A O 2213 C CB . PHE A 295 ? 0.5961 0.4032 0.4614 0.0266 0.0126 0.0621 295 PHE A CB 2214 C CG . PHE A 295 ? 0.6128 0.4179 0.4881 0.0265 0.0101 0.0583 295 PHE A CG 2215 C CD1 . PHE A 295 ? 0.6770 0.4831 0.5637 0.0270 0.0126 0.0589 295 PHE A CD1 2216 C CD2 . PHE A 295 ? 0.4688 0.2716 0.3419 0.0253 0.0051 0.0543 295 PHE A CD2 2217 C CE1 . PHE A 295 ? 0.5776 0.3823 0.4717 0.0269 0.0108 0.0564 295 PHE A CE1 2218 C CE2 . PHE A 295 ? 0.4213 0.2224 0.3034 0.0241 0.0037 0.0519 295 PHE A CE2 2219 C CZ . PHE A 295 ? 0.5164 0.3184 0.4083 0.0253 0.0068 0.0534 295 PHE A CZ 2220 N N . ARG A 296 ? 0.6497 0.4672 0.5286 0.0246 0.0278 0.0702 296 ARG A N 2221 C CA . ARG A 296 ? 0.5046 0.3239 0.3948 0.0218 0.0295 0.0739 296 ARG A CA 2222 C C . ARG A 296 ? 0.5909 0.4191 0.4880 0.0224 0.0351 0.0708 296 ARG A C 2223 O O . ARG A 296 ? 0.5583 0.3918 0.4493 0.0248 0.0394 0.0682 296 ARG A O 2224 C CB . ARG A 296 ? 0.3624 0.1797 0.2485 0.0180 0.0309 0.0818 296 ARG A CB 2225 C CG . ARG A 296 ? 0.3849 0.1939 0.2655 0.0186 0.0247 0.0860 296 ARG A CG 2226 C CD . ARG A 296 ? 0.3886 0.1940 0.2807 0.0197 0.0195 0.0838 296 ARG A CD 2227 N NE . ARG A 296 ? 0.4083 0.2127 0.2976 0.0223 0.0130 0.0826 296 ARG A NE 2228 C CZ . ARG A 296 ? 0.4911 0.2953 0.3834 0.0227 0.0079 0.0859 296 ARG A CZ 2229 N NH1 . ARG A 296 ? 0.3384 0.1415 0.2362 0.0204 0.0082 0.0903 296 ARG A NH1 2230 N NH2 . ARG A 296 ? 0.3358 0.1395 0.2253 0.0257 0.0024 0.0852 296 ARG A NH2 2231 N N . PHE A 297 ? 0.5837 0.4141 0.4933 0.0210 0.0347 0.0704 297 PHE A N 2232 C CA . PHE A 297 ? 0.4771 0.3172 0.3953 0.0226 0.0380 0.0667 297 PHE A CA 2233 C C . PHE A 297 ? 0.5019 0.3473 0.4314 0.0174 0.0393 0.0692 297 PHE A C 2234 O O . PHE A 297 ? 0.4932 0.3312 0.4257 0.0142 0.0359 0.0715 297 PHE A O 2235 C CB . PHE A 297 ? 0.3371 0.1748 0.2590 0.0270 0.0344 0.0618 297 PHE A CB 2236 C CG . PHE A 297 ? 0.4027 0.2317 0.3156 0.0297 0.0312 0.0599 297 PHE A CG 2237 C CD1 . PHE A 297 ? 0.3065 0.1348 0.2117 0.0334 0.0332 0.0564 297 PHE A CD1 2238 C CD2 . PHE A 297 ? 0.5811 0.4030 0.4938 0.0284 0.0263 0.0611 297 PHE A CD2 2239 C CE1 . PHE A 297 ? 0.4622 0.2817 0.3595 0.0346 0.0298 0.0540 297 PHE A CE1 2240 C CE2 . PHE A 297 ? 0.5803 0.3963 0.4865 0.0296 0.0232 0.0592 297 PHE A CE2 2241 C CZ . PHE A 297 ? 0.4309 0.2450 0.3293 0.0320 0.0247 0.0556 297 PHE A CZ 2242 N N . SER A 298 ? 0.3033 0.1616 0.2396 0.0166 0.0441 0.0682 298 SER A N 2243 C CA . SER A 298 ? 0.4179 0.2828 0.3653 0.0098 0.0459 0.0706 298 SER A CA 2244 C C . SER A 298 ? 0.3906 0.2537 0.3485 0.0085 0.0407 0.0675 298 SER A C 2245 O O . SER A 298 ? 0.4223 0.2790 0.3845 0.0025 0.0388 0.0697 298 SER A O 2246 C CB . SER A 298 ? 0.4219 0.3051 0.3761 0.0096 0.0521 0.0694 298 SER A CB 2247 O OG . SER A 298 ? 0.4101 0.2968 0.3555 0.0087 0.0583 0.0731 298 SER A OG 2248 N N . PHE A 299 ? 0.3739 0.2421 0.3352 0.0144 0.0384 0.0622 299 PHE A N 2249 C CA . PHE A 299 ? 0.3612 0.2305 0.3310 0.0139 0.0338 0.0587 299 PHE A CA 2250 C C . PHE A 299 ? 0.3690 0.2290 0.3327 0.0197 0.0294 0.0565 299 PHE A C 2251 O O . PHE A 299 ? 0.3252 0.1864 0.2848 0.0258 0.0296 0.0548 299 PHE A O 2252 C CB . PHE A 299 ? 0.3551 0.2420 0.3358 0.0147 0.0349 0.0553 299 PHE A CB 2253 C CG . PHE A 299 ? 0.4060 0.3045 0.3951 0.0074 0.0396 0.0576 299 PHE A CG 2254 C CD1 . PHE A 299 ? 0.4494 0.3462 0.4465 -0.0018 0.0383 0.0586 299 PHE A CD1 2255 C CD2 . PHE A 299 ? 0.3805 0.2911 0.3694 0.0094 0.0459 0.0589 299 PHE A CD2 2256 C CE1 . PHE A 299 ? 0.4387 0.3460 0.4442 -0.0102 0.0432 0.0616 299 PHE A CE1 2257 C CE2 . PHE A 299 ? 0.3747 0.2980 0.3719 0.0019 0.0512 0.0617 299 PHE A CE2 2258 C CZ . PHE A 299 ? 0.3948 0.3163 0.4005 -0.0086 0.0499 0.0636 299 PHE A CZ 2259 N N . VAL A 300 ? 0.3843 0.2342 0.3474 0.0175 0.0259 0.0569 300 VAL A N 2260 C CA . VAL A 300 ? 0.3247 0.1672 0.2834 0.0218 0.0223 0.0554 300 VAL A CA 2261 C C . VAL A 300 ? 0.3362 0.1774 0.3007 0.0203 0.0187 0.0523 300 VAL A C 2262 O O . VAL A 300 ? 0.3453 0.1880 0.3163 0.0151 0.0187 0.0517 300 VAL A O 2263 C CB . VAL A 300 ? 0.3161 0.1480 0.2669 0.0218 0.0217 0.0588 300 VAL A CB 2264 C CG1 . VAL A 300 ? 0.3017 0.1345 0.2450 0.0232 0.0248 0.0606 300 VAL A CG1 2265 C CG2 . VAL A 300 ? 0.2844 0.1092 0.2365 0.0171 0.0211 0.0620 300 VAL A CG2 2266 N N . PRO A 301 ? 0.2938 0.1324 0.2561 0.0244 0.0160 0.0499 301 PRO A N 2267 C CA . PRO A 301 ? 0.2706 0.1080 0.2366 0.0240 0.0128 0.0459 301 PRO A CA 2268 C C . PRO A 301 ? 0.4145 0.2423 0.3830 0.0197 0.0118 0.0464 301 PRO A C 2269 O O . PRO A 301 ? 0.3703 0.1900 0.3352 0.0191 0.0125 0.0507 301 PRO A O 2270 C CB . PRO A 301 ? 0.4213 0.2560 0.3822 0.0290 0.0117 0.0455 301 PRO A CB 2271 C CG . PRO A 301 ? 0.3592 0.1970 0.3158 0.0318 0.0136 0.0478 301 PRO A CG 2272 C CD . PRO A 301 ? 0.2806 0.1183 0.2368 0.0292 0.0162 0.0506 301 PRO A CD 2273 N N . VAL A 302 ? 0.4844 0.3125 0.4586 0.0169 0.0095 0.0418 302 VAL A N 2274 C CA . VAL A 302 ? 0.4517 0.2678 0.4286 0.0126 0.0081 0.0415 302 VAL A CA 2275 C C . VAL A 302 ? 0.4948 0.3040 0.4704 0.0170 0.0048 0.0363 302 VAL A C 2276 O O . VAL A 302 ? 0.5304 0.3470 0.5056 0.0203 0.0032 0.0307 302 VAL A O 2277 C CB . VAL A 302 ? 0.4193 0.2390 0.4044 0.0052 0.0075 0.0385 302 VAL A CB 2278 C CG1 . VAL A 302 ? 0.3128 0.1167 0.3002 -0.0004 0.0065 0.0396 302 VAL A CG1 2279 C CG2 . VAL A 302 ? 0.5599 0.3914 0.5482 0.0017 0.0112 0.0424 302 VAL A CG2 2280 N N . VAL A 303 ? 0.4255 0.2210 0.3999 0.0176 0.0038 0.0381 303 VAL A N 2281 C CA . VAL A 303 ? 0.4076 0.1958 0.3819 0.0219 0.0009 0.0320 303 VAL A CA 2282 C C . VAL A 303 ? 0.5876 0.3691 0.5670 0.0166 -0.0016 0.0257 303 VAL A C 2283 O O . VAL A 303 ? 0.6453 0.4122 0.6268 0.0123 -0.0023 0.0278 303 VAL A O 2284 C CB . VAL A 303 ? 0.3355 0.1121 0.3073 0.0264 0.0003 0.0359 303 VAL A CB 2285 C CG1 . VAL A 303 ? 0.4118 0.1820 0.3842 0.0323 -0.0022 0.0287 303 VAL A CG1 2286 C CG2 . VAL A 303 ? 0.3645 0.1495 0.3323 0.0304 0.0021 0.0409 303 VAL A CG2 2287 N N . ASP A 304 ? 0.6089 0.4008 0.5897 0.0168 -0.0033 0.0182 304 ASP A N 2288 C CA . ASP A 304 ? 0.5771 0.3675 0.5635 0.0102 -0.0062 0.0114 304 ASP A CA 2289 C C . ASP A 304 ? 0.6880 0.4714 0.6723 0.0144 -0.0099 0.0011 304 ASP A C 2290 O O . ASP A 304 ? 0.7717 0.5505 0.7600 0.0091 -0.0133 -0.0064 304 ASP A O 2291 C CB . ASP A 304 ? 0.5657 0.3754 0.5551 0.0078 -0.0064 0.0097 304 ASP A CB 2292 C CG . ASP A 304 ? 0.6928 0.5153 0.6757 0.0163 -0.0059 0.0089 304 ASP A CG 2293 O OD1 . ASP A 304 ? 0.6346 0.4525 0.6117 0.0228 -0.0045 0.0108 304 ASP A OD1 2294 O OD2 . ASP A 304 ? 0.7376 0.5750 0.7215 0.0164 -0.0070 0.0070 304 ASP A OD2 2295 N N . GLY A 305 ? 0.6397 0.4234 0.6181 0.0237 -0.0091 0.0002 305 GLY A N 2296 C CA . GLY A 305 ? 0.5504 0.3308 0.5256 0.0293 -0.0116 -0.0102 305 GLY A CA 2297 C C . GLY A 305 ? 0.5264 0.3249 0.4972 0.0325 -0.0122 -0.0155 305 GLY A C 2298 O O . GLY A 305 ? 0.6789 0.4802 0.6441 0.0396 -0.0125 -0.0221 305 GLY A O 2299 N N . ASP A 306 ? 0.4217 0.2331 0.3947 0.0279 -0.0122 -0.0122 306 ASP A N 2300 C CA . ASP A 306 ? 0.4822 0.3108 0.4506 0.0309 -0.0133 -0.0153 306 ASP A CA 2301 C C . ASP A 306 ? 0.5517 0.3888 0.5138 0.0379 -0.0092 -0.0085 306 ASP A C 2302 O O . ASP A 306 ? 0.4623 0.2999 0.4185 0.0444 -0.0078 -0.0110 306 ASP A O 2303 C CB . ASP A 306 ? 0.5964 0.4355 0.5712 0.0240 -0.0152 -0.0141 306 ASP A CB 2304 C CG . ASP A 306 ? 0.6767 0.5330 0.6475 0.0270 -0.0183 -0.0188 306 ASP A CG 2305 O OD1 . ASP A 306 ? 0.6903 0.5491 0.6525 0.0332 -0.0194 -0.0245 306 ASP A OD1 2306 O OD2 . ASP A 306 ? 0.7305 0.5987 0.7066 0.0236 -0.0196 -0.0167 306 ASP A OD2 2307 N N . PHE A 307 ? 0.6319 0.4754 0.5953 0.0363 -0.0069 -0.0001 307 PHE A N 2308 C CA . PHE A 307 ? 0.5438 0.3931 0.5016 0.0413 -0.0033 0.0065 307 PHE A CA 2309 C C . PHE A 307 ? 0.4047 0.2457 0.3616 0.0445 -0.0007 0.0085 307 PHE A C 2310 O O . PHE A 307 ? 0.3825 0.2281 0.3345 0.0497 0.0011 0.0077 307 PHE A O 2311 C CB . PHE A 307 ? 0.2857 0.1387 0.2456 0.0391 -0.0013 0.0145 307 PHE A CB 2312 C CG . PHE A 307 ? 0.4530 0.3113 0.4066 0.0436 0.0015 0.0202 307 PHE A CG 2313 C CD1 . PHE A 307 ? 0.2775 0.1312 0.2288 0.0456 0.0045 0.0241 307 PHE A CD1 2314 C CD2 . PHE A 307 ? 0.4304 0.2982 0.3808 0.0459 0.0009 0.0220 307 PHE A CD2 2315 C CE1 . PHE A 307 ? 0.5087 0.3661 0.4550 0.0482 0.0072 0.0295 307 PHE A CE1 2316 C CE2 . PHE A 307 ? 0.3187 0.1883 0.2627 0.0496 0.0036 0.0280 307 PHE A CE2 2317 C CZ . PHE A 307 ? 0.3826 0.2465 0.3247 0.0500 0.0069 0.0316 307 PHE A CZ 2318 N N . LEU A 308 ? 0.4108 0.2409 0.3726 0.0413 -0.0005 0.0115 308 LEU A N 2319 C CA . LEU A 308 ? 0.4558 0.2783 0.4178 0.0448 0.0008 0.0132 308 LEU A CA 2320 C C . LEU A 308 ? 0.4821 0.2934 0.4461 0.0460 -0.0018 0.0059 308 LEU A C 2321 O O . LEU A 308 ? 0.3196 0.1210 0.2873 0.0408 -0.0041 0.0045 308 LEU A O 2322 C CB . LEU A 308 ? 0.4253 0.2426 0.3895 0.0419 0.0021 0.0217 308 LEU A CB 2323 C CG . LEU A 308 ? 0.4338 0.2605 0.3950 0.0421 0.0047 0.0273 308 LEU A CG 2324 C CD1 . LEU A 308 ? 0.3356 0.1581 0.2973 0.0393 0.0058 0.0345 308 LEU A CD1 2325 C CD2 . LEU A 308 ? 0.5395 0.3732 0.4978 0.0474 0.0064 0.0268 308 LEU A CD2 2326 N N . SER A 309 ? 0.4729 0.2857 0.4346 0.0530 -0.0012 0.0012 309 SER A N 2327 C CA . SER A 309 ? 0.4807 0.2821 0.4432 0.0563 -0.0036 -0.0072 309 SER A CA 2328 C C . SER A 309 ? 0.5038 0.2886 0.4709 0.0554 -0.0047 -0.0029 309 SER A C 2329 O O . SER A 309 ? 0.5100 0.2797 0.4792 0.0525 -0.0076 -0.0068 309 SER A O 2330 C CB . SER A 309 ? 0.4223 0.2315 0.3812 0.0655 -0.0015 -0.0127 309 SER A CB 2331 O OG . SER A 309 ? 0.3801 0.1769 0.3411 0.0711 -0.0029 -0.0189 309 SER A OG 2332 N N . ASP A 310 ? 0.4385 0.2260 0.4068 0.0577 -0.0027 0.0053 310 ASP A N 2333 C CA . ASP A 310 ? 0.3715 0.1457 0.3426 0.0576 -0.0040 0.0115 310 ASP A CA 2334 C C . ASP A 310 ? 0.4841 0.2661 0.4546 0.0541 -0.0021 0.0214 310 ASP A C 2335 O O . ASP A 310 ? 0.5173 0.3117 0.4859 0.0513 -0.0001 0.0226 310 ASP A O 2336 C CB . ASP A 310 ? 0.4490 0.2194 0.4219 0.0675 -0.0046 0.0089 310 ASP A CB 2337 C CG . ASP A 310 ? 0.7661 0.5218 0.7426 0.0679 -0.0070 0.0142 310 ASP A CG 2338 O OD1 . ASP A 310 ? 0.8884 0.6393 0.8669 0.0590 -0.0076 0.0197 310 ASP A OD1 2339 O OD2 . ASP A 310 ? 0.8181 0.5739 0.7985 0.0759 -0.0079 0.0129 310 ASP A OD2 2340 N N . THR A 311 ? 0.5131 0.2876 0.4846 0.0545 -0.0031 0.0282 311 THR A N 2341 C CA . THR A 311 ? 0.4421 0.2266 0.4138 0.0504 -0.0023 0.0361 311 THR A CA 2342 C C . THR A 311 ? 0.3609 0.1564 0.3308 0.0556 -0.0004 0.0368 311 THR A C 2343 O O . THR A 311 ? 0.3085 0.1081 0.2813 0.0624 -0.0006 0.0333 311 THR A O 2344 C CB . THR A 311 ? 0.5157 0.2975 0.4915 0.0491 -0.0049 0.0418 311 THR A CB 2345 O OG1 . THR A 311 ? 0.5582 0.3428 0.5363 0.0572 -0.0065 0.0417 311 THR A OG1 2346 C CG2 . THR A 311 ? 0.5944 0.3626 0.5735 0.0462 -0.0062 0.0406 311 THR A CG2 2347 N N . PRO A 312 ? 0.3455 0.1499 0.3130 0.0514 0.0015 0.0405 312 PRO A N 2348 C CA . PRO A 312 ? 0.3671 0.1849 0.3352 0.0532 0.0032 0.0411 312 PRO A CA 2349 C C . PRO A 312 ? 0.3846 0.2069 0.3571 0.0587 0.0019 0.0422 312 PRO A C 2350 O O . PRO A 312 ? 0.3316 0.1651 0.3072 0.0622 0.0037 0.0394 312 PRO A O 2351 C CB . PRO A 312 ? 0.2795 0.0989 0.2439 0.0476 0.0041 0.0463 312 PRO A CB 2352 C CG . PRO A 312 ? 0.2808 0.0946 0.2432 0.0434 0.0045 0.0455 312 PRO A CG 2353 C CD . PRO A 312 ? 0.4703 0.2748 0.4358 0.0441 0.0022 0.0432 312 PRO A CD 2354 N N . GLU A 313 ? 0.4567 0.2715 0.4295 0.0597 -0.0012 0.0464 313 GLU A N 2355 C CA . GLU A 313 ? 0.5127 0.3331 0.4907 0.0659 -0.0035 0.0476 313 GLU A CA 2356 C C . GLU A 313 ? 0.4518 0.2725 0.4347 0.0740 -0.0033 0.0414 313 GLU A C 2357 O O . GLU A 313 ? 0.4633 0.2970 0.4524 0.0795 -0.0028 0.0397 313 GLU A O 2358 C CB . GLU A 313 ? 0.6637 0.4760 0.6400 0.0656 -0.0077 0.0534 313 GLU A CB 2359 C CG . GLU A 313 ? 0.8371 0.6540 0.8181 0.0736 -0.0112 0.0555 313 GLU A CG 2360 C CD . GLU A 313 ? 0.9524 0.7618 0.9330 0.0736 -0.0160 0.0604 313 GLU A CD 2361 O OE1 . GLU A 313 ? 0.9184 0.7268 0.8939 0.0664 -0.0166 0.0650 313 GLU A OE1 2362 O OE2 . GLU A 313 ? 1.0105 0.8162 0.9961 0.0808 -0.0185 0.0595 313 GLU A OE2 2363 N N . ALA A 314 ? 0.4085 0.2155 0.3892 0.0746 -0.0037 0.0376 314 ALA A N 2364 C CA . ALA A 314 ? 0.4519 0.2561 0.4357 0.0825 -0.0037 0.0302 314 ALA A CA 2365 C C . ALA A 314 ? 0.6200 0.4407 0.6048 0.0842 0.0005 0.0243 314 ALA A C 2366 O O . ALA A 314 ? 0.7273 0.5588 0.7171 0.0918 0.0018 0.0208 314 ALA A O 2367 C CB . ALA A 314 ? 0.3843 0.1696 0.3648 0.0803 -0.0051 0.0266 314 ALA A CB 2368 N N . LEU A 315 ? 0.5221 0.3456 0.5019 0.0774 0.0027 0.0237 315 LEU A N 2369 C CA . LEU A 315 ? 0.4032 0.2413 0.3815 0.0782 0.0067 0.0197 315 LEU A CA 2370 C C . LEU A 315 ? 0.3820 0.2374 0.3649 0.0792 0.0094 0.0236 315 LEU A C 2371 O O . LEU A 315 ? 0.4668 0.3354 0.4518 0.0838 0.0128 0.0200 315 LEU A O 2372 C CB . LEU A 315 ? 0.3703 0.2082 0.3421 0.0710 0.0078 0.0203 315 LEU A CB 2373 C CG . LEU A 315 ? 0.4305 0.2563 0.3989 0.0681 0.0055 0.0157 315 LEU A CG 2374 C CD1 . LEU A 315 ? 0.5407 0.3720 0.5044 0.0624 0.0066 0.0170 315 LEU A CD1 2375 C CD2 . LEU A 315 ? 0.3164 0.1390 0.2840 0.0739 0.0049 0.0060 315 LEU A CD2 2376 N N . ILE A 316 ? 0.3678 0.2239 0.3526 0.0747 0.0078 0.0307 316 ILE A N 2377 C CA . ILE A 316 ? 0.2826 0.1548 0.2729 0.0738 0.0095 0.0343 316 ILE A CA 2378 C C . ILE A 316 ? 0.4049 0.2884 0.4045 0.0824 0.0095 0.0316 316 ILE A C 2379 O O . ILE A 316 ? 0.3809 0.2821 0.3853 0.0835 0.0136 0.0308 316 ILE A O 2380 C CB . ILE A 316 ? 0.2776 0.1472 0.2676 0.0676 0.0067 0.0410 316 ILE A CB 2381 C CG1 . ILE A 316 ? 0.3019 0.1668 0.2844 0.0598 0.0084 0.0433 316 ILE A CG1 2382 C CG2 . ILE A 316 ? 0.2739 0.1597 0.2716 0.0669 0.0070 0.0434 316 ILE A CG2 2383 C CD1 . ILE A 316 ? 0.3407 0.2006 0.3207 0.0542 0.0058 0.0483 316 ILE A CD1 2384 N N . ASN A 317 ? 0.4658 0.3395 0.4679 0.0888 0.0054 0.0305 317 ASN A N 2385 C CA . ASN A 317 ? 0.5394 0.4239 0.5509 0.0987 0.0049 0.0279 317 ASN A CA 2386 C C . ASN A 317 ? 0.5947 0.4858 0.6065 0.1055 0.0096 0.0197 317 ASN A C 2387 O O . ASN A 317 ? 0.6576 0.5688 0.6770 0.1101 0.0132 0.0176 317 ASN A O 2388 C CB . ASN A 317 ? 0.5689 0.4385 0.5818 0.1053 -0.0009 0.0292 317 ASN A CB 2389 C CG . ASN A 317 ? 0.6026 0.4634 0.6119 0.0989 -0.0055 0.0372 317 ASN A CG 2390 O OD1 . ASN A 317 ? 0.5226 0.3942 0.5326 0.0920 -0.0054 0.0415 317 ASN A OD1 2391 N ND2 . ASN A 317 ? 0.3215 0.1620 0.3262 0.1010 -0.0095 0.0393 317 ASN A ND2 2392 N N . ALA A 318 ? 0.6067 0.4822 0.6104 0.1057 0.0095 0.0146 318 ALA A N 2393 C CA . ALA A 318 ? 0.6338 0.5132 0.6355 0.1128 0.0131 0.0052 318 ALA A CA 2394 C C . ALA A 318 ? 0.6221 0.5215 0.6215 0.1099 0.0197 0.0044 318 ALA A C 2395 O O . ALA A 318 ? 0.6418 0.5564 0.6443 0.1172 0.0241 -0.0008 318 ALA A O 2396 C CB . ALA A 318 ? 0.6586 0.5165 0.6521 0.1121 0.0105 -0.0005 318 ALA A CB 2397 N N . GLY A 319 ? 0.6066 0.5059 0.6003 0.0996 0.0206 0.0100 319 GLY A N 2398 C CA . GLY A 319 ? 0.6361 0.5485 0.6241 0.0961 0.0262 0.0102 319 GLY A CA 2399 C C . GLY A 319 ? 0.6305 0.5670 0.6248 0.0985 0.0324 0.0113 319 GLY A C 2400 O O . GLY A 319 ? 0.5497 0.4964 0.5551 0.0993 0.0322 0.0148 319 GLY A O 2401 N N . ASP A 320 ? 0.5817 0.5284 0.5688 0.0995 0.0381 0.0086 320 ASP A N 2402 C CA . ASP A 320 ? 0.4045 0.3748 0.3959 0.0986 0.0453 0.0120 320 ASP A CA 2403 C C . ASP A 320 ? 0.4016 0.3719 0.3878 0.0872 0.0471 0.0213 320 ASP A C 2404 O O . ASP A 320 ? 0.4569 0.4147 0.4317 0.0838 0.0453 0.0221 320 ASP A O 2405 C CB . ASP A 320 ? 0.3840 0.3664 0.3687 0.1061 0.0514 0.0047 320 ASP A CB 2406 C CG . ASP A 320 ? 0.4958 0.5055 0.4894 0.1081 0.0594 0.0067 320 ASP A CG 2407 O OD1 . ASP A 320 ? 0.4625 0.4816 0.4653 0.1003 0.0606 0.0154 320 ASP A OD1 2408 O OD2 . ASP A 320 ? 0.6058 0.6283 0.5974 0.1172 0.0645 -0.0008 320 ASP A OD2 2409 N N . PHE A 321 ? 0.4698 0.4541 0.4648 0.0814 0.0503 0.0283 321 PHE A N 2410 C CA . PHE A 321 ? 0.4757 0.4561 0.4667 0.0703 0.0511 0.0373 321 PHE A CA 2411 C C . PHE A 321 ? 0.4396 0.4393 0.4327 0.0653 0.0593 0.0431 321 PHE A C 2412 O O . PHE A 321 ? 0.4572 0.4545 0.4503 0.0553 0.0601 0.0512 321 PHE A O 2413 C CB . PHE A 321 ? 0.5036 0.4746 0.5021 0.0643 0.0450 0.0414 321 PHE A CB 2414 C CG . PHE A 321 ? 0.5144 0.4650 0.5084 0.0670 0.0380 0.0381 321 PHE A CG 2415 C CD1 . PHE A 321 ? 0.2780 0.2128 0.2607 0.0636 0.0361 0.0393 321 PHE A CD1 2416 C CD2 . PHE A 321 ? 0.4816 0.4296 0.4831 0.0734 0.0334 0.0340 321 PHE A CD2 2417 C CE1 . PHE A 321 ? 0.2768 0.1950 0.2564 0.0652 0.0304 0.0365 321 PHE A CE1 2418 C CE2 . PHE A 321 ? 0.4399 0.3685 0.4370 0.0750 0.0276 0.0319 321 PHE A CE2 2419 C CZ . PHE A 321 ? 0.4265 0.3409 0.4130 0.0702 0.0264 0.0331 321 PHE A CZ 2420 N N . HIS A 322 ? 0.4215 0.4396 0.4159 0.0720 0.0655 0.0390 322 HIS A N 2421 C CA . HIS A 322 ? 0.4544 0.4928 0.4501 0.0672 0.0747 0.0450 322 HIS A CA 2422 C C . HIS A 322 ? 0.4785 0.5070 0.4572 0.0612 0.0773 0.0517 322 HIS A C 2423 O O . HIS A 322 ? 0.3137 0.3274 0.2789 0.0652 0.0738 0.0482 322 HIS A O 2424 C CB . HIS A 322 ? 0.4549 0.5160 0.4540 0.0770 0.0816 0.0384 322 HIS A CB 2425 C CG . HIS A 322 ? 0.5425 0.6173 0.5601 0.0833 0.0801 0.0334 322 HIS A CG 2426 N ND1 . HIS A 322 ? 0.6227 0.6875 0.6426 0.0943 0.0738 0.0241 322 HIS A ND1 2427 C CD2 . HIS A 322 ? 0.5508 0.6494 0.5861 0.0805 0.0838 0.0365 322 HIS A CD2 2428 C CE1 . HIS A 322 ? 0.6611 0.7421 0.6984 0.0991 0.0735 0.0221 322 HIS A CE1 2429 N NE2 . HIS A 322 ? 0.6140 0.7172 0.6616 0.0910 0.0794 0.0292 322 HIS A NE2 2430 N N . GLY A 323 ? 0.4792 0.5154 0.4592 0.0514 0.0829 0.0616 323 GLY A N 2431 C CA . GLY A 323 ? 0.4622 0.4876 0.4263 0.0460 0.0851 0.0695 323 GLY A CA 2432 C C . GLY A 323 ? 0.4773 0.4775 0.4369 0.0403 0.0777 0.0734 323 GLY A C 2433 O O . GLY A 323 ? 0.4933 0.4813 0.4387 0.0387 0.0776 0.0785 323 GLY A O 2434 N N . LEU A 324 ? 0.6014 0.5945 0.5726 0.0380 0.0714 0.0710 324 LEU A N 2435 C CA . LEU A 324 ? 0.5058 0.4764 0.4733 0.0333 0.0647 0.0736 324 LEU A CA 2436 C C . LEU A 324 ? 0.5206 0.4912 0.4988 0.0225 0.0645 0.0794 324 LEU A C 2437 O O . LEU A 324 ? 0.6226 0.6094 0.6153 0.0208 0.0655 0.0778 324 LEU A O 2438 C CB . LEU A 324 ? 0.4223 0.3824 0.3915 0.0401 0.0569 0.0652 324 LEU A CB 2439 C CG . LEU A 324 ? 0.4997 0.4379 0.4597 0.0398 0.0509 0.0653 324 LEU A CG 2440 C CD1 . LEU A 324 ? 0.5913 0.5187 0.5574 0.0331 0.0464 0.0679 324 LEU A CD1 2441 C CD2 . LEU A 324 ? 0.4428 0.3748 0.3887 0.0387 0.0535 0.0707 324 LEU A CD2 2442 N N . GLN A 325 ? 0.4358 0.3892 0.4072 0.0153 0.0631 0.0857 325 GLN A N 2443 C CA . GLN A 325 ? 0.4363 0.3847 0.4167 0.0051 0.0608 0.0891 325 GLN A CA 2444 C C . GLN A 325 ? 0.5235 0.4488 0.4972 0.0055 0.0537 0.0874 325 GLN A C 2445 O O . GLN A 325 ? 0.5952 0.5058 0.5561 0.0080 0.0533 0.0898 325 GLN A O 2446 C CB . GLN A 325 ? 0.5151 0.4641 0.4948 -0.0058 0.0669 0.0987 325 GLN A CB 2447 C CG . GLN A 325 ? 0.6634 0.6349 0.6454 -0.0063 0.0761 0.1024 325 GLN A CG 2448 C CD . GLN A 325 ? 0.7454 0.7139 0.7101 0.0011 0.0799 0.1047 325 GLN A CD 2449 O OE1 . GLN A 325 ? 0.7192 0.6693 0.6705 -0.0004 0.0793 0.1107 325 GLN A OE1 2450 N NE2 . GLN A 325 ? 0.8309 0.8174 0.7953 0.0100 0.0833 0.0993 325 GLN A NE2 2451 N N . VAL A 326 ? 0.5777 0.5016 0.5605 0.0038 0.0480 0.0833 326 VAL A N 2452 C CA . VAL A 326 ? 0.5076 0.4125 0.4850 0.0046 0.0415 0.0807 326 VAL A CA 2453 C C . VAL A 326 ? 0.4826 0.3835 0.4672 -0.0044 0.0378 0.0810 326 VAL A C 2454 O O . VAL A 326 ? 0.4323 0.3489 0.4296 -0.0083 0.0374 0.0800 326 VAL A O 2455 C CB . VAL A 326 ? 0.4828 0.3886 0.4605 0.0141 0.0373 0.0738 326 VAL A CB 2456 C CG1 . VAL A 326 ? 0.5007 0.4262 0.4901 0.0176 0.0381 0.0704 326 VAL A CG1 2457 C CG2 . VAL A 326 ? 0.4933 0.3854 0.4696 0.0136 0.0309 0.0712 326 VAL A CG2 2458 N N . LEU A 327 ? 0.5353 0.4161 0.5118 -0.0075 0.0351 0.0821 327 LEU A N 2459 C CA . LEU A 327 ? 0.5243 0.3972 0.5042 -0.0162 0.0313 0.0815 327 LEU A CA 2460 C C . LEU A 327 ? 0.5901 0.4519 0.5655 -0.0119 0.0248 0.0759 327 LEU A C 2461 O O . LEU A 327 ? 0.6610 0.5081 0.6259 -0.0070 0.0243 0.0755 327 LEU A O 2462 C CB . LEU A 327 ? 0.4125 0.2685 0.3850 -0.0231 0.0340 0.0871 327 LEU A CB 2463 C CG . LEU A 327 ? 0.3979 0.2397 0.3709 -0.0320 0.0299 0.0856 327 LEU A CG 2464 C CD1 . LEU A 327 ? 0.4728 0.3299 0.4599 -0.0428 0.0301 0.0862 327 LEU A CD1 2465 C CD2 . LEU A 327 ? 0.3756 0.1944 0.3375 -0.0346 0.0320 0.0904 327 LEU A CD2 2466 N N . VAL A 328 ? 0.4961 0.3663 0.4794 -0.0135 0.0200 0.0720 328 VAL A N 2467 C CA . VAL A 328 ? 0.4177 0.2799 0.3960 -0.0091 0.0143 0.0674 328 VAL A CA 2468 C C . VAL A 328 ? 0.4448 0.2998 0.4226 -0.0164 0.0091 0.0646 328 VAL A C 2469 O O . VAL A 328 ? 0.4819 0.3455 0.4686 -0.0246 0.0078 0.0647 328 VAL A O 2470 C CB . VAL A 328 ? 0.4695 0.3457 0.4540 -0.0018 0.0119 0.0649 328 VAL A CB 2471 C CG1 . VAL A 328 ? 0.4845 0.3656 0.4682 0.0055 0.0164 0.0659 328 VAL A CG1 2472 C CG2 . VAL A 328 ? 0.4379 0.3328 0.4359 -0.0055 0.0097 0.0642 328 VAL A CG2 2473 N N . GLY A 329 ? 0.4457 0.2861 0.4132 -0.0134 0.0061 0.0616 329 GLY A N 2474 C CA . GLY A 329 ? 0.4040 0.2390 0.3692 -0.0186 0.0005 0.0574 329 GLY A CA 2475 C C . GLY A 329 ? 0.4693 0.2906 0.4222 -0.0143 -0.0022 0.0537 329 GLY A C 2476 O O . GLY A 329 ? 0.4276 0.2423 0.3736 -0.0071 0.0004 0.0544 329 GLY A O 2477 N N . VAL A 330 ? 0.5538 0.3723 0.5043 -0.0192 -0.0076 0.0492 330 VAL A N 2478 C CA . VAL A 330 ? 0.4663 0.2762 0.4052 -0.0155 -0.0108 0.0449 330 VAL A CA 2479 C C . VAL A 330 ? 0.4815 0.2788 0.4142 -0.0226 -0.0142 0.0394 330 VAL A C 2480 O O . VAL A 330 ? 0.5079 0.3067 0.4479 -0.0316 -0.0158 0.0388 330 VAL A O 2481 C CB . VAL A 330 ? 0.4243 0.2484 0.3655 -0.0125 -0.0159 0.0444 330 VAL A CB 2482 C CG1 . VAL A 330 ? 0.4302 0.2617 0.3747 -0.0045 -0.0130 0.0487 330 VAL A CG1 2483 C CG2 . VAL A 330 ? 0.3264 0.1655 0.2795 -0.0195 -0.0208 0.0435 330 VAL A CG2 2484 N N . VAL A 331 ? 0.4702 0.2554 0.3897 -0.0188 -0.0150 0.0350 331 VAL A N 2485 C CA . VAL A 331 ? 0.4919 0.2644 0.4037 -0.0245 -0.0189 0.0279 331 VAL A CA 2486 C C . VAL A 331 ? 0.5354 0.3197 0.4463 -0.0270 -0.0265 0.0237 331 VAL A C 2487 O O . VAL A 331 ? 0.4733 0.2736 0.3887 -0.0232 -0.0282 0.0272 331 VAL A O 2488 C CB . VAL A 331 ? 0.4960 0.2507 0.3933 -0.0182 -0.0161 0.0241 331 VAL A CB 2489 C CG1 . VAL A 331 ? 0.5142 0.2588 0.4125 -0.0143 -0.0094 0.0287 331 VAL A CG1 2490 C CG2 . VAL A 331 ? 0.4781 0.2401 0.3675 -0.0102 -0.0160 0.0237 331 VAL A CG2 2491 N N . LYS A 332 ? 0.5857 0.3615 0.4902 -0.0332 -0.0316 0.0160 332 LYS A N 2492 C CA . LYS A 332 ? 0.6164 0.4041 0.5191 -0.0363 -0.0401 0.0113 332 LYS A CA 2493 C C . LYS A 332 ? 0.5728 0.3641 0.4623 -0.0272 -0.0413 0.0108 332 LYS A C 2494 O O . LYS A 332 ? 0.6076 0.4148 0.4986 -0.0258 -0.0467 0.0124 332 LYS A O 2495 C CB . LYS A 332 ? 0.6569 0.4334 0.5551 -0.0459 -0.0458 0.0018 332 LYS A CB 2496 C CG . LYS A 332 ? 0.6772 0.4650 0.5700 -0.0484 -0.0555 -0.0046 332 LYS A CG 2497 C CD . LYS A 332 ? 0.7211 0.5153 0.6249 -0.0617 -0.0630 -0.0097 332 LYS A CD 2498 C CE . LYS A 332 ? 0.9345 0.7420 0.8319 -0.0628 -0.0737 -0.0163 332 LYS A CE 2499 N NZ . LYS A 332 ? 1.0141 0.8063 0.8880 -0.0580 -0.0754 -0.0247 332 LYS A NZ 2500 N N . ASP A 333 ? 0.4613 0.2386 0.3379 -0.0207 -0.0360 0.0093 333 ASP A N 2501 C CA . ASP A 333 ? 0.4906 0.2702 0.3528 -0.0134 -0.0362 0.0084 333 ASP A CA 2502 C C . ASP A 333 ? 0.4937 0.2712 0.3544 -0.0049 -0.0279 0.0145 333 ASP A C 2503 O O . ASP A 333 ? 0.4883 0.2559 0.3378 0.0000 -0.0234 0.0114 333 ASP A O 2504 C CB . ASP A 333 ? 0.4817 0.2492 0.3273 -0.0145 -0.0391 -0.0020 333 ASP A CB 2505 C CG . ASP A 333 ? 0.6116 0.3823 0.4589 -0.0239 -0.0485 -0.0089 333 ASP A CG 2506 O OD1 . ASP A 333 ? 0.6934 0.4819 0.5467 -0.0257 -0.0547 -0.0060 333 ASP A OD1 2507 O OD2 . ASP A 333 ? 0.6284 0.3839 0.4719 -0.0295 -0.0501 -0.0173 333 ASP A OD2 2508 N N . GLU A 334 ? 0.5323 0.3202 0.4052 -0.0033 -0.0260 0.0225 334 GLU A N 2509 C CA . GLU A 334 ? 0.6253 0.4129 0.5001 0.0032 -0.0189 0.0283 334 GLU A CA 2510 C C . GLU A 334 ? 0.6310 0.4186 0.4930 0.0091 -0.0165 0.0287 334 GLU A C 2511 O O . GLU A 334 ? 0.5519 0.3336 0.4101 0.0134 -0.0103 0.0286 334 GLU A O 2512 C CB . GLU A 334 ? 0.7280 0.5278 0.6163 0.0039 -0.0191 0.0354 334 GLU A CB 2513 C CG . GLU A 334 ? 0.7914 0.5933 0.6932 -0.0010 -0.0189 0.0364 334 GLU A CG 2514 C CD . GLU A 334 ? 0.7202 0.5134 0.6243 0.0009 -0.0121 0.0382 334 GLU A CD 2515 O OE1 . GLU A 334 ? 0.7263 0.5150 0.6244 0.0067 -0.0079 0.0391 334 GLU A OE1 2516 O OE2 . GLU A 334 ? 0.6645 0.4565 0.5765 -0.0034 -0.0111 0.0392 334 GLU A OE2 2517 N N . GLY A 335 ? 0.6786 0.4740 0.5342 0.0094 -0.0215 0.0296 335 GLY A N 2518 C CA . GLY A 335 ? 0.5969 0.3941 0.4406 0.0143 -0.0188 0.0324 335 GLY A CA 2519 C C . GLY A 335 ? 0.5498 0.3397 0.3773 0.0163 -0.0161 0.0257 335 GLY A C 2520 O O . GLY A 335 ? 0.5691 0.3600 0.3890 0.0208 -0.0104 0.0281 335 GLY A O 2521 N N . SER A 336 ? 0.4918 0.2745 0.3147 0.0129 -0.0199 0.0169 336 SER A N 2522 C CA . SER A 336 ? 0.4760 0.2519 0.2812 0.0148 -0.0195 0.0084 336 SER A CA 2523 C C . SER A 336 ? 0.5382 0.3101 0.3359 0.0216 -0.0103 0.0076 336 SER A C 2524 O O . SER A 336 ? 0.6190 0.3956 0.4028 0.0252 -0.0081 0.0073 336 SER A O 2525 C CB . SER A 336 ? 0.4934 0.2584 0.2975 0.0093 -0.0246 -0.0017 336 SER A CB 2526 O OG . SER A 336 ? 0.5242 0.2765 0.3354 0.0096 -0.0199 -0.0037 336 SER A OG 2527 N N . TYR A 337 ? 0.6102 0.3751 0.4169 0.0236 -0.0050 0.0075 337 TYR A N 2528 C CA . TYR A 337 ? 0.6319 0.3937 0.4329 0.0306 0.0031 0.0051 337 TYR A CA 2529 C C . TYR A 337 ? 0.5735 0.3483 0.3732 0.0343 0.0091 0.0126 337 TYR A C 2530 O O . TYR A 337 ? 0.4833 0.2605 0.2733 0.0394 0.0151 0.0099 337 TYR A O 2531 C CB . TYR A 337 ? 0.6252 0.3770 0.4366 0.0327 0.0064 0.0041 337 TYR A CB 2532 C CG . TYR A 337 ? 0.6936 0.4526 0.5166 0.0366 0.0127 0.0115 337 TYR A CG 2533 C CD1 . TYR A 337 ? 0.7183 0.4833 0.5377 0.0433 0.0198 0.0113 337 TYR A CD1 2534 C CD2 . TYR A 337 ? 0.6667 0.4276 0.5044 0.0336 0.0115 0.0180 337 TYR A CD2 2535 C CE1 . TYR A 337 ? 0.7457 0.5187 0.5767 0.0462 0.0247 0.0173 337 TYR A CE1 2536 C CE2 . TYR A 337 ? 0.5699 0.3376 0.4173 0.0371 0.0164 0.0236 337 TYR A CE2 2537 C CZ . TYR A 337 ? 0.6336 0.4074 0.4781 0.0430 0.0226 0.0232 337 TYR A CZ 2538 O OH . TYR A 337 ? 0.5869 0.3693 0.4418 0.0458 0.0268 0.0279 337 TYR A OH 2539 N N . PHE A 338 ? 0.5407 0.3236 0.3499 0.0315 0.0077 0.0218 338 PHE A N 2540 C CA . PHE A 338 ? 0.5653 0.3578 0.3760 0.0335 0.0134 0.0297 338 PHE A CA 2541 C C . PHE A 338 ? 0.6252 0.4238 0.4192 0.0347 0.0149 0.0309 338 PHE A C 2542 O O . PHE A 338 ? 0.6271 0.4326 0.4189 0.0369 0.0221 0.0351 338 PHE A O 2543 C CB . PHE A 338 ? 0.5333 0.3301 0.3575 0.0303 0.0108 0.0384 338 PHE A CB 2544 C CG . PHE A 338 ? 0.6735 0.4676 0.5131 0.0302 0.0119 0.0388 338 PHE A CG 2545 C CD1 . PHE A 338 ? 0.8164 0.6138 0.6632 0.0329 0.0183 0.0410 338 PHE A CD1 2546 C CD2 . PHE A 338 ? 0.7019 0.4916 0.5490 0.0271 0.0066 0.0371 338 PHE A CD2 2547 C CE1 . PHE A 338 ? 0.7985 0.5941 0.6579 0.0333 0.0188 0.0415 338 PHE A CE1 2548 C CE2 . PHE A 338 ? 0.6889 0.4764 0.5483 0.0271 0.0081 0.0382 338 PHE A CE2 2549 C CZ . PHE A 338 ? 0.7153 0.5054 0.5800 0.0306 0.0139 0.0404 338 PHE A CZ 2550 N N . LEU A 339 ? 0.5857 0.3827 0.3679 0.0330 0.0082 0.0274 339 LEU A N 2551 C CA . LEU A 339 ? 0.5359 0.3389 0.3000 0.0341 0.0084 0.0293 339 LEU A CA 2552 C C . LEU A 339 ? 0.5620 0.3669 0.3121 0.0390 0.0165 0.0236 339 LEU A C 2553 O O . LEU A 339 ? 0.6561 0.4684 0.3925 0.0403 0.0200 0.0276 339 LEU A O 2554 C CB . LEU A 339 ? 0.4566 0.2587 0.2114 0.0314 -0.0020 0.0255 339 LEU A CB 2555 C CG . LEU A 339 ? 0.4693 0.2732 0.2385 0.0275 -0.0096 0.0314 339 LEU A CG 2556 C CD1 . LEU A 339 ? 0.4817 0.2837 0.2497 0.0238 -0.0197 0.0237 339 LEU A CD1 2557 C CD2 . LEU A 339 ? 0.4433 0.2543 0.2094 0.0282 -0.0108 0.0429 339 LEU A CD2 2558 N N . VAL A 340 ? 0.5231 0.3213 0.2764 0.0422 0.0198 0.0147 340 VAL A N 2559 C CA . VAL A 340 ? 0.5248 0.3260 0.2672 0.0484 0.0283 0.0089 340 VAL A CA 2560 C C . VAL A 340 ? 0.4908 0.3036 0.2424 0.0504 0.0383 0.0171 340 VAL A C 2561 O O . VAL A 340 ? 0.4729 0.2926 0.2183 0.0556 0.0466 0.0138 340 VAL A O 2562 C CB . VAL A 340 ? 0.6149 0.4038 0.3569 0.0528 0.0285 -0.0038 340 VAL A CB 2563 C CG1 . VAL A 340 ? 0.4918 0.2679 0.2293 0.0484 0.0181 -0.0113 340 VAL A CG1 2564 C CG2 . VAL A 340 ? 0.4651 0.2516 0.2265 0.0546 0.0321 -0.0013 340 VAL A CG2 2565 N N . TYR A 341 ? 0.5602 0.3761 0.3272 0.0461 0.0374 0.0271 341 TYR A N 2566 C CA . TYR A 341 ? 0.5710 0.3977 0.3485 0.0463 0.0457 0.0345 341 TYR A CA 2567 C C . TYR A 341 ? 0.6347 0.4698 0.4049 0.0426 0.0483 0.0450 341 TYR A C 2568 O O . TYR A 341 ? 0.6055 0.4465 0.3873 0.0393 0.0522 0.0537 341 TYR A O 2569 C CB . TYR A 341 ? 0.5183 0.3427 0.3172 0.0442 0.0440 0.0380 341 TYR A CB 2570 C CG . TYR A 341 ? 0.5589 0.3777 0.3653 0.0492 0.0448 0.0297 341 TYR A CG 2571 C CD1 . TYR A 341 ? 0.5530 0.3801 0.3656 0.0544 0.0525 0.0278 341 TYR A CD1 2572 C CD2 . TYR A 341 ? 0.6237 0.4292 0.4307 0.0488 0.0377 0.0241 341 TYR A CD2 2573 C CE1 . TYR A 341 ? 0.5642 0.3852 0.3826 0.0603 0.0526 0.0209 341 TYR A CE1 2574 C CE2 . TYR A 341 ? 0.5993 0.3970 0.4115 0.0534 0.0384 0.0177 341 TYR A CE2 2575 C CZ . TYR A 341 ? 0.5709 0.3757 0.3883 0.0598 0.0456 0.0163 341 TYR A CZ 2576 O OH . TYR A 341 ? 0.6078 0.4039 0.4300 0.0656 0.0456 0.0107 341 TYR A OH 2577 N N . GLY A 342 ? 0.6926 0.5274 0.4430 0.0428 0.0459 0.0442 342 GLY A N 2578 C CA . GLY A 342 ? 0.7410 0.5829 0.4806 0.0402 0.0489 0.0547 342 GLY A CA 2579 C C . GLY A 342 ? 0.7999 0.6373 0.5266 0.0380 0.0399 0.0593 342 GLY A C 2580 O O . GLY A 342 ? 0.9640 0.8057 0.6803 0.0362 0.0420 0.0694 342 GLY A O 2581 N N . ALA A 343 ? 0.7635 0.5929 0.4911 0.0380 0.0298 0.0526 343 ALA A N 2582 C CA . ALA A 343 ? 0.7859 0.6140 0.5006 0.0369 0.0206 0.0557 343 ALA A CA 2583 C C . ALA A 343 ? 0.7686 0.6006 0.4585 0.0401 0.0216 0.0491 343 ALA A C 2584 O O . ALA A 343 ? 0.8016 0.6305 0.4870 0.0428 0.0218 0.0360 343 ALA A O 2585 C CB . ALA A 343 ? 0.7554 0.5769 0.4805 0.0352 0.0097 0.0505 343 ALA A CB 2586 N N . PRO A 344 ? 0.6864 0.5241 0.3588 0.0402 0.0223 0.0581 344 PRO A N 2587 C CA . PRO A 344 ? 0.6745 0.5179 0.3206 0.0437 0.0250 0.0529 344 PRO A CA 2588 C C . PRO A 344 ? 0.6518 0.4908 0.2871 0.0449 0.0139 0.0399 344 PRO A C 2589 O O . PRO A 344 ? 0.6525 0.4898 0.2884 0.0428 0.0026 0.0427 344 PRO A O 2590 C CB . PRO A 344 ? 0.5730 0.4218 0.2049 0.0426 0.0259 0.0684 344 PRO A CB 2591 C CG . PRO A 344 ? 0.6911 0.5340 0.3381 0.0396 0.0176 0.0777 344 PRO A CG 2592 C CD . PRO A 344 ? 0.7071 0.5446 0.3817 0.0376 0.0190 0.0733 344 PRO A CD 2593 N N . GLY A 345 ? 0.6046 0.4417 0.2317 0.0482 0.0169 0.0254 345 GLY A N 2594 C CA . GLY A 345 ? 0.5975 0.4284 0.2153 0.0483 0.0067 0.0112 345 GLY A CA 2595 C C . GLY A 345 ? 0.7189 0.5387 0.3509 0.0486 0.0070 -0.0017 345 GLY A C 2596 O O . GLY A 345 ? 0.8085 0.6218 0.4290 0.0504 0.0039 -0.0165 345 GLY A O 2597 N N . PHE A 346 ? 0.7267 0.5434 0.3828 0.0470 0.0109 0.0038 346 PHE A N 2598 C CA . PHE A 346 ? 0.7045 0.5095 0.3760 0.0466 0.0096 -0.0057 346 PHE A CA 2599 C C . PHE A 346 ? 0.8008 0.6028 0.4729 0.0529 0.0200 -0.0133 346 PHE A C 2600 O O . PHE A 346 ? 0.8917 0.7024 0.5697 0.0558 0.0302 -0.0064 346 PHE A O 2601 C CB . PHE A 346 ? 0.6581 0.4609 0.3546 0.0420 0.0066 0.0031 346 PHE A CB 2602 C CG . PHE A 346 ? 0.6873 0.4920 0.3863 0.0368 -0.0047 0.0079 346 PHE A CG 2603 C CD1 . PHE A 346 ? 0.6323 0.4462 0.3271 0.0364 -0.0059 0.0203 346 PHE A CD1 2604 C CD2 . PHE A 346 ? 0.5154 0.3131 0.2217 0.0325 -0.0140 0.0004 346 PHE A CD2 2605 C CE1 . PHE A 346 ? 0.6357 0.4524 0.3335 0.0332 -0.0166 0.0247 346 PHE A CE1 2606 C CE2 . PHE A 346 ? 0.6894 0.4922 0.3998 0.0282 -0.0243 0.0044 346 PHE A CE2 2607 C CZ . PHE A 346 ? 0.6816 0.4943 0.3879 0.0294 -0.0258 0.0164 346 PHE A CZ 2608 N N . SER A 347 ? 0.7569 0.5466 0.4232 0.0550 0.0170 -0.0280 347 SER A N 2609 C CA . SER A 347 ? 0.8002 0.5826 0.4708 0.0616 0.0245 -0.0364 347 SER A CA 2610 C C . SER A 347 ? 0.8269 0.5897 0.5036 0.0593 0.0169 -0.0470 347 SER A C 2611 O O . SER A 347 ? 0.5797 0.3364 0.2507 0.0533 0.0067 -0.0517 347 SER A O 2612 C CB . SER A 347 ? 0.7524 0.5397 0.4016 0.0698 0.0321 -0.0453 347 SER A CB 2613 O OG . SER A 347 ? 0.7667 0.5468 0.4210 0.0777 0.0389 -0.0540 347 SER A OG 2614 N N . LYS A 348 ? 0.8258 0.5791 0.5144 0.0638 0.0217 -0.0502 348 LYS A N 2615 C CA . LYS A 348 ? 0.8222 0.5542 0.5151 0.0620 0.0156 -0.0599 348 LYS A CA 2616 C C . LYS A 348 ? 0.8448 0.5643 0.5167 0.0666 0.0142 -0.0769 348 LYS A C 2617 O O . LYS A 348 ? 0.9600 0.6587 0.6326 0.0653 0.0095 -0.0867 348 LYS A O 2618 C CB . LYS A 348 ? 0.6977 0.4221 0.4084 0.0664 0.0208 -0.0570 348 LYS A CB 2619 C CG . LYS A 348 ? 0.6439 0.3698 0.3494 0.0787 0.0309 -0.0630 348 LYS A CG 2620 C CD . LYS A 348 ? 0.6414 0.3529 0.3599 0.0843 0.0330 -0.0647 348 LYS A CD 2621 C CE . LYS A 348 ? 0.6622 0.3513 0.3679 0.0909 0.0319 -0.0806 348 LYS A CE 2622 N NZ . LYS A 348 ? 0.6365 0.3326 0.3312 0.1042 0.0411 -0.0886 348 LYS A NZ 2623 N N . ASP A 349 ? 0.7037 0.4349 0.3563 0.0717 0.0185 -0.0806 349 ASP A N 2624 C CA . ASP A 349 ? 0.7331 0.4534 0.3647 0.0780 0.0188 -0.0978 349 ASP A CA 2625 C C . ASP A 349 ? 0.8222 0.5431 0.4327 0.0727 0.0096 -0.1057 349 ASP A C 2626 O O . ASP A 349 ? 0.8407 0.5485 0.4339 0.0758 0.0069 -0.1222 349 ASP A O 2627 C CB . ASP A 349 ? 0.7708 0.5025 0.3942 0.0905 0.0319 -0.1000 349 ASP A CB 2628 C CG . ASP A 349 ? 0.8528 0.5847 0.4973 0.0967 0.0400 -0.0941 349 ASP A CG 2629 O OD1 . ASP A 349 ? 0.6553 0.3676 0.3042 0.1017 0.0394 -0.1030 349 ASP A OD1 2630 O OD2 . ASP A 349 ? 0.8472 0.5984 0.5032 0.0965 0.0465 -0.0805 349 ASP A OD2 2631 N N . ASN A 350 ? 0.8323 0.5682 0.4437 0.0653 0.0045 -0.0944 350 ASN A N 2632 C CA . ASN A 350 ? 0.7914 0.5283 0.3876 0.0587 -0.0072 -0.1001 350 ASN A CA 2633 C C . ASN A 350 ? 0.7824 0.5197 0.3974 0.0475 -0.0175 -0.0914 350 ASN A C 2634 O O . ASN A 350 ? 0.7727 0.5104 0.4099 0.0456 -0.0145 -0.0803 350 ASN A O 2635 C CB . ASN A 350 ? 0.9309 0.6869 0.5041 0.0623 -0.0047 -0.0968 350 ASN A CB 2636 C CG . ASN A 350 ? 1.0786 0.8535 0.6609 0.0620 0.0017 -0.0767 350 ASN A CG 2637 O OD1 . ASN A 350 ? 1.1215 0.9014 0.7167 0.0550 -0.0049 -0.0653 350 ASN A OD1 2638 N ND2 . ASN A 350 ? 1.2217 1.0077 0.7969 0.0698 0.0147 -0.0728 350 ASN A ND2 2639 N N . GLU A 351 ? 0.8676 0.6060 0.4742 0.0404 -0.0298 -0.0967 351 GLU A N 2640 C CA . GLU A 351 ? 0.8223 0.5628 0.4481 0.0300 -0.0397 -0.0897 351 GLU A CA 2641 C C . GLU A 351 ? 0.7202 0.4804 0.3539 0.0294 -0.0393 -0.0717 351 GLU A C 2642 O O . GLU A 351 ? 0.6953 0.4622 0.3401 0.0223 -0.0485 -0.0662 351 GLU A O 2643 C CB . GLU A 351 ? 0.9225 0.6606 0.5389 0.0223 -0.0538 -0.1015 351 GLU A CB 2644 C CG . GLU A 351 ? 1.0657 0.7865 0.6638 0.0239 -0.0557 -0.1217 351 GLU A CG 2645 C CD . GLU A 351 ? 1.1972 0.9157 0.7910 0.0137 -0.0709 -0.1328 351 GLU A CD 2646 O OE1 . GLU A 351 ? 1.2449 0.9650 0.8600 0.0038 -0.0780 -0.1275 351 GLU A OE1 2647 O OE2 . GLU A 351 ? 1.2292 0.9459 0.7984 0.0156 -0.0756 -0.1470 351 GLU A OE2 2648 N N . SER A 352 ? 0.6977 0.4670 0.3258 0.0367 -0.0285 -0.0628 352 SER A N 2649 C CA . SER A 352 ? 0.6908 0.4760 0.3241 0.0368 -0.0268 -0.0455 352 SER A CA 2650 C C . SER A 352 ? 0.7261 0.5216 0.3544 0.0320 -0.0392 -0.0416 352 SER A C 2651 O O . SER A 352 ? 0.6647 0.4661 0.3100 0.0283 -0.0432 -0.0305 352 SER A O 2652 C CB . SER A 352 ? 0.6764 0.4601 0.3365 0.0352 -0.0219 -0.0346 352 SER A CB 2653 O OG . SER A 352 ? 0.7568 0.5359 0.4201 0.0411 -0.0100 -0.0357 352 SER A OG 2654 N N . LEU A 353 ? 0.7882 0.5863 0.3930 0.0327 -0.0455 -0.0512 353 LEU A N 2655 C CA . LEU A 353 ? 0.7930 0.6028 0.3911 0.0293 -0.0583 -0.0480 353 LEU A CA 2656 C C . LEU A 353 ? 0.7626 0.5864 0.3492 0.0341 -0.0549 -0.0322 353 LEU A C 2657 O O . LEU A 353 ? 0.7808 0.6111 0.3409 0.0383 -0.0549 -0.0339 353 LEU A O 2658 C CB . LEU A 353 ? 0.7374 0.5447 0.3145 0.0275 -0.0679 -0.0653 353 LEU A CB 2659 C CG . LEU A 353 ? 0.7466 0.5404 0.3391 0.0196 -0.0750 -0.0784 353 LEU A CG 2660 C CD1 . LEU A 353 ? 0.7149 0.5023 0.2855 0.0183 -0.0824 -0.0977 353 LEU A CD1 2661 C CD2 . LEU A 353 ? 0.6622 0.4649 0.2769 0.0118 -0.0855 -0.0709 353 LEU A CD2 2662 N N . ILE A 354 ? 0.7132 0.5406 0.3191 0.0335 -0.0520 -0.0168 354 ILE A N 2663 C CA . ILE A 354 ? 0.7569 0.5937 0.3543 0.0377 -0.0471 -0.0005 354 ILE A CA 2664 C C . ILE A 354 ? 0.7725 0.6205 0.3527 0.0386 -0.0585 0.0047 354 ILE A C 2665 O O . ILE A 354 ? 0.6474 0.4991 0.2322 0.0352 -0.0719 -0.0006 354 ILE A O 2666 C CB . ILE A 354 ? 0.7344 0.5700 0.3572 0.0366 -0.0419 0.0136 354 ILE A CB 2667 C CG1 . ILE A 354 ? 0.5804 0.4170 0.2247 0.0319 -0.0530 0.0144 354 ILE A CG1 2668 C CG2 . ILE A 354 ? 0.5817 0.4087 0.2173 0.0370 -0.0299 0.0100 354 ILE A CG2 2669 C CD1 . ILE A 354 ? 0.6497 0.4885 0.3117 0.0325 -0.0511 0.0299 354 ILE A CD1 2670 N N . SER A 355 ? 0.7404 0.5947 0.3009 0.0433 -0.0531 0.0155 355 SER A N 2671 C CA . SER A 355 ? 0.7945 0.6590 0.3378 0.0456 -0.0630 0.0239 355 SER A CA 2672 C C . SER A 355 ? 0.8041 0.6698 0.3677 0.0453 -0.0659 0.0404 355 SER A C 2673 O O . SER A 355 ? 0.8664 0.7256 0.4505 0.0440 -0.0571 0.0464 355 SER A O 2674 C CB . SER A 355 ? 0.8001 0.6695 0.3141 0.0506 -0.0545 0.0311 355 SER A CB 2675 O OG . SER A 355 ? 0.7309 0.5986 0.2532 0.0515 -0.0437 0.0487 355 SER A OG 2676 N N . ARG A 356 ? 0.8142 0.6884 0.3721 0.0472 -0.0782 0.0475 356 ARG A N 2677 C CA . ARG A 356 ? 0.8037 0.6783 0.3800 0.0485 -0.0811 0.0631 356 ARG A CA 2678 C C . ARG A 356 ? 0.8275 0.6953 0.4021 0.0506 -0.0677 0.0788 356 ARG A C 2679 O O . ARG A 356 ? 0.8204 0.6823 0.4170 0.0498 -0.0640 0.0875 356 ARG A O 2680 C CB . ARG A 356 ? 0.6691 0.5546 0.2362 0.0523 -0.0963 0.0694 356 ARG A CB 2681 C CG . ARG A 356 ? 0.6591 0.5433 0.2403 0.0561 -0.0980 0.0870 356 ARG A CG 2682 C CD . ARG A 356 ? 1.0123 0.9084 0.6007 0.0587 -0.1150 0.0875 356 ARG A CD 2683 N NE . ARG A 356 ? 1.0456 0.9390 0.6544 0.0626 -0.1162 0.1013 356 ARG A NE 2684 C CZ . ARG A 356 ? 1.0669 0.9585 0.7062 0.0598 -0.1152 0.0981 356 ARG A CZ 2685 N NH1 . ARG A 356 ? 0.6032 0.4947 0.2561 0.0527 -0.1129 0.0829 356 ARG A NH1 2686 N NH2 . ARG A 356 ? 0.6101 0.4990 0.2654 0.0645 -0.1163 0.1101 356 ARG A NH2 2687 N N . ALA A 357 ? 0.8944 0.7635 0.4425 0.0528 -0.0600 0.0818 357 ALA A N 2688 C CA . ALA A 357 ? 0.8684 0.7325 0.4137 0.0533 -0.0462 0.0964 357 ALA A CA 2689 C C . ALA A 357 ? 0.8509 0.7078 0.4202 0.0493 -0.0346 0.0921 357 ALA A C 2690 O O . ALA A 357 ? 1.0183 0.8696 0.6010 0.0480 -0.0273 0.1042 357 ALA A O 2691 C CB . ALA A 357 ? 0.7026 0.5720 0.2154 0.0556 -0.0392 0.0983 357 ALA A CB 2692 N N . GLU A 358 ? 0.7195 0.5757 0.2941 0.0476 -0.0335 0.0749 358 GLU A N 2693 C CA . GLU A 358 ? 0.7125 0.5624 0.3096 0.0448 -0.0238 0.0700 358 GLU A CA 2694 C C . GLU A 358 ? 0.6940 0.5389 0.3210 0.0421 -0.0296 0.0717 358 GLU A C 2695 O O . GLU A 358 ? 0.6407 0.4805 0.2874 0.0402 -0.0220 0.0747 358 GLU A O 2696 C CB . GLU A 358 ? 0.7371 0.5860 0.3288 0.0448 -0.0211 0.0514 358 GLU A CB 2697 C CG . GLU A 358 ? 0.6392 0.4929 0.2062 0.0482 -0.0108 0.0487 358 GLU A CG 2698 C CD . GLU A 358 ? 1.0052 0.8562 0.5646 0.0497 -0.0102 0.0287 358 GLU A CD 2699 O OE1 . GLU A 358 ? 0.9542 0.8014 0.5156 0.0479 -0.0217 0.0170 358 GLU A OE1 2700 O OE2 . GLU A 358 ? 0.6550 0.5077 0.2069 0.0527 0.0019 0.0243 358 GLU A OE2 2701 N N . PHE A 359 ? 0.7036 0.5518 0.3336 0.0422 -0.0432 0.0695 359 PHE A N 2702 C CA . PHE A 359 ? 0.5627 0.4090 0.2193 0.0404 -0.0490 0.0714 359 PHE A CA 2703 C C . PHE A 359 ? 0.7079 0.5505 0.3731 0.0422 -0.0451 0.0879 359 PHE A C 2704 O O . PHE A 359 ? 0.8076 0.6444 0.4929 0.0403 -0.0391 0.0900 359 PHE A O 2705 C CB . PHE A 359 ? 0.5692 0.4236 0.2260 0.0407 -0.0644 0.0672 359 PHE A CB 2706 C CG . PHE A 359 ? 0.6150 0.4706 0.2984 0.0397 -0.0701 0.0701 359 PHE A CG 2707 C CD1 . PHE A 359 ? 0.5251 0.3765 0.2306 0.0354 -0.0667 0.0624 359 PHE A CD1 2708 C CD2 . PHE A 359 ? 0.6135 0.4748 0.2995 0.0440 -0.0786 0.0808 359 PHE A CD2 2709 C CE1 . PHE A 359 ? 0.6508 0.5049 0.3801 0.0348 -0.0710 0.0649 359 PHE A CE1 2710 C CE2 . PHE A 359 ? 0.6460 0.5099 0.3571 0.0442 -0.0833 0.0827 359 PHE A CE2 2711 C CZ . PHE A 359 ? 0.6512 0.5122 0.3837 0.0393 -0.0791 0.0745 359 PHE A CZ 2712 N N . LEU A 360 ? 0.6319 0.4770 0.2805 0.0459 -0.0491 0.0996 360 LEU A N 2713 C CA . LEU A 360 ? 0.6740 0.5129 0.3272 0.0479 -0.0463 0.1164 360 LEU A CA 2714 C C . LEU A 360 ? 0.7225 0.5535 0.3828 0.0445 -0.0315 0.1213 360 LEU A C 2715 O O . LEU A 360 ? 0.7208 0.5442 0.3973 0.0438 -0.0288 0.1296 360 LEU A O 2716 C CB . LEU A 360 ? 0.6060 0.4476 0.2336 0.0525 -0.0513 0.1283 360 LEU A CB 2717 C CG . LEU A 360 ? 0.6702 0.5202 0.2942 0.0571 -0.0676 0.1278 360 LEU A CG 2718 C CD1 . LEU A 360 ? 0.6483 0.5047 0.2406 0.0606 -0.0719 0.1320 360 LEU A CD1 2719 C CD2 . LEU A 360 ? 0.7609 0.6064 0.4004 0.0615 -0.0736 0.1399 360 LEU A CD2 2720 N N . ALA A 361 ? 0.7063 0.5400 0.3551 0.0425 -0.0222 0.1151 361 ALA A N 2721 C CA . ALA A 361 ? 0.7264 0.5569 0.3809 0.0393 -0.0082 0.1191 361 ALA A CA 2722 C C . ALA A 361 ? 0.7622 0.5890 0.4435 0.0366 -0.0050 0.1113 361 ALA A C 2723 O O . ALA A 361 ? 0.7600 0.5820 0.4554 0.0340 0.0017 0.1179 361 ALA A O 2724 C CB . ALA A 361 ? 0.5807 0.4180 0.2152 0.0395 0.0003 0.1136 361 ALA A CB 2725 N N . GLY A 362 ? 0.7660 0.5949 0.4533 0.0368 -0.0101 0.0971 362 GLY A N 2726 C CA . GLY A 362 ? 0.7074 0.5332 0.4171 0.0346 -0.0074 0.0890 362 GLY A CA 2727 C C . GLY A 362 ? 0.6752 0.4970 0.4059 0.0341 -0.0130 0.0934 362 GLY A C 2728 O O . GLY A 362 ? 0.7016 0.5200 0.4507 0.0323 -0.0089 0.0912 362 GLY A O 2729 N N . VAL A 363 ? 0.5985 0.4213 0.3260 0.0364 -0.0226 0.0992 363 VAL A N 2730 C CA . VAL A 363 ? 0.4785 0.2981 0.2245 0.0374 -0.0274 0.1044 363 VAL A CA 2731 C C . VAL A 363 ? 0.5740 0.3856 0.3281 0.0361 -0.0189 0.1138 363 VAL A C 2732 O O . VAL A 363 ? 0.6016 0.4094 0.3747 0.0356 -0.0185 0.1135 363 VAL A O 2733 C CB . VAL A 363 ? 0.6390 0.4619 0.3783 0.0418 -0.0386 0.1108 363 VAL A CB 2734 C CG1 . VAL A 363 ? 0.4877 0.3040 0.2399 0.0446 -0.0402 0.1214 363 VAL A CG1 2735 C CG2 . VAL A 363 ? 0.4879 0.3199 0.2322 0.0417 -0.0486 0.1000 363 VAL A CG2 2736 N N . ARG A 364 ? 0.6072 0.4169 0.3467 0.0350 -0.0118 0.1216 364 ARG A N 2737 C CA . ARG A 364 ? 0.6204 0.4227 0.3674 0.0321 -0.0036 0.1308 364 ARG A CA 2738 C C . ARG A 364 ? 0.6942 0.4985 0.4544 0.0282 0.0055 0.1234 364 ARG A C 2739 O O . ARG A 364 ? 0.7806 0.5801 0.5525 0.0249 0.0112 0.1281 364 ARG A O 2740 C CB . ARG A 364 ? 0.6230 0.4264 0.3534 0.0307 0.0012 0.1417 364 ARG A CB 2741 C CG . ARG A 364 ? 0.8219 0.6271 0.5457 0.0341 -0.0079 0.1493 364 ARG A CG 2742 C CD . ARG A 364 ? 0.9290 0.7302 0.6758 0.0350 -0.0135 0.1528 364 ARG A CD 2743 N NE . ARG A 364 ? 1.1062 0.9056 0.8554 0.0329 -0.0124 0.1650 364 ARG A NE 2744 C CZ . ARG A 364 ? 1.2238 1.0173 0.9932 0.0300 -0.0111 0.1688 364 ARG A CZ 2745 N NH1 . ARG A 364 ? 1.3010 1.0920 1.0898 0.0293 -0.0104 0.1609 364 ARG A NH1 2746 N NH2 . ARG A 364 ? 1.1999 0.9894 0.9690 0.0277 -0.0108 0.1804 364 ARG A NH2 2747 N N . VAL A 365 ? 0.5957 0.4067 0.3537 0.0286 0.0063 0.1116 365 VAL A N 2748 C CA . VAL A 365 ? 0.5867 0.4004 0.3553 0.0265 0.0144 0.1044 365 VAL A CA 2749 C C . VAL A 365 ? 0.7234 0.5351 0.5105 0.0269 0.0100 0.0962 365 VAL A C 2750 O O . VAL A 365 ? 0.8629 0.6736 0.6653 0.0251 0.0144 0.0951 365 VAL A O 2751 C CB . VAL A 365 ? 0.5231 0.3438 0.2767 0.0277 0.0196 0.0969 365 VAL A CB 2752 C CG1 . VAL A 365 ? 0.5772 0.3998 0.3428 0.0281 0.0237 0.0859 365 VAL A CG1 2753 C CG2 . VAL A 365 ? 0.5073 0.3325 0.2484 0.0261 0.0287 0.1054 365 VAL A CG2 2754 N N . GLY A 366 ? 0.6193 0.4315 0.4050 0.0287 0.0012 0.0909 366 GLY A N 2755 C CA . GLY A 366 ? 0.5331 0.3444 0.3353 0.0285 -0.0031 0.0841 366 GLY A CA 2756 C C . GLY A 366 ? 0.6322 0.4401 0.4493 0.0289 -0.0058 0.0903 366 GLY A C 2757 O O . GLY A 366 ? 0.7677 0.5749 0.6003 0.0283 -0.0054 0.0864 366 GLY A O 2758 N N . VAL A 367 ? 0.5549 0.3600 0.3661 0.0304 -0.0083 0.1000 367 VAL A N 2759 C CA . VAL A 367 ? 0.5736 0.3731 0.3970 0.0317 -0.0105 0.1062 367 VAL A CA 2760 C C . VAL A 367 ? 0.6643 0.4585 0.4855 0.0294 -0.0044 0.1153 367 VAL A C 2761 O O . VAL A 367 ? 0.7559 0.5503 0.5685 0.0301 -0.0064 0.1231 367 VAL A O 2762 C CB . VAL A 367 ? 0.5865 0.3872 0.4083 0.0363 -0.0204 0.1097 367 VAL A CB 2763 C CG1 . VAL A 367 ? 0.5985 0.3956 0.4369 0.0386 -0.0223 0.1134 367 VAL A CG1 2764 C CG2 . VAL A 367 ? 0.5505 0.3605 0.3753 0.0366 -0.0266 0.1004 367 VAL A CG2 2765 N N . PRO A 368 ? 0.5863 0.3810 0.4200 0.0255 0.0024 0.1128 368 PRO A N 2766 C CA . PRO A 368 ? 0.5619 0.3566 0.3983 0.0206 0.0087 0.1189 368 PRO A CA 2767 C C . PRO A 368 ? 0.5952 0.3875 0.4457 0.0198 0.0047 0.1235 368 PRO A C 2768 O O . PRO A 368 ? 0.4050 0.1973 0.2668 0.0233 -0.0012 0.1198 368 PRO A O 2769 C CB . PRO A 368 ? 0.4877 0.2840 0.3344 0.0178 0.0150 0.1129 368 PRO A CB 2770 C CG . PRO A 368 ? 0.4165 0.2136 0.2754 0.0207 0.0099 0.1053 368 PRO A CG 2771 C CD . PRO A 368 ? 0.4770 0.2729 0.3244 0.0252 0.0036 0.1044 368 PRO A CD 2772 N N . GLN A 369 ? 0.8010 0.5907 0.6498 0.0154 0.0080 0.1316 369 GLN A N 2773 C CA . GLN A 369 ? 1.0282 0.8122 0.8905 0.0134 0.0053 0.1359 369 GLN A CA 2774 C C . GLN A 369 ? 0.9784 0.7604 0.8440 0.0202 -0.0033 0.1373 369 GLN A C 2775 O O . GLN A 369 ? 0.9501 0.7309 0.8305 0.0228 -0.0067 0.1324 369 GLN A O 2776 C CB . GLN A 369 ? 1.2909 1.0742 1.1703 0.0104 0.0072 0.1288 369 GLN A CB 2777 C CG . GLN A 369 ? 1.4744 1.2496 1.3661 0.0069 0.0057 0.1323 369 GLN A CG 2778 C CD . GLN A 369 ? 1.5651 1.3396 1.4726 0.0069 0.0046 0.1233 369 GLN A CD 2779 O OE1 . GLN A 369 ? 1.5640 1.3448 1.4747 0.0108 0.0036 0.1153 369 GLN A OE1 2780 N NE2 . GLN A 369 ? 1.6068 1.3732 1.5237 0.0023 0.0048 0.1248 369 GLN A NE2 2781 N N . VAL A 370 ? 0.9081 0.6907 0.7593 0.0237 -0.0067 0.1437 370 VAL A N 2782 C CA . VAL A 370 ? 0.7990 0.5807 0.6526 0.0309 -0.0149 0.1462 370 VAL A CA 2783 C C . VAL A 370 ? 0.9226 0.7010 0.7638 0.0314 -0.0166 0.1581 370 VAL A C 2784 O O . VAL A 370 ? 1.0603 0.8411 0.8849 0.0283 -0.0130 0.1622 370 VAL A O 2785 C CB . VAL A 370 ? 0.6718 0.4600 0.5190 0.0368 -0.0200 0.1399 370 VAL A CB 2786 C CG1 . VAL A 370 ? 0.6154 0.4059 0.4775 0.0372 -0.0196 0.1296 370 VAL A CG1 2787 C CG2 . VAL A 370 ? 0.5537 0.3453 0.3798 0.0352 -0.0176 0.1395 370 VAL A CG2 2788 N N . SER A 371 ? 0.9021 0.6750 0.7508 0.0355 -0.0217 0.1638 371 SER A N 2789 C CA . SER A 371 ? 0.8327 0.6017 0.6702 0.0368 -0.0244 0.1763 371 SER A CA 2790 C C . SER A 371 ? 0.8066 0.5838 0.6245 0.0417 -0.0290 0.1782 371 SER A C 2791 O O . SER A 371 ? 0.6934 0.4779 0.5092 0.0455 -0.0322 0.1697 371 SER A O 2792 C CB . SER A 371 ? 0.9012 0.6624 0.7509 0.0427 -0.0300 0.1808 371 SER A CB 2793 O OG . SER A 371 ? 0.8991 0.6663 0.7554 0.0514 -0.0363 0.1739 371 SER A OG 2794 N N . ASP A 372 ? 0.9059 0.6816 0.7090 0.0413 -0.0300 0.1895 372 ASP A N 2795 C CA . ASP A 372 ? 0.8211 0.6050 0.6037 0.0461 -0.0355 0.1923 372 ASP A CA 2796 C C . ASP A 372 ? 0.8272 0.6163 0.6148 0.0558 -0.0459 0.1881 372 ASP A C 2797 O O . ASP A 372 ? 0.7484 0.5463 0.5270 0.0587 -0.0499 0.1809 372 ASP A O 2798 C CB . ASP A 372 ? 0.8843 0.6648 0.6533 0.0450 -0.0363 0.2068 372 ASP A CB 2799 C CG . ASP A 372 ? 0.9125 0.6925 0.6696 0.0356 -0.0266 0.2112 372 ASP A CG 2800 O OD1 . ASP A 372 ? 0.8936 0.6746 0.6569 0.0301 -0.0189 0.2033 372 ASP A OD1 2801 O OD2 . ASP A 372 ? 0.8698 0.6492 0.6111 0.0339 -0.0265 0.2227 372 ASP A OD2 2802 N N . LEU A 373 ? 0.8730 0.6567 0.6751 0.0608 -0.0504 0.1923 373 LEU A N 2803 C CA . LEU A 373 ? 0.5558 0.3458 0.3641 0.0707 -0.0603 0.1894 373 LEU A CA 2804 C C . LEU A 373 ? 0.7200 0.5170 0.5370 0.0718 -0.0609 0.1760 373 LEU A C 2805 O O . LEU A 373 ? 0.6717 0.4783 0.4879 0.0784 -0.0694 0.1722 373 LEU A O 2806 C CB . LEU A 373 ? 0.5636 0.3451 0.3878 0.0761 -0.0632 0.1950 373 LEU A CB 2807 C CG . LEU A 373 ? 0.7963 0.5859 0.6263 0.0877 -0.0739 0.1942 373 LEU A CG 2808 C CD1 . LEU A 373 ? 0.5837 0.3843 0.3943 0.0916 -0.0821 0.1991 373 LEU A CD1 2809 C CD2 . LEU A 373 ? 0.5799 0.3595 0.4234 0.0940 -0.0765 0.2008 373 LEU A CD2 2810 N N . ALA A 374 ? 0.7076 0.5003 0.5332 0.0649 -0.0524 0.1691 374 ALA A N 2811 C CA . ALA A 374 ? 0.6252 0.4229 0.4599 0.0652 -0.0525 0.1573 374 ALA A CA 2812 C C . ALA A 374 ? 0.6514 0.4557 0.4686 0.0635 -0.0543 0.1523 374 ALA A C 2813 O O . ALA A 374 ? 0.6179 0.4289 0.4359 0.0673 -0.0611 0.1458 374 ALA A O 2814 C CB . ALA A 374 ? 0.5664 0.3579 0.4155 0.0587 -0.0436 0.1519 374 ALA A CB 2815 N N . ALA A 375 ? 0.6216 0.4241 0.4226 0.0580 -0.0488 0.1552 375 ALA A N 2816 C CA . ALA A 375 ? 0.6351 0.4422 0.4167 0.0568 -0.0503 0.1499 375 ALA A CA 2817 C C . ALA A 375 ? 0.6764 0.4919 0.4434 0.0632 -0.0621 0.1520 375 ALA A C 2818 O O . ALA A 375 ? 0.5188 0.3393 0.2736 0.0637 -0.0678 0.1449 375 ALA A O 2819 C CB . ALA A 375 ? 0.5084 0.3127 0.2760 0.0505 -0.0408 0.1522 375 ALA A CB 2820 N N . GLU A 376 ? 0.6888 0.5058 0.4575 0.0679 -0.0665 0.1617 376 GLU A N 2821 C CA . GLU A 376 ? 0.7468 0.5741 0.5058 0.0750 -0.0789 0.1641 376 GLU A CA 2822 C C . GLU A 376 ? 0.6780 0.5131 0.4499 0.0799 -0.0882 0.1557 376 GLU A C 2823 O O . GLU A 376 ? 0.7209 0.5671 0.4832 0.0826 -0.0987 0.1512 376 GLU A O 2824 C CB . GLU A 376 ? 0.8871 0.7128 0.6501 0.0797 -0.0815 0.1766 376 GLU A CB 2825 C CG . GLU A 376 ? 1.0929 0.9279 0.8365 0.0839 -0.0902 0.1828 376 GLU A CG 2826 C CD . GLU A 376 ? 1.2279 1.0617 0.9477 0.0776 -0.0839 0.1851 376 GLU A CD 2827 O OE1 . GLU A 376 ? 1.1396 0.9635 0.8610 0.0710 -0.0725 0.1887 376 GLU A OE1 2828 O OE2 . GLU A 376 ? 1.3684 1.2127 1.0686 0.0793 -0.0907 0.1827 376 GLU A OE2 2829 N N . ALA A 377 ? 0.6692 0.4996 0.4634 0.0804 -0.0844 0.1533 377 ALA A N 2830 C CA . ALA A 377 ? 0.5634 0.4013 0.3734 0.0849 -0.0915 0.1462 377 ALA A CA 2831 C C . ALA A 377 ? 0.5835 0.4283 0.3951 0.0773 -0.0901 0.1336 377 ALA A C 2832 O O . ALA A 377 ? 0.6581 0.5200 0.4810 0.0771 -0.0970 0.1255 377 ALA A O 2833 C CB . ALA A 377 ? 0.5448 0.3764 0.3775 0.0864 -0.0853 0.1463 377 ALA A CB 2834 N N . VAL A 378 ? 0.5553 0.3907 0.3605 0.0696 -0.0796 0.1308 378 VAL A N 2835 C CA . VAL A 378 ? 0.5669 0.4098 0.3759 0.0615 -0.0763 0.1180 378 VAL A CA 2836 C C . VAL A 378 ? 0.5859 0.4401 0.3794 0.0599 -0.0835 0.1134 378 VAL A C 2837 O O . VAL A 378 ? 0.6060 0.4722 0.4074 0.0560 -0.0881 0.1029 378 VAL A O 2838 C CB . VAL A 378 ? 0.5534 0.3847 0.3580 0.0552 -0.0640 0.1165 378 VAL A CB 2839 C CG1 . VAL A 378 ? 0.4906 0.3279 0.3013 0.0483 -0.0611 0.1033 378 VAL A CG1 2840 C CG2 . VAL A 378 ? 0.5947 0.4141 0.4122 0.0565 -0.0576 0.1215 378 VAL A CG2 2841 N N . VAL A 379 ? 0.5856 0.4356 0.3564 0.0624 -0.0846 0.1214 379 VAL A N 2842 C CA . VAL A 379 ? 0.5798 0.4405 0.3327 0.0621 -0.0924 0.1175 379 VAL A CA 2843 C C . VAL A 379 ? 0.5620 0.4395 0.3246 0.0662 -0.1063 0.1150 379 VAL A C 2844 O O . VAL A 379 ? 0.5961 0.4862 0.3596 0.0618 -0.1125 0.1039 379 VAL A O 2845 C CB . VAL A 379 ? 0.5863 0.4409 0.3125 0.0658 -0.0920 0.1290 379 VAL A CB 2846 C CG1 . VAL A 379 ? 0.6553 0.5234 0.3635 0.0675 -0.1031 0.1255 379 VAL A CG1 2847 C CG2 . VAL A 379 ? 0.5765 0.4196 0.2912 0.0604 -0.0783 0.1296 379 VAL A CG2 2848 N N . LEU A 380 ? 0.6107 0.4884 0.3812 0.0747 -0.1114 0.1249 380 LEU A N 2849 C CA . LEU A 380 ? 0.6461 0.5422 0.4259 0.0805 -0.1251 0.1239 380 LEU A CA 2850 C C . LEU A 380 ? 0.6011 0.5118 0.4028 0.0739 -0.1271 0.1100 380 LEU A C 2851 O O . LEU A 380 ? 0.5105 0.4386 0.3125 0.0714 -0.1369 0.1024 380 LEU A O 2852 C CB . LEU A 380 ? 0.5295 0.4217 0.3201 0.0913 -0.1282 0.1352 380 LEU A CB 2853 C CG . LEU A 380 ? 0.5278 0.4424 0.3356 0.0976 -0.1411 0.1323 380 LEU A CG 2854 C CD1 . LEU A 380 ? 0.5495 0.4793 0.3406 0.1001 -0.1540 0.1327 380 LEU A CD1 2855 C CD2 . LEU A 380 ? 0.5301 0.4398 0.3505 0.1094 -0.1430 0.1420 380 LEU A CD2 2856 N N . HIS A 381 ? 0.6492 0.5525 0.4685 0.0701 -0.1174 0.1067 381 HIS A N 2857 C CA . HIS A 381 ? 0.6154 0.5313 0.4574 0.0642 -0.1178 0.0957 381 HIS A CA 2858 C C . HIS A 381 ? 0.5437 0.4610 0.3796 0.0531 -0.1162 0.0838 381 HIS A C 2859 O O . HIS A 381 ? 0.4889 0.4214 0.3363 0.0477 -0.1224 0.0748 381 HIS A O 2860 C CB . HIS A 381 ? 0.5094 0.4164 0.3698 0.0643 -0.1078 0.0965 381 HIS A CB 2861 C CG . HIS A 381 ? 0.6109 0.5306 0.4934 0.0582 -0.1070 0.0867 381 HIS A CG 2862 N ND1 . HIS A 381 ? 0.6495 0.5887 0.5522 0.0619 -0.1139 0.0856 381 HIS A ND1 2863 C CD2 . HIS A 381 ? 0.6207 0.5370 0.5081 0.0484 -0.1001 0.0782 381 HIS A CD2 2864 C CE1 . HIS A 381 ? 0.6885 0.6360 0.6074 0.0538 -0.1106 0.0771 381 HIS A CE1 2865 N NE2 . HIS A 381 ? 0.3994 0.3320 0.3088 0.0456 -0.1025 0.0729 381 HIS A NE2 2866 N N . TYR A 382 ? 0.4790 0.3803 0.2973 0.0498 -0.1077 0.0836 382 TYR A N 2867 C CA . TYR A 382 ? 0.5131 0.4116 0.3255 0.0406 -0.1044 0.0721 382 TYR A CA 2868 C C . TYR A 382 ? 0.5952 0.4981 0.3849 0.0393 -0.1117 0.0678 382 TYR A C 2869 O O . TYR A 382 ? 0.6690 0.5659 0.4481 0.0333 -0.1084 0.0586 382 TYR A O 2870 C CB . TYR A 382 ? 0.5232 0.4039 0.3317 0.0381 -0.0907 0.0726 382 TYR A CB 2871 C CG . TYR A 382 ? 0.4677 0.3454 0.2988 0.0357 -0.0839 0.0709 382 TYR A CG 2872 C CD1 . TYR A 382 ? 0.4580 0.3317 0.2999 0.0412 -0.0801 0.0794 382 TYR A CD1 2873 C CD2 . TYR A 382 ? 0.5789 0.4569 0.4193 0.0280 -0.0816 0.0608 382 TYR A CD2 2874 C CE1 . TYR A 382 ? 0.4981 0.3703 0.3589 0.0393 -0.0742 0.0772 382 TYR A CE1 2875 C CE2 . TYR A 382 ? 0.7142 0.5901 0.5733 0.0260 -0.0754 0.0600 382 TYR A CE2 2876 C CZ . TYR A 382 ? 0.6703 0.5442 0.5391 0.0318 -0.0717 0.0680 382 TYR A CZ 2877 O OH . TYR A 382 ? 0.7161 0.5888 0.6018 0.0302 -0.0656 0.0666 382 TYR A OH 2878 N N . THR A 383 ? 0.5036 0.4168 0.2850 0.0458 -0.1219 0.0741 383 THR A N 2879 C CA . THR A 383 ? 0.5270 0.4468 0.2863 0.0451 -0.1303 0.0695 383 THR A CA 2880 C C . THR A 383 ? 0.8234 0.7642 0.5950 0.0427 -0.1443 0.0620 383 THR A C 2881 O O . THR A 383 ? 0.5241 0.4780 0.3120 0.0482 -0.1511 0.0678 383 THR A O 2882 C CB . THR A 383 ? 0.6342 0.5513 0.3709 0.0541 -0.1325 0.0825 383 THR A CB 2883 O OG1 . THR A 383 ? 0.5905 0.4891 0.3194 0.0552 -0.1188 0.0904 383 THR A OG1 2884 C CG2 . THR A 383 ? 0.5755 0.4995 0.2850 0.0535 -0.1406 0.0773 383 THR A CG2 2885 N N . ASP A 384 ? 0.5374 0.4817 0.3026 0.0344 -0.1484 0.0485 384 ASP A N 2886 C CA . ASP A 384 ? 0.5481 0.5137 0.3177 0.0318 -0.1637 0.0413 384 ASP A CA 2887 C C . ASP A 384 ? 0.6481 0.6204 0.3924 0.0402 -0.1730 0.0479 384 ASP A C 2888 O O . ASP A 384 ? 0.6419 0.6054 0.3584 0.0401 -0.1711 0.0455 384 ASP A O 2889 C CB . ASP A 384 ? 0.8093 0.7743 0.5775 0.0198 -0.1661 0.0243 384 ASP A CB 2890 C CG . ASP A 384 ? 0.8371 0.8260 0.6179 0.0146 -0.1818 0.0162 384 ASP A CG 2891 O OD1 . ASP A 384 ? 0.5663 0.5735 0.3498 0.0223 -0.1922 0.0235 384 ASP A OD1 2892 O OD2 . ASP A 384 ? 0.9037 0.8932 0.6923 0.0030 -0.1839 0.0027 384 ASP A OD2 2893 N N . TRP A 385 ? 0.6158 0.6043 0.3693 0.0482 -0.1830 0.0565 385 TRP A N 2894 C CA . TRP A 385 ? 0.6788 0.6730 0.4093 0.0580 -0.1918 0.0659 385 TRP A CA 2895 C C . TRP A 385 ? 0.6932 0.7067 0.4128 0.0546 -0.2075 0.0551 385 TRP A C 2896 O O . TRP A 385 ? 0.6475 0.6696 0.3467 0.0625 -0.2175 0.0614 385 TRP A O 2897 C CB . TRP A 385 ? 0.5975 0.5975 0.3416 0.0698 -0.1951 0.0808 385 TRP A CB 2898 C CG . TRP A 385 ? 0.5853 0.5627 0.3310 0.0735 -0.1802 0.0916 385 TRP A CG 2899 C CD1 . TRP A 385 ? 0.7547 0.7271 0.5265 0.0732 -0.1722 0.0931 385 TRP A CD1 2900 C CD2 . TRP A 385 ? 0.6436 0.6008 0.3638 0.0769 -0.1711 0.1016 385 TRP A CD2 2901 N NE1 . TRP A 385 ? 0.7824 0.7323 0.5466 0.0763 -0.1596 0.1030 385 TRP A NE1 2902 C CE2 . TRP A 385 ? 0.7427 0.6833 0.4763 0.0782 -0.1585 0.1088 385 TRP A CE2 2903 C CE3 . TRP A 385 ? 0.6258 0.5785 0.3127 0.0788 -0.1722 0.1053 385 TRP A CE3 2904 C CZ2 . TRP A 385 ? 0.8263 0.7463 0.5431 0.0803 -0.1473 0.1194 385 TRP A CZ2 2905 C CZ3 . TRP A 385 ? 0.7140 0.6469 0.3839 0.0813 -0.1602 0.1167 385 TRP A CZ3 2906 C CH2 . TRP A 385 ? 0.8264 0.7432 0.5120 0.0815 -0.1480 0.1237 385 TRP A CH2 2907 N N . LEU A 386 ? 0.7010 0.7201 0.4333 0.0424 -0.2096 0.0389 386 LEU A N 2908 C CA . LEU A 386 ? 0.7642 0.7988 0.4862 0.0363 -0.2237 0.0254 386 LEU A CA 2909 C C . LEU A 386 ? 0.8449 0.8611 0.5390 0.0305 -0.2172 0.0151 386 LEU A C 2910 O O . LEU A 386 ? 0.9268 0.9501 0.5986 0.0290 -0.2272 0.0063 386 LEU A O 2911 C CB . LEU A 386 ? 0.7152 0.7671 0.4689 0.0254 -0.2306 0.0136 386 LEU A CB 2912 C CG . LEU A 386 ? 0.7397 0.8150 0.4921 0.0190 -0.2488 0.0006 386 LEU A CG 2913 C CD1 . LEU A 386 ? 0.7649 0.8593 0.5025 0.0315 -0.2631 0.0098 386 LEU A CD1 2914 C CD2 . LEU A 386 ? 0.6250 0.7190 0.4147 0.0085 -0.2536 -0.0072 386 LEU A CD2 2915 N N . HIS A 387 ? 0.8147 0.8080 0.5099 0.0281 -0.2004 0.0160 387 HIS A N 2916 C CA . HIS A 387 ? 0.8231 0.7977 0.4931 0.0249 -0.1915 0.0078 387 HIS A CA 2917 C C . HIS A 387 ? 0.7715 0.7268 0.4331 0.0311 -0.1747 0.0202 387 HIS A C 2918 O O . HIS A 387 ? 0.7506 0.6901 0.4203 0.0265 -0.1621 0.0163 387 HIS A O 2919 C CB . HIS A 387 ? 0.8058 0.7723 0.4889 0.0121 -0.1887 -0.0094 387 HIS A CB 2920 C CG . HIS A 387 ? 0.7722 0.7572 0.4706 0.0033 -0.2040 -0.0213 387 HIS A CG 2921 N ND1 . HIS A 387 ? 0.6908 0.6902 0.4227 -0.0004 -0.2079 -0.0186 387 HIS A ND1 2922 C CD2 . HIS A 387 ? 0.7857 0.7784 0.4711 -0.0030 -0.2163 -0.0363 387 HIS A CD2 2923 C CE1 . HIS A 387 ? 0.6777 0.6940 0.4180 -0.0093 -0.2218 -0.0309 387 HIS A CE1 2924 N NE2 . HIS A 387 ? 0.7328 0.7447 0.4452 -0.0113 -0.2276 -0.0421 387 HIS A NE2 2925 N N . PRO A 388 ? 0.6526 0.6092 0.2980 0.0414 -0.1746 0.0356 388 PRO A N 2926 C CA . PRO A 388 ? 0.8498 0.7896 0.4905 0.0463 -0.1593 0.0489 388 PRO A CA 2927 C C . PRO A 388 ? 0.8322 0.7573 0.4508 0.0439 -0.1473 0.0428 388 PRO A C 2928 O O . PRO A 388 ? 0.8040 0.7152 0.4252 0.0447 -0.1329 0.0493 388 PRO A O 2929 C CB . PRO A 388 ? 0.6626 0.6082 0.2870 0.0569 -0.1649 0.0657 388 PRO A CB 2930 C CG . PRO A 388 ? 0.6703 0.6374 0.3022 0.0587 -0.1831 0.0628 388 PRO A CG 2931 C CD . PRO A 388 ? 0.6746 0.6483 0.3066 0.0487 -0.1892 0.0424 388 PRO A CD 2932 N N . GLU A 389 ? 0.8175 0.7467 0.4146 0.0413 -0.1533 0.0297 389 GLU A N 2933 C CA . GLU A 389 ? 0.7501 0.6679 0.3222 0.0413 -0.1425 0.0239 389 GLU A CA 2934 C C . GLU A 389 ? 0.7231 0.6307 0.3042 0.0332 -0.1378 0.0059 389 GLU A C 2935 O O . GLU A 389 ? 0.6910 0.5873 0.2580 0.0337 -0.1265 0.0007 389 GLU A O 2936 C CB . GLU A 389 ? 0.8213 0.7484 0.3583 0.0454 -0.1509 0.0213 389 GLU A CB 2937 C CG . GLU A 389 ? 0.9624 0.9000 0.4871 0.0540 -0.1582 0.0394 389 GLU A CG 2938 C CD . GLU A 389 ? 1.0714 0.9985 0.5855 0.0599 -0.1440 0.0580 389 GLU A CD 2939 O OE1 . GLU A 389 ? 1.1165 1.0335 0.6178 0.0587 -0.1300 0.0552 389 GLU A OE1 2940 O OE2 . GLU A 389 ? 1.0607 0.9898 0.5800 0.0656 -0.1469 0.0753 389 GLU A OE2 2941 N N . ASP A 390 ? 0.7731 0.6849 0.3782 0.0261 -0.1461 -0.0032 390 ASP A N 2942 C CA . ASP A 390 ? 0.8275 0.7286 0.4408 0.0175 -0.1439 -0.0207 390 ASP A CA 2943 C C . ASP A 390 ? 0.8675 0.7505 0.4898 0.0175 -0.1269 -0.0189 390 ASP A C 2944 O O . ASP A 390 ? 0.9078 0.7886 0.5539 0.0172 -0.1213 -0.0095 390 ASP A O 2945 C CB . ASP A 390 ? 0.8411 0.7512 0.4820 0.0090 -0.1550 -0.0271 390 ASP A CB 2946 C CG . ASP A 390 ? 0.8872 0.7850 0.5349 -0.0012 -0.1546 -0.0453 390 ASP A CG 2947 O OD1 . ASP A 390 ? 0.8871 0.7666 0.5252 -0.0006 -0.1432 -0.0511 390 ASP A OD1 2948 O OD2 . ASP A 390 ? 0.8663 0.7728 0.5299 -0.0099 -0.1657 -0.0536 390 ASP A OD2 2949 N N . PRO A 391 ? 0.8557 0.7267 0.4590 0.0184 -0.1189 -0.0287 391 PRO A N 2950 C CA . PRO A 391 ? 0.8845 0.7408 0.4928 0.0205 -0.1025 -0.0264 391 PRO A CA 2951 C C . PRO A 391 ? 0.8125 0.6581 0.4488 0.0142 -0.0990 -0.0310 391 PRO A C 2952 O O . PRO A 391 ? 0.7550 0.5946 0.4049 0.0162 -0.0881 -0.0222 391 PRO A O 2953 C CB . PRO A 391 ? 0.6774 0.5265 0.2575 0.0233 -0.0978 -0.0389 391 PRO A CB 2954 C CG . PRO A 391 ? 0.7042 0.5668 0.2594 0.0260 -0.1085 -0.0392 391 PRO A CG 2955 C CD . PRO A 391 ? 0.8759 0.7489 0.4481 0.0199 -0.1242 -0.0405 391 PRO A CD 2956 N N . ALA A 392 ? 0.8265 0.6698 0.4710 0.0062 -0.1081 -0.0442 392 ALA A N 2957 C CA . ALA A 392 ? 0.7794 0.6125 0.4498 -0.0005 -0.1050 -0.0473 392 ALA A CA 2958 C C . ALA A 392 ? 0.7547 0.5984 0.4509 -0.0016 -0.1062 -0.0337 392 ALA A C 2959 O O . ALA A 392 ? 0.7678 0.6042 0.4829 -0.0027 -0.0982 -0.0290 392 ALA A O 2960 C CB . ALA A 392 ? 0.8516 0.6795 0.5245 -0.0102 -0.1148 -0.0640 392 ALA A CB 2961 N N . ARG A 393 ? 0.7852 0.6467 0.4815 -0.0004 -0.1165 -0.0276 393 ARG A N 2962 C CA . ARG A 393 ? 0.5654 0.4383 0.2856 0.0000 -0.1184 -0.0155 393 ARG A CA 2963 C C . ARG A 393 ? 0.6937 0.5626 0.4141 0.0083 -0.1072 -0.0006 393 ARG A C 2964 O O . ARG A 393 ? 0.6403 0.5105 0.3820 0.0086 -0.1035 0.0076 393 ARG A O 2965 C CB . ARG A 393 ? 0.5743 0.4682 0.2953 0.0003 -0.1333 -0.0135 393 ARG A CB 2966 C CG . ARG A 393 ? 0.5836 0.4861 0.3139 -0.0099 -0.1458 -0.0270 393 ARG A CG 2967 C CD . ARG A 393 ? 0.9491 0.8766 0.6863 -0.0083 -0.1601 -0.0222 393 ARG A CD 2968 N NE . ARG A 393 ? 0.9355 0.8746 0.6704 -0.0165 -0.1746 -0.0361 393 ARG A NE 2969 C CZ . ARG A 393 ? 0.9817 0.9371 0.7412 -0.0246 -0.1839 -0.0398 393 ARG A CZ 2970 N NH1 . ARG A 393 ? 1.0967 1.0589 0.8842 -0.0248 -0.1795 -0.0308 393 ARG A NH1 2971 N NH2 . ARG A 393 ? 0.9329 0.8990 0.6896 -0.0329 -0.1974 -0.0531 393 ARG A NH2 2972 N N . LEU A 394 ? 0.7887 0.6530 0.4855 0.0144 -0.1015 0.0024 394 LEU A N 2973 C CA . LEU A 394 ? 0.8488 0.7094 0.5453 0.0208 -0.0910 0.0167 394 LEU A CA 2974 C C . LEU A 394 ? 0.8741 0.7209 0.5803 0.0196 -0.0779 0.0149 394 LEU A C 2975 O O . LEU A 394 ? 0.8605 0.7045 0.5772 0.0223 -0.0699 0.0254 394 LEU A O 2976 C CB . LEU A 394 ? 0.7426 0.6050 0.4106 0.0270 -0.0890 0.0220 394 LEU A CB 2977 C CG . LEU A 394 ? 0.7092 0.5853 0.3651 0.0303 -0.1015 0.0273 394 LEU A CG 2978 C CD1 . LEU A 394 ? 0.7262 0.6021 0.3513 0.0354 -0.0978 0.0310 394 LEU A CD1 2979 C CD2 . LEU A 394 ? 0.5777 0.4595 0.2508 0.0338 -0.1042 0.0420 394 LEU A CD2 2980 N N . ARG A 395 ? 0.8219 0.6597 0.5240 0.0158 -0.0764 0.0013 395 ARG A N 2981 C CA . ARG A 395 ? 0.7254 0.5499 0.4360 0.0154 -0.0652 -0.0018 395 ARG A CA 2982 C C . ARG A 395 ? 0.6794 0.5029 0.4178 0.0111 -0.0651 0.0015 395 ARG A C 2983 O O . ARG A 395 ? 0.7099 0.5308 0.4599 0.0135 -0.0569 0.0099 395 ARG A O 2984 C CB . ARG A 395 ? 0.7379 0.5517 0.4362 0.0131 -0.0654 -0.0178 395 ARG A CB 2985 C CG . ARG A 395 ? 0.5462 0.3462 0.2478 0.0152 -0.0539 -0.0213 395 ARG A CG 2986 C CD . ARG A 395 ? 0.6686 0.4559 0.3778 0.0091 -0.0573 -0.0339 395 ARG A CD 2987 N NE . ARG A 395 ? 0.7244 0.5050 0.4136 0.0083 -0.0620 -0.0489 395 ARG A NE 2988 C CZ . ARG A 395 ? 0.7629 0.5407 0.4531 0.0005 -0.0727 -0.0594 395 ARG A CZ 2989 N NH1 . ARG A 395 ? 0.5787 0.3621 0.2902 -0.0072 -0.0792 -0.0555 395 ARG A NH1 2990 N NH2 . ARG A 395 ? 0.7732 0.5434 0.4436 0.0001 -0.0769 -0.0742 395 ARG A NH2 2991 N N . GLU A 396 ? 0.6491 0.4759 0.3980 0.0043 -0.0744 -0.0052 396 GLU A N 2992 C CA . GLU A 396 ? 0.6810 0.5109 0.4557 -0.0001 -0.0752 -0.0013 396 GLU A CA 2993 C C . GLU A 396 ? 0.7306 0.5711 0.5166 0.0046 -0.0744 0.0125 396 GLU A C 2994 O O . GLU A 396 ? 0.8294 0.6697 0.6346 0.0037 -0.0704 0.0172 396 GLU A O 2995 C CB . GLU A 396 ? 0.7428 0.5800 0.5262 -0.0086 -0.0866 -0.0094 396 GLU A CB 2996 C CG . GLU A 396 ? 0.8273 0.6504 0.6160 -0.0164 -0.0851 -0.0202 396 GLU A CG 2997 C CD . GLU A 396 ? 0.9263 0.7350 0.6925 -0.0150 -0.0833 -0.0312 396 GLU A CD 2998 O OE1 . GLU A 396 ? 0.9970 0.8096 0.7499 -0.0177 -0.0925 -0.0401 396 GLU A OE1 2999 O OE2 . GLU A 396 ? 0.9128 0.7074 0.6745 -0.0107 -0.0730 -0.0313 396 GLU A OE2 3000 N N . ALA A 397 ? 0.5961 0.4451 0.3696 0.0100 -0.0785 0.0189 397 ALA A N 3001 C CA . ALA A 397 ? 0.4999 0.3566 0.2832 0.0150 -0.0788 0.0318 397 ALA A CA 3002 C C . ALA A 397 ? 0.5949 0.4420 0.3808 0.0190 -0.0668 0.0400 397 ALA A C 3003 O O . ALA A 397 ? 0.5672 0.4148 0.3709 0.0198 -0.0639 0.0456 397 ALA A O 3004 C CB . ALA A 397 ? 0.4860 0.3525 0.2543 0.0199 -0.0870 0.0372 397 ALA A CB 3005 N N . LEU A 398 ? 0.6960 0.5354 0.4643 0.0214 -0.0597 0.0400 398 LEU A N 3006 C CA . LEU A 398 ? 0.5832 0.4154 0.3539 0.0242 -0.0485 0.0472 398 LEU A CA 3007 C C . LEU A 398 ? 0.6673 0.4926 0.4543 0.0212 -0.0422 0.0424 398 LEU A C 3008 O O . LEU A 398 ? 0.8571 0.6789 0.6536 0.0228 -0.0349 0.0482 398 LEU A O 3009 C CB . LEU A 398 ? 0.5002 0.3291 0.2492 0.0269 -0.0420 0.0476 398 LEU A CB 3010 C CG . LEU A 398 ? 0.5942 0.4196 0.3453 0.0295 -0.0319 0.0580 398 LEU A CG 3011 C CD1 . LEU A 398 ? 0.4632 0.2915 0.2188 0.0319 -0.0359 0.0706 398 LEU A CD1 3012 C CD2 . LEU A 398 ? 0.6658 0.4904 0.3968 0.0314 -0.0242 0.0581 398 LEU A CD2 3013 N N . SER A 399 ? 0.5161 0.3386 0.3056 0.0167 -0.0453 0.0318 399 SER A N 3014 C CA . SER A 399 ? 0.5194 0.3345 0.3233 0.0138 -0.0405 0.0279 399 SER A CA 3015 C C . SER A 399 ? 0.5982 0.4195 0.4235 0.0116 -0.0432 0.0325 399 SER A C 3016 O O . SER A 399 ? 0.6362 0.4537 0.4739 0.0117 -0.0372 0.0350 399 SER A O 3017 C CB . SER A 399 ? 0.5296 0.3370 0.3278 0.0093 -0.0429 0.0156 399 SER A CB 3018 O OG . SER A 399 ? 0.6071 0.4064 0.4193 0.0059 -0.0395 0.0127 399 SER A OG 3019 N N . ASP A 400 ? 0.5822 0.4146 0.4118 0.0102 -0.0523 0.0335 400 ASP A N 3020 C CA . ASP A 400 ? 0.5442 0.3853 0.3939 0.0096 -0.0544 0.0381 400 ASP A CA 3021 C C . ASP A 400 ? 0.5724 0.4142 0.4250 0.0162 -0.0505 0.0484 400 ASP A C 3022 O O . ASP A 400 ? 0.7117 0.5550 0.5795 0.0171 -0.0474 0.0518 400 ASP A O 3023 C CB . ASP A 400 ? 0.5239 0.3794 0.3794 0.0069 -0.0655 0.0359 400 ASP A CB 3024 C CG . ASP A 400 ? 0.6974 0.5523 0.5569 -0.0021 -0.0692 0.0257 400 ASP A CG 3025 O OD1 . ASP A 400 ? 0.7131 0.5583 0.5794 -0.0062 -0.0631 0.0227 400 ASP A OD1 3026 O OD2 . ASP A 400 ? 0.7831 0.6472 0.6389 -0.0053 -0.0788 0.0208 400 ASP A OD2 3027 N N . VAL A 401 ? 0.5416 0.3817 0.3790 0.0206 -0.0504 0.0533 401 VAL A N 3028 C CA . VAL A 401 ? 0.5337 0.3714 0.3726 0.0259 -0.0465 0.0634 401 VAL A CA 3029 C C . VAL A 401 ? 0.5658 0.3949 0.4119 0.0253 -0.0366 0.0639 401 VAL A C 3030 O O . VAL A 401 ? 0.5663 0.3954 0.4258 0.0270 -0.0344 0.0678 401 VAL A O 3031 C CB . VAL A 401 ? 0.4463 0.2819 0.2653 0.0294 -0.0467 0.0692 401 VAL A CB 3032 C CG1 . VAL A 401 ? 0.4092 0.2376 0.2288 0.0323 -0.0397 0.0785 401 VAL A CG1 3033 C CG2 . VAL A 401 ? 0.4665 0.3114 0.2803 0.0322 -0.0573 0.0723 401 VAL A CG2 3034 N N . VAL A 402 ? 0.4607 0.2835 0.2980 0.0235 -0.0309 0.0591 402 VAL A N 3035 C CA . VAL A 402 ? 0.5127 0.3292 0.3562 0.0235 -0.0220 0.0593 402 VAL A CA 3036 C C . VAL A 402 ? 0.5499 0.3667 0.4100 0.0212 -0.0218 0.0560 402 VAL A C 3037 O O . VAL A 402 ? 0.5954 0.4110 0.4657 0.0224 -0.0175 0.0592 402 VAL A O 3038 C CB . VAL A 402 ? 0.5830 0.3943 0.4138 0.0234 -0.0163 0.0544 402 VAL A CB 3039 C CG1 . VAL A 402 ? 0.3707 0.1775 0.2103 0.0236 -0.0086 0.0528 402 VAL A CG1 3040 C CG2 . VAL A 402 ? 0.5452 0.3576 0.3610 0.0258 -0.0140 0.0599 402 VAL A CG2 3041 N N . GLY A 403 ? 0.5519 0.3704 0.4141 0.0175 -0.0264 0.0497 403 GLY A N 3042 C CA . GLY A 403 ? 0.4116 0.2312 0.2887 0.0143 -0.0261 0.0474 403 GLY A CA 3043 C C . GLY A 403 ? 0.4536 0.2821 0.3446 0.0161 -0.0282 0.0526 403 GLY A C 3044 O O . GLY A 403 ? 0.5891 0.4168 0.4899 0.0172 -0.0237 0.0545 403 GLY A O 3045 N N . ASP A 404 ? 0.4104 0.2479 0.3019 0.0174 -0.0353 0.0547 404 ASP A N 3046 C CA . ASP A 404 ? 0.5328 0.3796 0.4380 0.0206 -0.0378 0.0589 404 ASP A CA 3047 C C . ASP A 404 ? 0.5852 0.4266 0.4926 0.0260 -0.0328 0.0648 404 ASP A C 3048 O O . ASP A 404 ? 0.4841 0.3292 0.4041 0.0281 -0.0313 0.0660 404 ASP A O 3049 C CB . ASP A 404 ? 0.5554 0.4133 0.4597 0.0226 -0.0471 0.0604 404 ASP A CB 3050 C CG . ASP A 404 ? 0.5716 0.4374 0.4770 0.0161 -0.0532 0.0537 404 ASP A CG 3051 O OD1 . ASP A 404 ? 0.5628 0.4238 0.4702 0.0098 -0.0501 0.0481 404 ASP A OD1 3052 O OD2 . ASP A 404 ? 0.5234 0.3999 0.4274 0.0173 -0.0618 0.0540 404 ASP A OD2 3053 N N . HIS A 405 ? 0.6361 0.4691 0.5312 0.0279 -0.0302 0.0682 405 HIS A N 3054 C CA . HIS A 405 ? 0.5366 0.3634 0.4333 0.0316 -0.0262 0.0739 405 HIS A CA 3055 C C . HIS A 405 ? 0.5571 0.3793 0.4603 0.0301 -0.0190 0.0715 405 HIS A C 3056 O O . HIS A 405 ? 0.6728 0.4934 0.5842 0.0325 -0.0170 0.0735 405 HIS A O 3057 C CB . HIS A 405 ? 0.4656 0.2859 0.3470 0.0326 -0.0250 0.0788 405 HIS A CB 3058 C CG . HIS A 405 ? 0.4270 0.2391 0.3094 0.0342 -0.0201 0.0846 405 HIS A CG 3059 N ND1 . HIS A 405 ? 0.4243 0.2337 0.3131 0.0383 -0.0225 0.0897 405 HIS A ND1 3060 C CD2 . HIS A 405 ? 0.3486 0.1548 0.2269 0.0319 -0.0131 0.0857 405 HIS A CD2 3061 C CE1 . HIS A 405 ? 0.4420 0.2461 0.3330 0.0369 -0.0172 0.0926 405 HIS A CE1 3062 N NE2 . HIS A 405 ? 0.4583 0.2608 0.3429 0.0329 -0.0116 0.0906 405 HIS A NE2 3063 N N . ASN A 406 ? 0.4735 0.2932 0.3724 0.0266 -0.0156 0.0669 406 ASN A N 3064 C CA . ASN A 406 ? 0.4516 0.2672 0.3543 0.0259 -0.0092 0.0652 406 ASN A CA 3065 C C . ASN A 406 ? 0.5558 0.3744 0.4685 0.0243 -0.0085 0.0616 406 ASN A C 3066 O O . ASN A 406 ? 0.5786 0.3961 0.4973 0.0251 -0.0046 0.0614 406 ASN A O 3067 C CB . ASN A 406 ? 0.4045 0.2154 0.2964 0.0247 -0.0053 0.0629 406 ASN A CB 3068 C CG . ASN A 406 ? 0.6274 0.4361 0.5109 0.0259 -0.0027 0.0676 406 ASN A CG 3069 O OD1 . ASN A 406 ? 0.6317 0.4390 0.5201 0.0265 0.0005 0.0712 406 ASN A OD1 3070 N ND2 . ASN A 406 ? 0.7511 0.5598 0.6216 0.0257 -0.0040 0.0675 406 ASN A ND2 3071 N N . VAL A 407 ? 0.5331 0.3559 0.4474 0.0214 -0.0125 0.0588 407 VAL A N 3072 C CA . VAL A 407 ? 0.4783 0.3028 0.4005 0.0184 -0.0111 0.0561 407 VAL A CA 3073 C C . VAL A 407 ? 0.5105 0.3461 0.4436 0.0168 -0.0151 0.0562 407 VAL A C 3074 O O . VAL A 407 ? 0.7316 0.5728 0.6744 0.0184 -0.0130 0.0575 407 VAL A O 3075 C CB . VAL A 407 ? 0.4321 0.2490 0.3472 0.0145 -0.0102 0.0517 407 VAL A CB 3076 C CG1 . VAL A 407 ? 0.3760 0.1933 0.2990 0.0105 -0.0090 0.0505 407 VAL A CG1 3077 C CG2 . VAL A 407 ? 0.3762 0.1844 0.2829 0.0173 -0.0051 0.0512 407 VAL A CG2 3078 N N . VAL A 408 ? 0.3480 0.1884 0.2795 0.0138 -0.0209 0.0544 408 VAL A N 3079 C CA . VAL A 408 ? 0.3622 0.2158 0.3058 0.0109 -0.0246 0.0537 408 VAL A CA 3080 C C . VAL A 408 ? 0.3927 0.2572 0.3466 0.0169 -0.0258 0.0571 408 VAL A C 3081 O O . VAL A 408 ? 0.4342 0.3098 0.4007 0.0162 -0.0249 0.0570 408 VAL A O 3082 C CB . VAL A 408 ? 0.3165 0.1747 0.2567 0.0065 -0.0318 0.0504 408 VAL A CB 3083 C CG1 . VAL A 408 ? 0.3145 0.1890 0.2697 0.0027 -0.0356 0.0496 408 VAL A CG1 3084 C CG2 . VAL A 408 ? 0.3252 0.1709 0.2556 0.0009 -0.0305 0.0456 408 VAL A CG2 3085 N N . CYS A 409 ? 0.4506 0.3117 0.3991 0.0230 -0.0273 0.0603 409 CYS A N 3086 C CA . CYS A 409 ? 0.5747 0.4437 0.5324 0.0296 -0.0289 0.0631 409 CYS A CA 3087 C C . CYS A 409 ? 0.5255 0.3903 0.4879 0.0334 -0.0229 0.0638 409 CYS A C 3088 O O . CYS A 409 ? 0.5636 0.4378 0.5370 0.0375 -0.0229 0.0637 409 CYS A O 3089 C CB . CYS A 409 ? 0.7190 0.5869 0.6702 0.0349 -0.0348 0.0669 409 CYS A CB 3090 S SG . CYS A 409 ? 0.4377 0.3181 0.3878 0.0314 -0.0438 0.0650 409 CYS A SG 3091 N N . PRO A 410 ? 0.5411 0.3933 0.4957 0.0325 -0.0180 0.0639 410 PRO A N 3092 C CA . PRO A 410 ? 0.6166 0.4668 0.5761 0.0349 -0.0129 0.0631 410 PRO A CA 3093 C C . PRO A 410 ? 0.5617 0.4211 0.5295 0.0322 -0.0098 0.0607 410 PRO A C 3094 O O . PRO A 410 ? 0.4858 0.3520 0.4615 0.0360 -0.0081 0.0600 410 PRO A O 3095 C CB . PRO A 410 ? 0.6439 0.4819 0.5939 0.0329 -0.0090 0.0633 410 PRO A CB 3096 C CG . PRO A 410 ? 0.2915 0.1243 0.2321 0.0326 -0.0120 0.0657 410 PRO A CG 3097 C CD . PRO A 410 ? 0.5441 0.3851 0.4856 0.0307 -0.0172 0.0649 410 PRO A CD 3098 N N . VAL A 411 ? 0.5436 0.4022 0.5087 0.0258 -0.0091 0.0596 411 VAL A N 3099 C CA . VAL A 411 ? 0.4772 0.3430 0.4490 0.0216 -0.0061 0.0587 411 VAL A CA 3100 C C . VAL A 411 ? 0.3775 0.2606 0.3621 0.0219 -0.0082 0.0586 411 VAL A C 3101 O O . VAL A 411 ? 0.2973 0.1896 0.2896 0.0228 -0.0042 0.0586 411 VAL A O 3102 C CB . VAL A 411 ? 0.2800 0.1386 0.2460 0.0142 -0.0061 0.0577 411 VAL A CB 3103 C CG1 . VAL A 411 ? 0.2811 0.1486 0.2556 0.0080 -0.0049 0.0577 411 VAL A CG1 3104 C CG2 . VAL A 411 ? 0.2801 0.1253 0.2371 0.0149 -0.0018 0.0577 411 VAL A CG2 3105 N N . ALA A 412 ? 0.3599 0.2493 0.3467 0.0216 -0.0144 0.0585 412 ALA A N 3106 C CA . ALA A 412 ? 0.4377 0.3465 0.4384 0.0226 -0.0173 0.0583 412 ALA A CA 3107 C C . ALA A 412 ? 0.5185 0.4345 0.5265 0.0322 -0.0157 0.0587 412 ALA A C 3108 O O . ALA A 412 ? 0.5638 0.4969 0.5845 0.0335 -0.0140 0.0579 412 ALA A O 3109 C CB . ALA A 412 ? 0.4634 0.3776 0.4638 0.0216 -0.0255 0.0580 412 ALA A CB 3110 N N . GLN A 413 ? 0.4707 0.3738 0.4711 0.0388 -0.0159 0.0596 413 GLN A N 3111 C CA . GLN A 413 ? 0.4051 0.3109 0.4111 0.0483 -0.0151 0.0592 413 GLN A CA 3112 C C . GLN A 413 ? 0.4721 0.3804 0.4808 0.0486 -0.0080 0.0568 413 GLN A C 3113 O O . GLN A 413 ? 0.4236 0.3450 0.4421 0.0539 -0.0060 0.0550 413 GLN A O 3114 C CB . GLN A 413 ? 0.3200 0.2081 0.3163 0.0533 -0.0169 0.0610 413 GLN A CB 3115 C CG . GLN A 413 ? 0.4379 0.3258 0.4396 0.0635 -0.0177 0.0603 413 GLN A CG 3116 C CD . GLN A 413 ? 0.6873 0.5549 0.6795 0.0662 -0.0178 0.0620 413 GLN A CD 3117 O OE1 . GLN A 413 ? 0.6610 0.5180 0.6458 0.0613 -0.0142 0.0614 413 GLN A OE1 3118 N NE2 . GLN A 413 ? 0.8481 0.7104 0.8410 0.0740 -0.0222 0.0643 413 GLN A NE2 3119 N N . LEU A 414 ? 0.5200 0.4164 0.5195 0.0436 -0.0042 0.0569 414 LEU A N 3120 C CA . LEU A 414 ? 0.4443 0.3417 0.4431 0.0429 0.0021 0.0554 414 LEU A CA 3121 C C . LEU A 414 ? 0.4849 0.4003 0.4935 0.0397 0.0053 0.0556 414 LEU A C 3122 O O . LEU A 414 ? 0.4916 0.4182 0.5064 0.0446 0.0089 0.0537 414 LEU A O 3123 C CB . LEU A 414 ? 0.4460 0.3298 0.4341 0.0372 0.0042 0.0565 414 LEU A CB 3124 C CG . LEU A 414 ? 0.4230 0.3072 0.4084 0.0359 0.0100 0.0562 414 LEU A CG 3125 C CD1 . LEU A 414 ? 0.4833 0.3690 0.4692 0.0431 0.0121 0.0531 414 LEU A CD1 3126 C CD2 . LEU A 414 ? 0.3179 0.1886 0.2932 0.0322 0.0110 0.0574 414 LEU A CD2 3127 N N . ALA A 415 ? 0.4713 0.3895 0.4812 0.0312 0.0042 0.0575 415 ALA A N 3128 C CA . ALA A 415 ? 0.4145 0.3488 0.4338 0.0253 0.0075 0.0585 415 ALA A CA 3129 C C . ALA A 415 ? 0.4854 0.4416 0.5193 0.0304 0.0070 0.0572 415 ALA A C 3130 O O . ALA A 415 ? 0.6437 0.6160 0.6860 0.0287 0.0123 0.0576 415 ALA A O 3131 C CB . ALA A 415 ? 0.3314 0.2628 0.3502 0.0150 0.0047 0.0599 415 ALA A CB 3132 N N . GLY A 416 ? 0.4620 0.4197 0.4991 0.0371 0.0009 0.0560 416 GLY A N 3133 C CA . GLY A 416 ? 0.4551 0.4331 0.5062 0.0445 0.0000 0.0544 416 GLY A CA 3134 C C . GLY A 416 ? 0.4555 0.4337 0.5061 0.0542 0.0052 0.0516 416 GLY A C 3135 O O . GLY A 416 ? 0.3729 0.3701 0.4335 0.0572 0.0100 0.0500 416 GLY A O 3136 N N . ARG A 417 ? 0.5201 0.4775 0.5588 0.0588 0.0044 0.0506 417 ARG A N 3137 C CA . ARG A 417 ? 0.4305 0.3849 0.4672 0.0677 0.0081 0.0466 417 ARG A CA 3138 C C . ARG A 417 ? 0.4008 0.3629 0.4358 0.0647 0.0163 0.0455 417 ARG A C 3139 O O . ARG A 417 ? 0.3427 0.3164 0.3823 0.0719 0.0205 0.0417 417 ARG A O 3140 C CB . ARG A 417 ? 0.3122 0.2422 0.3370 0.0706 0.0054 0.0458 417 ARG A CB 3141 C CG . ARG A 417 ? 0.3714 0.2943 0.3981 0.0788 -0.0008 0.0458 417 ARG A CG 3142 C CD . ARG A 417 ? 0.5120 0.4508 0.5509 0.0894 -0.0005 0.0425 417 ARG A CD 3143 N NE . ARG A 417 ? 0.6162 0.5421 0.6544 0.1000 -0.0051 0.0413 417 ARG A NE 3144 C CZ . ARG A 417 ? 0.6199 0.5416 0.6589 0.1097 -0.0030 0.0356 417 ARG A CZ 3145 N NH1 . ARG A 417 ? 0.7517 0.6833 0.7917 0.1104 0.0037 0.0304 417 ARG A NH1 3146 N NH2 . ARG A 417 ? 0.5793 0.4862 0.6174 0.1189 -0.0075 0.0350 417 ARG A NH2 3147 N N . LEU A 418 ? 0.3930 0.3485 0.4206 0.0550 0.0185 0.0489 418 LEU A N 3148 C CA . LEU A 418 ? 0.4044 0.3668 0.4290 0.0512 0.0260 0.0499 418 LEU A CA 3149 C C . LEU A 418 ? 0.4538 0.4415 0.4915 0.0493 0.0305 0.0510 418 LEU A C 3150 O O . LEU A 418 ? 0.4646 0.4659 0.5057 0.0556 0.0357 0.0481 418 LEU A O 3151 C CB . LEU A 418 ? 0.3698 0.3190 0.3847 0.0415 0.0266 0.0543 418 LEU A CB 3152 C CG . LEU A 418 ? 0.4133 0.3409 0.4156 0.0433 0.0238 0.0532 418 LEU A CG 3153 C CD1 . LEU A 418 ? 0.2650 0.1827 0.2580 0.0363 0.0261 0.0570 418 LEU A CD1 3154 C CD2 . LEU A 418 ? 0.3195 0.2450 0.3182 0.0522 0.0251 0.0481 418 LEU A CD2 3155 N N . ALA A 419 ? 0.4853 0.4798 0.5304 0.0402 0.0285 0.0548 419 ALA A N 3156 C CA . ALA A 419 ? 0.4298 0.4506 0.4903 0.0364 0.0321 0.0563 419 ALA A CA 3157 C C . ALA A 419 ? 0.4133 0.4545 0.4850 0.0481 0.0341 0.0517 419 ALA A C 3158 O O . ALA A 419 ? 0.4987 0.5600 0.5770 0.0484 0.0417 0.0518 419 ALA A O 3159 C CB . ALA A 419 ? 0.3317 0.3568 0.4011 0.0277 0.0260 0.0583 419 ALA A CB 3160 N N . ALA A 420 ? 0.3845 0.4197 0.4575 0.0582 0.0277 0.0479 420 ALA A N 3161 C CA . ALA A 420 ? 0.5236 0.5768 0.6083 0.0706 0.0284 0.0433 420 ALA A CA 3162 C C . ALA A 420 ? 0.5857 0.6342 0.6625 0.0809 0.0338 0.0379 420 ALA A C 3163 O O . ALA A 420 ? 0.6132 0.6746 0.6981 0.0929 0.0352 0.0328 420 ALA A O 3164 C CB . ALA A 420 ? 0.4981 0.5467 0.5879 0.0778 0.0188 0.0423 420 ALA A CB 3165 N N . GLN A 421 ? 0.4851 0.5157 0.5460 0.0767 0.0365 0.0386 421 GLN A N 3166 C CA . GLN A 421 ? 0.4476 0.4715 0.4985 0.0851 0.0406 0.0328 421 GLN A CA 3167 C C . GLN A 421 ? 0.4641 0.4920 0.5055 0.0790 0.0485 0.0350 421 GLN A C 3168 O O . GLN A 421 ? 0.3716 0.3878 0.3998 0.0826 0.0500 0.0314 421 GLN A O 3169 C CB . GLN A 421 ? 0.3643 0.3598 0.4034 0.0881 0.0344 0.0303 421 GLN A CB 3170 C CG . GLN A 421 ? 0.2852 0.2750 0.3303 0.0984 0.0283 0.0266 421 GLN A CG 3171 C CD . GLN A 421 ? 0.3353 0.2977 0.3710 0.0972 0.0215 0.0275 421 GLN A CD 3172 O OE1 . GLN A 421 ? 0.4137 0.3686 0.4532 0.1032 0.0157 0.0272 421 GLN A OE1 3173 N NE2 . GLN A 421 ? 0.3489 0.2970 0.3725 0.0897 0.0223 0.0290 421 GLN A NE2 3174 N N . GLY A 422 ? 0.4497 0.4933 0.4973 0.0693 0.0530 0.0413 422 GLY A N 3175 C CA . GLY A 422 ? 0.3688 0.4184 0.4080 0.0640 0.0613 0.0449 422 GLY A CA 3176 C C . GLY A 422 ? 0.4084 0.4470 0.4406 0.0505 0.0618 0.0534 422 GLY A C 3177 O O . GLY A 422 ? 0.5678 0.6147 0.5958 0.0449 0.0692 0.0585 422 GLY A O 3178 N N . ALA A 423 ? 0.3392 0.3583 0.3688 0.0456 0.0544 0.0553 423 ALA A N 3179 C CA . ALA A 423 ? 0.2800 0.2866 0.3018 0.0344 0.0550 0.0624 423 ALA A CA 3180 C C . ALA A 423 ? 0.3826 0.4012 0.4173 0.0236 0.0557 0.0674 423 ALA A C 3181 O O . ALA A 423 ? 0.4537 0.4844 0.5026 0.0245 0.0520 0.0649 423 ALA A O 3182 C CB . ALA A 423 ? 0.2765 0.2577 0.2887 0.0339 0.0479 0.0618 423 ALA A CB 3183 N N . ARG A 424 ? 0.3483 0.3641 0.3784 0.0134 0.0605 0.0745 424 ARG A N 3184 C CA . ARG A 424 ? 0.4116 0.4324 0.4519 0.0004 0.0603 0.0795 424 ARG A CA 3185 C C . ARG A 424 ? 0.4809 0.4751 0.5130 -0.0036 0.0526 0.0797 424 ARG A C 3186 O O . ARG A 424 ? 0.4121 0.3863 0.4291 -0.0028 0.0528 0.0818 424 ARG A O 3187 C CB . ARG A 424 ? 0.4809 0.5076 0.5183 -0.0085 0.0695 0.0878 424 ARG A CB 3188 C CG . ARG A 424 ? 0.6382 0.6629 0.6830 -0.0244 0.0695 0.0939 424 ARG A CG 3189 C CD . ARG A 424 ? 0.8213 0.8742 0.8884 -0.0295 0.0699 0.0924 424 ARG A CD 3190 N NE . ARG A 424 ? 0.9535 1.0348 1.0284 -0.0280 0.0799 0.0946 424 ARG A NE 3191 C CZ . ARG A 424 ? 1.0530 1.1645 1.1465 -0.0242 0.0811 0.0905 424 ARG A CZ 3192 N NH1 . ARG A 424 ? 1.0595 1.1759 1.1652 -0.0212 0.0720 0.0844 424 ARG A NH1 3193 N NH2 . ARG A 424 ? 1.0587 1.1965 1.1582 -0.0225 0.0914 0.0925 424 ARG A NH2 3194 N N . VAL A 425 ? 0.5209 0.5163 0.5626 -0.0067 0.0456 0.0770 425 VAL A N 3195 C CA . VAL A 425 ? 0.4178 0.3897 0.4512 -0.0091 0.0382 0.0758 425 VAL A CA 3196 C C . VAL A 425 ? 0.3778 0.3475 0.4175 -0.0225 0.0355 0.0780 425 VAL A C 3197 O O . VAL A 425 ? 0.3629 0.3532 0.4181 -0.0284 0.0356 0.0780 425 VAL A O 3198 C CB . VAL A 425 ? 0.2755 0.2461 0.3105 0.0001 0.0309 0.0698 425 VAL A CB 3199 C CG1 . VAL A 425 ? 0.2761 0.2231 0.3001 -0.0014 0.0248 0.0688 425 VAL A CG1 3200 C CG2 . VAL A 425 ? 0.2833 0.2562 0.3141 0.0126 0.0332 0.0667 425 VAL A CG2 3201 N N . TYR A 426 ? 0.2970 0.2425 0.3252 -0.0275 0.0331 0.0793 426 TYR A N 3202 C CA . TYR A 426 ? 0.4002 0.3390 0.4322 -0.0396 0.0291 0.0795 426 TYR A CA 3203 C C . TYR A 426 ? 0.4562 0.3754 0.4786 -0.0369 0.0213 0.0747 426 TYR A C 3204 O O . TYR A 426 ? 0.5616 0.4622 0.5702 -0.0310 0.0217 0.0749 426 TYR A O 3205 C CB . TYR A 426 ? 0.4077 0.3334 0.4342 -0.0497 0.0345 0.0860 426 TYR A CB 3206 C CG . TYR A 426 ? 0.4206 0.3654 0.4553 -0.0544 0.0433 0.0922 426 TYR A CG 3207 C CD1 . TYR A 426 ? 0.4862 0.4487 0.5372 -0.0666 0.0446 0.0939 426 TYR A CD1 3208 C CD2 . TYR A 426 ? 0.3412 0.2876 0.3673 -0.0470 0.0503 0.0961 426 TYR A CD2 3209 C CE1 . TYR A 426 ? 0.5032 0.4852 0.5621 -0.0715 0.0537 0.1001 426 TYR A CE1 3210 C CE2 . TYR A 426 ? 0.4985 0.4635 0.5306 -0.0510 0.0591 0.1020 426 TYR A CE2 3211 C CZ . TYR A 426 ? 0.4963 0.4793 0.5450 -0.0634 0.0612 0.1042 426 TYR A CZ 3212 O OH . TYR A 426 ? 0.4460 0.4496 0.5013 -0.0681 0.0709 0.1105 426 TYR A OH 3213 N N . ALA A 427 ? 0.4494 0.3746 0.4792 -0.0410 0.0142 0.0705 427 ALA A N 3214 C CA . ALA A 427 ? 0.3663 0.2762 0.3866 -0.0380 0.0068 0.0657 427 ALA A CA 3215 C C . ALA A 427 ? 0.3923 0.2892 0.4102 -0.0495 0.0026 0.0635 427 ALA A C 3216 O O . ALA A 427 ? 0.4571 0.3648 0.4867 -0.0604 0.0021 0.0639 427 ALA A O 3217 C CB . ALA A 427 ? 0.3534 0.2796 0.3809 -0.0312 0.0008 0.0621 427 ALA A CB 3218 N N . TYR A 428 ? 0.3250 0.1992 0.3283 -0.0473 -0.0002 0.0606 428 TYR A N 3219 C CA . TYR A 428 ? 0.4715 0.3306 0.4705 -0.0570 -0.0046 0.0568 428 TYR A CA 3220 C C . TYR A 428 ? 0.4423 0.2916 0.4302 -0.0519 -0.0114 0.0504 428 TYR A C 3221 O O . TYR A 428 ? 0.3342 0.1789 0.3133 -0.0413 -0.0106 0.0505 428 TYR A O 3222 C CB . TYR A 428 ? 0.4298 0.2649 0.4192 -0.0608 0.0005 0.0601 428 TYR A CB 3223 C CG . TYR A 428 ? 0.4885 0.3065 0.4628 -0.0494 0.0024 0.0601 428 TYR A CG 3224 C CD1 . TYR A 428 ? 0.5903 0.4124 0.5627 -0.0408 0.0080 0.0650 428 TYR A CD1 3225 C CD2 . TYR A 428 ? 0.4937 0.2937 0.4559 -0.0470 -0.0016 0.0545 428 TYR A CD2 3226 C CE1 . TYR A 428 ? 0.6019 0.4111 0.5624 -0.0311 0.0093 0.0647 428 TYR A CE1 3227 C CE2 . TYR A 428 ? 0.5729 0.3610 0.5233 -0.0366 0.0005 0.0544 428 TYR A CE2 3228 C CZ . TYR A 428 ? 0.6293 0.4226 0.5798 -0.0291 0.0057 0.0596 428 TYR A CZ 3229 O OH . TYR A 428 ? 0.7332 0.5166 0.6736 -0.0197 0.0072 0.0592 428 TYR A OH 3230 N N . VAL A 429 ? 0.4541 0.2995 0.4415 -0.0601 -0.0178 0.0448 429 VAL A N 3231 C CA . VAL A 429 ? 0.4673 0.2982 0.4400 -0.0562 -0.0228 0.0386 429 VAL A CA 3232 C C . VAL A 429 ? 0.4622 0.2679 0.4256 -0.0630 -0.0225 0.0350 429 VAL A C 3233 O O . VAL A 429 ? 0.4896 0.2934 0.4593 -0.0752 -0.0250 0.0329 429 VAL A O 3234 C CB . VAL A 429 ? 0.4730 0.3186 0.4484 -0.0572 -0.0319 0.0333 429 VAL A CB 3235 C CG1 . VAL A 429 ? 0.4308 0.2589 0.3898 -0.0572 -0.0369 0.0258 429 VAL A CG1 3236 C CG2 . VAL A 429 ? 0.3468 0.2089 0.3249 -0.0462 -0.0324 0.0366 429 VAL A CG2 3237 N N . PHE A 430 ? 0.4522 0.2385 0.4011 -0.0551 -0.0194 0.0345 430 PHE A N 3238 C CA . PHE A 430 ? 0.5663 0.3263 0.5049 -0.0586 -0.0188 0.0309 430 PHE A CA 3239 C C . PHE A 430 ? 0.7202 0.4733 0.6483 -0.0589 -0.0257 0.0210 430 PHE A C 3240 O O . PHE A 430 ? 0.8676 0.6174 0.7841 -0.0490 -0.0256 0.0184 430 PHE A O 3241 C CB . PHE A 430 ? 0.5799 0.3248 0.5088 -0.0485 -0.0122 0.0348 430 PHE A CB 3242 C CG . PHE A 430 ? 0.6856 0.4024 0.6043 -0.0500 -0.0112 0.0318 430 PHE A CG 3243 C CD1 . PHE A 430 ? 0.6580 0.3622 0.5803 -0.0576 -0.0081 0.0367 430 PHE A CD1 3244 C CD2 . PHE A 430 ? 0.7758 0.4782 0.6806 -0.0436 -0.0131 0.0243 430 PHE A CD2 3245 C CE1 . PHE A 430 ? 0.6787 0.3541 0.5912 -0.0584 -0.0074 0.0342 430 PHE A CE1 3246 C CE2 . PHE A 430 ? 0.7790 0.4543 0.6743 -0.0436 -0.0122 0.0208 430 PHE A CE2 3247 C CZ . PHE A 430 ? 0.7080 0.3687 0.6072 -0.0508 -0.0097 0.0258 430 PHE A CZ 3248 N N . GLU A 431 ? 0.6992 0.4512 0.6312 -0.0706 -0.0317 0.0152 431 GLU A N 3249 C CA . GLU A 431 ? 0.6606 0.4081 0.5822 -0.0718 -0.0393 0.0047 431 GLU A CA 3250 C C . GLU A 431 ? 0.5772 0.2973 0.4903 -0.0792 -0.0412 -0.0031 431 GLU A C 3251 O O . GLU A 431 ? 0.5498 0.2699 0.4651 -0.0900 -0.0484 -0.0106 431 GLU A O 3252 C CB . GLU A 431 ? 0.7168 0.4897 0.6492 -0.0781 -0.0473 0.0025 431 GLU A CB 3253 C CG . GLU A 431 ? 0.8000 0.5853 0.7520 -0.0912 -0.0479 0.0059 431 GLU A CG 3254 C CD . GLU A 431 ? 0.8903 0.7054 0.8551 -0.0951 -0.0557 0.0043 431 GLU A CD 3255 O OE1 . GLU A 431 ? 0.8239 0.6566 0.7896 -0.0847 -0.0563 0.0078 431 GLU A OE1 3256 O OE2 . GLU A 431 ? 1.0040 0.8246 0.9785 -0.1086 -0.0614 -0.0005 431 GLU A OE2 3257 N N . HIS A 432 ? 0.5754 0.2721 0.4791 -0.0732 -0.0350 -0.0015 432 HIS A N 3258 C CA . HIS A 432 ? 0.6059 0.2728 0.4990 -0.0772 -0.0365 -0.0096 432 HIS A CA 3259 C C . HIS A 432 ? 0.7122 0.3621 0.5879 -0.0631 -0.0332 -0.0138 432 HIS A C 3260 O O . HIS A 432 ? 0.7633 0.4092 0.6375 -0.0534 -0.0262 -0.0067 432 HIS A O 3261 C CB . HIS A 432 ? 0.6083 0.2580 0.5087 -0.0862 -0.0325 -0.0036 432 HIS A CB 3262 C CG . HIS A 432 ? 0.7331 0.3474 0.6213 -0.0877 -0.0331 -0.0108 432 HIS A CG 3263 N ND1 . HIS A 432 ? 0.8027 0.4030 0.6910 -0.1014 -0.0396 -0.0199 432 HIS A ND1 3264 C CD2 . HIS A 432 ? 0.6994 0.2950 0.5778 -0.0756 -0.0279 -0.0109 432 HIS A CD2 3265 C CE1 . HIS A 432 ? 0.7551 0.3326 0.6358 -0.0960 -0.0373 -0.0251 432 HIS A CE1 3266 N NE2 . HIS A 432 ? 0.7025 0.2791 0.5782 -0.0799 -0.0302 -0.0195 432 HIS A NE2 3267 N N . ARG A 433 ? 0.7495 0.3906 0.6121 -0.0623 -0.0384 -0.0259 433 ARG A N 3268 C CA . ARG A 433 ? 0.7433 0.3703 0.5890 -0.0491 -0.0353 -0.0317 433 ARG A CA 3269 C C . ARG A 433 ? 0.8132 0.4076 0.6532 -0.0478 -0.0319 -0.0337 433 ARG A C 3270 O O . ARG A 433 ? 0.7910 0.3662 0.6304 -0.0583 -0.0361 -0.0400 433 ARG A O 3271 C CB . ARG A 433 ? 0.7014 0.3307 0.5341 -0.0493 -0.0422 -0.0445 433 ARG A CB 3272 C CG . ARG A 433 ? 0.6075 0.2305 0.4227 -0.0352 -0.0387 -0.0505 433 ARG A CG 3273 C CD . ARG A 433 ? 0.6722 0.2972 0.4731 -0.0367 -0.0457 -0.0635 433 ARG A CD 3274 N NE . ARG A 433 ? 0.7891 0.4223 0.5759 -0.0233 -0.0417 -0.0653 433 ARG A NE 3275 C CZ . ARG A 433 ? 0.8494 0.4661 0.6209 -0.0137 -0.0379 -0.0739 433 ARG A CZ 3276 N NH1 . ARG A 433 ? 0.8889 0.4772 0.6564 -0.0153 -0.0383 -0.0820 433 ARG A NH1 3277 N NH2 . ARG A 433 ? 0.5934 0.2219 0.3538 -0.0024 -0.0334 -0.0743 433 ARG A NH2 3278 N N . ALA A 434 ? 0.8202 0.4081 0.6565 -0.0350 -0.0247 -0.0283 434 ALA A N 3279 C CA . ALA A 434 ? 0.7287 0.3016 0.5665 -0.0295 -0.0206 -0.0290 434 ALA A CA 3280 C C . ALA A 434 ? 0.7576 0.3120 0.5820 -0.0281 -0.0243 -0.0440 434 ALA A C 3281 O O . ALA A 434 ? 0.7930 0.3474 0.6022 -0.0229 -0.0265 -0.0529 434 ALA A O 3282 C CB . ALA A 434 ? 0.5835 0.1648 0.4229 -0.0141 -0.0132 -0.0219 434 ALA A CB 3283 N N . SER A 435 ? 0.7824 0.3209 0.6118 -0.0327 -0.0247 -0.0468 435 SER A N 3284 C CA . SER A 435 ? 0.7777 0.2975 0.5957 -0.0311 -0.0279 -0.0615 435 SER A CA 3285 C C . SER A 435 ? 0.8536 0.3683 0.6630 -0.0131 -0.0224 -0.0646 435 SER A C 3286 O O . SER A 435 ? 0.8220 0.3258 0.6182 -0.0078 -0.0240 -0.0777 435 SER A O 3287 C CB . SER A 435 ? 0.6860 0.1892 0.5138 -0.0419 -0.0298 -0.0628 435 SER A CB 3288 O OG . SER A 435 ? 0.8734 0.3704 0.7098 -0.0345 -0.0235 -0.0535 435 SER A OG 3289 N N . THR A 436 ? 0.9580 0.4820 0.7753 -0.0037 -0.0161 -0.0529 436 THR A N 3290 C CA . THR A 436 ? 0.9451 0.4688 0.7564 0.0133 -0.0109 -0.0547 436 THR A CA 3291 C C . THR A 436 ? 0.8683 0.4071 0.6684 0.0220 -0.0089 -0.0570 436 THR A C 3292 O O . THR A 436 ? 0.8274 0.3701 0.6231 0.0361 -0.0040 -0.0584 436 THR A O 3293 C CB . THR A 436 ? 1.1865 0.7152 1.0110 0.0199 -0.0059 -0.0416 436 THR A CB 3294 O OG1 . THR A 436 ? 1.1562 0.7053 0.9897 0.0167 -0.0043 -0.0294 436 THR A OG1 3295 C CG2 . THR A 436 ? 1.1518 0.6629 0.9850 0.0131 -0.0072 -0.0391 436 THR A CG2 3296 N N . LEU A 437 ? 0.8049 0.3524 0.6011 0.0135 -0.0126 -0.0573 437 LEU A N 3297 C CA . LEU A 437 ? 0.7140 0.2754 0.5004 0.0202 -0.0107 -0.0571 437 LEU A CA 3298 C C . LEU A 437 ? 0.7552 0.3109 0.5233 0.0309 -0.0092 -0.0702 437 LEU A C 3299 O O . LEU A 437 ? 0.7534 0.2947 0.5137 0.0290 -0.0127 -0.0821 437 LEU A O 3300 C CB . LEU A 437 ? 0.6145 0.1889 0.4023 0.0083 -0.0162 -0.0550 437 LEU A CB 3301 C CG . LEU A 437 ? 0.6657 0.2697 0.4642 0.0103 -0.0129 -0.0426 437 LEU A CG 3302 C CD1 . LEU A 437 ? 0.5416 0.1634 0.3486 -0.0019 -0.0187 -0.0389 437 LEU A CD1 3303 C CD2 . LEU A 437 ? 0.6841 0.3032 0.4737 0.0217 -0.0085 -0.0447 437 LEU A CD2 3304 N N . SER A 438 ? 0.7752 0.3456 0.5384 0.0420 -0.0034 -0.0678 438 SER A N 3305 C CA . SER A 438 ? 0.8569 0.4277 0.6052 0.0541 0.0004 -0.0785 438 SER A CA 3306 C C . SER A 438 ? 0.8562 0.4551 0.5991 0.0537 0.0011 -0.0779 438 SER A C 3307 O O . SER A 438 ? 0.8246 0.4280 0.5533 0.0618 0.0041 -0.0867 438 SER A O 3308 C CB . SER A 438 ? 0.8432 0.4170 0.5975 0.0686 0.0083 -0.0745 438 SER A CB 3309 O OG . SER A 438 ? 0.8465 0.4359 0.6133 0.0697 0.0118 -0.0608 438 SER A OG 3310 N N . TRP A 439 ? 0.8215 0.4389 0.5753 0.0445 -0.0016 -0.0672 439 TRP A N 3311 C CA . TRP A 439 ? 0.7555 0.3973 0.5047 0.0426 -0.0023 -0.0649 439 TRP A CA 3312 C C . TRP A 439 ? 0.7176 0.3570 0.4566 0.0331 -0.0113 -0.0736 439 TRP A C 3313 O O . TRP A 439 ? 0.6182 0.2427 0.3614 0.0235 -0.0179 -0.0772 439 TRP A O 3314 C CB . TRP A 439 ? 0.6796 0.3414 0.4450 0.0384 -0.0013 -0.0499 439 TRP A CB 3315 C CG . TRP A 439 ? 0.6924 0.3594 0.4680 0.0468 0.0064 -0.0416 439 TRP A CG 3316 C CD1 . TRP A 439 ? 0.6528 0.3099 0.4403 0.0471 0.0076 -0.0360 439 TRP A CD1 3317 C CD2 . TRP A 439 ? 0.7398 0.4244 0.5146 0.0555 0.0138 -0.0379 439 TRP A CD2 3318 N NE1 . TRP A 439 ? 0.6893 0.3572 0.4834 0.0560 0.0144 -0.0297 439 TRP A NE1 3319 C CE2 . TRP A 439 ? 0.7148 0.4000 0.5023 0.0608 0.0184 -0.0309 439 TRP A CE2 3320 C CE3 . TRP A 439 ? 0.7198 0.4202 0.4842 0.0589 0.0170 -0.0393 439 TRP A CE3 3321 C CZ2 . TRP A 439 ? 0.6545 0.3565 0.4464 0.0687 0.0256 -0.0262 439 TRP A CZ2 3322 C CZ3 . TRP A 439 ? 0.6258 0.3419 0.3944 0.0663 0.0251 -0.0339 439 TRP A CZ3 3323 C CH2 . TRP A 439 ? 0.5480 0.2653 0.3311 0.0708 0.0291 -0.0278 439 TRP A CH2 3324 N N . PRO A 440 ? 0.7126 0.3675 0.4381 0.0354 -0.0116 -0.0769 440 PRO A N 3325 C CA . PRO A 440 ? 0.6106 0.2696 0.3247 0.0279 -0.0205 -0.0841 440 PRO A CA 3326 C C . PRO A 440 ? 0.6072 0.2703 0.3349 0.0144 -0.0295 -0.0791 440 PRO A C 3327 O O . PRO A 440 ? 0.5690 0.2426 0.3138 0.0117 -0.0280 -0.0663 440 PRO A O 3328 C CB . PRO A 440 ? 0.6080 0.2909 0.3126 0.0331 -0.0170 -0.0787 440 PRO A CB 3329 C CG . PRO A 440 ? 0.6346 0.3262 0.3494 0.0411 -0.0065 -0.0678 440 PRO A CG 3330 C CD . PRO A 440 ? 0.7190 0.3903 0.4390 0.0460 -0.0028 -0.0728 440 PRO A CD 3331 N N . LEU A 441 ? 0.6165 0.2730 0.3363 0.0063 -0.0389 -0.0898 441 LEU A N 3332 C CA . LEU A 441 ? 0.6101 0.2728 0.3427 -0.0070 -0.0483 -0.0871 441 LEU A CA 3333 C C . LEU A 441 ? 0.6778 0.3680 0.4194 -0.0086 -0.0502 -0.0743 441 LEU A C 3334 O O . LEU A 441 ? 0.7191 0.4169 0.4785 -0.0167 -0.0538 -0.0670 441 LEU A O 3335 C CB . LEU A 441 ? 0.7048 0.3600 0.4243 -0.0143 -0.0585 -0.1025 441 LEU A CB 3336 C CG . LEU A 441 ? 0.6951 0.3341 0.4255 -0.0278 -0.0657 -0.1084 441 LEU A CG 3337 C CD1 . LEU A 441 ? 0.7201 0.3686 0.4758 -0.0350 -0.0647 -0.0938 441 LEU A CD1 3338 C CD2 . LEU A 441 ? 0.6785 0.2853 0.4015 -0.0247 -0.0619 -0.1187 441 LEU A CD2 3339 N N . TRP A 442 ? 0.6501 0.3548 0.3791 -0.0008 -0.0475 -0.0716 442 TRP A N 3340 C CA . TRP A 442 ? 0.6860 0.4138 0.4210 -0.0015 -0.0500 -0.0598 442 TRP A CA 3341 C C . TRP A 442 ? 0.6858 0.4195 0.4407 -0.0001 -0.0435 -0.0457 442 TRP A C 3342 O O . TRP A 442 ? 0.7814 0.5311 0.5465 -0.0024 -0.0466 -0.0362 442 TRP A O 3343 C CB . TRP A 442 ? 0.7513 0.4912 0.4665 0.0063 -0.0480 -0.0589 442 TRP A CB 3344 C CG . TRP A 442 ? 0.7589 0.4969 0.4678 0.0166 -0.0358 -0.0557 442 TRP A CG 3345 C CD1 . TRP A 442 ? 0.7751 0.5025 0.4683 0.0234 -0.0303 -0.0659 442 TRP A CD1 3346 C CD2 . TRP A 442 ? 0.7452 0.4936 0.4641 0.0212 -0.0277 -0.0418 442 TRP A CD2 3347 N NE1 . TRP A 442 ? 0.7564 0.4891 0.4505 0.0319 -0.0190 -0.0588 442 TRP A NE1 3348 C CE2 . TRP A 442 ? 0.7371 0.4823 0.4469 0.0300 -0.0176 -0.0440 442 TRP A CE2 3349 C CE3 . TRP A 442 ? 0.7380 0.4981 0.4731 0.0188 -0.0282 -0.0283 442 TRP A CE3 3350 C CZ2 . TRP A 442 ? 0.7499 0.5042 0.4672 0.0351 -0.0083 -0.0331 442 TRP A CZ2 3351 C CZ3 . TRP A 442 ? 0.6162 0.3827 0.3572 0.0241 -0.0191 -0.0180 442 TRP A CZ3 3352 C CH2 . TRP A 442 ? 0.6612 0.4252 0.3937 0.0315 -0.0096 -0.0204 442 TRP A CH2 3353 N N . MET A 443 ? 0.5903 0.3116 0.3501 0.0043 -0.0351 -0.0446 443 MET A N 3354 C CA . MET A 443 ? 0.6404 0.3663 0.4185 0.0052 -0.0297 -0.0326 443 MET A CA 3355 C C . MET A 443 ? 0.6110 0.3338 0.4071 -0.0042 -0.0340 -0.0299 443 MET A C 3356 O O . MET A 443 ? 0.5132 0.2451 0.3243 -0.0049 -0.0317 -0.0197 443 MET A O 3357 C CB . MET A 443 ? 0.4983 0.2149 0.2757 0.0139 -0.0198 -0.0317 443 MET A CB 3358 C CG . MET A 443 ? 0.4995 0.2253 0.2647 0.0228 -0.0135 -0.0306 443 MET A CG 3359 S SD . MET A 443 ? 0.6973 0.4161 0.4660 0.0329 -0.0025 -0.0296 443 MET A SD 3360 C CE . MET A 443 ? 0.4931 0.2297 0.2514 0.0404 0.0048 -0.0256 443 MET A CE 3361 N N . GLY A 444 ? 0.6314 0.3416 0.4257 -0.0119 -0.0399 -0.0394 444 GLY A N 3362 C CA . GLY A 444 ? 0.7025 0.4111 0.5135 -0.0226 -0.0439 -0.0372 444 GLY A CA 3363 C C . GLY A 444 ? 0.7882 0.4859 0.6114 -0.0222 -0.0371 -0.0304 444 GLY A C 3364 O O . GLY A 444 ? 0.8490 0.5260 0.6664 -0.0192 -0.0332 -0.0348 444 GLY A O 3365 N N . VAL A 445 ? 0.6732 0.3848 0.5127 -0.0249 -0.0358 -0.0199 445 VAL A N 3366 C CA . VAL A 445 ? 0.5266 0.2319 0.3764 -0.0231 -0.0290 -0.0120 445 VAL A CA 3367 C C . VAL A 445 ? 0.5778 0.2965 0.4290 -0.0134 -0.0234 -0.0039 445 VAL A C 3368 O O . VAL A 445 ? 0.6495 0.3859 0.5106 -0.0144 -0.0243 0.0030 445 VAL A O 3369 C CB . VAL A 445 ? 0.5132 0.2261 0.3804 -0.0332 -0.0308 -0.0060 445 VAL A CB 3370 C CG1 . VAL A 445 ? 0.5269 0.2305 0.4011 -0.0312 -0.0237 0.0016 445 VAL A CG1 3371 C CG2 . VAL A 445 ? 0.4749 0.1808 0.3439 -0.0455 -0.0378 -0.0135 445 VAL A CG2 3372 N N . PRO A 446 ? 0.5744 0.2853 0.4166 -0.0040 -0.0176 -0.0050 446 PRO A N 3373 C CA . PRO A 446 ? 0.5675 0.2930 0.4112 0.0035 -0.0131 0.0019 446 PRO A CA 3374 C C . PRO A 446 ? 0.5812 0.3093 0.4370 0.0062 -0.0078 0.0107 446 PRO A C 3375 O O . PRO A 446 ? 0.5222 0.2382 0.3819 0.0051 -0.0059 0.0115 446 PRO A O 3376 C CB . PRO A 446 ? 0.4999 0.2198 0.3288 0.0120 -0.0093 -0.0038 446 PRO A CB 3377 C CG . PRO A 446 ? 0.4986 0.1978 0.3182 0.0103 -0.0114 -0.0143 446 PRO A CG 3378 C CD . PRO A 446 ? 0.4657 0.1566 0.2961 0.0008 -0.0151 -0.0129 446 PRO A CD 3379 N N . HIS A 447 ? 0.5263 0.2697 0.3871 0.0095 -0.0058 0.0173 447 HIS A N 3380 C CA . HIS A 447 ? 0.5119 0.2605 0.3819 0.0133 -0.0010 0.0245 447 HIS A CA 3381 C C . HIS A 447 ? 0.6319 0.3676 0.5010 0.0177 0.0034 0.0240 447 HIS A C 3382 O O . HIS A 447 ? 0.6706 0.4016 0.5321 0.0244 0.0066 0.0206 447 HIS A O 3383 C CB . HIS A 447 ? 0.5149 0.2752 0.3832 0.0187 0.0017 0.0278 447 HIS A CB 3384 C CG . HIS A 447 ? 0.5513 0.3197 0.4299 0.0212 0.0050 0.0346 447 HIS A CG 3385 N ND1 . HIS A 447 ? 0.6395 0.4161 0.5282 0.0179 0.0029 0.0392 447 HIS A ND1 3386 C CD2 . HIS A 447 ? 0.5166 0.2876 0.3970 0.0267 0.0099 0.0368 447 HIS A CD2 3387 C CE1 . HIS A 447 ? 0.6265 0.4083 0.5214 0.0213 0.0063 0.0434 447 HIS A CE1 3388 N NE2 . HIS A 447 ? 0.5330 0.3120 0.4235 0.0262 0.0102 0.0422 447 HIS A NE2 3389 N N . GLY A 448 ? 0.6230 0.3537 0.4996 0.0143 0.0036 0.0277 448 GLY A N 3390 C CA . GLY A 448 ? 0.5287 0.2488 0.4053 0.0194 0.0074 0.0297 448 GLY A CA 3391 C C . GLY A 448 ? 0.4871 0.1897 0.3604 0.0165 0.0062 0.0257 448 GLY A C 3392 O O . GLY A 448 ? 0.5616 0.2631 0.4386 0.0209 0.0085 0.0265 448 GLY A O 3393 N N . TYR A 449 ? 0.5373 0.2313 0.4065 0.0086 0.0018 0.0209 449 TYR A N 3394 C CA . TYR A 449 ? 0.6343 0.3059 0.4983 0.0047 0.0001 0.0161 449 TYR A CA 3395 C C . TYR A 449 ? 0.6709 0.3419 0.5455 -0.0060 -0.0013 0.0207 449 TYR A C 3396 O O . TYR A 449 ? 0.7132 0.3690 0.5862 -0.0128 -0.0038 0.0166 449 TYR A O 3397 C CB . TYR A 449 ? 0.6486 0.3131 0.5017 0.0033 -0.0038 0.0052 449 TYR A CB 3398 C CG . TYR A 449 ? 0.6465 0.3048 0.4891 0.0152 -0.0002 0.0003 449 TYR A CG 3399 C CD1 . TYR A 449 ? 0.7510 0.3895 0.5885 0.0201 0.0015 -0.0037 449 TYR A CD1 3400 C CD2 . TYR A 449 ? 0.5656 0.2413 0.4059 0.0219 0.0023 0.0007 449 TYR A CD2 3401 C CE1 . TYR A 449 ? 0.7623 0.3983 0.5920 0.0321 0.0053 -0.0083 449 TYR A CE1 3402 C CE2 . TYR A 449 ? 0.5385 0.2116 0.3707 0.0327 0.0066 -0.0034 449 TYR A CE2 3403 C CZ . TYR A 449 ? 0.6196 0.2719 0.4461 0.0384 0.0082 -0.0083 449 TYR A CZ 3404 O OH . TYR A 449 ? 0.6727 0.3239 0.4924 0.0502 0.0127 -0.0128 449 TYR A OH 3405 N N . GLU A 450 ? 0.6596 0.3472 0.5448 -0.0075 0.0006 0.0290 450 GLU A N 3406 C CA . GLU A 450 ? 0.6104 0.2994 0.5057 -0.0160 0.0013 0.0349 450 GLU A CA 3407 C C . GLU A 450 ? 0.5794 0.2724 0.4802 -0.0091 0.0055 0.0402 450 GLU A C 3408 O O . GLU A 450 ? 0.6187 0.3063 0.5245 -0.0139 0.0066 0.0444 450 GLU A O 3409 C CB . GLU A 450 ? 0.5359 0.2408 0.4388 -0.0210 0.0010 0.0405 450 GLU A CB 3410 C CG . GLU A 450 ? 0.6789 0.4008 0.5876 -0.0131 0.0053 0.0471 450 GLU A CG 3411 C CD . GLU A 450 ? 0.7840 0.5156 0.6891 -0.0053 0.0048 0.0451 450 GLU A CD 3412 O OE1 . GLU A 450 ? 0.7940 0.5190 0.6908 0.0000 0.0042 0.0398 450 GLU A OE1 3413 O OE2 . GLU A 450 ? 0.7866 0.5358 0.6992 -0.0045 0.0054 0.0486 450 GLU A OE2 3414 N N . ILE A 451 ? 0.5245 0.2266 0.4238 0.0017 0.0075 0.0401 451 ILE A N 3415 C CA . ILE A 451 ? 0.5353 0.2438 0.4392 0.0081 0.0101 0.0453 451 ILE A CA 3416 C C . ILE A 451 ? 0.5601 0.2519 0.4624 0.0082 0.0099 0.0451 451 ILE A C 3417 O O . ILE A 451 ? 0.6313 0.3230 0.5383 0.0064 0.0110 0.0519 451 ILE A O 3418 C CB . ILE A 451 ? 0.5139 0.2327 0.4158 0.0188 0.0115 0.0438 451 ILE A CB 3419 C CG1 . ILE A 451 ? 0.4750 0.2082 0.3783 0.0187 0.0115 0.0438 451 ILE A CG1 3420 C CG2 . ILE A 451 ? 0.4773 0.2034 0.3836 0.0243 0.0129 0.0494 451 ILE A CG2 3421 C CD1 . ILE A 451 ? 0.4916 0.2371 0.3957 0.0273 0.0133 0.0440 451 ILE A CD1 3422 N N . GLU A 452 ? 0.5204 0.1967 0.4149 0.0103 0.0086 0.0374 452 GLU A N 3423 C CA . GLU A 452 ? 0.4922 0.1510 0.3848 0.0121 0.0084 0.0364 452 GLU A CA 3424 C C . GLU A 452 ? 0.4981 0.1465 0.3959 0.0009 0.0076 0.0406 452 GLU A C 3425 O O . GLU A 452 ? 0.5097 0.1453 0.4082 0.0019 0.0079 0.0432 452 GLU A O 3426 C CB . GLU A 452 ? 0.5383 0.1816 0.4207 0.0169 0.0072 0.0260 452 GLU A CB 3427 C CG . GLU A 452 ? 0.6548 0.2882 0.5305 0.0085 0.0040 0.0180 452 GLU A CG 3428 C CD . GLU A 452 ? 0.7712 0.3903 0.6343 0.0152 0.0031 0.0068 452 GLU A CD 3429 O OE1 . GLU A 452 ? 0.7581 0.3848 0.6150 0.0245 0.0050 0.0040 452 GLU A OE1 3430 O OE2 . GLU A 452 ? 0.8763 0.4762 0.7354 0.0111 0.0007 0.0005 452 GLU A OE2 3431 N N . PHE A 453 ? 0.5259 0.1799 0.4275 -0.0097 0.0068 0.0420 453 PHE A N 3432 C CA . PHE A 453 ? 0.6146 0.2605 0.5223 -0.0220 0.0068 0.0463 453 PHE A CA 3433 C C . PHE A 453 ? 0.5312 0.1901 0.4468 -0.0240 0.0100 0.0580 453 PHE A C 3434 O O . PHE A 453 ? 0.4904 0.1413 0.4101 -0.0306 0.0113 0.0641 453 PHE A O 3435 C CB . PHE A 453 ? 0.6223 0.2657 0.5298 -0.0342 0.0036 0.0409 453 PHE A CB 3436 C CG . PHE A 453 ? 0.7479 0.3737 0.6463 -0.0351 -0.0006 0.0292 453 PHE A CG 3437 C CD1 . PHE A 453 ? 0.7544 0.3818 0.6427 -0.0267 -0.0022 0.0216 453 PHE A CD1 3438 C CD2 . PHE A 453 ? 0.8016 0.4091 0.7010 -0.0445 -0.0027 0.0254 453 PHE A CD2 3439 C CE1 . PHE A 453 ? 0.7620 0.3730 0.6398 -0.0270 -0.0060 0.0101 453 PHE A CE1 3440 C CE2 . PHE A 453 ? 0.7941 0.3851 0.6840 -0.0452 -0.0070 0.0132 453 PHE A CE2 3441 C CZ . PHE A 453 ? 0.7830 0.3759 0.6614 -0.0361 -0.0087 0.0054 453 PHE A CZ 3442 N N . ILE A 454 ? 0.4525 0.1307 0.3693 -0.0185 0.0114 0.0609 454 ILE A N 3443 C CA . ILE A 454 ? 0.4585 0.1501 0.3801 -0.0192 0.0143 0.0706 454 ILE A CA 3444 C C . ILE A 454 ? 0.6415 0.3286 0.5609 -0.0118 0.0150 0.0759 454 ILE A C 3445 O O . ILE A 454 ? 0.7325 0.4203 0.6536 -0.0152 0.0169 0.0849 454 ILE A O 3446 C CB . ILE A 454 ? 0.4772 0.1887 0.3993 -0.0136 0.0149 0.0704 454 ILE A CB 3447 C CG1 . ILE A 454 ? 0.4077 0.1225 0.3300 -0.0182 0.0133 0.0647 454 ILE A CG1 3448 C CG2 . ILE A 454 ? 0.6002 0.3240 0.5254 -0.0153 0.0180 0.0794 454 ILE A CG2 3449 C CD1 . ILE A 454 ? 0.4095 0.1274 0.3370 -0.0301 0.0143 0.0686 454 ILE A CD1 3450 N N . PHE A 455 ? 0.5785 0.2606 0.4931 -0.0017 0.0135 0.0707 455 PHE A N 3451 C CA . PHE A 455 ? 0.5986 0.2754 0.5105 0.0062 0.0135 0.0751 455 PHE A CA 3452 C C . PHE A 455 ? 0.6576 0.3111 0.5682 0.0034 0.0127 0.0756 455 PHE A C 3453 O O . PHE A 455 ? 0.7506 0.3954 0.6581 0.0110 0.0122 0.0779 455 PHE A O 3454 C CB . PHE A 455 ? 0.6786 0.3614 0.5866 0.0187 0.0128 0.0696 455 PHE A CB 3455 C CG . PHE A 455 ? 0.6069 0.3109 0.5161 0.0233 0.0136 0.0715 455 PHE A CG 3456 C CD1 . PHE A 455 ? 0.5603 0.2777 0.4726 0.0187 0.0143 0.0700 455 PHE A CD1 3457 C CD2 . PHE A 455 ? 0.5816 0.2910 0.4884 0.0328 0.0136 0.0743 455 PHE A CD2 3458 C CE1 . PHE A 455 ? 0.6200 0.3550 0.5334 0.0231 0.0150 0.0712 455 PHE A CE1 3459 C CE2 . PHE A 455 ? 0.4074 0.1350 0.3151 0.0368 0.0141 0.0752 455 PHE A CE2 3460 C CZ . PHE A 455 ? 0.6334 0.3731 0.5444 0.0318 0.0149 0.0734 455 PHE A CZ 3461 N N . GLY A 456 ? 0.6088 0.2516 0.5220 -0.0075 0.0124 0.0729 456 GLY A N 3462 C CA . GLY A 456 ? 0.6329 0.2526 0.5460 -0.0122 0.0117 0.0733 456 GLY A CA 3463 C C . GLY A 456 ? 0.6627 0.2661 0.5698 -0.0025 0.0099 0.0659 456 GLY A C 3464 O O . GLY A 456 ? 0.7266 0.3103 0.6329 -0.0026 0.0094 0.0679 456 GLY A O 3465 N N . ILE A 457 ? 0.6174 0.2286 0.5199 0.0059 0.0092 0.0577 457 ILE A N 3466 C CA . ILE A 457 ? 0.6407 0.2386 0.5365 0.0159 0.0081 0.0494 457 ILE A CA 3467 C C . ILE A 457 ? 0.6986 0.2711 0.5914 0.0105 0.0063 0.0419 457 ILE A C 3468 O O . ILE A 457 ? 0.7214 0.2775 0.6103 0.0182 0.0058 0.0387 457 ILE A O 3469 C CB . ILE A 457 ? 0.5278 0.1402 0.4192 0.0241 0.0084 0.0422 457 ILE A CB 3470 C CG1 . ILE A 457 ? 0.5992 0.2317 0.4931 0.0323 0.0099 0.0487 457 ILE A CG1 3471 C CG2 . ILE A 457 ? 0.6622 0.2604 0.5458 0.0331 0.0079 0.0324 457 ILE A CG2 3472 C CD1 . ILE A 457 ? 0.5193 0.1457 0.4112 0.0439 0.0099 0.0513 457 ILE A CD1 3473 N N . PRO A 458 ? 0.5810 0.1498 0.4758 -0.0027 0.0051 0.0385 458 PRO A N 3474 C CA . PRO A 458 ? 0.8261 0.3702 0.7195 -0.0100 0.0030 0.0322 458 PRO A CA 3475 C C . PRO A 458 ? 0.8460 0.3708 0.7423 -0.0094 0.0037 0.0388 458 PRO A C 3476 O O . PRO A 458 ? 0.9407 0.4424 0.8337 -0.0097 0.0020 0.0317 458 PRO A O 3477 C CB . PRO A 458 ? 0.6083 0.1571 0.5074 -0.0265 0.0021 0.0328 458 PRO A CB 3478 C CG . PRO A 458 ? 0.5766 0.1493 0.4753 -0.0250 0.0025 0.0331 458 PRO A CG 3479 C CD . PRO A 458 ? 0.7779 0.3642 0.6752 -0.0107 0.0049 0.0381 458 PRO A CD 3480 N N . LEU A 459 ? 0.7296 0.2628 0.6311 -0.0084 0.0058 0.0520 459 LEU A N 3481 C CA . LEU A 459 ? 0.8305 0.3450 0.7343 -0.0088 0.0063 0.0603 459 LEU A CA 3482 C C . LEU A 459 ? 0.8173 0.3184 0.7148 0.0065 0.0053 0.0574 459 LEU A C 3483 O O . LEU A 459 ? 0.7673 0.2458 0.6649 0.0072 0.0049 0.0606 459 LEU A O 3484 C CB . LEU A 459 ? 0.7787 0.3063 0.6875 -0.0120 0.0086 0.0756 459 LEU A CB 3485 C CG . LEU A 459 ? 0.7278 0.2687 0.6437 -0.0269 0.0104 0.0801 459 LEU A CG 3486 C CD1 . LEU A 459 ? 0.8100 0.3636 0.7285 -0.0278 0.0130 0.0950 459 LEU A CD1 3487 C CD2 . LEU A 459 ? 0.6955 0.2172 0.6163 -0.0414 0.0102 0.0774 459 LEU A CD2 3488 N N . ASP A 460 ? 0.7501 0.2655 0.6427 0.0186 0.0053 0.0517 460 ASP A N 3489 C CA . ASP A 460 ? 0.8311 0.3379 0.7182 0.0340 0.0048 0.0474 460 ASP A CA 3490 C C . ASP A 460 ? 1.0012 0.4808 0.8844 0.0332 0.0034 0.0366 460 ASP A C 3491 O O . ASP A 460 ? 1.0920 0.5702 0.9718 0.0284 0.0025 0.0254 460 ASP A O 3492 C CB . ASP A 460 ? 0.8881 0.4167 0.7715 0.0440 0.0057 0.0415 460 ASP A CB 3493 C CG . ASP A 460 ? 1.0104 0.5365 0.8898 0.0610 0.0059 0.0392 460 ASP A CG 3494 O OD1 . ASP A 460 ? 1.0003 0.5042 0.8782 0.0659 0.0050 0.0388 460 ASP A OD1 3495 O OD2 . ASP A 460 ? 1.0498 0.5961 0.9281 0.0694 0.0070 0.0377 460 ASP A OD2 3496 N N . PRO A 461 ? 1.0234 0.4805 0.9065 0.0378 0.0028 0.0399 461 PRO A N 3497 C CA . PRO A 461 ? 1.0136 0.4416 0.8936 0.0367 0.0014 0.0301 461 PRO A CA 3498 C C . PRO A 461 ? 0.9529 0.3792 0.8246 0.0486 0.0011 0.0152 461 PRO A C 3499 O O . PRO A 461 ? 0.9336 0.3435 0.8010 0.0447 -0.0003 0.0030 461 PRO A O 3500 C CB . PRO A 461 ? 1.0349 0.4425 0.9168 0.0419 0.0012 0.0396 461 PRO A CB 3501 C CG . PRO A 461 ? 0.9713 0.3994 0.8537 0.0522 0.0020 0.0504 461 PRO A CG 3502 C CD . PRO A 461 ? 0.9722 0.4292 0.8575 0.0443 0.0032 0.0534 461 PRO A CD 3503 N N . SER A 462 ? 0.9665 0.4102 0.8358 0.0629 0.0025 0.0160 462 SER A N 3504 C CA . SER A 462 ? 1.0562 0.5017 0.9181 0.0754 0.0032 0.0032 462 SER A CA 3505 C C . SER A 462 ? 1.1259 0.5824 0.9830 0.0683 0.0032 -0.0069 462 SER A C 3506 O O . SER A 462 ? 1.1488 0.5976 0.9980 0.0730 0.0031 -0.0203 462 SER A O 3507 C CB . SER A 462 ? 1.1115 0.5772 0.9740 0.0905 0.0050 0.0078 462 SER A CB 3508 O OG . SER A 462 ? 1.1255 0.6153 0.9931 0.0855 0.0056 0.0185 462 SER A OG 3509 N N . ARG A 463 ? 1.1984 0.6729 1.0598 0.0574 0.0031 -0.0003 463 ARG A N 3510 C CA . ARG A 463 ? 1.1958 0.6811 1.0532 0.0496 0.0025 -0.0079 463 ARG A CA 3511 C C . ARG A 463 ? 1.2378 0.7027 1.0936 0.0362 -0.0005 -0.0153 463 ARG A C 3512 O O . ARG A 463 ? 1.2397 0.6903 1.1021 0.0272 -0.0015 -0.0093 463 ARG A O 3513 C CB . ARG A 463 ? 1.1974 0.7077 1.0609 0.0426 0.0033 0.0020 463 ARG A CB 3514 C CG . ARG A 463 ? 1.2463 0.7779 1.1122 0.0540 0.0058 0.0093 463 ARG A CG 3515 C CD . ARG A 463 ? 1.2853 0.8409 1.1501 0.0529 0.0070 0.0082 463 ARG A CD 3516 N NE . ARG A 463 ? 1.2762 0.8526 1.1457 0.0606 0.0089 0.0165 463 ARG A NE 3517 C CZ . ARG A 463 ? 1.2710 0.8542 1.1382 0.0744 0.0107 0.0144 463 ARG A CZ 3518 N NH1 . ARG A 463 ? 1.1925 0.7638 1.0525 0.0830 0.0114 0.0044 463 ARG A NH1 3519 N NH2 . ARG A 463 ? 1.3240 0.9264 1.1961 0.0797 0.0119 0.0218 463 ARG A NH2 3520 N N . ASN A 464 ? 1.2517 0.7157 1.0986 0.0346 -0.0020 -0.0283 464 ASN A N 3521 C CA . ASN A 464 ? 1.1763 0.6214 1.0201 0.0226 -0.0058 -0.0383 464 ASN A CA 3522 C C . ASN A 464 ? 1.0491 0.5053 0.8974 0.0057 -0.0083 -0.0355 464 ASN A C 3523 O O . ASN A 464 ? 1.1264 0.5832 0.9673 -0.0002 -0.0115 -0.0462 464 ASN A O 3524 C CB . ASN A 464 ? 1.4559 0.8933 1.2859 0.0300 -0.0070 -0.0555 464 ASN A CB 3525 C CG . ASN A 464 ? 1.2269 0.6526 1.0529 0.0472 -0.0043 -0.0598 464 ASN A CG 3526 O OD1 . ASN A 464 ? 1.3159 0.7407 1.1490 0.0545 -0.0020 -0.0497 464 ASN A OD1 3527 N ND2 . ASN A 464 ? 1.1216 0.5390 0.9358 0.0539 -0.0048 -0.0753 464 ASN A ND2 3528 N N . TYR A 465 ? 0.9390 0.4046 0.7988 -0.0017 -0.0069 -0.0216 465 TYR A N 3529 C CA . TYR A 465 ? 0.8747 0.3511 0.7401 -0.0179 -0.0089 -0.0189 465 TYR A CA 3530 C C . TYR A 465 ? 0.9493 0.4066 0.8206 -0.0334 -0.0117 -0.0213 465 TYR A C 3531 O O . TYR A 465 ? 1.0218 0.4586 0.8959 -0.0324 -0.0109 -0.0196 465 TYR A O 3532 C CB . TYR A 465 ? 0.7247 0.2235 0.5996 -0.0191 -0.0057 -0.0037 465 TYR A CB 3533 C CG . TYR A 465 ? 0.7402 0.2612 0.6108 -0.0082 -0.0038 -0.0024 465 TYR A CG 3534 C CD1 . TYR A 465 ? 0.8648 0.3888 0.7325 0.0074 -0.0010 -0.0005 465 TYR A CD1 3535 C CD2 . TYR A 465 ? 0.6156 0.1545 0.4854 -0.0136 -0.0049 -0.0030 465 TYR A CD2 3536 C CE1 . TYR A 465 ? 0.8928 0.4372 0.7577 0.0167 0.0010 0.0006 465 TYR A CE1 3537 C CE2 . TYR A 465 ? 0.5897 0.1475 0.4560 -0.0038 -0.0028 -0.0015 465 TYR A CE2 3538 C CZ . TYR A 465 ? 0.8178 0.3785 0.6821 0.0110 0.0003 0.0002 465 TYR A CZ 3539 O OH . TYR A 465 ? 0.7052 0.2845 0.5672 0.0202 0.0026 0.0017 465 TYR A OH 3540 N N . THR A 466 ? 0.9474 0.4116 0.8210 -0.0481 -0.0152 -0.0249 466 THR A N 3541 C CA . THR A 466 ? 1.0038 0.4532 0.8843 -0.0651 -0.0184 -0.0282 466 THR A CA 3542 C C . THR A 466 ? 1.0092 0.4627 0.9046 -0.0755 -0.0149 -0.0129 466 THR A C 3543 O O . THR A 466 ? 1.0683 0.5402 0.9683 -0.0714 -0.0110 -0.0005 466 THR A O 3544 C CB . THR A 466 ? 0.9582 0.4153 0.8359 -0.0776 -0.0247 -0.0392 466 THR A CB 3545 O OG1 . THR A 466 ? 0.9477 0.4261 0.8357 -0.0885 -0.0243 -0.0296 466 THR A OG1 3546 C CG2 . THR A 466 ? 0.9664 0.4307 0.8288 -0.0662 -0.0269 -0.0496 466 THR A CG2 3547 N N . ALA A 467 ? 0.9117 0.3484 0.8145 -0.0893 -0.0164 -0.0143 467 ALA A N 3548 C CA . ALA A 467 ? 0.9596 0.3974 0.8760 -0.0995 -0.0124 0.0003 467 ALA A CA 3549 C C . ALA A 467 ? 0.9918 0.4579 0.9165 -0.1087 -0.0110 0.0083 467 ALA A C 3550 O O . ALA A 467 ? 1.0721 0.5498 1.0032 -0.1073 -0.0058 0.0229 467 ALA A O 3551 C CB . ALA A 467 ? 1.0199 0.4347 0.9433 -0.1142 -0.0143 -0.0040 467 ALA A CB 3552 N N . GLU A 468 ? 0.9538 0.4312 0.8776 -0.1178 -0.0162 -0.0016 468 GLU A N 3553 C CA . GLU A 468 ? 0.9615 0.4651 0.8944 -0.1284 -0.0160 0.0045 468 GLU A CA 3554 C C . GLU A 468 ? 0.8628 0.3875 0.7903 -0.1151 -0.0134 0.0105 468 GLU A C 3555 O O . GLU A 468 ? 0.8318 0.3781 0.7670 -0.1201 -0.0110 0.0192 468 GLU A O 3556 C CB . GLU A 468 ? 1.0995 0.6084 1.0337 -0.1427 -0.0240 -0.0085 468 GLU A CB 3557 C CG . GLU A 468 ? 1.2420 0.7289 1.1653 -0.1409 -0.0302 -0.0255 468 GLU A CG 3558 C CD . GLU A 468 ? 1.3026 0.8006 1.2152 -0.1399 -0.0381 -0.0386 468 GLU A CD 3559 O OE1 . GLU A 468 ? 1.2675 0.7813 1.1874 -0.1546 -0.0439 -0.0422 468 GLU A OE1 3560 O OE2 . GLU A 468 ? 1.3086 0.8009 1.2058 -0.1244 -0.0385 -0.0451 468 GLU A OE2 3561 N N . GLU A 469 ? 0.7597 0.2784 0.6745 -0.0984 -0.0137 0.0053 469 GLU A N 3562 C CA . GLU A 469 ? 0.7385 0.2749 0.6485 -0.0844 -0.0107 0.0109 469 GLU A CA 3563 C C . GLU A 469 ? 0.7943 0.3341 0.7098 -0.0769 -0.0042 0.0253 469 GLU A C 3564 O O . GLU A 469 ? 0.7981 0.3581 0.7164 -0.0726 -0.0011 0.0339 469 GLU A O 3565 C CB . GLU A 469 ? 0.7675 0.2973 0.6631 -0.0698 -0.0127 0.0004 469 GLU A CB 3566 C CG . GLU A 469 ? 0.8376 0.3676 0.7246 -0.0749 -0.0194 -0.0134 469 GLU A CG 3567 C CD . GLU A 469 ? 0.8564 0.3842 0.7281 -0.0595 -0.0200 -0.0220 469 GLU A CD 3568 O OE1 . GLU A 469 ? 0.8468 0.3598 0.7135 -0.0490 -0.0178 -0.0251 469 GLU A OE1 3569 O OE2 . GLU A 469 ? 0.8469 0.3881 0.7120 -0.0578 -0.0224 -0.0254 469 GLU A OE2 3570 N N . LYS A 470 ? 0.7773 0.2966 0.6937 -0.0752 -0.0028 0.0277 470 LYS A N 3571 C CA . LYS A 470 ? 0.7102 0.2302 0.6315 -0.0701 0.0020 0.0419 470 LYS A CA 3572 C C . LYS A 470 ? 0.7088 0.2443 0.6411 -0.0826 0.0054 0.0532 470 LYS A C 3573 O O . LYS A 470 ? 0.7645 0.3188 0.6984 -0.0773 0.0087 0.0627 470 LYS A O 3574 C CB . LYS A 470 ? 0.7421 0.2344 0.6628 -0.0686 0.0020 0.0425 470 LYS A CB 3575 C CG . LYS A 470 ? 0.8645 0.3458 0.7748 -0.0511 0.0007 0.0358 470 LYS A CG 3576 C CD . LYS A 470 ? 0.9443 0.3960 0.8538 -0.0490 0.0003 0.0353 470 LYS A CD 3577 C CE . LYS A 470 ? 0.9068 0.3480 0.8057 -0.0324 -0.0012 0.0257 470 LYS A CE 3578 N NZ . LYS A 470 ? 0.9109 0.3202 0.8081 -0.0325 -0.0028 0.0198 470 LYS A NZ 3579 N N . ILE A 471 ? 0.7283 0.2569 0.6682 -0.0995 0.0045 0.0513 471 ILE A N 3580 C CA . ILE A 471 ? 0.7557 0.3011 0.7072 -0.1138 0.0078 0.0599 471 ILE A CA 3581 C C . ILE A 471 ? 0.8196 0.3924 0.7710 -0.1121 0.0078 0.0600 471 ILE A C 3582 O O . ILE A 471 ? 0.9334 0.5240 0.8907 -0.1142 0.0127 0.0710 471 ILE A O 3583 C CB . ILE A 471 ? 0.7499 0.2869 0.7099 -0.1333 0.0050 0.0535 471 ILE A CB 3584 C CG1 . ILE A 471 ? 0.7183 0.2344 0.6846 -0.1403 0.0083 0.0607 471 ILE A CG1 3585 C CG2 . ILE A 471 ? 0.6682 0.2303 0.6387 -0.1473 0.0058 0.0561 471 ILE A CG2 3586 C CD1 . ILE A 471 ? 0.7651 0.2516 0.7264 -0.1400 0.0036 0.0493 471 ILE A CD1 3587 N N . PHE A 472 ? 0.7230 0.2983 0.6671 -0.1083 0.0025 0.0481 472 PHE A N 3588 C CA . PHE A 472 ? 0.6519 0.2505 0.5953 -0.1064 0.0017 0.0478 472 PHE A CA 3589 C C . PHE A 472 ? 0.6318 0.2436 0.5728 -0.0921 0.0068 0.0576 472 PHE A C 3590 O O . PHE A 472 ? 0.6789 0.3102 0.6253 -0.0947 0.0100 0.0650 472 PHE A O 3591 C CB . PHE A 472 ? 0.6572 0.2529 0.5905 -0.1027 -0.0052 0.0339 472 PHE A CB 3592 C CG . PHE A 472 ? 0.6884 0.3055 0.6210 -0.1024 -0.0074 0.0334 472 PHE A CG 3593 C CD1 . PHE A 472 ? 0.7089 0.3441 0.6530 -0.1156 -0.0075 0.0386 472 PHE A CD1 3594 C CD2 . PHE A 472 ? 0.6360 0.2556 0.5571 -0.0892 -0.0095 0.0279 472 PHE A CD2 3595 C CE1 . PHE A 472 ? 0.6434 0.2973 0.5873 -0.1150 -0.0105 0.0386 472 PHE A CE1 3596 C CE2 . PHE A 472 ? 0.5219 0.1589 0.4422 -0.0887 -0.0119 0.0281 472 PHE A CE2 3597 C CZ . PHE A 472 ? 0.5561 0.2098 0.4879 -0.1013 -0.0129 0.0335 472 PHE A CZ 3598 N N . ALA A 473 ? 0.6141 0.2160 0.5474 -0.0775 0.0072 0.0571 473 ALA A N 3599 C CA . ALA A 473 ? 0.6986 0.3137 0.6296 -0.0639 0.0105 0.0649 473 ALA A CA 3600 C C . ALA A 473 ? 0.7600 0.3828 0.6979 -0.0680 0.0154 0.0789 473 ALA A C 3601 O O . ALA A 473 ? 0.7632 0.4046 0.7015 -0.0632 0.0179 0.0853 473 ALA A O 3602 C CB . ALA A 473 ? 0.5552 0.1579 0.4783 -0.0497 0.0093 0.0617 473 ALA A CB 3603 N N . GLN A 474 ? 0.7001 0.3080 0.6426 -0.0770 0.0167 0.0834 474 GLN A N 3604 C CA . GLN A 474 ? 0.6636 0.2764 0.6115 -0.0820 0.0216 0.0975 474 GLN A CA 3605 C C . GLN A 474 ? 0.6463 0.2799 0.6020 -0.0931 0.0253 0.1017 474 GLN A C 3606 O O . GLN A 474 ? 0.7122 0.3602 0.6692 -0.0923 0.0297 0.1125 474 GLN A O 3607 C CB . GLN A 474 ? 0.6131 0.2034 0.5649 -0.0907 0.0223 0.1007 474 GLN A CB 3608 C CG . GLN A 474 ? 0.8846 0.4538 0.8287 -0.0790 0.0193 0.0981 474 GLN A CG 3609 C CD . GLN A 474 ? 0.9063 0.4513 0.8540 -0.0868 0.0201 0.1023 474 GLN A CD 3610 O OE1 . GLN A 474 ? 0.9102 0.4492 0.8659 -0.1022 0.0210 0.1004 474 GLN A OE1 3611 N NE2 . GLN A 474 ? 0.9486 0.4794 0.8910 -0.0767 0.0196 0.1082 474 GLN A NE2 3612 N N . ARG A 475 ? 0.5933 0.2289 0.5535 -0.1037 0.0228 0.0927 475 ARG A N 3613 C CA . ARG A 475 ? 0.6297 0.2865 0.5981 -0.1149 0.0253 0.0951 475 ARG A CA 3614 C C . ARG A 475 ? 0.6459 0.3211 0.6091 -0.1033 0.0258 0.0958 475 ARG A C 3615 O O . ARG A 475 ? 0.6825 0.3761 0.6494 -0.1058 0.0308 0.1036 475 ARG A O 3616 C CB . ARG A 475 ? 0.6909 0.3465 0.6642 -0.1281 0.0196 0.0838 475 ARG A CB 3617 C CG . ARG A 475 ? 0.6988 0.3795 0.6829 -0.1410 0.0204 0.0859 475 ARG A CG 3618 C CD . ARG A 475 ? 0.7055 0.3867 0.6998 -0.1588 0.0144 0.0779 475 ARG A CD 3619 N NE . ARG A 475 ? 0.7299 0.4320 0.7286 -0.1631 0.0078 0.0724 475 ARG A NE 3620 C CZ . ARG A 475 ? 0.7113 0.4069 0.7033 -0.1608 -0.0016 0.0606 475 ARG A CZ 3621 N NH1 . ARG A 475 ? 0.7810 0.4507 0.7614 -0.1544 -0.0043 0.0525 475 ARG A NH1 3622 N NH2 . ARG A 475 ? 0.5423 0.2673 0.5429 -0.1590 -0.0067 0.0552 475 ARG A NH2 3623 N N . LEU A 476 ? 0.5117 0.1815 0.4659 -0.0907 0.0212 0.0876 476 LEU A N 3624 C CA . LEU A 476 ? 0.5178 0.2029 0.4671 -0.0794 0.0210 0.0866 476 LEU A CA 3625 C C . LEU A 476 ? 0.5779 0.2714 0.5240 -0.0686 0.0248 0.0959 476 LEU A C 3626 O O . LEU A 476 ? 0.5848 0.2955 0.5306 -0.0654 0.0273 0.0993 476 LEU A O 3627 C CB . LEU A 476 ? 0.5812 0.2583 0.5221 -0.0694 0.0156 0.0756 476 LEU A CB 3628 C CG . LEU A 476 ? 0.6226 0.2971 0.5629 -0.0775 0.0100 0.0656 476 LEU A CG 3629 C CD1 . LEU A 476 ? 0.6499 0.3208 0.5799 -0.0650 0.0063 0.0569 476 LEU A CD1 3630 C CD2 . LEU A 476 ? 0.5947 0.2879 0.5418 -0.0868 0.0099 0.0687 476 LEU A CD2 3631 N N . MET A 477 ? 0.6308 0.3116 0.5733 -0.0631 0.0245 0.0994 477 MET A N 3632 C CA . MET A 477 ? 0.6475 0.3351 0.5849 -0.0542 0.0264 0.1080 477 MET A CA 3633 C C . MET A 477 ? 0.6582 0.3579 0.5990 -0.0631 0.0318 0.1190 477 MET A C 3634 O O . MET A 477 ? 0.4757 0.1902 0.4115 -0.0579 0.0341 0.1232 477 MET A O 3635 C CB . MET A 477 ? 0.5072 0.1768 0.4403 -0.0485 0.0245 0.1103 477 MET A CB 3636 C CG . MET A 477 ? 0.5341 0.1952 0.4624 -0.0375 0.0203 0.1000 477 MET A CG 3637 S SD . MET A 477 ? 0.8430 0.4838 0.7657 -0.0289 0.0185 0.1029 477 MET A SD 3638 C CE . MET A 477 ? 0.5598 0.1812 0.4888 -0.0441 0.0201 0.1080 477 MET A CE 3639 N N . ARG A 478 ? 0.5956 0.2890 0.5443 -0.0771 0.0344 0.1230 478 ARG A N 3640 C CA . ARG A 478 ? 0.5873 0.2942 0.5411 -0.0877 0.0407 0.1334 478 ARG A CA 3641 C C . ARG A 478 ? 0.5412 0.2699 0.4974 -0.0895 0.0436 0.1311 478 ARG A C 3642 O O . ARG A 478 ? 0.6265 0.3701 0.5781 -0.0881 0.0484 0.1379 478 ARG A O 3643 C CB . ARG A 478 ? 0.7688 0.4665 0.7340 -0.1035 0.0438 0.1360 478 ARG A CB 3644 C CG . ARG A 478 ? 0.9050 0.6212 0.8794 -0.1165 0.0522 0.1448 478 ARG A CG 3645 C CD . ARG A 478 ? 0.9264 0.6447 0.8959 -0.1169 0.0562 0.1591 478 ARG A CD 3646 N NE . ARG A 478 ? 0.9223 0.6214 0.8974 -0.1247 0.0580 0.1636 478 ARG A NE 3647 C CZ . ARG A 478 ? 0.9064 0.5835 0.8739 -0.1175 0.0531 0.1662 478 ARG A CZ 3648 N NH1 . ARG A 478 ? 0.8450 0.5183 0.7997 -0.1024 0.0470 0.1640 478 ARG A NH1 3649 N NH2 . ARG A 478 ? 0.9199 0.5782 0.8927 -0.1256 0.0550 0.1706 478 ARG A NH2 3650 N N . TYR A 479 ? 0.5567 0.2863 0.5177 -0.0923 0.0408 0.1209 479 TYR A N 3651 C CA . TYR A 479 ? 0.5883 0.3366 0.5510 -0.0926 0.0428 0.1184 479 TYR A CA 3652 C C . TYR A 479 ? 0.5601 0.3173 0.5134 -0.0766 0.0447 0.1199 479 TYR A C 3653 O O . TYR A 479 ? 0.5283 0.3073 0.4856 -0.0747 0.0503 0.1237 479 TYR A O 3654 C CB . TYR A 479 ? 0.5513 0.3001 0.5179 -0.0937 0.0351 0.1061 479 TYR A CB 3655 C CG . TYR A 479 ? 0.6260 0.3781 0.6057 -0.1106 0.0318 0.1025 479 TYR A CG 3656 C CD1 . TYR A 479 ? 0.6564 0.4241 0.6491 -0.1241 0.0369 0.1094 479 TYR A CD1 3657 C CD2 . TYR A 479 ? 0.6643 0.4054 0.6434 -0.1132 0.0235 0.0917 479 TYR A CD2 3658 C CE1 . TYR A 479 ? 0.6968 0.4697 0.7033 -0.1405 0.0334 0.1057 479 TYR A CE1 3659 C CE2 . TYR A 479 ? 0.6709 0.4159 0.6620 -0.1290 0.0194 0.0874 479 TYR A CE2 3660 C CZ . TYR A 479 ? 0.6706 0.4318 0.6763 -0.1430 0.0242 0.0943 479 TYR A CZ 3661 O OH . TYR A 479 ? 0.6781 0.4452 0.6976 -0.1599 0.0198 0.0898 479 TYR A OH 3662 N N . TRP A 480 ? 0.5807 0.3276 0.5258 -0.0640 0.0389 0.1152 480 TRP A N 3663 C CA . TRP A 480 ? 0.5273 0.2829 0.4647 -0.0496 0.0389 0.1142 480 TRP A CA 3664 C C . TRP A 480 ? 0.6490 0.4104 0.5800 -0.0470 0.0435 0.1235 480 TRP A C 3665 O O . TRP A 480 ? 0.6696 0.4456 0.5979 -0.0404 0.0478 0.1251 480 TRP A O 3666 C CB . TRP A 480 ? 0.4822 0.2278 0.4149 -0.0387 0.0321 0.1067 480 TRP A CB 3667 C CG . TRP A 480 ? 0.5513 0.3024 0.4846 -0.0323 0.0291 0.0976 480 TRP A CG 3668 C CD1 . TRP A 480 ? 0.5688 0.3264 0.4982 -0.0202 0.0270 0.0934 480 TRP A CD1 3669 C CD2 . TRP A 480 ? 0.5793 0.3294 0.5169 -0.0385 0.0275 0.0919 480 TRP A CD2 3670 N NE1 . TRP A 480 ? 0.5242 0.2851 0.4555 -0.0183 0.0247 0.0864 480 TRP A NE1 3671 C CE2 . TRP A 480 ? 0.6366 0.3923 0.5717 -0.0288 0.0246 0.0855 480 TRP A CE2 3672 C CE3 . TRP A 480 ? 0.5802 0.3273 0.5239 -0.0521 0.0272 0.0913 480 TRP A CE3 3673 C CZ2 . TRP A 480 ? 0.6964 0.4567 0.6349 -0.0309 0.0208 0.0787 480 TRP A CZ2 3674 C CZ3 . TRP A 480 ? 0.6177 0.3758 0.5681 -0.0534 0.0216 0.0826 480 TRP A CZ3 3675 C CH2 . TRP A 480 ? 0.6524 0.4163 0.5992 -0.0425 0.0186 0.0769 480 TRP A CH2 3676 N N . ALA A 481 ? 0.6911 0.4407 0.6195 -0.0518 0.0430 0.1299 481 ALA A N 3677 C CA . ALA A 481 ? 0.6601 0.4134 0.5799 -0.0499 0.0470 0.1395 481 ALA A CA 3678 C C . ALA A 481 ? 0.6010 0.3716 0.5236 -0.0579 0.0563 0.1463 481 ALA A C 3679 O O . ALA A 481 ? 0.6787 0.4627 0.5951 -0.0509 0.0611 0.1496 481 ALA A O 3680 C CB . ALA A 481 ? 0.6912 0.4269 0.6084 -0.0535 0.0444 0.1458 481 ALA A CB 3681 N N . ASN A 482 ? 0.5005 0.2729 0.4338 -0.0723 0.0593 0.1479 482 ASN A N 3682 C CA . ASN A 482 ? 0.5164 0.3113 0.4582 -0.0797 0.0693 0.1532 482 ASN A CA 3683 C C . ASN A 482 ? 0.4926 0.3093 0.4393 -0.0687 0.0724 0.1489 482 ASN A C 3684 O O . ASN A 482 ? 0.4314 0.2725 0.3813 -0.0675 0.0786 0.1520 482 ASN A O 3685 C CB . ASN A 482 ? 0.4686 0.2659 0.4266 -0.0966 0.0707 0.1528 482 ASN A CB 3686 C CG . ASN A 482 ? 0.7489 0.5247 0.7029 -0.1081 0.0665 0.1569 482 ASN A CG 3687 O OD1 . ASN A 482 ? 0.8335 0.5990 0.7762 -0.1049 0.0655 0.1641 482 ASN A OD1 3688 N ND2 . ASN A 482 ? 0.7567 0.5285 0.7248 -0.1201 0.0635 0.1528 482 ASN A ND2 3689 N N . PHE A 483 ? 0.4489 0.2613 0.3954 -0.0598 0.0648 0.1384 483 PHE A N 3690 C CA . PHE A 483 ? 0.4965 0.3304 0.4457 -0.0485 0.0636 0.1313 483 PHE A CA 3691 C C . PHE A 483 ? 0.6030 0.4366 0.5376 -0.0367 0.0664 0.1352 483 PHE A C 3692 O O . PHE A 483 ? 0.6457 0.5007 0.5810 -0.0331 0.0713 0.1363 483 PHE A O 3693 C CB . PHE A 483 ? 0.4070 0.2378 0.3601 -0.0430 0.0554 0.1199 483 PHE A CB 3694 C CG . PHE A 483 ? 0.4424 0.2951 0.4005 -0.0333 0.0543 0.1130 483 PHE A CG 3695 C CD1 . PHE A 483 ? 0.3514 0.2292 0.3239 -0.0365 0.0562 0.1105 483 PHE A CD1 3696 C CD2 . PHE A 483 ? 0.3981 0.2462 0.3470 -0.0210 0.0515 0.1091 483 PHE A CD2 3697 C CE1 . PHE A 483 ? 0.4839 0.3787 0.4604 -0.0268 0.0551 0.1041 483 PHE A CE1 3698 C CE2 . PHE A 483 ? 0.3353 0.2004 0.2885 -0.0129 0.0504 0.1027 483 PHE A CE2 3699 C CZ . PHE A 483 ? 0.4710 0.3580 0.4373 -0.0154 0.0522 0.1002 483 PHE A CZ 3700 N N . ALA A 484 ? 0.5991 0.4105 0.5208 -0.0303 0.0626 0.1363 484 ALA A N 3701 C CA . ALA A 484 ? 0.5519 0.3660 0.4609 -0.0187 0.0621 0.1374 484 ALA A CA 3702 C C . ALA A 484 ? 0.6050 0.4285 0.5070 -0.0210 0.0696 0.1476 484 ALA A C 3703 O O . ALA A 484 ? 0.6909 0.5269 0.5854 -0.0124 0.0731 0.1491 484 ALA A O 3704 C CB . ALA A 484 ? 0.4313 0.2289 0.3333 -0.0132 0.0534 0.1339 484 ALA A CB 3705 N N . ARG A 485 ? 0.5907 0.4084 0.4947 -0.0331 0.0719 0.1545 485 ARG A N 3706 C CA . ARG A 485 ? 0.6296 0.4567 0.5276 -0.0377 0.0796 0.1648 485 ARG A CA 3707 C C . ARG A 485 ? 0.5714 0.4258 0.4781 -0.0396 0.0900 0.1672 485 ARG A C 3708 O O . ARG A 485 ? 0.5483 0.4179 0.4466 -0.0328 0.0955 0.1705 485 ARG A O 3709 C CB . ARG A 485 ? 0.5940 0.4065 0.4925 -0.0517 0.0792 0.1716 485 ARG A CB 3710 C CG . ARG A 485 ? 0.5283 0.3179 0.4155 -0.0483 0.0712 0.1740 485 ARG A CG 3711 C CD . ARG A 485 ? 0.5691 0.3448 0.4569 -0.0625 0.0715 0.1823 485 ARG A CD 3712 N NE . ARG A 485 ? 0.6213 0.3893 0.5232 -0.0730 0.0686 0.1774 485 ARG A NE 3713 C CZ . ARG A 485 ? 0.6479 0.3957 0.5533 -0.0728 0.0600 0.1739 485 ARG A CZ 3714 N NH1 . ARG A 485 ? 0.6511 0.3854 0.5481 -0.0625 0.0543 0.1750 485 ARG A NH1 3715 N NH2 . ARG A 485 ? 0.6302 0.3729 0.5491 -0.0822 0.0576 0.1691 485 ARG A NH2 3716 N N . THR A 486 ? 0.5750 0.4395 0.4999 -0.0484 0.0905 0.1628 486 THR A N 3717 C CA . THR A 486 ? 0.5519 0.4482 0.4896 -0.0525 0.0972 0.1619 486 THR A CA 3718 C C . THR A 486 ? 0.6175 0.5341 0.5686 -0.0455 0.0928 0.1482 486 THR A C 3719 O O . THR A 486 ? 0.3963 0.3406 0.3557 -0.0439 0.0981 0.1460 486 THR A O 3720 C CB . THR A 486 ? 0.5575 0.4568 0.5077 -0.0705 0.1025 0.1694 486 THR A CB 3721 O OG1 . THR A 486 ? 0.6383 0.5529 0.6094 -0.0758 0.0987 0.1600 486 THR A OG1 3722 C CG2 . THR A 486 ? 0.4649 0.3302 0.4063 -0.0788 0.0993 0.1762 486 THR A CG2 3723 N N . GLY A 487 ? 0.6224 0.5252 0.5751 -0.0408 0.0836 0.1394 487 GLY A N 3724 C CA . GLY A 487 ? 0.4816 0.3996 0.4460 -0.0345 0.0787 0.1276 487 GLY A CA 3725 C C . GLY A 487 ? 0.4863 0.4164 0.4701 -0.0453 0.0777 0.1253 487 GLY A C 3726 O O . GLY A 487 ? 0.5033 0.4546 0.5001 -0.0419 0.0764 0.1182 487 GLY A O 3727 N N . ASP A 488 ? 0.4188 0.3348 0.4043 -0.0582 0.0780 0.1313 488 ASP A N 3728 C CA . ASP A 488 ? 0.4802 0.4046 0.4833 -0.0705 0.0758 0.1291 488 ASP A CA 3729 C C . ASP A 488 ? 0.6248 0.5182 0.6215 -0.0795 0.0718 0.1320 488 ASP A C 3730 O O . ASP A 488 ? 0.7079 0.5848 0.6940 -0.0843 0.0765 0.1417 488 ASP A O 3731 C CB . ASP A 488 ? 0.5802 0.5305 0.5957 -0.0803 0.0849 0.1356 488 ASP A CB 3732 C CG . ASP A 488 ? 0.7571 0.7160 0.7918 -0.0958 0.0827 0.1345 488 ASP A CG 3733 O OD1 . ASP A 488 ? 0.8546 0.7892 0.8867 -0.1062 0.0790 0.1365 488 ASP A OD1 3734 O OD2 . ASP A 488 ? 0.7691 0.7595 0.8220 -0.0976 0.0846 0.1313 488 ASP A OD2 3735 N N . PRO A 489 ? 0.6213 0.5059 0.6232 -0.0813 0.0632 0.1238 489 PRO A N 3736 C CA . PRO A 489 ? 0.5721 0.4255 0.5667 -0.0880 0.0586 0.1241 489 PRO A CA 3737 C C . PRO A 489 ? 0.6122 0.4629 0.6166 -0.1066 0.0607 0.1291 489 PRO A C 3738 O O . PRO A 489 ? 0.6352 0.4572 0.6303 -0.1127 0.0605 0.1336 489 PRO A O 3739 C CB . PRO A 489 ? 0.4878 0.3389 0.4854 -0.0831 0.0490 0.1124 489 PRO A CB 3740 C CG . PRO A 489 ? 0.5512 0.4351 0.5654 -0.0825 0.0485 0.1079 489 PRO A CG 3741 C CD . PRO A 489 ? 0.5918 0.4954 0.6063 -0.0769 0.0572 0.1137 489 PRO A CD 3742 N N . ASN A 490 ? 0.7106 0.5901 0.7340 -0.1154 0.0626 0.1282 490 ASN A N 3743 C CA . ASN A 490 ? 0.8892 0.7667 0.9244 -0.1348 0.0630 0.1310 490 ASN A CA 3744 C C . ASN A 490 ? 1.1049 0.9787 1.1377 -0.1453 0.0733 0.1446 490 ASN A C 3745 O O . ASN A 490 ? 1.1923 1.0934 1.2400 -0.1546 0.0799 0.1493 490 ASN A O 3746 C CB . ASN A 490 ? 0.8644 0.7732 0.9228 -0.1422 0.0591 0.1238 490 ASN A CB 3747 C CG . ASN A 490 ? 0.9217 0.8661 0.9895 -0.1309 0.0620 0.1213 490 ASN A CG 3748 O OD1 . ASN A 490 ? 1.0548 0.9975 1.1115 -0.1145 0.0617 0.1190 490 ASN A OD1 3749 N ND2 . ASN A 490 ? 0.9026 0.8800 0.9920 -0.1394 0.0644 0.1212 490 ASN A ND2 3750 N N . GLU A 491 ? 1.3382 1.1783 1.3520 -0.1433 0.0745 0.1513 491 GLU A N 3751 C CA . GLU A 491 ? 1.5643 1.3932 1.5692 -0.1509 0.0834 0.1621 491 GLU A CA 3752 C C . GLU A 491 ? 1.6620 1.5182 1.6661 -0.1463 0.0934 0.1712 491 GLU A C 3753 O O . GLU A 491 ? 1.6862 1.5713 1.6992 -0.1374 0.0941 0.1676 491 GLU A O 3754 C CB . GLU A 491 ? 1.5150 1.3422 1.5344 -0.1700 0.0850 0.1617 491 GLU A CB 3755 C CG . GLU A 491 ? 1.3915 1.1946 1.4142 -0.1740 0.0752 0.1517 491 GLU A CG 3756 C CD . GLU A 491 ? 1.2884 1.0541 1.2955 -0.1632 0.0740 0.1520 491 GLU A CD 3757 O OE1 . GLU A 491 ? 1.1852 0.9431 1.1818 -0.1560 0.0809 0.1615 491 GLU A OE1 3758 O OE2 . GLU A 491 ? 1.2583 1.0065 1.2655 -0.1610 0.0646 0.1429 491 GLU A OE2 3759 N N . PRO A 492 ? 1.6634 1.5089 1.6522 -0.1495 0.1004 0.1792 492 PRO A N 3760 C CA . PRO A 492 ? 1.6928 1.5691 1.6843 -0.1486 0.1108 0.1870 492 PRO A CA 3761 C C . PRO A 492 ? 1.8215 1.7326 1.8411 -0.1625 0.1158 0.1871 492 PRO A C 3762 O O . PRO A 492 ? 1.7855 1.7324 1.8195 -0.1572 0.1190 0.1865 492 PRO A O 3763 C CB . PRO A 492 ? 1.6422 1.4965 1.6123 -0.1530 0.1158 0.1955 492 PRO A CB 3764 C CG . PRO A 492 ? 1.6289 1.4439 1.5792 -0.1469 0.1053 0.1924 492 PRO A CG 3765 C CD . PRO A 492 ? 1.6407 1.4473 1.6053 -0.1496 0.0982 0.1816 492 PRO A CD 3766 N N . ARG A 493 ? 1.9719 1.8731 2.0002 -0.1793 0.1164 0.1870 493 ARG A N 3767 C CA . ARG A 493 ? 2.0481 1.9824 2.1044 -0.1944 0.1197 0.1861 493 ARG A CA 3768 C C . ARG A 493 ? 2.0806 2.0089 2.1535 -0.2037 0.1084 0.1764 493 ARG A C 3769 O O . ARG A 493 ? 2.0379 1.9464 2.1033 -0.1954 0.0983 0.1698 493 ARG A O 3770 C CB . ARG A 493 ? 2.0386 1.9726 2.0947 -0.2076 0.1310 0.1944 493 ARG A CB 3771 C CG . ARG A 493 ? 1.9900 1.9708 2.0708 -0.2174 0.1395 0.1966 493 ARG A CG 3772 C CD . ARG A 493 ? 1.9802 2.0008 2.0695 -0.2043 0.1409 0.1945 493 ARG A CD 3773 N NE . ARG A 493 ? 2.0069 2.0498 2.1204 -0.2058 0.1316 0.1855 493 ARG A NE 3774 C CZ . ARG A 493 ? 1.9668 2.0255 2.0825 -0.1894 0.1267 0.1784 493 ARG A CZ 3775 N NH1 . ARG A 493 ? 1.9318 1.9873 2.0283 -0.1712 0.1301 0.1792 493 ARG A NH1 3776 N NH2 . ARG A 493 ? 1.9352 2.0094 2.0688 -0.1882 0.1169 0.1659 493 ARG A NH2 3777 N N . ASP A 494 ? 2.1026 2.0489 2.1977 -0.2208 0.1098 0.1750 494 ASP A N 3778 C CA . ASP A 494 ? 2.0639 2.0110 2.1760 -0.2305 0.0983 0.1648 494 ASP A CA 3779 C C . ASP A 494 ? 1.9830 1.9003 2.0956 -0.2447 0.0970 0.1630 494 ASP A C 3780 O O . ASP A 494 ? 2.0009 1.9306 2.1273 -0.2589 0.1041 0.1670 494 ASP A O 3781 C CB . ASP A 494 ? 2.0989 2.0972 2.2411 -0.2377 0.0983 0.1621 494 ASP A CB 3782 C CG . ASP A 494 ? 2.1268 2.1303 2.2856 -0.2457 0.0845 0.1507 494 ASP A CG 3783 O OD1 . ASP A 494 ? 2.1761 2.1454 2.3209 -0.2424 0.0745 0.1444 494 ASP A OD1 3784 O OD2 . ASP A 494 ? 2.0867 2.1298 2.2719 -0.2543 0.0834 0.1473 494 ASP A OD2 3785 N N . PRO A 495 ? 1.8437 1.7223 1.9422 -0.2401 0.0882 0.1568 495 PRO A N 3786 C CA . PRO A 495 ? 1.8005 1.6513 1.9023 -0.2521 0.0851 0.1532 495 PRO A CA 3787 C C . PRO A 495 ? 1.7415 1.6125 1.8677 -0.2679 0.0763 0.1430 495 PRO A C 3788 O O . PRO A 495 ? 1.6424 1.5552 1.7890 -0.2746 0.0779 0.1431 495 PRO A O 3789 C CB . PRO A 495 ? 1.7535 1.5639 1.8341 -0.2382 0.0776 0.1481 495 PRO A CB 3790 C CG . PRO A 495 ? 1.7101 1.5233 1.7733 -0.2196 0.0805 0.1527 495 PRO A CG 3791 C CD . PRO A 495 ? 1.7220 1.5796 1.7997 -0.2217 0.0823 0.1539 495 PRO A CD 3792 N N . LYS A 496 ? 1.7476 1.5908 1.8723 -0.2731 0.0671 0.1338 496 LYS A N 3793 C CA . LYS A 496 ? 1.6859 1.5454 1.8300 -0.2863 0.0564 0.1220 496 LYS A CA 3794 C C . LYS A 496 ? 1.7808 1.6395 1.9171 -0.2758 0.0436 0.1116 496 LYS A C 3795 O O . LYS A 496 ? 1.8354 1.7115 1.9856 -0.2837 0.0331 0.1014 496 LYS A O 3796 C CB . LYS A 496 ? 1.5689 1.4000 1.7165 -0.2994 0.0531 0.1168 496 LYS A CB 3797 C CG . LYS A 496 ? 1.4389 1.2300 1.5681 -0.2907 0.0430 0.1068 496 LYS A CG 3798 C CD . LYS A 496 ? 1.2752 1.0660 1.4161 -0.3035 0.0304 0.0919 496 LYS A CD 3799 C CE . LYS A 496 ? 1.1185 0.9039 1.2468 -0.2924 0.0177 0.0796 496 LYS A CE 3800 N NZ . LYS A 496 ? 0.9454 0.7725 1.0865 -0.2931 0.0117 0.0764 496 LYS A NZ 3801 N N . ALA A 497 ? 1.7921 1.6309 1.9061 -0.2577 0.0445 0.1142 497 ALA A N 3802 C CA . ALA A 497 ? 1.7430 1.5782 1.8472 -0.2461 0.0337 0.1057 497 ALA A CA 3803 C C . ALA A 497 ? 1.6152 1.4936 1.7330 -0.2415 0.0326 0.1066 497 ALA A C 3804 O O . ALA A 497 ? 1.6119 1.5123 1.7338 -0.2364 0.0426 0.1159 497 ALA A O 3805 C CB . ALA A 497 ? 1.7666 1.5683 1.8442 -0.2272 0.0359 0.1080 497 ALA A CB 3806 N N . PRO A 498 ? 1.4287 1.3219 1.5529 -0.2369 0.0214 0.0935 498 PRO A N 3807 C CA . PRO A 498 ? 1.2309 1.1655 1.3677 -0.2248 0.0194 0.0895 498 PRO A CA 3808 C C . PRO A 498 ? 1.0347 0.9728 1.1589 -0.2034 0.0265 0.0948 498 PRO A C 3809 O O . PRO A 498 ? 1.0398 0.9464 1.1417 -0.1927 0.0272 0.0959 498 PRO A O 3810 C CB . PRO A 498 ? 1.2254 1.1558 1.3590 -0.2202 0.0053 0.0754 498 PRO A CB 3811 C CG . PRO A 498 ? 1.2999 1.2032 1.4322 -0.2389 -0.0003 0.0710 498 PRO A CG 3812 C CD . PRO A 498 ? 1.3764 1.2456 1.4953 -0.2439 0.0094 0.0817 498 PRO A CD 3813 N N . GLN A 499 ? 0.8404 0.8170 0.9791 -0.1974 0.0314 0.0974 499 GLN A N 3814 C CA . GLN A 499 ? 0.7501 0.7316 0.8783 -0.1796 0.0393 0.1027 499 GLN A CA 3815 C C . GLN A 499 ? 0.7218 0.7051 0.8414 -0.1593 0.0324 0.0945 499 GLN A C 3816 O O . GLN A 499 ? 0.7021 0.7082 0.8343 -0.1563 0.0249 0.0871 499 GLN A O 3817 C CB . GLN A 499 ? 0.7828 0.8032 0.9291 -0.1821 0.0495 0.1095 499 GLN A CB 3818 C CG . GLN A 499 ? 0.9555 0.9701 1.1031 -0.1980 0.0605 0.1217 499 GLN A CG 3819 C CD . GLN A 499 ? 1.0841 1.0734 1.2079 -0.1885 0.0689 0.1308 499 GLN A CD 3820 O OE1 . GLN A 499 ? 1.1338 1.1374 1.2522 -0.1732 0.0743 0.1325 499 GLN A OE1 3821 N NE2 . GLN A 499 ? 1.0968 1.0480 1.2060 -0.1972 0.0695 0.1364 499 GLN A NE2 3822 N N . TRP A 500 ? 0.7026 0.6622 0.8010 -0.1456 0.0349 0.0966 500 TRP A N 3823 C CA . TRP A 500 ? 0.5668 0.5257 0.6556 -0.1268 0.0301 0.0905 500 TRP A CA 3824 C C . TRP A 500 ? 0.5264 0.5151 0.6229 -0.1147 0.0356 0.0922 500 TRP A C 3825 O O . TRP A 500 ? 0.5925 0.5796 0.6812 -0.1095 0.0445 0.0986 500 TRP A O 3826 C CB . TRP A 500 ? 0.4707 0.3941 0.5355 -0.1182 0.0312 0.0924 500 TRP A CB 3827 C CG . TRP A 500 ? 0.4119 0.3296 0.4656 -0.1013 0.0261 0.0863 500 TRP A CG 3828 C CD1 . TRP A 500 ? 0.3706 0.3102 0.4316 -0.0911 0.0223 0.0813 500 TRP A CD1 3829 C CD2 . TRP A 500 ? 0.4164 0.3042 0.4501 -0.0929 0.0243 0.0850 500 TRP A CD2 3830 N NE1 . TRP A 500 ? 0.4599 0.3840 0.5063 -0.0781 0.0187 0.0776 500 TRP A NE1 3831 C CE2 . TRP A 500 ? 0.5206 0.4146 0.5509 -0.0791 0.0200 0.0795 500 TRP A CE2 3832 C CE3 . TRP A 500 ? 0.3914 0.2482 0.4104 -0.0953 0.0261 0.0883 500 TRP A CE3 3833 C CZ2 . TRP A 500 ? 0.5725 0.4449 0.5862 -0.0690 0.0179 0.0772 500 TRP A CZ2 3834 C CZ3 . TRP A 500 ? 0.4434 0.2796 0.4463 -0.0838 0.0236 0.0854 500 TRP A CZ3 3835 C CH2 . TRP A 500 ? 0.5162 0.3613 0.5170 -0.0713 0.0198 0.0799 500 TRP A CH2 3836 N N . PRO A 501 ? 0.4139 0.4290 0.5245 -0.1093 0.0299 0.0859 501 PRO A N 3837 C CA . PRO A 501 ? 0.3904 0.4349 0.5105 -0.0974 0.0345 0.0861 501 PRO A CA 3838 C C . PRO A 501 ? 0.4253 0.4588 0.5307 -0.0787 0.0327 0.0829 501 PRO A C 3839 O O . PRO A 501 ? 0.4159 0.4278 0.5093 -0.0744 0.0251 0.0787 501 PRO A O 3840 C CB . PRO A 501 ? 0.3778 0.4521 0.5195 -0.1002 0.0273 0.0806 501 PRO A CB 3841 C CG . PRO A 501 ? 0.4069 0.4614 0.5420 -0.1049 0.0160 0.0748 501 PRO A CG 3842 C CD . PRO A 501 ? 0.4258 0.4455 0.5450 -0.1148 0.0186 0.0783 501 PRO A CD 3843 N N . PRO A 502 ? 0.4783 0.5267 0.5845 -0.0679 0.0398 0.0846 502 PRO A N 3844 C CA . PRO A 502 ? 0.4603 0.4974 0.5532 -0.0512 0.0378 0.0811 502 PRO A CA 3845 C C . PRO A 502 ? 0.4172 0.4598 0.5155 -0.0433 0.0276 0.0742 502 PRO A C 3846 O O . PRO A 502 ? 0.3692 0.4376 0.4854 -0.0443 0.0245 0.0719 502 PRO A O 3847 C CB . PRO A 502 ? 0.4156 0.4727 0.5119 -0.0426 0.0469 0.0829 502 PRO A CB 3848 C CG . PRO A 502 ? 0.4144 0.5026 0.5316 -0.0522 0.0517 0.0854 502 PRO A CG 3849 C CD . PRO A 502 ? 0.4206 0.4967 0.5392 -0.0704 0.0499 0.0892 502 PRO A CD 3850 N N . TYR A 503 ? 0.4154 0.4341 0.4981 -0.0358 0.0225 0.0716 503 TYR A N 3851 C CA . TYR A 503 ? 0.3703 0.3917 0.4542 -0.0257 0.0143 0.0666 503 TYR A CA 3852 C C . TYR A 503 ? 0.4269 0.4671 0.5181 -0.0125 0.0178 0.0652 503 TYR A C 3853 O O . TYR A 503 ? 0.5096 0.5462 0.5939 -0.0068 0.0249 0.0665 503 TYR A O 3854 C CB . TYR A 503 ? 0.2954 0.2871 0.3600 -0.0208 0.0103 0.0651 503 TYR A CB 3855 C CG . TYR A 503 ? 0.5040 0.4953 0.5673 -0.0113 0.0021 0.0613 503 TYR A CG 3856 C CD1 . TYR A 503 ? 0.5179 0.5101 0.5790 0.0021 0.0029 0.0602 503 TYR A CD1 3857 C CD2 . TYR A 503 ? 0.5886 0.5775 0.6518 -0.0159 -0.0065 0.0589 503 TYR A CD2 3858 C CE1 . TYR A 503 ? 0.5001 0.4898 0.5594 0.0105 -0.0044 0.0582 503 TYR A CE1 3859 C CE2 . TYR A 503 ? 0.5923 0.5806 0.6527 -0.0070 -0.0139 0.0568 503 TYR A CE2 3860 C CZ . TYR A 503 ? 0.5705 0.5587 0.6291 0.0060 -0.0126 0.0571 503 TYR A CZ 3861 O OH . TYR A 503 ? 0.5803 0.5657 0.6352 0.0145 -0.0198 0.0563 503 TYR A OH 3862 N N . THR A 504 ? 0.4474 0.5082 0.5527 -0.0073 0.0124 0.0623 504 THR A N 3863 C CA . THR A 504 ? 0.4203 0.4966 0.5324 0.0071 0.0141 0.0600 504 THR A CA 3864 C C . THR A 504 ? 0.5314 0.6018 0.6415 0.0178 0.0043 0.0569 504 THR A C 3865 O O . THR A 504 ? 0.5107 0.5690 0.6149 0.0132 -0.0035 0.0568 504 THR A O 3866 C CB . THR A 504 ? 0.3833 0.4955 0.5177 0.0053 0.0180 0.0600 504 THR A CB 3867 O OG1 . THR A 504 ? 0.4503 0.5789 0.5989 0.0026 0.0089 0.0583 504 THR A OG1 3868 C CG2 . THR A 504 ? 0.3849 0.5025 0.5218 -0.0091 0.0265 0.0646 504 THR A CG2 3869 N N . ALA A 505 ? 0.5296 0.6077 0.6437 0.0322 0.0048 0.0545 505 ALA A N 3870 C CA . ALA A 505 ? 0.5202 0.5901 0.6310 0.0434 -0.0038 0.0529 505 ALA A CA 3871 C C . ALA A 505 ? 0.6165 0.7066 0.7416 0.0426 -0.0126 0.0527 505 ALA A C 3872 O O . ALA A 505 ? 0.6000 0.6788 0.7181 0.0448 -0.0216 0.0532 505 ALA A O 3873 C CB . ALA A 505 ? 0.5889 0.6601 0.7006 0.0590 -0.0007 0.0502 505 ALA A CB 3874 N N . GLY A 506 ? 0.7319 0.8533 0.8769 0.0396 -0.0101 0.0521 506 GLY A N 3875 C CA . GLY A 506 ? 0.7020 0.8483 0.8638 0.0388 -0.0187 0.0514 506 GLY A CA 3876 C C . GLY A 506 ? 0.5791 0.7232 0.7399 0.0221 -0.0241 0.0521 506 GLY A C 3877 O O . GLY A 506 ? 0.6749 0.8038 0.8248 0.0216 -0.0331 0.0519 506 GLY A O 3878 N N . ALA A 507 ? 0.3543 0.5127 0.5257 0.0080 -0.0183 0.0529 507 ALA A N 3879 C CA . ALA A 507 ? 0.3685 0.5254 0.5411 -0.0091 -0.0231 0.0526 507 ALA A CA 3880 C C . ALA A 507 ? 0.4125 0.5320 0.5609 -0.0143 -0.0258 0.0528 507 ALA A C 3881 O O . ALA A 507 ? 0.4699 0.5841 0.6152 -0.0234 -0.0336 0.0508 507 ALA A O 3882 C CB . ALA A 507 ? 0.2753 0.4501 0.4623 -0.0239 -0.0148 0.0545 507 ALA A CB 3883 N N . GLN A 508 ? 0.4129 0.5076 0.5443 -0.0082 -0.0195 0.0545 508 GLN A N 3884 C CA . GLN A 508 ? 0.4431 0.5044 0.5527 -0.0117 -0.0211 0.0546 508 GLN A CA 3885 C C . GLN A 508 ? 0.3770 0.4300 0.4843 -0.0285 -0.0224 0.0540 508 GLN A C 3886 O O . GLN A 508 ? 0.3511 0.3911 0.4489 -0.0318 -0.0301 0.0514 508 GLN A O 3887 C CB . GLN A 508 ? 0.5188 0.5697 0.6182 -0.0031 -0.0308 0.0530 508 GLN A CB 3888 C CG . GLN A 508 ? 0.6251 0.6805 0.7258 0.0134 -0.0319 0.0537 508 GLN A CG 3889 C CD . GLN A 508 ? 0.7619 0.8039 0.8501 0.0201 -0.0411 0.0538 508 GLN A CD 3890 O OE1 . GLN A 508 ? 0.7295 0.7516 0.8022 0.0142 -0.0437 0.0534 508 GLN A OE1 3891 N NE2 . GLN A 508 ? 0.8386 0.8911 0.9327 0.0329 -0.0459 0.0546 508 GLN A NE2 3892 N N . GLN A 509 ? 0.4287 0.4883 0.5441 -0.0392 -0.0148 0.0563 509 GLN A N 3893 C CA . GLN A 509 ? 0.2990 0.3470 0.4120 -0.0556 -0.0158 0.0559 509 GLN A CA 3894 C C . GLN A 509 ? 0.4245 0.4377 0.5159 -0.0565 -0.0117 0.0575 509 GLN A C 3895 O O . GLN A 509 ? 0.4033 0.4062 0.4852 -0.0473 -0.0055 0.0602 509 GLN A O 3896 C CB . GLN A 509 ? 0.3029 0.3718 0.4340 -0.0680 -0.0096 0.0588 509 GLN A CB 3897 C CG . GLN A 509 ? 0.5388 0.6459 0.6934 -0.0664 -0.0128 0.0572 509 GLN A CG 3898 C CD . GLN A 509 ? 0.5093 0.6406 0.6815 -0.0741 -0.0028 0.0614 509 GLN A CD 3899 O OE1 . GLN A 509 ? 0.5589 0.7058 0.7365 -0.0637 0.0044 0.0634 509 GLN A OE1 3900 N NE2 . GLN A 509 ? 0.4697 0.6038 0.6504 -0.0927 -0.0020 0.0626 509 GLN A NE2 3901 N N . TYR A 510 ? 0.4134 0.4089 0.4974 -0.0673 -0.0158 0.0551 510 TYR A N 3902 C CA . TYR A 510 ? 0.3713 0.3340 0.4358 -0.0682 -0.0128 0.0559 510 TYR A CA 3903 C C . TYR A 510 ? 0.4194 0.3699 0.4837 -0.0840 -0.0154 0.0537 510 TYR A C 3904 O O . TYR A 510 ? 0.5129 0.4806 0.5915 -0.0941 -0.0204 0.0510 510 TYR A O 3905 C CB . TYR A 510 ? 0.4102 0.3563 0.4579 -0.0566 -0.0176 0.0528 510 TYR A CB 3906 C CG . TYR A 510 ? 0.4653 0.4110 0.5098 -0.0585 -0.0283 0.0467 510 TYR A CG 3907 C CD1 . TYR A 510 ? 0.4810 0.4500 0.5359 -0.0542 -0.0354 0.0449 510 TYR A CD1 3908 C CD2 . TYR A 510 ? 0.4735 0.3953 0.5031 -0.0633 -0.0316 0.0426 510 TYR A CD2 3909 C CE1 . TYR A 510 ? 0.5721 0.5416 0.6223 -0.0553 -0.0456 0.0397 510 TYR A CE1 3910 C CE2 . TYR A 510 ? 0.5577 0.4796 0.5821 -0.0646 -0.0413 0.0364 510 TYR A CE2 3911 C CZ . TYR A 510 ? 0.6295 0.5756 0.6637 -0.0608 -0.0485 0.0353 510 TYR A CZ 3912 O OH . TYR A 510 ? 0.6388 0.5861 0.6664 -0.0615 -0.0588 0.0295 510 TYR A OH 3913 N N . VAL A 511 ? 0.4049 0.3260 0.4537 -0.0863 -0.0124 0.0546 511 VAL A N 3914 C CA . VAL A 511 ? 0.4088 0.3139 0.4562 -0.1009 -0.0147 0.0522 511 VAL A CA 3915 C C . VAL A 511 ? 0.5605 0.4383 0.5891 -0.0979 -0.0202 0.0459 511 VAL A C 3916 O O . VAL A 511 ? 0.6995 0.5676 0.7149 -0.0851 -0.0198 0.0455 511 VAL A O 3917 C CB . VAL A 511 ? 0.3770 0.2704 0.4242 -0.1084 -0.0054 0.0597 511 VAL A CB 3918 C CG1 . VAL A 511 ? 0.3692 0.2924 0.4349 -0.1119 0.0009 0.0657 511 VAL A CG1 3919 C CG2 . VAL A 511 ? 0.4751 0.3460 0.5044 -0.0969 0.0002 0.0634 511 VAL A CG2 3920 N N . SER A 512 ? 0.5606 0.4268 0.5885 -0.1102 -0.0255 0.0404 512 SER A N 3921 C CA . SER A 512 ? 0.5547 0.3953 0.5644 -0.1078 -0.0307 0.0330 512 SER A CA 3922 C C . SER A 512 ? 0.6662 0.4755 0.6667 -0.1142 -0.0260 0.0344 512 SER A C 3923 O O . SER A 512 ? 0.7322 0.5359 0.7402 -0.1291 -0.0265 0.0341 512 SER A O 3924 C CB . SER A 512 ? 0.4823 0.3314 0.4955 -0.1155 -0.0417 0.0236 512 SER A CB 3925 O OG . SER A 512 ? 0.5501 0.3982 0.5747 -0.1332 -0.0432 0.0220 512 SER A OG 3926 N N . LEU A 513 ? 0.6213 0.4103 0.6060 -0.1027 -0.0216 0.0363 513 LEU A N 3927 C CA . LEU A 513 ? 0.6670 0.4249 0.6412 -0.1053 -0.0174 0.0382 513 LEU A CA 3928 C C . LEU A 513 ? 0.7266 0.4602 0.6869 -0.1061 -0.0235 0.0277 513 LEU A C 3929 O O . LEU A 513 ? 0.7150 0.4408 0.6616 -0.0940 -0.0245 0.0236 513 LEU A O 3930 C CB . LEU A 513 ? 0.6726 0.4234 0.6379 -0.0917 -0.0098 0.0453 513 LEU A CB 3931 C CG . LEU A 513 ? 0.5818 0.3564 0.5578 -0.0880 -0.0038 0.0542 513 LEU A CG 3932 C CD1 . LEU A 513 ? 0.4727 0.2396 0.4380 -0.0742 0.0019 0.0591 513 LEU A CD1 3933 C CD2 . LEU A 513 ? 0.5240 0.3033 0.5117 -0.1012 0.0008 0.0611 513 LEU A CD2 3934 N N . ASP A 514 ? 0.8077 0.5303 0.7716 -0.1208 -0.0277 0.0229 514 ASP A N 3935 C CA . ASP A 514 ? 0.9296 0.6232 0.8792 -0.1227 -0.0325 0.0126 514 ASP A CA 3936 C C . ASP A 514 ? 0.9155 0.5881 0.8697 -0.1388 -0.0319 0.0135 514 ASP A C 3937 O O . ASP A 514 ? 0.9394 0.6200 0.9061 -0.1467 -0.0264 0.0237 514 ASP A O 3938 C CB . ASP A 514 ? 1.0110 0.7149 0.9569 -0.1231 -0.0425 0.0003 514 ASP A CB 3939 C CG . ASP A 514 ? 1.0596 0.7920 1.0239 -0.1359 -0.0488 -0.0011 514 ASP A CG 3940 O OD1 . ASP A 514 ? 1.0082 0.7456 0.9879 -0.1492 -0.0463 0.0043 514 ASP A OD1 3941 O OD2 . ASP A 514 ? 1.0492 0.8002 1.0125 -0.1323 -0.0562 -0.0075 514 ASP A OD2 3942 N N . LEU A 515 ? 0.8355 0.4811 0.7793 -0.1438 -0.0372 0.0031 515 LEU A N 3943 C CA . LEU A 515 ? 0.7142 0.3397 0.6628 -0.1548 -0.0348 0.0037 515 LEU A CA 3944 C C . LEU A 515 ? 0.7281 0.3716 0.6971 -0.1749 -0.0365 0.0072 515 LEU A C 3945 O O . LEU A 515 ? 0.7100 0.3502 0.6892 -0.1815 -0.0296 0.0148 515 LEU A O 3946 C CB . LEU A 515 ? 0.7145 0.3162 0.6517 -0.1535 -0.0399 -0.0104 515 LEU A CB 3947 C CG . LEU A 515 ? 0.6324 0.2171 0.5509 -0.1338 -0.0375 -0.0147 515 LEU A CG 3948 C CD1 . LEU A 515 ? 0.6561 0.2155 0.5674 -0.1332 -0.0395 -0.0257 515 LEU A CD1 3949 C CD2 . LEU A 515 ? 0.6657 0.2516 0.5850 -0.1207 -0.0275 -0.0016 515 LEU A CD2 3950 N N . ARG A 516 ? 0.8697 0.5395 0.8476 -0.1818 -0.0446 0.0017 516 ARG A N 3951 C CA . ARG A 516 ? 0.9337 0.6300 0.9347 -0.1992 -0.0461 0.0049 516 ARG A CA 3952 C C . ARG A 516 ? 0.8591 0.5788 0.8722 -0.1952 -0.0362 0.0199 516 ARG A C 3953 O O . ARG A 516 ? 0.9007 0.6279 0.9065 -0.1779 -0.0318 0.0245 516 ARG A O 3954 C CB . ARG A 516 ? 1.0927 0.8196 1.1019 -0.2014 -0.0569 -0.0053 516 ARG A CB 3955 C CG . ARG A 516 ? 1.2534 0.9612 1.2492 -0.2047 -0.0677 -0.0215 516 ARG A CG 3956 C CD . ARG A 516 ? 1.4079 1.1269 1.4200 -0.2263 -0.0766 -0.0292 516 ARG A CD 3957 N NE . ARG A 516 ? 1.4895 1.2553 1.5226 -0.2290 -0.0803 -0.0266 516 ARG A NE 3958 C CZ . ARG A 516 ? 1.5009 1.2901 1.5347 -0.2263 -0.0913 -0.0362 516 ARG A CZ 3959 N NH1 . ARG A 516 ? 1.4951 1.2655 1.5086 -0.2215 -0.0994 -0.0492 516 ARG A NH1 3960 N NH2 . ARG A 516 ? 1.4581 1.2897 1.5123 -0.2276 -0.0942 -0.0327 516 ARG A NH2 3961 N N . PRO A 517 ? 0.8171 0.5490 0.8486 -0.2116 -0.0324 0.0273 517 PRO A N 3962 C CA . PRO A 517 ? 0.8439 0.6007 0.8875 -0.2091 -0.0225 0.0409 517 PRO A CA 3963 C C . PRO A 517 ? 0.8540 0.6489 0.9048 -0.1955 -0.0234 0.0409 517 PRO A C 3964 O O . PRO A 517 ? 0.8098 0.6175 0.8602 -0.1908 -0.0326 0.0311 517 PRO A O 3965 C CB . PRO A 517 ? 0.8210 0.5908 0.8860 -0.2321 -0.0211 0.0448 517 PRO A CB 3966 C CG . PRO A 517 ? 0.5849 0.3419 0.6511 -0.2458 -0.0321 0.0316 517 PRO A CG 3967 C CD . PRO A 517 ? 0.5957 0.3175 0.6371 -0.2321 -0.0356 0.0229 517 PRO A CD 3968 N N . LEU A 518 ? 0.8791 0.6905 0.9352 -0.1889 -0.0139 0.0522 518 LEU A N 3969 C CA . LEU A 518 ? 0.7715 0.6150 0.8333 -0.1745 -0.0132 0.0533 518 LEU A CA 3970 C C . LEU A 518 ? 0.6919 0.5701 0.7725 -0.1802 -0.0211 0.0469 518 LEU A C 3971 O O . LEU A 518 ? 0.7209 0.6178 0.8210 -0.1960 -0.0209 0.0485 518 LEU A O 3972 C CB . LEU A 518 ? 0.7063 0.5644 0.7740 -0.1705 -0.0016 0.0656 518 LEU A CB 3973 C CG . LEU A 518 ? 0.6112 0.4474 0.6601 -0.1567 0.0058 0.0723 518 LEU A CG 3974 C CD1 . LEU A 518 ? 0.5377 0.3942 0.5942 -0.1544 0.0163 0.0832 518 LEU A CD1 3975 C CD2 . LEU A 518 ? 0.5761 0.4092 0.6121 -0.1386 0.0012 0.0661 518 LEU A CD2 3976 N N . GLU A 519 ? 0.5641 0.4514 0.6390 -0.1670 -0.0281 0.0403 519 GLU A N 3977 C CA . GLU A 519 ? 0.5793 0.5002 0.6697 -0.1681 -0.0366 0.0347 519 GLU A CA 3978 C C . GLU A 519 ? 0.4884 0.4314 0.5812 -0.1505 -0.0325 0.0398 519 GLU A C 3979 O O . GLU A 519 ? 0.3973 0.3243 0.4732 -0.1358 -0.0297 0.0413 519 GLU A O 3980 C CB . GLU A 519 ? 0.7748 0.6824 0.8520 -0.1664 -0.0485 0.0231 519 GLU A CB 3981 C CG . GLU A 519 ? 0.8138 0.7501 0.9047 -0.1719 -0.0605 0.0151 519 GLU A CG 3982 C CD . GLU A 519 ? 0.8249 0.7456 0.8968 -0.1667 -0.0712 0.0043 519 GLU A CD 3983 O OE1 . GLU A 519 ? 0.8145 0.6999 0.8673 -0.1671 -0.0701 0.0006 519 GLU A OE1 3984 O OE2 . GLU A 519 ? 0.7733 0.7170 0.8487 -0.1613 -0.0804 -0.0003 519 GLU A OE2 3985 N N . VAL A 520 ? 0.4769 0.4565 0.5913 -0.1518 -0.0317 0.0424 520 VAL A N 3986 C CA . VAL A 520 ? 0.4669 0.4664 0.5838 -0.1345 -0.0286 0.0459 520 VAL A CA 3987 C C . VAL A 520 ? 0.4340 0.4501 0.5525 -0.1251 -0.0397 0.0394 520 VAL A C 3988 O O . VAL A 520 ? 0.4027 0.4392 0.5350 -0.1333 -0.0484 0.0344 520 VAL A O 3989 C CB . VAL A 520 ? 0.5046 0.5351 0.6425 -0.1370 -0.0199 0.0528 520 VAL A CB 3990 C CG1 . VAL A 520 ? 0.3440 0.3982 0.4871 -0.1190 -0.0194 0.0537 520 VAL A CG1 3991 C CG2 . VAL A 520 ? 0.5601 0.5727 0.6909 -0.1409 -0.0077 0.0611 520 VAL A CG2 3992 N N . ARG A 521 ? 0.3533 0.3606 0.4574 -0.1081 -0.0398 0.0399 521 ARG A N 3993 C CA . ARG A 521 ? 0.4344 0.4543 0.5373 -0.0981 -0.0499 0.0355 521 ARG A CA 3994 C C . ARG A 521 ? 0.4832 0.5195 0.5908 -0.0819 -0.0463 0.0400 521 ARG A C 3995 O O . ARG A 521 ? 0.5146 0.5402 0.6154 -0.0745 -0.0371 0.0448 521 ARG A O 3996 C CB . ARG A 521 ? 0.3868 0.3779 0.4656 -0.0940 -0.0555 0.0305 521 ARG A CB 3997 C CG . ARG A 521 ? 0.4983 0.4746 0.5725 -0.1092 -0.0612 0.0236 521 ARG A CG 3998 C CD . ARG A 521 ? 0.7376 0.6905 0.7884 -0.1035 -0.0673 0.0176 521 ARG A CD 3999 N NE . ARG A 521 ? 0.9229 0.8520 0.9649 -0.1162 -0.0694 0.0112 521 ARG A NE 4000 C CZ . ARG A 521 ? 1.0470 0.9447 1.0673 -0.1123 -0.0674 0.0084 521 ARG A CZ 4001 N NH1 . ARG A 521 ? 1.0622 0.9509 1.0686 -0.0973 -0.0632 0.0119 521 ARG A NH1 4002 N NH2 . ARG A 521 ? 1.0830 0.9588 1.0963 -0.1235 -0.0697 0.0017 521 ARG A NH2 4003 N N . ARG A 522 ? 0.5013 0.5642 0.6210 -0.0762 -0.0540 0.0381 522 ARG A N 4004 C CA . ARG A 522 ? 0.4330 0.5119 0.5584 -0.0601 -0.0521 0.0415 522 ARG A CA 4005 C C . ARG A 522 ? 0.5196 0.5840 0.6270 -0.0475 -0.0595 0.0401 522 ARG A C 4006 O O . ARG A 522 ? 0.6509 0.7176 0.7545 -0.0498 -0.0702 0.0359 522 ARG A O 4007 C CB . ARG A 522 ? 0.3903 0.5096 0.5429 -0.0619 -0.0552 0.0410 522 ARG A CB 4008 C CG . ARG A 522 ? 0.5345 0.6746 0.6960 -0.0445 -0.0560 0.0430 522 ARG A CG 4009 C CD . ARG A 522 ? 0.7544 0.9305 0.9429 -0.0469 -0.0506 0.0444 522 ARG A CD 4010 N NE . ARG A 522 ? 0.9690 1.1758 1.1737 -0.0335 -0.0565 0.0437 522 ARG A NE 4011 C CZ . ARG A 522 ? 1.0523 1.2555 1.2510 -0.0144 -0.0568 0.0453 522 ARG A CZ 4012 N NH1 . ARG A 522 ? 0.9750 1.1461 1.1520 -0.0068 -0.0518 0.0474 522 ARG A NH1 4013 N NH2 . ARG A 522 ? 1.1421 1.3740 1.3571 -0.0026 -0.0626 0.0447 522 ARG A NH2 4014 N N . GLY A 523 ? 0.4426 0.4907 0.5376 -0.0353 -0.0536 0.0436 523 GLY A N 4015 C CA . GLY A 523 ? 0.4673 0.5022 0.5463 -0.0233 -0.0590 0.0439 523 GLY A CA 4016 C C . GLY A 523 ? 0.4952 0.4974 0.5507 -0.0242 -0.0568 0.0433 523 GLY A C 4017 O O . GLY A 523 ? 0.6064 0.5980 0.6528 -0.0328 -0.0613 0.0392 523 GLY A O 4018 N N . LEU A 524 ? 0.3545 0.3416 0.4003 -0.0149 -0.0502 0.0468 524 LEU A N 4019 C CA . LEU A 524 ? 0.4618 0.4206 0.4875 -0.0148 -0.0469 0.0467 524 LEU A CA 4020 C C . LEU A 524 ? 0.5052 0.4541 0.5161 -0.0055 -0.0518 0.0476 524 LEU A C 4021 O O . LEU A 524 ? 0.3667 0.3065 0.3716 0.0036 -0.0478 0.0510 524 LEU A O 4022 C CB . LEU A 524 ? 0.5685 0.5169 0.5926 -0.0119 -0.0364 0.0499 524 LEU A CB 4023 C CG . LEU A 524 ? 0.5943 0.5161 0.6006 -0.0128 -0.0323 0.0496 524 LEU A CG 4024 C CD1 . LEU A 524 ? 0.7345 0.6466 0.7358 -0.0242 -0.0345 0.0456 524 LEU A CD1 4025 C CD2 . LEU A 524 ? 0.5121 0.4278 0.5187 -0.0104 -0.0231 0.0526 524 LEU A CD2 4026 N N . ARG A 525 ? 0.7056 0.6561 0.7100 -0.0086 -0.0605 0.0443 525 ARG A N 4027 C CA . ARG A 525 ? 0.6764 0.6197 0.6656 -0.0007 -0.0657 0.0459 525 ARG A CA 4028 C C . ARG A 525 ? 0.5601 0.5140 0.5568 0.0113 -0.0668 0.0513 525 ARG A C 4029 O O . ARG A 525 ? 0.3742 0.3149 0.3612 0.0195 -0.0638 0.0555 525 ARG A O 4030 C CB . ARG A 525 ? 0.6243 0.5424 0.5948 0.0004 -0.0597 0.0463 525 ARG A CB 4031 C CG . ARG A 525 ? 0.7023 0.6118 0.6540 0.0036 -0.0648 0.0460 525 ARG A CG 4032 C CD . ARG A 525 ? 0.7820 0.6860 0.7236 -0.0051 -0.0689 0.0388 525 ARG A CD 4033 N NE . ARG A 525 ? 0.8520 0.7484 0.7735 -0.0008 -0.0727 0.0388 525 ARG A NE 4034 C CZ . ARG A 525 ? 0.8926 0.8004 0.8096 0.0028 -0.0819 0.0399 525 ARG A CZ 4035 N NH1 . ARG A 525 ? 0.9791 0.9075 0.9118 0.0030 -0.0889 0.0405 525 ARG A NH1 4036 N NH2 . ARG A 525 ? 0.8309 0.7309 0.7275 0.0066 -0.0840 0.0407 525 ARG A NH2 4037 N N . ALA A 526 ? 0.5820 0.5601 0.5970 0.0119 -0.0712 0.0509 526 ALA A N 4038 C CA . ALA A 526 ? 0.3153 0.3062 0.3426 0.0232 -0.0709 0.0549 526 ALA A CA 4039 C C . ALA A 526 ? 0.4852 0.4728 0.5032 0.0346 -0.0777 0.0592 526 ALA A C 4040 O O . ALA A 526 ? 0.3858 0.3680 0.4041 0.0451 -0.0751 0.0634 526 ALA A O 4041 C CB . ALA A 526 ? 0.4135 0.4340 0.4635 0.0205 -0.0742 0.0527 526 ALA A CB 4042 N N . GLN A 527 ? 0.6193 0.6100 0.6285 0.0321 -0.0868 0.0580 527 GLN A N 4043 C CA . GLN A 527 ? 0.5529 0.5449 0.5535 0.0423 -0.0953 0.0628 527 GLN A CA 4044 C C . GLN A 527 ? 0.5877 0.5529 0.5661 0.0460 -0.0914 0.0674 527 GLN A C 4045 O O . GLN A 527 ? 0.3595 0.3181 0.3323 0.0566 -0.0930 0.0740 527 GLN A O 4046 C CB . GLN A 527 ? 0.4043 0.4113 0.4030 0.0369 -0.1066 0.0590 527 GLN A CB 4047 C CG . GLN A 527 ? 0.3910 0.4260 0.4137 0.0305 -0.1100 0.0539 527 GLN A CG 4048 C CD . GLN A 527 ? 0.4402 0.4976 0.4818 0.0422 -0.1136 0.0575 527 GLN A CD 4049 O OE1 . GLN A 527 ? 0.3573 0.4109 0.3923 0.0555 -0.1177 0.0636 527 GLN A OE1 4050 N NE2 . GLN A 527 ? 0.3410 0.4219 0.4063 0.0376 -0.1119 0.0541 527 GLN A NE2 4051 N N . ALA A 528 ? 0.5353 0.4852 0.5020 0.0371 -0.0858 0.0639 528 ALA A N 4052 C CA . ALA A 528 ? 0.4694 0.3962 0.4173 0.0390 -0.0803 0.0674 528 ALA A CA 4053 C C . ALA A 528 ? 0.5272 0.4439 0.4804 0.0450 -0.0722 0.0716 528 ALA A C 4054 O O . ALA A 528 ? 0.5258 0.4295 0.4691 0.0515 -0.0710 0.0776 528 ALA A O 4055 C CB . ALA A 528 ? 0.3550 0.2705 0.2931 0.0289 -0.0755 0.0617 528 ALA A CB 4056 N N . CYS A 529 ? 0.6220 0.5447 0.5905 0.0423 -0.0667 0.0683 529 CYS A N 4057 C CA . CYS A 529 ? 0.6269 0.5401 0.5996 0.0468 -0.0587 0.0702 529 CYS A CA 4058 C C . CYS A 529 ? 0.6147 0.5311 0.5941 0.0586 -0.0616 0.0748 529 CYS A C 4059 O O . CYS A 529 ? 0.5920 0.4942 0.5684 0.0637 -0.0569 0.0775 529 CYS A O 4060 C CB . CYS A 529 ? 0.3117 0.2310 0.2966 0.0407 -0.0521 0.0656 529 CYS A CB 4061 S SG . CYS A 529 ? 0.9436 0.8493 0.9172 0.0290 -0.0470 0.0616 529 CYS A SG 4062 N N . ALA A 530 ? 0.6647 0.5993 0.6531 0.0631 -0.0697 0.0753 530 ALA A N 4063 C CA . ALA A 530 ? 0.3405 0.2776 0.3344 0.0760 -0.0736 0.0798 530 ALA A CA 4064 C C . ALA A 530 ? 0.5329 0.4483 0.5086 0.0807 -0.0749 0.0869 530 ALA A C 4065 O O . ALA A 530 ? 0.5507 0.4536 0.5263 0.0889 -0.0729 0.0907 530 ALA A O 4066 C CB . ALA A 530 ? 0.3455 0.3071 0.3505 0.0799 -0.0834 0.0795 530 ALA A CB 4067 N N . PHE A 531 ? 0.5790 0.4893 0.5388 0.0752 -0.0781 0.0884 531 PHE A N 4068 C CA . PHE A 531 ? 0.5837 0.4748 0.5247 0.0783 -0.0785 0.0960 531 PHE A CA 4069 C C . PHE A 531 ? 0.5510 0.4217 0.4877 0.0759 -0.0685 0.0968 531 PHE A C 4070 O O . PHE A 531 ? 0.4968 0.3529 0.4304 0.0822 -0.0672 0.1027 531 PHE A O 4071 C CB . PHE A 531 ? 0.5036 0.3952 0.4274 0.0720 -0.0824 0.0960 531 PHE A CB 4072 C CG . PHE A 531 ? 0.5125 0.3840 0.4157 0.0722 -0.0794 0.1031 531 PHE A CG 4073 C CD1 . PHE A 531 ? 0.5591 0.4224 0.4541 0.0810 -0.0836 0.1130 531 PHE A CD1 4074 C CD2 . PHE A 531 ? 0.4916 0.3528 0.3842 0.0638 -0.0718 0.1004 531 PHE A CD2 4075 C CE1 . PHE A 531 ? 0.5164 0.3617 0.3927 0.0801 -0.0799 0.1206 531 PHE A CE1 4076 C CE2 . PHE A 531 ? 0.4884 0.3339 0.3634 0.0635 -0.0681 0.1071 531 PHE A CE2 4077 C CZ . PHE A 531 ? 0.5068 0.3446 0.3737 0.0710 -0.0718 0.1174 531 PHE A CZ 4078 N N . TRP A 532 ? 0.4641 0.3339 0.4014 0.0667 -0.0618 0.0907 532 TRP A N 4079 C CA . TRP A 532 ? 0.4188 0.2719 0.3512 0.0631 -0.0528 0.0907 532 TRP A CA 4080 C C . TRP A 532 ? 0.4317 0.2801 0.3756 0.0679 -0.0487 0.0899 532 TRP A C 4081 O O . TRP A 532 ? 0.4417 0.2737 0.3805 0.0690 -0.0447 0.0932 532 TRP A O 4082 C CB . TRP A 532 ? 0.3421 0.1969 0.2731 0.0535 -0.0477 0.0842 532 TRP A CB 4083 C CG . TRP A 532 ? 0.4790 0.3314 0.3945 0.0485 -0.0493 0.0842 532 TRP A CG 4084 C CD1 . TRP A 532 ? 0.5422 0.4045 0.4560 0.0435 -0.0533 0.0791 532 TRP A CD1 4085 C CD2 . TRP A 532 ? 0.3958 0.2353 0.2947 0.0480 -0.0468 0.0891 532 TRP A CD2 4086 N NE1 . TRP A 532 ? 0.5614 0.4172 0.4576 0.0407 -0.0535 0.0796 532 TRP A NE1 4087 C CE2 . TRP A 532 ? 0.4787 0.3217 0.3655 0.0436 -0.0491 0.0861 532 TRP A CE2 4088 C CE3 . TRP A 532 ? 0.3963 0.2219 0.2896 0.0503 -0.0425 0.0955 532 TRP A CE3 4089 C CZ2 . TRP A 532 ? 0.5383 0.3729 0.4072 0.0423 -0.0467 0.0893 532 TRP A CZ2 4090 C CZ3 . TRP A 532 ? 0.4655 0.2832 0.3421 0.0479 -0.0399 0.0997 532 TRP A CZ3 4091 C CH2 . TRP A 532 ? 0.5858 0.4089 0.4502 0.0444 -0.0417 0.0966 532 TRP A CH2 4092 N N . ASN A 533 ? 0.4546 0.3180 0.4140 0.0703 -0.0494 0.0852 533 ASN A N 4093 C CA . ASN A 533 ? 0.4576 0.3194 0.4281 0.0745 -0.0446 0.0822 533 ASN A CA 4094 C C . ASN A 533 ? 0.5234 0.3846 0.5007 0.0864 -0.0487 0.0849 533 ASN A C 4095 O O . ASN A 533 ? 0.6343 0.4842 0.6142 0.0909 -0.0451 0.0839 533 ASN A O 4096 C CB . ASN A 533 ? 0.4790 0.3573 0.4618 0.0702 -0.0412 0.0756 533 ASN A CB 4097 C CG . ASN A 533 ? 0.5628 0.4375 0.5392 0.0595 -0.0361 0.0728 533 ASN A CG 4098 O OD1 . ASN A 533 ? 0.5195 0.3789 0.4850 0.0564 -0.0328 0.0742 533 ASN A OD1 4099 N ND2 . ASN A 533 ? 0.5940 0.4829 0.5781 0.0540 -0.0354 0.0689 533 ASN A ND2 4100 N N . ARG A 534 ? 0.4817 0.3547 0.4619 0.0921 -0.0566 0.0878 534 ARG A N 4101 C CA . ARG A 534 ? 0.4733 0.3465 0.4605 0.1053 -0.0613 0.0906 534 ARG A CA 4102 C C . ARG A 534 ? 0.5058 0.3615 0.4793 0.1107 -0.0666 0.0999 534 ARG A C 4103 O O . ARG A 534 ? 0.5085 0.3492 0.4821 0.1156 -0.0645 0.1025 534 ARG A O 4104 C CB . ARG A 534 ? 0.4646 0.3656 0.4672 0.1103 -0.0670 0.0880 534 ARG A CB 4105 C CG . ARG A 534 ? 0.5654 0.4854 0.5809 0.1031 -0.0617 0.0802 534 ARG A CG 4106 C CD . ARG A 534 ? 0.7019 0.6215 0.7276 0.1087 -0.0549 0.0755 534 ARG A CD 4107 N NE . ARG A 534 ? 0.7864 0.7257 0.8286 0.1202 -0.0581 0.0737 534 ARG A NE 4108 C CZ . ARG A 534 ? 0.8338 0.8019 0.8913 0.1181 -0.0587 0.0701 534 ARG A CZ 4109 N NH1 . ARG A 534 ? 0.7650 0.7423 0.8224 0.1043 -0.0565 0.0681 534 ARG A NH1 4110 N NH2 . ARG A 534 ? 0.8194 0.8072 0.8931 0.1297 -0.0613 0.0684 534 ARG A NH2 4111 N N . PHE A 535 ? 0.5418 0.4025 0.5051 0.1073 -0.0722 0.1042 535 PHE A N 4112 C CA . PHE A 535 ? 0.5306 0.3789 0.4809 0.1130 -0.0777 0.1140 535 PHE A CA 4113 C C . PHE A 535 ? 0.4882 0.3193 0.4276 0.1035 -0.0694 0.1178 535 PHE A C 4114 O O . PHE A 535 ? 0.4409 0.2622 0.3830 0.1050 -0.0667 0.1220 535 PHE A O 4115 C CB . PHE A 535 ? 0.5564 0.4198 0.4999 0.1133 -0.0870 0.1169 535 PHE A CB 4116 C CG . PHE A 535 ? 0.4377 0.2923 0.3685 0.1172 -0.0907 0.1270 535 PHE A CG 4117 C CD1 . PHE A 535 ? 0.5531 0.4124 0.4927 0.1277 -0.0955 0.1314 535 PHE A CD1 4118 C CD2 . PHE A 535 ? 0.4996 0.3441 0.4124 0.1088 -0.0874 0.1314 535 PHE A CD2 4119 C CE1 . PHE A 535 ? 0.5219 0.3744 0.4519 0.1293 -0.0977 0.1409 535 PHE A CE1 4120 C CE2 . PHE A 535 ? 0.4647 0.3040 0.3679 0.1105 -0.0891 0.1407 535 PHE A CE2 4121 C CZ . PHE A 535 ? 0.4782 0.3209 0.3898 0.1205 -0.0945 0.1459 535 PHE A CZ 4122 N N . LEU A 536 ? 0.4594 0.2874 0.3872 0.0939 -0.0661 0.1163 536 LEU A N 4123 C CA . LEU A 536 ? 0.4955 0.3116 0.4143 0.0851 -0.0585 0.1196 536 LEU A CA 4124 C C . LEU A 536 ? 0.5813 0.3869 0.5101 0.0832 -0.0515 0.1195 536 LEU A C 4125 O O . LEU A 536 ? 0.6687 0.4656 0.5929 0.0805 -0.0496 0.1260 536 LEU A O 4126 C CB . LEU A 536 ? 0.5092 0.3243 0.4188 0.0757 -0.0539 0.1153 536 LEU A CB 4127 C CG . LEU A 536 ? 0.5784 0.3851 0.4790 0.0677 -0.0469 0.1190 536 LEU A CG 4128 C CD1 . LEU A 536 ? 0.7014 0.5068 0.5889 0.0700 -0.0512 0.1283 536 LEU A CD1 4129 C CD2 . LEU A 536 ? 0.4640 0.2703 0.3564 0.0597 -0.0418 0.1143 536 LEU A CD2 4130 N N . PRO A 537 ? 0.5806 0.3866 0.5224 0.0845 -0.0484 0.1122 537 PRO A N 4131 C CA . PRO A 537 ? 0.5336 0.3286 0.4830 0.0822 -0.0432 0.1115 537 PRO A CA 4132 C C . PRO A 537 ? 0.6190 0.4070 0.5722 0.0895 -0.0467 0.1174 537 PRO A C 4133 O O . PRO A 537 ? 0.7082 0.4840 0.6611 0.0854 -0.0435 0.1212 537 PRO A O 4134 C CB . PRO A 537 ? 0.4125 0.2108 0.3729 0.0838 -0.0405 0.1021 537 PRO A CB 4135 C CG . PRO A 537 ? 0.3951 0.2035 0.3512 0.0817 -0.0411 0.0988 537 PRO A CG 4136 C CD . PRO A 537 ? 0.4352 0.2498 0.3835 0.0862 -0.0485 0.1045 537 PRO A CD 4137 N N . LYS A 538 ? 0.5620 0.3575 0.5191 0.1003 -0.0534 0.1185 538 LYS A N 4138 C CA . LYS A 538 ? 0.6211 0.4101 0.5822 0.1085 -0.0572 0.1243 538 LYS A CA 4139 C C . LYS A 538 ? 0.6993 0.4809 0.6481 0.1047 -0.0585 0.1353 538 LYS A C 4140 O O . LYS A 538 ? 0.7784 0.5476 0.7284 0.1070 -0.0587 0.1416 538 LYS A O 4141 C CB . LYS A 538 ? 0.4491 0.2519 0.4172 0.1213 -0.0651 0.1236 538 LYS A CB 4142 C CG . LYS A 538 ? 0.4497 0.2600 0.4320 0.1277 -0.0640 0.1138 538 LYS A CG 4143 C CD . LYS A 538 ? 0.4770 0.3085 0.4656 0.1378 -0.0718 0.1125 538 LYS A CD 4144 C CE . LYS A 538 ? 0.5688 0.4101 0.5736 0.1469 -0.0708 0.1037 538 LYS A CE 4145 N NZ . LYS A 538 ? 0.6281 0.4584 0.6407 0.1547 -0.0696 0.1033 538 LYS A NZ 4146 N N . LEU A 539 ? 0.5349 0.3234 0.4710 0.0991 -0.0592 0.1374 539 LEU A N 4147 C CA . LEU A 539 ? 0.5310 0.3146 0.4528 0.0948 -0.0597 0.1473 539 LEU A CA 4148 C C . LEU A 539 ? 0.6344 0.4057 0.5541 0.0840 -0.0514 0.1489 539 LEU A C 4149 O O . LEU A 539 ? 0.6890 0.4486 0.6081 0.0833 -0.0506 0.1567 539 LEU A O 4150 C CB . LEU A 539 ? 0.4943 0.2897 0.4020 0.0931 -0.0634 0.1475 539 LEU A CB 4151 C CG . LEU A 539 ? 0.5067 0.2985 0.3966 0.0866 -0.0619 0.1554 539 LEU A CG 4152 C CD1 . LEU A 539 ? 0.5085 0.2972 0.3918 0.0923 -0.0677 0.1668 539 LEU A CD1 4153 C CD2 . LEU A 539 ? 0.5899 0.3919 0.4668 0.0841 -0.0641 0.1516 539 LEU A CD2 4154 N N . LEU A 540 ? 0.7448 0.5193 0.6638 0.0759 -0.0458 0.1420 540 LEU A N 4155 C CA . LEU A 540 ? 0.7561 0.5222 0.6752 0.0658 -0.0385 0.1423 540 LEU A CA 4156 C C . LEU A 540 ? 0.8022 0.5550 0.7328 0.0661 -0.0366 0.1435 540 LEU A C 4157 O O . LEU A 540 ? 0.8694 0.6123 0.7977 0.0601 -0.0334 0.1498 540 LEU A O 4158 C CB . LEU A 540 ? 0.5763 0.3488 0.4979 0.0595 -0.0337 0.1326 540 LEU A CB 4159 C CG . LEU A 540 ? 0.6536 0.4346 0.5608 0.0568 -0.0339 0.1327 540 LEU A CG 4160 C CD1 . LEU A 540 ? 0.6051 0.3915 0.5147 0.0516 -0.0295 0.1235 540 LEU A CD1 4161 C CD2 . LEU A 540 ? 0.7491 0.5260 0.6423 0.0517 -0.0319 0.1418 540 LEU A CD2 4162 N N . SER A 541 ? 0.6622 0.4144 0.6044 0.0735 -0.0384 0.1374 541 SER A N 4163 C CA . SER A 541 ? 0.6211 0.3593 0.5732 0.0759 -0.0371 0.1374 541 SER A CA 4164 C C . SER A 541 ? 0.6296 0.3564 0.5768 0.0781 -0.0394 0.1493 541 SER A C 4165 O O . SER A 541 ? 0.6340 0.3470 0.5828 0.0731 -0.0357 0.1524 541 SER A O 4166 C CB . SER A 541 ? 0.7004 0.4415 0.6630 0.0861 -0.0398 0.1297 541 SER A CB 4167 O OG . SER A 541 ? 0.7638 0.4899 0.7339 0.0909 -0.0395 0.1306 541 SER A OG 4168 N N . ALA A 542 ? 0.6999 0.4325 0.6408 0.0857 -0.0458 0.1559 542 ALA A N 4169 C CA . ALA A 542 ? 0.7152 0.4381 0.6503 0.0891 -0.0492 0.1682 542 ALA A CA 4170 C C . ALA A 542 ? 0.7418 0.4610 0.6642 0.0789 -0.0459 0.1771 542 ALA A C 4171 O O . ALA A 542 ? 0.7970 0.5021 0.7183 0.0763 -0.0441 0.1850 542 ALA A O 4172 C CB . ALA A 542 ? 0.6683 0.4010 0.5999 0.1004 -0.0579 0.1724 542 ALA A CB 4173 N N . THR A 543 ? 0.7928 0.5238 0.7053 0.0733 -0.0448 0.1760 543 THR A N 4174 C CA . THR A 543 ? 0.9107 0.6398 0.8104 0.0637 -0.0409 0.1836 543 THR A CA 4175 C C . THR A 543 ? 0.9462 0.6659 0.8530 0.0536 -0.0333 0.1811 543 THR A C 4176 O O . THR A 543 ? 0.9884 0.7027 0.8879 0.0458 -0.0297 0.1890 543 THR A O 4177 C CB . THR A 543 ? 0.9528 0.6963 0.8402 0.0602 -0.0403 0.1804 543 THR A CB 4178 O OG1 . THR A 543 ? 0.9024 0.6499 0.7971 0.0540 -0.0348 0.1694 543 THR A OG1 4179 C CG2 . THR A 543 ? 0.9490 0.7042 0.8319 0.0698 -0.0480 0.1783 543 THR A CG2 4180 N N . ASP A 544 ? 0.9281 0.6468 0.8486 0.0538 -0.0311 0.1700 544 ASP A N 4181 C CA . ASP A 544 ? 0.9160 0.6253 0.8447 0.0455 -0.0251 0.1668 544 ASP A CA 4182 C C . ASP A 544 ? 0.9576 0.6490 0.8911 0.0473 -0.0249 0.1735 544 ASP A C 4183 O O . ASP A 544 ? 1.0963 0.7785 1.0293 0.0388 -0.0205 0.1787 544 ASP A O 4184 C CB . ASP A 544 ? 0.9577 0.6711 0.8982 0.0458 -0.0234 0.1530 544 ASP A CB 4185 C CG . ASP A 544 ? 1.0189 0.7450 0.9558 0.0390 -0.0205 0.1472 544 ASP A CG 4186 O OD1 . ASP A 544 ? 1.1000 0.8349 1.0251 0.0382 -0.0215 0.1514 544 ASP A OD1 4187 O OD2 . ASP A 544 ? 0.9520 0.6783 0.8968 0.0347 -0.0174 0.1385 544 ASP A OD2 4188 N N . THR A 545 ? 0.9350 0.6208 0.8732 0.0584 -0.0295 0.1737 545 THR A N 4189 C CA . THR A 545 ? 0.9842 0.6506 0.9263 0.0613 -0.0294 0.1804 545 THR A CA 4190 C C . THR A 545 ? 1.0326 0.6948 0.9630 0.0624 -0.0325 0.1960 545 THR A C 4191 O O . THR A 545 ? 1.0490 0.6947 0.9810 0.0659 -0.0333 0.2038 545 THR A O 4192 C CB . THR A 545 ? 0.8086 0.4682 0.7614 0.0731 -0.0324 0.1736 545 THR A CB 4193 O OG1 . THR A 545 ? 0.7459 0.4077 0.6951 0.0845 -0.0397 0.1806 545 THR A OG1 4194 C CG2 . THR A 545 ? 0.8453 0.5170 0.8054 0.0745 -0.0316 0.1589 545 THR A CG2 4195 N N . LEU A 546 ? 1.0674 0.7437 0.9851 0.0596 -0.0342 0.2004 546 LEU A N 4196 C CA . LEU A 546 ? 1.0446 0.7193 0.9480 0.0593 -0.0369 0.2151 546 LEU A CA 4197 C C . LEU A 546 ? 1.1262 0.8011 1.0213 0.0459 -0.0306 0.2206 546 LEU A C 4198 O O . LEU A 546 ? 1.1370 0.8038 1.0235 0.0424 -0.0299 0.2336 546 LEU A O 4199 C CB . LEU A 546 ? 0.9741 0.6646 0.8665 0.0664 -0.0438 0.2163 546 LEU A CB 4200 C CG . LEU A 546 ? 1.0418 0.7300 0.9216 0.0726 -0.0505 0.2304 546 LEU A CG 4201 C CD1 . LEU A 546 ? 1.0222 0.7265 0.8962 0.0821 -0.0586 0.2280 546 LEU A CD1 4202 C CD2 . LEU A 546 ? 1.0941 0.7805 0.9574 0.0631 -0.0474 0.2424 546 LEU A CD2 4203 N N . ASP A 547 ? 1.2124 0.8967 1.1100 0.0384 -0.0259 0.2110 547 ASP A N 4204 C CA . ASP A 547 ? 1.3460 1.0312 1.2377 0.0257 -0.0195 0.2150 547 ASP A CA 4205 C C . ASP A 547 ? 1.4254 1.0957 1.3296 0.0188 -0.0141 0.2154 547 ASP A C 4206 O O . ASP A 547 ? 1.4980 1.1669 1.3992 0.0078 -0.0086 0.2207 547 ASP A O 4207 C CB . ASP A 547 ? 1.3722 1.0732 1.2603 0.0209 -0.0168 0.2056 547 ASP A CB 4208 C CG . ASP A 547 ? 1.4624 1.1751 1.3311 0.0214 -0.0182 0.2111 547 ASP A CG 4209 O OD1 . ASP A 547 ? 1.4853 1.1941 1.3415 0.0197 -0.0186 0.2238 547 ASP A OD1 4210 O OD2 . ASP A 547 ? 1.4550 1.1802 1.3202 0.0235 -0.0187 0.2030 547 ASP A OD2 4211 N N . GLU A 548 ? 1.4152 1.0743 1.3328 0.0254 -0.0152 0.2097 548 GLU A N 4212 C CA . GLU A 548 ? 1.4071 1.0482 1.3356 0.0207 -0.0100 0.2099 548 GLU A CA 4213 C C . GLU A 548 ? 1.5107 1.1347 1.4353 0.0239 -0.0110 0.2242 548 GLU A C 4214 O O . GLU A 548 ? 1.5978 1.2062 1.5262 0.0173 -0.0053 0.2299 548 GLU A O 4215 C CB . GLU A 548 ? 1.2600 0.8951 1.2021 0.0268 -0.0103 0.1959 548 GLU A CB 4216 C CG . GLU A 548 ? 1.1775 0.8127 1.1285 0.0177 -0.0043 0.1852 548 GLU A CG 4217 C CD . GLU A 548 ? 1.1766 0.7932 1.1315 0.0088 0.0026 0.1901 548 GLU A CD 4218 O OE1 . GLU A 548 ? 1.1870 0.7851 1.1412 0.0122 0.0028 0.1985 548 GLU A OE1 4219 O OE2 . GLU A 548 ? 1.1641 0.7838 1.1228 -0.0017 0.0081 0.1856 548 GLU A OE2 4220 N N . ALA A 549 ? 1.4515 1.0783 1.3684 0.0341 -0.0181 0.2301 549 ALA A N 4221 C CA . ALA A 549 ? 1.3859 0.9969 1.2988 0.0393 -0.0209 0.2439 549 ALA A CA 4222 C C . ALA A 549 ? 1.4296 1.0448 1.3262 0.0334 -0.0210 0.2595 549 ALA A C 4223 O O . ALA A 549 ? 1.4562 1.0567 1.3489 0.0335 -0.0210 0.2731 549 ALA A O 4224 C CB . ALA A 549 ? 1.3012 0.9123 1.2152 0.0544 -0.0293 0.2423 549 ALA A CB 4225 N N . GLU A 550 ? 1.4316 1.0663 1.3175 0.0284 -0.0211 0.2574 550 GLU A N 4226 C CA . GLU A 550 ? 1.4401 1.0798 1.3084 0.0210 -0.0200 0.2705 550 GLU A CA 4227 C C . GLU A 550 ? 1.4642 1.1006 1.3360 0.0064 -0.0107 0.2731 550 GLU A C 4228 O O . GLU A 550 ? 1.4919 1.1284 1.3515 -0.0015 -0.0081 0.2857 550 GLU A O 4229 C CB . GLU A 550 ? 1.3061 0.9663 1.1591 0.0223 -0.0233 0.2668 550 GLU A CB 4230 C CG . GLU A 550 ? 1.1806 0.8439 1.0183 0.0316 -0.0316 0.2760 550 GLU A CG 4231 C CD . GLU A 550 ? 1.1138 0.7961 0.9340 0.0314 -0.0331 0.2732 550 GLU A CD 4232 O OE1 . GLU A 550 ? 1.0487 0.7424 0.8742 0.0344 -0.0334 0.2599 550 GLU A OE1 4233 O OE2 . GLU A 550 ? 1.1198 0.8049 0.9202 0.0282 -0.0336 0.2842 550 GLU A OE2 4234 N N . ARG A 551 ? 1.4120 1.0458 1.3002 0.0028 -0.0060 0.2612 551 ARG A N 4235 C CA . ARG A 551 ? 1.3475 0.9783 1.2425 -0.0105 0.0030 0.2619 551 ARG A CA 4236 C C . ARG A 551 ? 1.4510 1.0580 1.3549 -0.0116 0.0082 0.2703 551 ARG A C 4237 O O . ARG A 551 ? 1.4921 1.0942 1.3951 -0.0219 0.0160 0.2798 551 ARG A O 4238 C CB . ARG A 551 ? 1.2054 0.8434 1.1130 -0.0132 0.0054 0.2449 551 ARG A CB 4239 C CG . ARG A 551 ? 1.1194 0.7610 1.0321 -0.0274 0.0137 0.2439 551 ARG A CG 4240 C CD . ARG A 551 ? 1.0212 0.6748 0.9412 -0.0292 0.0133 0.2276 551 ARG A CD 4241 N NE . ARG A 551 ? 0.9564 0.6277 0.8631 -0.0257 0.0084 0.2234 551 ARG A NE 4242 C CZ . ARG A 551 ? 0.9244 0.6041 0.8351 -0.0200 0.0054 0.2100 551 ARG A CZ 4243 N NH1 . ARG A 551 ? 0.9266 0.6002 0.8533 -0.0175 0.0055 0.1993 551 ARG A NH1 4244 N NH2 . ARG A 551 ? 0.8957 0.5896 0.7939 -0.0164 0.0032 0.2072 551 ARG A NH2 4245 N N . GLN A 552 ? 1.4835 1.0747 1.3949 -0.0009 0.0047 0.2667 552 GLN A N 4246 C CA . GLN A 552 ? 1.4586 1.0228 1.3754 0.0001 0.0087 0.2742 552 GLN A CA 4247 C C . GLN A 552 ? 1.5443 1.1021 1.4487 0.0018 0.0063 0.2941 552 GLN A C 4248 O O . GLN A 552 ? 1.6144 1.1505 1.5205 -0.0008 0.0117 0.3042 552 GLN A O 4249 C CB . GLN A 552 ? 1.3103 0.8601 1.2368 0.0118 0.0043 0.2640 552 GLN A CB 4250 C CG . GLN A 552 ? 1.2462 0.7761 1.1847 0.0071 0.0113 0.2536 552 GLN A CG 4251 C CD . GLN A 552 ? 1.2129 0.7257 1.1586 0.0191 0.0065 0.2456 552 GLN A CD 4252 O OE1 . GLN A 552 ? 1.2002 0.7248 1.1496 0.0275 0.0009 0.2338 552 GLN A OE1 4253 N NE2 . GLN A 552 ? 1.1982 0.6825 1.1457 0.0199 0.0089 0.2522 552 GLN A NE2 4254 N N . TRP A 553 ? 1.5386 1.1138 1.4290 0.0058 -0.0017 0.2993 553 TRP A N 4255 C CA . TRP A 553 ? 1.5437 1.1150 1.4192 0.0077 -0.0058 0.3178 553 TRP A CA 4256 C C . TRP A 553 ? 1.6593 1.2382 1.5233 -0.0062 0.0003 0.3301 553 TRP A C 4257 O O . TRP A 553 ? 1.6423 1.2123 1.4965 -0.0078 0.0001 0.3473 553 TRP A O 4258 C CB . TRP A 553 ? 1.3871 0.9717 1.2499 0.0187 -0.0173 0.3174 553 TRP A CB 4259 C CG . TRP A 553 ? 1.2689 0.8434 1.1403 0.0338 -0.0244 0.3125 553 TRP A CG 4260 C CD1 . TRP A 553 ? 1.2623 0.8135 1.1466 0.0390 -0.0229 0.3128 553 TRP A CD1 4261 C CD2 . TRP A 553 ? 1.1525 0.7401 1.0199 0.0458 -0.0338 0.3061 553 TRP A CD2 4262 N NE1 . TRP A 553 ? 1.2345 0.7845 1.1231 0.0535 -0.0311 0.3072 553 TRP A NE1 4263 C CE2 . TRP A 553 ? 1.1061 0.6790 0.9853 0.0578 -0.0378 0.3032 553 TRP A CE2 4264 C CE3 . TRP A 553 ? 1.0907 0.7004 0.9455 0.0476 -0.0387 0.3022 553 TRP A CE3 4265 C CZ2 . TRP A 553 ? 0.9512 0.5329 0.8312 0.0713 -0.0467 0.2974 553 TRP A CZ2 4266 C CZ3 . TRP A 553 ? 1.0023 0.6198 0.8581 0.0608 -0.0472 0.2964 553 TRP A CZ3 4267 C CH2 . TRP A 553 ? 0.9697 0.5742 0.8385 0.0724 -0.0512 0.2942 553 TRP A CH2 4268 N N . LYS A 554 ? 1.7362 1.3319 1.6009 -0.0161 0.0054 0.3216 554 LYS A N 4269 C CA . LYS A 554 ? 1.7393 1.3442 1.5941 -0.0304 0.0119 0.3315 554 LYS A CA 4270 C C . LYS A 554 ? 1.8174 1.4082 1.6885 -0.0385 0.0262 0.3348 554 LYS A C 4271 O O . LYS A 554 ? 1.7916 1.3817 1.6575 -0.0473 0.0345 0.3485 554 LYS A O 4272 C CB . LYS A 554 ? 1.5635 1.1918 1.4081 -0.0373 0.0109 0.3208 554 LYS A CB 4273 C CG . LYS A 554 ? 1.4195 1.0532 1.2825 -0.0424 0.0170 0.3056 554 LYS A CG 4274 C CD . LYS A 554 ? 1.3224 0.9644 1.1848 -0.0588 0.0260 0.3096 554 LYS A CD 4275 C CE . LYS A 554 ? 1.2549 0.9148 1.0907 -0.0667 0.0230 0.3056 554 LYS A CE 4276 N NZ . LYS A 554 ? 1.2462 0.9112 1.0741 -0.0853 0.0300 0.3059 554 LYS A NZ 4277 N N . ALA A 555 ? 1.8452 1.4232 1.7335 -0.0351 0.0305 0.3211 555 ALA A N 4278 C CA . ALA A 555 ? 1.8298 1.3848 1.7282 -0.0413 0.0451 0.3204 555 ALA A CA 4279 C C . ALA A 555 ? 1.8536 1.3805 1.7486 -0.0371 0.0465 0.3347 555 ALA A C 4280 O O . ALA A 555 ? 1.8585 1.3666 1.7507 -0.0450 0.0595 0.3432 555 ALA A O 4281 C CB . ALA A 555 ? 1.7570 1.3038 1.6694 -0.0399 0.0454 0.3004 555 ALA A CB 4282 N N . GLU A 556 ? 1.8418 1.3644 1.7351 -0.0248 0.0335 0.3371 556 GLU A N 4283 C CA . GLU A 556 ? 1.8186 1.3147 1.7096 -0.0189 0.0320 0.3506 556 GLU A CA 4284 C C . GLU A 556 ? 1.8970 1.3997 1.7722 -0.0202 0.0297 0.3722 556 GLU A C 4285 O O . GLU A 556 ? 2.0064 1.4872 1.8782 -0.0176 0.0304 0.3870 556 GLU A O 4286 C CB . GLU A 556 ? 1.6985 1.1863 1.5946 -0.0040 0.0198 0.3431 556 GLU A CB 4287 C CG . GLU A 556 ? 1.6338 1.0891 1.5320 0.0024 0.0190 0.3530 556 GLU A CG 4288 C CD . GLU A 556 ? 1.5440 0.9917 1.4491 0.0175 0.0085 0.3433 556 GLU A CD 4289 O OE1 . GLU A 556 ? 1.4650 0.9334 1.3721 0.0232 0.0021 0.3300 556 GLU A OE1 4290 O OE2 . GLU A 556 ? 1.5417 0.9619 1.4500 0.0237 0.0073 0.3492 556 GLU A OE2 4291 N N . PHE A 557 ? 1.8208 1.3527 1.6848 -0.0250 0.0257 0.3740 557 PHE A N 4292 C CA . PHE A 557 ? 1.7733 1.3133 1.6190 -0.0300 0.0230 0.3935 557 PHE A CA 4293 C C . PHE A 557 ? 1.7644 1.3109 1.6094 -0.0436 0.0393 0.4009 557 PHE A C 4294 O O . PHE A 557 ? 1.8036 1.3501 1.6366 -0.0488 0.0419 0.4193 557 PHE A O 4295 C CB . PHE A 557 ? 1.6897 1.2522 1.5148 -0.0278 0.0076 0.3912 557 PHE A CB 4296 C CG . PHE A 557 ? 1.6767 1.2452 1.4749 -0.0365 0.0030 0.4082 557 PHE A CG 4297 C CD1 . PHE A 557 ? 1.7110 1.2624 1.5011 -0.0332 -0.0006 0.4268 557 PHE A CD1 4298 C CD2 . PHE A 557 ? 1.6347 1.2219 1.4107 -0.0490 0.0019 0.4043 557 PHE A CD2 4299 C CE1 . PHE A 557 ? 1.7266 1.2802 1.4863 -0.0430 -0.0061 0.4414 557 PHE A CE1 4300 C CE2 . PHE A 557 ? 1.6422 1.2276 1.3829 -0.0589 -0.0024 0.4164 557 PHE A CE2 4301 C CZ . PHE A 557 ? 1.6971 1.2658 1.4292 -0.0563 -0.0069 0.4351 557 PHE A CZ 4302 N N . HIS A 558 ? 1.6817 1.2327 1.5381 -0.0487 0.0516 0.3862 558 HIS A N 4303 C CA . HIS A 558 ? 1.6510 1.1983 1.5022 -0.0574 0.0756 0.3890 558 HIS A CA 4304 C C . HIS A 558 ? 1.7893 1.2925 1.6330 -0.0593 0.0926 0.3959 558 HIS A C 4305 O O . HIS A 558 ? 1.9135 1.4012 1.7342 -0.0640 0.1097 0.4064 558 HIS A O 4306 C CB . HIS A 558 ? 1.5167 1.0709 1.3738 -0.0627 0.0853 0.3684 558 HIS A CB 4307 C CG . HIS A 558 ? 1.4377 0.9710 1.2657 -0.0727 0.1132 0.3628 558 HIS A CG 4308 N ND1 . HIS A 558 ? 1.4149 0.9193 1.2411 -0.0872 0.1233 0.3532 558 HIS A ND1 4309 C CD2 . HIS A 558 ? 1.3993 0.9226 1.1798 -0.0772 0.1286 0.3599 558 HIS A CD2 4310 C CE1 . HIS A 558 ? 1.4289 0.9233 1.2260 -0.1033 0.1376 0.3507 558 HIS A CE1 4311 N NE2 . HIS A 558 ? 1.4207 0.9195 1.1806 -0.0998 0.1398 0.3521 558 HIS A NE2 4312 N N . ARG A 559 ? 1.7585 1.2380 1.6165 -0.0573 0.0870 0.3887 559 ARG A N 4313 C CA . ARG A 559 ? 1.7134 1.1531 1.5696 -0.0622 0.0957 0.3964 559 ARG A CA 4314 C C . ARG A 559 ? 1.7936 1.2237 1.6433 -0.0538 0.0894 0.4187 559 ARG A C 4315 O O . ARG A 559 ? 1.8696 1.2707 1.7113 -0.0589 0.0998 0.4313 559 ARG A O 4316 C CB . ARG A 559 ? 1.5399 0.9583 1.4144 -0.0629 0.0907 0.3810 559 ARG A CB 4317 C CG . ARG A 559 ? 1.4113 0.8363 1.2972 -0.0475 0.0724 0.3745 559 ARG A CG 4318 C CD . ARG A 559 ? 1.3577 0.7475 1.2505 -0.0422 0.0682 0.3775 559 ARG A CD 4319 N NE . ARG A 559 ? 1.3424 0.7211 1.2263 -0.0355 0.0647 0.3995 559 ARG A NE 4320 C CZ . ARG A 559 ? 1.2954 0.6700 1.1811 -0.0211 0.0506 0.4040 559 ARG A CZ 4321 N NH1 . ARG A 559 ? 1.2213 0.6013 1.1164 -0.0114 0.0404 0.3876 559 ARG A NH1 4322 N NH2 . ARG A 559 ? 1.2115 0.5759 1.0883 -0.0163 0.0471 0.4250 559 ARG A NH2 4323 N N . TRP A 560 ? 1.7503 1.2038 1.6019 -0.0428 0.0705 0.4235 560 TRP A N 4324 C CA . TRP A 560 ? 1.7353 1.1841 1.5789 -0.0361 0.0599 0.4443 560 TRP A CA 4325 C C . TRP A 560 ? 1.8463 1.3107 1.6731 -0.0426 0.0673 0.4626 560 TRP A C 4326 O O . TRP A 560 ? 1.8960 1.3433 1.7138 -0.0424 0.0714 0.4823 560 TRP A O 4327 C CB . TRP A 560 ? 1.5792 1.0450 1.4222 -0.0252 0.0364 0.4399 560 TRP A CB 4328 C CG . TRP A 560 ? 1.5082 0.9615 1.3412 -0.0173 0.0239 0.4579 560 TRP A CG 4329 C CD1 . TRP A 560 ? 1.5033 0.9315 1.3429 -0.0054 0.0169 0.4581 560 TRP A CD1 4330 C CD2 . TRP A 560 ? 1.5127 0.9768 1.3251 -0.0214 0.0161 0.4779 560 TRP A CD2 4331 N NE1 . TRP A 560 ? 1.5257 0.9484 1.3513 -0.0004 0.0062 0.4773 560 TRP A NE1 4332 C CE2 . TRP A 560 ? 1.5454 0.9890 1.3529 -0.0107 0.0050 0.4896 560 TRP A CE2 4333 C CE3 . TRP A 560 ? 1.5200 1.0078 1.3147 -0.0345 0.0153 0.4862 560 TRP A CE3 4334 C CZ2 . TRP A 560 ? 1.6076 1.0526 1.3923 -0.0122 -0.0061 0.5093 560 TRP A CZ2 4335 C CZ3 . TRP A 560 ? 1.5805 1.0676 1.3488 -0.0387 0.0024 0.5044 560 TRP A CZ3 4336 C CH2 . TRP A 560 ? 1.6311 1.0968 1.3947 -0.0269 -0.0074 0.5159 560 TRP A CH2 4337 N N . SER A 561 ? 1.8359 1.3335 1.6584 -0.0484 0.0684 0.4564 561 SER A N 4338 C CA . SER A 561 ? 1.8099 1.3283 1.6164 -0.0554 0.0741 0.4718 561 SER A CA 4339 C C . SER A 561 ? 1.9159 1.3824 1.6883 -0.0530 0.1185 0.4697 561 SER A C 4340 O O . SER A 561 ? 1.9771 1.4195 1.7088 -0.0506 0.1349 0.4803 561 SER A O 4341 C CB . SER A 561 ? 1.6371 1.1981 1.4413 -0.0695 0.0575 0.4616 561 SER A CB 4342 O OG . SER A 561 ? 1.5488 1.0936 1.3534 -0.0587 0.0961 0.4400 561 SER A OG 4343 N N . SER A 562 ? 1.9033 1.3402 1.6749 -0.0624 0.1298 0.4515 562 SER A N 4344 C CA . SER A 562 ? 1.9027 1.2970 1.6482 -0.0798 0.1497 0.4501 562 SER A CA 4345 C C . SER A 562 ? 1.9961 1.3623 1.7500 -0.0789 0.1494 0.4699 562 SER A C 4346 O O . SER A 562 ? 2.1113 1.4485 1.8410 -0.0914 0.1641 0.4788 562 SER A O 4347 C CB . SER A 562 ? 1.8027 1.1956 1.5682 -0.0948 0.1517 0.4311 562 SER A CB 4348 O OG . SER A 562 ? 1.7853 1.1726 1.5865 -0.0898 0.1392 0.4276 562 SER A OG 4349 N N . TYR A 563 ? 1.9161 1.2887 1.7016 -0.0667 0.1306 0.4762 563 TYR A N 4350 C CA . TYR A 563 ? 1.8635 1.2072 1.6538 -0.0640 0.1274 0.4948 563 TYR A CA 4351 C C . TYR A 563 ? 1.9275 1.2803 1.7002 -0.0558 0.1263 0.5191 563 TYR A C 4352 O O . TYR A 563 ? 1.9656 1.2934 1.7354 -0.0547 0.1271 0.5380 563 TYR A O 4353 C CB . TYR A 563 ? 1.7004 1.0400 1.5185 -0.0545 0.1067 0.4896 563 TYR A CB 4354 C CG . TYR A 563 ? 1.5670 0.8899 1.4011 -0.0624 0.1094 0.4679 563 TYR A CG 4355 C CD1 . TYR A 563 ? 1.5679 0.8728 1.3973 -0.0805 0.1263 0.4615 563 TYR A CD1 4356 C CD2 . TYR A 563 ? 1.4610 0.7868 1.3137 -0.0533 0.0940 0.4533 563 TYR A CD2 4357 C CE1 . TYR A 563 ? 1.3389 0.6329 1.1858 -0.0895 0.1258 0.4425 563 TYR A CE1 4358 C CE2 . TYR A 563 ? 1.3842 0.6963 1.2508 -0.0603 0.0961 0.4334 563 TYR A CE2 4359 C CZ . TYR A 563 ? 1.3512 0.6487 1.2161 -0.0786 0.1111 0.4285 563 TYR A CZ 4360 O OH . TYR A 563 ? 1.3007 0.5874 1.1812 -0.0870 0.1109 0.4091 563 TYR A OH 4361 N N . MET A 564 ? 1.9308 1.3216 1.6940 -0.0509 0.1228 0.5193 564 MET A N 4362 C CA . MET A 564 ? 1.8963 1.3048 1.6440 -0.0461 0.1206 0.5422 564 MET A CA 4363 C C . MET A 564 ? 2.0113 1.3563 1.6689 -0.0509 0.1609 0.5273 564 MET A C 4364 O O . MET A 564 ? 2.1051 1.4100 1.7122 -0.0517 0.1706 0.5381 564 MET A O 4365 C CB . MET A 564 ? 1.7281 1.2054 1.4998 -0.0574 0.0720 0.5485 564 MET A CB 4366 C CG . MET A 564 ? 1.6827 1.1512 1.4426 -0.0615 0.0326 0.5593 564 MET A CG 4367 S SD . MET A 564 ? 1.5959 1.0456 1.3399 -0.0678 0.0325 0.5921 564 MET A SD 4368 C CE . MET A 564 ? 1.4529 0.8759 1.1860 -0.0544 0.0072 0.5962 564 MET A CE 4369 N N . VAL A 565 ? 2.0420 1.3693 1.6663 -0.0685 0.1691 0.4999 565 VAL A N 4370 C CA . VAL A 565 ? 2.1306 1.4255 1.6952 -0.0972 0.1788 0.4932 565 VAL A CA 4371 C C . VAL A 565 ? 2.2358 1.5108 1.8221 -0.1085 0.1924 0.5114 565 VAL A C 4372 O O . VAL A 565 ? 2.3259 1.5831 1.8779 -0.1258 0.2019 0.5204 565 VAL A O 4373 C CB . VAL A 565 ? 1.5036 0.8240 1.0722 -0.1148 0.1787 0.4729 565 VAL A CB 4374 C CG1 . VAL A 565 ? 1.4646 0.8031 1.0207 -0.1051 0.1616 0.4533 565 VAL A CG1 4375 C CG2 . VAL A 565 ? 1.4382 0.7697 1.0632 -0.1235 0.1871 0.4698 565 VAL A CG2 4376 N N . HIS A 566 ? 2.2047 1.4828 1.8472 -0.1024 0.1896 0.5167 566 HIS A N 4377 C CA . HIS A 566 ? 2.1617 1.4106 1.8187 -0.1140 0.1977 0.5317 566 HIS A CA 4378 C C . HIS A 566 ? 2.2473 1.4742 1.8817 -0.1022 0.1992 0.5558 566 HIS A C 4379 O O . HIS A 566 ? 2.3595 1.5579 1.9672 -0.1153 0.2118 0.5692 566 HIS A O 4380 C CB . HIS A 566 ? 1.9702 1.2182 1.6793 -0.1126 0.1878 0.5262 566 HIS A CB 4381 C CG . HIS A 566 ? 1.8936 1.1065 1.6149 -0.1275 0.1954 0.5366 566 HIS A CG 4382 N ND1 . HIS A 566 ? 1.9094 1.0947 1.6242 -0.1219 0.1971 0.5595 566 HIS A ND1 4383 C CD2 . HIS A 566 ? 1.8156 1.0173 1.5569 -0.1480 0.2013 0.5275 566 HIS A CD2 4384 C CE1 . HIS A 566 ? 1.9048 1.0605 1.6331 -0.1387 0.2043 0.5635 566 HIS A CE1 4385 N NE2 . HIS A 566 ? 1.8527 1.0186 1.5980 -0.1549 0.2068 0.5441 566 HIS A NE2 4386 N N . TRP A 567 ? 2.1440 1.3919 1.7978 -0.0781 0.1843 0.5638 567 TRP A N 4387 C CA . TRP A 567 ? 2.0717 1.3149 1.7151 -0.0635 0.1813 0.5893 567 TRP A CA 4388 C C . TRP A 567 ? 2.0701 1.2818 1.6220 -0.0678 0.1938 0.5823 567 TRP A C 4389 O O . TRP A 567 ? 2.0821 1.2574 1.5895 -0.0903 0.2052 0.5845 567 TRP A O 4390 C CB . TRP A 567 ? 1.8980 1.1978 1.6023 -0.0468 0.1484 0.6020 567 TRP A CB 4391 C CG . TRP A 567 ? 1.8536 1.1696 1.5745 -0.0420 0.1265 0.6350 567 TRP A CG 4392 C CD1 . TRP A 567 ? 1.6432 0.9765 1.3454 -0.0407 0.1276 0.6576 567 TRP A CD1 4393 C CD2 . TRP A 567 ? 1.8317 1.1398 1.5798 -0.0405 0.0971 0.6455 567 TRP A CD2 4394 N NE1 . TRP A 567 ? 1.6609 1.0077 1.3854 -0.0516 0.0839 0.6857 567 TRP A NE1 4395 C CE2 . TRP A 567 ? 1.6572 0.9754 1.3981 -0.0435 0.0758 0.6743 567 TRP A CE2 4396 C CE3 . TRP A 567 ? 1.6104 0.8951 1.3783 -0.0362 0.0886 0.6302 567 TRP A CE3 4397 C CZ2 . TRP A 567 ? 1.6862 0.9820 1.4304 -0.0382 0.0523 0.6851 567 TRP A CZ2 4398 C CZ3 . TRP A 567 ? 1.6581 0.9239 1.4331 -0.0285 0.0683 0.6415 567 TRP A CZ3 4399 C CH2 . TRP A 567 ? 1.6755 0.9447 1.4373 -0.0278 0.0524 0.6681 567 TRP A CH2 4400 N N . THR B 1 ? 1.3882 0.8842 0.8396 0.3046 0.1563 -0.1859 1 THR B N 4401 C CA . THR B 1 ? 1.4592 0.9319 0.9009 0.2763 0.1447 -0.1748 1 THR B CA 4402 C C . THR B 1 ? 1.4735 0.9142 0.9295 0.2734 0.1325 -0.1641 1 THR B C 4403 O O . THR B 1 ? 1.4626 0.9221 0.9505 0.2844 0.1340 -0.1544 1 THR B O 4404 C CB . THR B 1 ? 1.3417 0.8634 0.8008 0.2532 0.1476 -0.1565 1 THR B CB 4405 O OG1 . THR B 1 ? 1.3320 0.9036 0.7976 0.2623 0.1614 -0.1599 1 THR B OG1 4406 C CG2 . THR B 1 ? 1.3446 0.8436 0.7760 0.2272 0.1401 -0.1563 1 THR B CG2 4407 N N . MET B 2 ? 1.4786 0.8715 0.9105 0.2583 0.1204 -0.1659 2 MET B N 4408 C CA . MET B 2 ? 1.4202 0.7829 0.8631 0.2523 0.1076 -0.1553 2 MET B CA 4409 C C . MET B 2 ? 1.4196 0.7989 0.8766 0.2249 0.1010 -0.1351 2 MET B C 4410 O O . MET B 2 ? 1.4126 0.7835 0.8488 0.2038 0.0972 -0.1347 2 MET B O 4411 C CB . MET B 2 ? 1.3624 0.6817 0.7872 0.2456 0.0938 -0.1631 2 MET B CB 4412 C CG . MET B 2 ? 1.3693 0.6864 0.8029 0.2654 0.0933 -0.1751 2 MET B CG 4413 S SD . MET B 2 ? 1.5178 0.8633 0.9973 0.2816 0.0947 -0.1639 2 MET B SD 4414 C CE . MET B 2 ? 1.2582 0.5829 0.7398 0.2958 0.0879 -0.1778 2 MET B CE 4415 N N . CYS B 3 ? 1.3632 0.7675 0.8568 0.2250 0.0992 -0.1186 3 CYS B N 4416 C CA . CYS B 3 ? 1.3063 0.7349 0.8194 0.2004 0.0932 -0.0995 3 CYS B CA 4417 C C . CYS B 3 ? 1.1727 0.5907 0.7083 0.1970 0.0826 -0.0864 3 CYS B C 4418 O O . CYS B 3 ? 1.2775 0.6854 0.8253 0.2162 0.0828 -0.0885 3 CYS B O 4419 C CB . CYS B 3 ? 1.3486 0.8390 0.8903 0.1996 0.1032 -0.0896 3 CYS B CB 4420 S SG . CYS B 3 ? 1.4502 0.9615 0.9671 0.1900 0.1123 -0.0979 3 CYS B SG 4421 N N . TYR B 4 ? 1.0260 0.4478 0.5676 0.1724 0.0732 -0.0732 4 TYR B N 4422 C CA . TYR B 4 ? 1.0125 0.4309 0.5774 0.1675 0.0630 -0.0601 4 TYR B CA 4423 C C . TYR B 4 ? 0.9949 0.4593 0.6043 0.1798 0.0682 -0.0490 4 TYR B C 4424 O O . TYR B 4 ? 0.9744 0.4805 0.5998 0.1840 0.0778 -0.0467 4 TYR B O 4425 C CB . TYR B 4 ? 1.0667 0.4827 0.6281 0.1383 0.0519 -0.0494 4 TYR B CB 4426 C CG . TYR B 4 ? 1.2299 0.5962 0.7490 0.1257 0.0446 -0.0587 4 TYR B CG 4427 C CD1 . TYR B 4 ? 1.2366 0.5566 0.7407 0.1282 0.0350 -0.0620 4 TYR B CD1 4428 C CD2 . TYR B 4 ? 1.3062 0.6719 0.8003 0.1108 0.0468 -0.0639 4 TYR B CD2 4429 C CE1 . TYR B 4 ? 1.3187 0.5985 0.7878 0.1152 0.0272 -0.0691 4 TYR B CE1 4430 C CE2 . TYR B 4 ? 1.3260 0.6461 0.7816 0.0990 0.0398 -0.0724 4 TYR B CE2 4431 C CZ . TYR B 4 ? 1.3620 0.6358 0.8034 0.1019 0.0300 -0.0756 4 TYR B CZ 4432 O OH . TYR B 4 ? 1.3777 0.6180 0.7887 0.0883 0.0218 -0.0813 4 TYR B OH 4433 N N . SER B 5 ? 1.0522 0.5086 0.6811 0.1853 0.0612 -0.0419 5 SER B N 4434 C CA . SER B 5 ? 0.9706 0.4637 0.6408 0.1996 0.0650 -0.0327 5 SER B CA 4435 C C . SER B 5 ? 0.9283 0.4158 0.6177 0.1911 0.0527 -0.0206 5 SER B C 4436 O O . SER B 5 ? 0.9041 0.3661 0.5836 0.1851 0.0434 -0.0234 5 SER B O 4437 C CB . SER B 5 ? 0.8582 0.3399 0.5269 0.2284 0.0733 -0.0440 5 SER B CB 4438 O OG . SER B 5 ? 0.8292 0.3566 0.5348 0.2428 0.0814 -0.0375 5 SER B OG 4439 N N . HIS B 6 ? 0.9082 0.4386 0.6343 0.1840 0.0506 -0.0064 6 HIS B N 4440 C CA . HIS B 6 ? 0.9049 0.4431 0.6570 0.1763 0.0392 0.0050 6 HIS B CA 4441 C C . HIS B 6 ? 0.8608 0.4479 0.6541 0.1740 0.0392 0.0188 6 HIS B C 4442 O O . HIS B 6 ? 0.6479 0.2671 0.4497 0.1696 0.0451 0.0211 6 HIS B O 4443 C CB . HIS B 6 ? 0.9850 0.4961 0.7155 0.1523 0.0266 0.0069 6 HIS B CB 4444 C CG . HIS B 6 ? 0.9615 0.4819 0.6810 0.1314 0.0251 0.0102 6 HIS B CG 4445 N ND1 . HIS B 6 ? 0.8192 0.3878 0.5707 0.1231 0.0254 0.0209 6 HIS B ND1 4446 C CD2 . HIS B 6 ? 1.0345 0.5284 0.7184 0.1146 0.0222 0.0044 6 HIS B CD2 4447 C CE1 . HIS B 6 ? 0.8523 0.4234 0.5881 0.1023 0.0228 0.0216 6 HIS B CE1 4448 N NE2 . HIS B 6 ? 0.9431 0.4697 0.6377 0.0967 0.0212 0.0116 6 HIS B NE2 4449 N N . THR B 7 ? 0.6230 0.2364 0.4520 0.1679 0.0299 0.0269 7 THR B N 4450 C CA . THR B 7 ? 0.7045 0.3622 0.5727 0.1623 0.0265 0.0397 7 THR B CA 4451 C C . THR B 7 ? 0.7138 0.3691 0.5803 0.1396 0.0144 0.0475 7 THR B C 4452 O O . THR B 7 ? 0.7343 0.3526 0.5649 0.1264 0.0098 0.0437 7 THR B O 4453 C CB . THR B 7 ? 0.6145 0.3138 0.5299 0.1647 0.0219 0.0427 7 THR B CB 4454 O OG1 . THR B 7 ? 0.5903 0.2732 0.4991 0.1724 0.0228 0.0339 7 THR B OG1 4455 C CG2 . THR B 7 ? 0.6397 0.3825 0.5875 0.1748 0.0285 0.0474 7 THR B CG2 4456 N N . THR B 8 ? 0.6464 0.3458 0.5551 0.1334 0.0082 0.0576 8 THR B N 4457 C CA . THR B 8 ? 0.6420 0.3506 0.5588 0.1122 -0.0042 0.0651 8 THR B CA 4458 C C . THR B 8 ? 0.6605 0.3646 0.5826 0.1023 -0.0133 0.0623 8 THR B C 4459 O O . THR B 8 ? 0.6914 0.3908 0.6062 0.0842 -0.0218 0.0647 8 THR B O 4460 C CB . THR B 8 ? 0.5756 0.3364 0.5391 0.1103 -0.0082 0.0752 8 THR B CB 4461 O OG1 . THR B 8 ? 0.7073 0.4735 0.6693 0.0910 -0.0169 0.0826 8 THR B OG1 4462 C CG2 . THR B 8 ? 0.4964 0.2900 0.4995 0.1091 -0.0177 0.0732 8 THR B CG2 4463 N N . THR B 9 ? 0.6254 0.3326 0.5595 0.1140 -0.0105 0.0573 9 THR B N 4464 C CA . THR B 9 ? 0.6460 0.3549 0.5909 0.1069 -0.0169 0.0571 9 THR B CA 4465 C C . THR B 9 ? 0.7534 0.4266 0.6701 0.1161 -0.0127 0.0481 9 THR B C 4466 O O . THR B 9 ? 0.7773 0.4579 0.7110 0.1207 -0.0135 0.0470 9 THR B O 4467 C CB . THR B 9 ? 0.5660 0.3193 0.5613 0.1091 -0.0206 0.0611 9 THR B CB 4468 O OG1 . THR B 9 ? 0.5228 0.2868 0.5281 0.1246 -0.0154 0.0560 9 THR B OG1 4469 C CG2 . THR B 9 ? 0.4983 0.2894 0.5237 0.0963 -0.0274 0.0689 9 THR B CG2 4470 N N . SER B 10 ? 0.7356 0.3697 0.6095 0.1179 -0.0085 0.0416 10 SER B N 4471 C CA . SER B 10 ? 0.7458 0.3464 0.5932 0.1287 -0.0039 0.0317 10 SER B CA 4472 C C . SER B 10 ? 0.8037 0.3598 0.6033 0.1198 -0.0053 0.0254 10 SER B C 4473 O O . SER B 10 ? 0.8936 0.4443 0.6785 0.1071 -0.0075 0.0280 10 SER B O 4474 C CB . SER B 10 ? 0.6094 0.2175 0.4622 0.1494 0.0076 0.0267 10 SER B CB 4475 O OG . SER B 10 ? 0.6615 0.2315 0.4782 0.1589 0.0132 0.0156 10 SER B OG 4476 N N . ARG B 11 ? 0.8406 0.3657 0.6171 0.1249 -0.0050 0.0170 11 ARG B N 4477 C CA . ARG B 11 ? 0.9644 0.4485 0.6975 0.1149 -0.0079 0.0104 11 ARG B CA 4478 C C . ARG B 11 ? 0.9444 0.4029 0.6479 0.1284 0.0024 -0.0004 11 ARG B C 4479 O O . ARG B 11 ? 0.9292 0.3931 0.6415 0.1481 0.0106 -0.0058 11 ARG B O 4480 C CB . ARG B 11 ? 1.1520 0.6168 0.8766 0.1105 -0.0154 0.0081 11 ARG B CB 4481 C CG . ARG B 11 ? 1.2883 0.7322 0.9861 0.0896 -0.0244 0.0086 11 ARG B CG 4482 C CD . ARG B 11 ? 1.3275 0.7965 1.0488 0.0751 -0.0337 0.0184 11 ARG B CD 4483 N NE . ARG B 11 ? 1.4478 0.8937 1.1490 0.0648 -0.0419 0.0170 11 ARG B NE 4484 C CZ . ARG B 11 ? 1.5871 1.0176 1.2871 0.0733 -0.0433 0.0144 11 ARG B CZ 4485 N NH1 . ARG B 11 ? 1.5972 1.0347 1.3158 0.0918 -0.0369 0.0123 11 ARG B NH1 4486 N NH2 . ARG B 11 ? 1.6573 1.0669 1.3385 0.0629 -0.0516 0.0142 11 ARG B NH2 4487 N N . ALA B 12 ? 0.9202 0.3534 0.5896 0.1169 0.0020 -0.0042 12 ALA B N 4488 C CA . ALA B 12 ? 0.9123 0.3215 0.5509 0.1278 0.0124 -0.0156 12 ALA B CA 4489 C C . ALA B 12 ? 0.9767 0.3617 0.5993 0.1419 0.0148 -0.0279 12 ALA B C 4490 O O . ALA B 12 ? 1.0141 0.3759 0.6212 0.1329 0.0061 -0.0304 12 ALA B O 4491 C CB . ALA B 12 ? 0.9503 0.3368 0.5555 0.1085 0.0098 -0.0174 12 ALA B CB 4492 N N . ILE B 13 ? 0.9757 0.3692 0.6041 0.1641 0.0260 -0.0350 13 ILE B N 4493 C CA . ILE B 13 ? 1.0804 0.4532 0.6943 0.1784 0.0286 -0.0481 13 ILE B CA 4494 C C . ILE B 13 ? 1.2360 0.6000 0.8254 0.1920 0.0412 -0.0616 13 ILE B C 4495 O O . ILE B 13 ? 1.2552 0.6381 0.8478 0.1964 0.0508 -0.0601 13 ILE B O 4496 C CB . ILE B 13 ? 1.0021 0.3965 0.6496 0.1930 0.0290 -0.0461 13 ILE B CB 4497 C CG1 . ILE B 13 ? 1.0565 0.4862 0.7282 0.2107 0.0412 -0.0456 13 ILE B CG1 4498 C CG2 . ILE B 13 ? 0.8782 0.2870 0.5517 0.1801 0.0183 -0.0334 13 ILE B CG2 4499 C CD1 . ILE B 13 ? 0.8880 0.3340 0.5852 0.2265 0.0433 -0.0483 13 ILE B CD1 4500 N N . LEU B 14 ? 1.2647 0.6021 0.8307 0.1985 0.0409 -0.0751 14 LEU B N 4501 C CA . LEU B 14 ? 1.2668 0.5995 0.8107 0.2120 0.0524 -0.0901 14 LEU B CA 4502 C C . LEU B 14 ? 1.2590 0.6191 0.8275 0.2358 0.0617 -0.0944 14 LEU B C 4503 O O . LEU B 14 ? 1.3293 0.6889 0.9146 0.2428 0.0567 -0.0946 14 LEU B O 4504 C CB . LEU B 14 ? 1.3261 0.6208 0.8363 0.2079 0.0469 -0.1032 14 LEU B CB 4505 C CG . LEU B 14 ? 1.3090 0.5846 0.7822 0.1955 0.0490 -0.1109 14 LEU B CG 4506 C CD1 . LEU B 14 ? 1.2828 0.5757 0.7458 0.2104 0.0647 -0.1229 14 LEU B CD1 4507 C CD2 . LEU B 14 ? 1.2871 0.5640 0.7589 0.1727 0.0437 -0.0977 14 LEU B CD2 4508 N N . THR B 15 ? 1.2027 0.5890 0.7744 0.2471 0.0752 -0.0972 15 THR B N 4509 C CA . THR B 15 ? 1.2008 0.6183 0.7956 0.2686 0.0848 -0.1012 15 THR B CA 4510 C C . THR B 15 ? 1.2305 0.6510 0.8007 0.2797 0.0970 -0.1169 15 THR B C 4511 O O . THR B 15 ? 1.2431 0.6447 0.7811 0.2697 0.0983 -0.1231 15 THR B O 4512 C CB . THR B 15 ? 1.0024 0.4638 0.6358 0.2722 0.0898 -0.0862 15 THR B CB 4513 O OG1 . THR B 15 ? 1.0042 0.4945 0.6644 0.2897 0.0955 -0.0885 15 THR B OG1 4514 C CG2 . THR B 15 ? 0.9811 0.4612 0.6067 0.2712 0.1008 -0.0837 15 THR B CG2 4515 N N . ASN B 16 ? 1.2566 0.7034 0.8424 0.2988 0.1057 -0.1236 16 ASN B N 4516 C CA . ASN B 16 ? 1.3320 0.7863 0.8968 0.3102 0.1167 -0.1399 16 ASN B CA 4517 C C . ASN B 16 ? 1.2954 0.7980 0.8738 0.3189 0.1319 -0.1359 16 ASN B C 4518 O O . ASN B 16 ? 1.2596 0.7951 0.8618 0.3340 0.1386 -0.1369 16 ASN B O 4519 C CB . ASN B 16 ? 1.4172 0.8659 0.9868 0.3253 0.1151 -0.1527 16 ASN B CB 4520 C CG . ASN B 16 ? 1.4231 0.8692 0.9658 0.3342 0.1226 -0.1722 16 ASN B CG 4521 O OD1 . ASN B 16 ? 1.3780 0.8434 0.9063 0.3334 0.1329 -0.1755 16 ASN B OD1 4522 N ND2 . ASN B 16 ? 1.4487 0.8732 0.9854 0.3423 0.1172 -0.1855 16 ASN B ND2 4523 N N . CYS B 17 ? 1.3269 0.8352 0.8904 0.3082 0.1372 -0.1313 17 CYS B N 4524 C CA . CYS B 17 ? 1.3265 0.8960 0.9163 0.3063 0.1473 -0.1203 17 CYS B CA 4525 C C . CYS B 17 ? 1.3856 0.9818 0.9649 0.3224 0.1613 -0.1344 17 CYS B C 4526 O O . CYS B 17 ? 1.2839 0.9322 0.8882 0.3273 0.1707 -0.1265 17 CYS B O 4527 C CB . CYS B 17 ? 1.2678 0.8558 0.8614 0.2762 0.1421 -0.1051 17 CYS B CB 4528 S SG . CYS B 17 ? 1.4671 1.0498 1.0896 0.2594 0.1281 -0.0839 17 CYS B SG 4529 N N . GLY B 18 ? 1.5461 1.1077 1.0895 0.3303 0.1619 -0.1551 18 GLY B N 4530 C CA . GLY B 18 ? 1.6558 1.2436 1.1921 0.3434 0.1722 -0.1695 18 GLY B CA 4531 C C . GLY B 18 ? 1.7982 1.4307 1.3298 0.3345 0.1832 -0.1658 18 GLY B C 4532 O O . GLY B 18 ? 1.8884 1.5178 1.4077 0.3100 0.1782 -0.1593 18 GLY B O 4533 N N . GLU B 19 ? 1.8040 1.4844 1.3519 0.3501 0.1958 -0.1672 19 GLU B N 4534 C CA . GLU B 19 ? 1.7332 1.4648 1.2809 0.3410 0.2053 -0.1639 19 GLU B CA 4535 C C . GLU B 19 ? 1.5626 1.3212 1.1270 0.3114 0.2005 -0.1409 19 GLU B C 4536 O O . GLU B 19 ? 1.5089 1.2667 1.0519 0.2924 0.1991 -0.1418 19 GLU B O 4537 C CB . GLU B 19 ? 1.7374 1.5191 1.3058 0.3633 0.2189 -0.1661 19 GLU B CB 4538 C CG . GLU B 19 ? 2.2986 2.1132 1.9126 0.3683 0.2195 -0.1464 19 GLU B CG 4539 C CD . GLU B 19 ? 2.2250 2.0007 1.8549 0.3738 0.2082 -0.1434 19 GLU B CD 4540 O OE1 . GLU B 19 ? 2.1731 1.9216 1.8034 0.3603 0.1991 -0.1330 19 GLU B OE1 4541 O OE2 . GLU B 19 ? 2.1874 1.9645 1.8342 0.3863 0.2058 -0.1493 19 GLU B OE2 4542 N N . ASN B 20 ? 1.4747 1.2559 1.0772 0.3075 0.1972 -0.1209 20 ASN B N 4543 C CA . ASN B 20 ? 1.4144 1.2263 1.0368 0.2814 0.1925 -0.0994 20 ASN B CA 4544 C C . ASN B 20 ? 1.3236 1.0953 0.9309 0.2578 0.1791 -0.0948 20 ASN B C 4545 O O . ASN B 20 ? 1.3674 1.0912 0.9400 0.2573 0.1751 -0.1099 20 ASN B O 4546 C CB . ASN B 20 ? 1.3542 1.2056 1.0238 0.2847 0.1924 -0.0797 20 ASN B CB 4547 C CG . ASN B 20 ? 1.2887 1.1073 0.9736 0.2937 0.1842 -0.0769 20 ASN B CG 4548 O OD1 . ASN B 20 ? 1.2854 1.0588 0.9492 0.3078 0.1826 -0.0924 20 ASN B OD1 4549 N ND2 . ASN B 20 ? 1.2543 1.0961 0.9766 0.2855 0.1784 -0.0570 20 ASN B ND2 4550 N N . SER B 21 ? 1.1060 0.8982 0.7406 0.2385 0.1717 -0.0740 21 SER B N 4551 C CA . SER B 21 ? 1.0101 0.7804 0.6326 0.2117 0.1605 -0.0673 21 SER B CA 4552 C C . SER B 21 ? 1.0968 0.8319 0.7295 0.2072 0.1478 -0.0608 21 SER B C 4553 O O . SER B 21 ? 1.1802 0.9113 0.8332 0.2241 0.1475 -0.0594 21 SER B O 4554 C CB . SER B 21 ? 0.9190 0.7390 0.5636 0.1910 0.1601 -0.0490 21 SER B CB 4555 O OG . SER B 21 ? 0.8401 0.7108 0.5179 0.2034 0.1682 -0.0401 21 SER B OG 4556 N N . CYS B 22 ? 1.0900 0.8012 0.7086 0.1840 0.1374 -0.0567 22 CYS B N 4557 C CA . CYS B 22 ? 1.0945 0.7740 0.7206 0.1765 0.1246 -0.0501 22 CYS B CA 4558 C C . CYS B 22 ? 1.0348 0.7356 0.6821 0.1508 0.1149 -0.0317 22 CYS B C 4559 O O . CYS B 22 ? 1.1236 0.8240 0.7535 0.1303 0.1120 -0.0305 22 CYS B O 4560 C CB . CYS B 22 ? 0.9016 0.5212 0.4870 0.1746 0.1188 -0.0651 22 CYS B CB 4561 S SG . CYS B 22 ? 1.4946 1.0795 1.0614 0.2065 0.1252 -0.0857 22 CYS B SG 4562 N N . TYR B 23 ? 0.8928 0.6118 0.5777 0.1521 0.1093 -0.0179 23 TYR B N 4563 C CA . TYR B 23 ? 0.8754 0.6164 0.5839 0.1294 0.0991 -0.0011 23 TYR B CA 4564 C C . TYR B 23 ? 0.8941 0.5985 0.5964 0.1165 0.0855 0.0012 23 TYR B C 4565 O O . TYR B 23 ? 0.7438 0.4106 0.4338 0.1276 0.0831 -0.0067 23 TYR B O 4566 C CB . TYR B 23 ? 0.8426 0.6325 0.5993 0.1357 0.1000 0.0140 23 TYR B CB 4567 C CG . TYR B 23 ? 0.8380 0.6183 0.6179 0.1509 0.0961 0.0166 23 TYR B CG 4568 C CD1 . TYR B 23 ? 0.6803 0.4551 0.4610 0.1770 0.1050 0.0080 23 TYR B CD1 4569 C CD2 . TYR B 23 ? 0.8413 0.6191 0.6423 0.1392 0.0832 0.0272 23 TYR B CD2 4570 C CE1 . TYR B 23 ? 0.7914 0.5576 0.5931 0.1907 0.1014 0.0106 23 TYR B CE1 4571 C CE2 . TYR B 23 ? 0.8140 0.5844 0.6360 0.1529 0.0795 0.0296 23 TYR B CE2 4572 C CZ . TYR B 23 ? 0.7670 0.5311 0.5891 0.1784 0.0888 0.0216 23 TYR B CZ 4573 O OH . TYR B 23 ? 0.6189 0.3762 0.4620 0.1921 0.0852 0.0242 23 TYR B OH 4574 N N . ARG B 24 ? 0.8258 0.5436 0.5370 0.0925 0.0763 0.0122 24 ARG B N 4575 C CA . ARG B 24 ? 0.7483 0.4439 0.4604 0.0769 0.0624 0.0175 24 ARG B CA 4576 C C . ARG B 24 ? 0.8151 0.5547 0.5693 0.0647 0.0551 0.0346 24 ARG B C 4577 O O . ARG B 24 ? 0.6115 0.3751 0.3689 0.0476 0.0534 0.0410 24 ARG B O 4578 C CB . ARG B 24 ? 0.7100 0.3738 0.3826 0.0570 0.0580 0.0108 24 ARG B CB 4579 C CG . ARG B 24 ? 0.6993 0.3392 0.3682 0.0385 0.0435 0.0156 24 ARG B CG 4580 C CD . ARG B 24 ? 0.8213 0.4446 0.4581 0.0159 0.0400 0.0122 24 ARG B CD 4581 N NE . ARG B 24 ? 0.7148 0.3131 0.3417 -0.0032 0.0266 0.0152 24 ARG B NE 4582 C CZ . ARG B 24 ? 0.9423 0.5637 0.5923 -0.0214 0.0165 0.0273 24 ARG B CZ 4583 N NH1 . ARG B 24 ? 0.8050 0.4741 0.4912 -0.0229 0.0171 0.0382 24 ARG B NH1 4584 N NH2 . ARG B 24 ? 0.6756 0.2730 0.3132 -0.0381 0.0049 0.0286 24 ARG B NH2 4585 N N . LYS B 25 ? 0.8392 0.5900 0.6266 0.0741 0.0503 0.0419 25 LYS B N 4586 C CA . LYS B 25 ? 0.7174 0.5074 0.5470 0.0639 0.0414 0.0573 25 LYS B CA 4587 C C . LYS B 25 ? 0.6518 0.4244 0.4789 0.0442 0.0267 0.0609 25 LYS B C 4588 O O . LYS B 25 ? 0.7253 0.4629 0.5374 0.0471 0.0224 0.0555 25 LYS B O 4589 C CB . LYS B 25 ? 0.7076 0.5210 0.5756 0.0842 0.0433 0.0630 25 LYS B CB 4590 C CG . LYS B 25 ? 0.7528 0.6181 0.6664 0.0788 0.0388 0.0780 25 LYS B CG 4591 C CD . LYS B 25 ? 0.8012 0.6893 0.7531 0.0992 0.0406 0.0835 25 LYS B CD 4592 C CE . LYS B 25 ? 0.8447 0.7350 0.7897 0.1226 0.0559 0.0766 25 LYS B CE 4593 N NZ . LYS B 25 ? 0.8441 0.7681 0.8321 0.1394 0.0575 0.0849 25 LYS B NZ 4594 N N . SER B 26 ? 0.5873 0.3849 0.4288 0.0237 0.0186 0.0701 26 SER B N 4595 C CA . SER B 26 ? 0.5859 0.3725 0.4271 0.0040 0.0043 0.0737 26 SER B CA 4596 C C . SER B 26 ? 0.6369 0.4684 0.5217 -0.0069 -0.0056 0.0873 26 SER B C 4597 O O . SER B 26 ? 0.6397 0.5083 0.5501 -0.0024 -0.0014 0.0943 26 SER B O 4598 C CB . SER B 26 ? 0.6725 0.4291 0.4707 -0.0149 0.0031 0.0668 26 SER B CB 4599 O OG . SER B 26 ? 0.5369 0.3189 0.3366 -0.0309 0.0031 0.0719 26 SER B OG 4600 N N . ARG B 27 ? 0.5548 0.3841 0.4494 -0.0210 -0.0193 0.0912 27 ARG B N 4601 C CA . ARG B 27 ? 0.4362 0.3044 0.3669 -0.0350 -0.0305 0.1023 27 ARG B CA 4602 C C . ARG B 27 ? 0.5291 0.4039 0.4424 -0.0525 -0.0289 0.1034 27 ARG B C 4603 O O . ARG B 27 ? 0.6157 0.4584 0.4867 -0.0603 -0.0245 0.0951 27 ARG B O 4604 C CB . ARG B 27 ? 0.4215 0.2837 0.3613 -0.0469 -0.0455 0.1041 27 ARG B CB 4605 C CG . ARG B 27 ? 0.3951 0.3002 0.3812 -0.0552 -0.0582 0.1147 27 ARG B CG 4606 C CD . ARG B 27 ? 0.3488 0.2576 0.3477 -0.0627 -0.0711 0.1104 27 ARG B CD 4607 N NE . ARG B 27 ? 0.3566 0.3156 0.4005 -0.0660 -0.0807 0.1105 27 ARG B NE 4608 C CZ . ARG B 27 ? 0.4384 0.4174 0.4848 -0.0785 -0.0895 0.1058 27 ARG B CZ 4609 N NH1 . ARG B 27 ? 0.4287 0.3849 0.4383 -0.0900 -0.0878 0.0996 27 ARG B NH1 4610 N NH2 . ARG B 27 ? 0.4774 0.4925 0.5539 -0.0724 -0.0971 0.1067 27 ARG B NH2 4611 N N . ARG B 28 ? 0.5106 0.4266 0.4557 -0.0586 -0.0324 0.1137 28 ARG B N 4612 C CA . ARG B 28 ? 0.5289 0.4538 0.4585 -0.0740 -0.0299 0.1156 28 ARG B CA 4613 C C . ARG B 28 ? 0.6750 0.5880 0.5908 -0.0988 -0.0420 0.1156 28 ARG B C 4614 O O . ARG B 28 ? 0.7597 0.6473 0.6361 -0.1099 -0.0382 0.1090 28 ARG B O 4615 C CB . ARG B 28 ? 0.3929 0.3662 0.3607 -0.0733 -0.0301 0.1278 28 ARG B CB 4616 C CG . ARG B 28 ? 0.4197 0.4045 0.3716 -0.0885 -0.0267 0.1306 28 ARG B CG 4617 C CD . ARG B 28 ? 0.4866 0.5198 0.4760 -0.0878 -0.0270 0.1437 28 ARG B CD 4618 N NE . ARG B 28 ? 0.5420 0.5886 0.5408 -0.0651 -0.0141 0.1437 28 ARG B NE 4619 C CZ . ARG B 28 ? 0.4861 0.5294 0.4584 -0.0574 0.0010 0.1384 28 ARG B CZ 4620 N NH1 . ARG B 28 ? 0.4451 0.4710 0.3788 -0.0704 0.0053 0.1323 28 ARG B NH1 4621 N NH2 . ARG B 28 ? 0.4531 0.5114 0.4375 -0.0362 0.0118 0.1385 28 ARG B NH2 4622 N N . HIS B 29 ? 0.6918 0.6240 0.6408 -0.1068 -0.0567 0.1225 29 HIS B N 4623 C CA . HIS B 29 ? 0.6788 0.6149 0.6263 -0.1188 -0.0673 0.1111 29 HIS B CA 4624 C C . HIS B 29 ? 0.6599 0.5675 0.5906 -0.1156 -0.0701 0.1011 29 HIS B C 4625 O O . HIS B 29 ? 0.7965 0.6888 0.7294 -0.1041 -0.0673 0.1040 29 HIS B O 4626 C CB . HIS B 29 ? 0.6669 0.6493 0.6592 -0.1147 -0.0802 0.1110 29 HIS B CB 4627 C CG . HIS B 29 ? 0.6187 0.6325 0.6322 -0.1155 -0.0796 0.1206 29 HIS B CG 4628 N ND1 . HIS B 29 ? 0.6534 0.6956 0.7044 -0.1045 -0.0806 0.1308 29 HIS B ND1 4629 C CD2 . HIS B 29 ? 0.5427 0.5652 0.5455 -0.1249 -0.0786 0.1215 29 HIS B CD2 4630 C CE1 . HIS B 29 ? 0.5933 0.6597 0.6542 -0.1069 -0.0802 0.1377 29 HIS B CE1 4631 N NE2 . HIS B 29 ? 0.5992 0.6542 0.6314 -0.1196 -0.0790 0.1321 29 HIS B NE2 4632 N N . PRO B 30 ? 0.5087 0.4110 0.4228 -0.1237 -0.0761 0.0900 30 PRO B N 4633 C CA . PRO B 30 ? 0.5842 0.4670 0.4850 -0.1207 -0.0794 0.0815 30 PRO B CA 4634 C C . PRO B 30 ? 0.5895 0.4987 0.5257 -0.1095 -0.0874 0.0820 30 PRO B C 4635 O O . PRO B 30 ? 0.6040 0.5490 0.5704 -0.1049 -0.0942 0.0859 30 PRO B O 4636 C CB . PRO B 30 ? 0.6054 0.4901 0.4867 -0.1295 -0.0850 0.0735 30 PRO B CB 4637 C CG . PRO B 30 ? 0.3305 0.2176 0.2018 -0.1388 -0.0813 0.0760 30 PRO B CG 4638 C CD . PRO B 30 ? 0.4381 0.3521 0.3425 -0.1340 -0.0799 0.0861 30 PRO B CD 4639 N N . PRO B 31 ? 0.6177 0.5080 0.5476 -0.1035 -0.0866 0.0786 31 PRO B N 4640 C CA . PRO B 31 ? 0.6325 0.4766 0.5238 -0.1042 -0.0790 0.0750 31 PRO B CA 4641 C C . PRO B 31 ? 0.6032 0.4209 0.4813 -0.0973 -0.0682 0.0831 31 PRO B C 4642 O O . PRO B 31 ? 0.5781 0.4091 0.4824 -0.0852 -0.0669 0.0914 31 PRO B O 4643 C CB . PRO B 31 ? 0.4888 0.3310 0.3875 -0.0961 -0.0829 0.0712 31 PRO B CB 4644 C CG . PRO B 31 ? 0.4816 0.3636 0.4237 -0.0890 -0.0892 0.0752 31 PRO B CG 4645 C CD . PRO B 31 ? 0.5613 0.4751 0.5188 -0.0944 -0.0945 0.0777 31 PRO B CD 4646 N N . LYS B 32 ? 0.5351 0.3168 0.3704 -0.1033 -0.0610 0.0808 32 LYS B N 4647 C CA . LYS B 32 ? 0.5616 0.3211 0.3769 -0.0918 -0.0486 0.0839 32 LYS B CA 4648 C C . LYS B 32 ? 0.5638 0.2898 0.3621 -0.0736 -0.0429 0.0766 32 LYS B C 4649 O O . LYS B 32 ? 0.5441 0.2350 0.3043 -0.0692 -0.0347 0.0673 32 LYS B O 4650 C CB . LYS B 32 ? 0.5660 0.3121 0.3465 -0.1012 -0.0408 0.0789 32 LYS B CB 4651 C CG . LYS B 32 ? 0.4803 0.2565 0.2738 -0.1206 -0.0466 0.0862 32 LYS B CG 4652 C CD . LYS B 32 ? 0.4955 0.2756 0.2703 -0.1201 -0.0349 0.0837 32 LYS B CD 4653 C CE . LYS B 32 ? 0.4719 0.2661 0.2426 -0.1439 -0.0408 0.0884 32 LYS B CE 4654 N NZ . LYS B 32 ? 0.4784 0.2903 0.2430 -0.1417 -0.0298 0.0891 32 LYS B NZ 4655 N N . MET B 33 ? 0.6158 0.3532 0.4433 -0.0631 -0.0480 0.0806 33 MET B N 4656 C CA . MET B 33 ? 0.6672 0.3770 0.4845 -0.0452 -0.0438 0.0752 33 MET B CA 4657 C C . MET B 33 ? 0.6890 0.3979 0.5024 -0.0240 -0.0288 0.0706 33 MET B C 4658 O O . MET B 33 ? 0.6610 0.4054 0.5003 -0.0178 -0.0238 0.0757 33 MET B O 4659 C CB . MET B 33 ? 0.7110 0.4420 0.5665 -0.0377 -0.0520 0.0817 33 MET B CB 4660 C CG . MET B 33 ? 0.3849 0.1520 0.2669 -0.0527 -0.0628 0.0808 33 MET B CG 4661 S SD . MET B 33 ? 0.5225 0.2733 0.3764 -0.0663 -0.0678 0.0692 33 MET B SD 4662 C CE . MET B 33 ? 0.4494 0.1507 0.2714 -0.0523 -0.0612 0.0646 33 MET B CE 4663 N N . VAL B 34 ? 0.5301 0.1991 0.3113 -0.0129 -0.0222 0.0610 34 VAL B N 4664 C CA . VAL B 34 ? 0.5525 0.2189 0.3288 0.0089 -0.0084 0.0550 34 VAL B CA 4665 C C . VAL B 34 ? 0.7049 0.3859 0.5135 0.0304 -0.0066 0.0584 34 VAL B C 4666 O O . VAL B 34 ? 0.6735 0.3353 0.4825 0.0343 -0.0126 0.0582 34 VAL B O 4667 C CB . VAL B 34 ? 0.6089 0.2260 0.3379 0.0129 -0.0028 0.0420 34 VAL B CB 4668 C CG1 . VAL B 34 ? 0.6343 0.2513 0.3575 0.0354 0.0117 0.0343 34 VAL B CG1 4669 C CG2 . VAL B 34 ? 0.6284 0.2298 0.3257 -0.0091 -0.0057 0.0388 34 VAL B CG2 4670 N N . LEU B 35 ? 0.6952 0.4106 0.5305 0.0439 0.0015 0.0620 35 LEU B N 4671 C CA . LEU B 35 ? 0.5954 0.3314 0.4663 0.0635 0.0030 0.0666 35 LEU B CA 4672 C C . LEU B 35 ? 0.6498 0.3717 0.5105 0.0887 0.0162 0.0584 35 LEU B C 4673 O O . LEU B 35 ? 0.6329 0.3666 0.5193 0.1067 0.0182 0.0609 35 LEU B O 4674 C CB . LEU B 35 ? 0.5180 0.3068 0.4330 0.0612 0.0009 0.0781 35 LEU B CB 4675 C CG . LEU B 35 ? 0.5180 0.3307 0.4647 0.0472 -0.0139 0.0879 35 LEU B CG 4676 C CD1 . LEU B 35 ? 0.4061 0.1897 0.3274 0.0280 -0.0242 0.0851 35 LEU B CD1 4677 C CD2 . LEU B 35 ? 0.3616 0.2172 0.3355 0.0369 -0.0163 0.0969 35 LEU B CD2 4678 N N . GLY B 36 ? 0.6279 0.3254 0.4518 0.0905 0.0248 0.0479 36 GLY B N 4679 C CA . GLY B 36 ? 0.6754 0.3585 0.4882 0.1145 0.0365 0.0384 36 GLY B CA 4680 C C . GLY B 36 ? 0.7128 0.3814 0.4906 0.1164 0.0469 0.0271 36 GLY B C 4681 O O . GLY B 36 ? 0.7349 0.4146 0.5023 0.1000 0.0470 0.0283 36 GLY B O 4682 N N . ARG B 37 ? 0.6693 0.3142 0.4301 0.1373 0.0553 0.0157 37 ARG B N 4683 C CA . ARG B 37 ? 0.7140 0.3415 0.4402 0.1433 0.0651 0.0021 37 ARG B CA 4684 C C . ARG B 37 ? 0.8392 0.4635 0.5694 0.1718 0.0750 -0.0061 37 ARG B C 4685 O O . ARG B 37 ? 0.8790 0.4883 0.6200 0.1840 0.0716 -0.0056 37 ARG B O 4686 C CB . ARG B 37 ? 0.7561 0.3318 0.4394 0.1325 0.0592 -0.0080 37 ARG B CB 4687 C CG . ARG B 37 ? 0.8189 0.3945 0.4894 0.1042 0.0515 -0.0031 37 ARG B CG 4688 C CD . ARG B 37 ? 0.8828 0.4051 0.5108 0.0944 0.0451 -0.0129 37 ARG B CD 4689 N NE . ARG B 37 ? 0.8663 0.3760 0.4985 0.0765 0.0312 -0.0042 37 ARG B NE 4690 C CZ . ARG B 37 ? 0.8994 0.3994 0.5141 0.0524 0.0236 -0.0021 37 ARG B CZ 4691 N NH1 . ARG B 37 ? 1.0019 0.5016 0.5932 0.0432 0.0285 -0.0078 37 ARG B NH1 4692 N NH2 . ARG B 37 ? 0.8377 0.3293 0.4581 0.0375 0.0110 0.0057 37 ARG B NH2 4693 N N . GLY B 38 ? 0.8427 0.4827 0.5646 0.1827 0.0871 -0.0137 38 GLY B N 4694 C CA . GLY B 38 ? 0.8547 0.4950 0.5806 0.2103 0.0970 -0.0223 38 GLY B CA 4695 C C . GLY B 38 ? 0.7849 0.4483 0.4992 0.2162 0.1096 -0.0299 38 GLY B C 4696 O O . GLY B 38 ? 0.7962 0.4603 0.4895 0.1999 0.1099 -0.0319 38 GLY B O 4697 N N . CYS B 39 ? 0.8543 0.5390 0.5831 0.2393 0.1200 -0.0336 39 CYS B N 4698 C CA . CYS B 39 ? 0.8899 0.5991 0.6080 0.2474 0.1328 -0.0417 39 CYS B CA 4699 C C . CYS B 39 ? 0.8310 0.5994 0.5803 0.2394 0.1370 -0.0267 39 CYS B C 4700 O O . CYS B 39 ? 0.7188 0.5129 0.5049 0.2356 0.1319 -0.0111 39 CYS B O 4701 C CB . CYS B 39 ? 0.8325 0.5338 0.5469 0.2772 0.1422 -0.0553 39 CYS B CB 4702 S SG . CYS B 39 ? 1.3907 1.0216 1.0620 0.2869 0.1379 -0.0760 39 CYS B SG 4703 N N . GLY B 40 ? 0.8095 0.5997 0.5437 0.2363 0.1457 -0.0315 40 GLY B N 4704 C CA . GLY B 40 ? 0.8277 0.6758 0.5894 0.2307 0.1508 -0.0182 40 GLY B CA 4705 C C . GLY B 40 ? 0.9004 0.7651 0.6673 0.2018 0.1427 -0.0048 40 GLY B C 4706 O O . GLY B 40 ? 0.7289 0.5602 0.4750 0.1851 0.1338 -0.0067 40 GLY B O 4707 N N . CYS B 41 ? 0.9244 0.8416 0.7193 0.1959 0.1457 0.0090 41 CYS B N 4708 C CA . CYS B 41 ? 0.8762 0.8161 0.6839 0.1693 0.1372 0.0241 41 CYS B CA 4709 C C . CYS B 41 ? 0.7639 0.7467 0.6218 0.1686 0.1327 0.0432 41 CYS B C 4710 O O . CYS B 41 ? 0.6405 0.6672 0.5192 0.1762 0.1402 0.0499 41 CYS B O 4711 C CB . CYS B 41 ? 0.9292 0.8921 0.7173 0.1584 0.1442 0.0223 41 CYS B CB 4712 S SG . CYS B 41 ? 1.3841 1.3589 1.1755 0.1234 0.1322 0.0367 41 CYS B SG 4713 N N . PRO B 42 ? 0.7563 0.7266 0.6338 0.1601 0.1198 0.0517 42 PRO B N 4714 C CA . PRO B 42 ? 0.5247 0.5288 0.4504 0.1588 0.1124 0.0688 42 PRO B CA 4715 C C . PRO B 42 ? 0.7838 0.8112 0.7276 0.1325 0.1008 0.0837 42 PRO B C 4716 O O . PRO B 42 ? 0.5028 0.5088 0.4223 0.1136 0.0950 0.0809 42 PRO B O 4717 C CB . PRO B 42 ? 0.5210 0.4900 0.4508 0.1673 0.1053 0.0651 42 PRO B CB 4718 C CG . PRO B 42 ? 0.5555 0.4758 0.4429 0.1563 0.1016 0.0533 42 PRO B CG 4719 C CD . PRO B 42 ? 0.7003 0.6173 0.5524 0.1562 0.1123 0.0423 42 PRO B CD 4720 N N . PRO B 43 ? 0.6719 0.7434 0.6595 0.1313 0.0968 0.0997 43 PRO B N 4721 C CA . PRO B 43 ? 0.5208 0.6181 0.5322 0.1077 0.0842 0.1149 43 PRO B CA 4722 C C . PRO B 43 ? 0.5554 0.6248 0.5675 0.0936 0.0694 0.1156 43 PRO B C 4723 O O . PRO B 43 ? 0.6017 0.6490 0.6205 0.1042 0.0657 0.1118 43 PRO B O 4724 C CB . PRO B 43 ? 0.4399 0.5834 0.5012 0.1157 0.0822 0.1299 43 PRO B CB 4725 C CG . PRO B 43 ? 0.4986 0.6495 0.5559 0.1408 0.0975 0.1229 43 PRO B CG 4726 C CD . PRO B 43 ? 0.4353 0.5365 0.4518 0.1528 0.1044 0.1038 43 PRO B CD 4727 N N . GLY B 44 ? 0.3920 0.4640 0.3975 0.0694 0.0610 0.1206 44 GLY B N 4728 C CA . GLY B 44 ? 0.4338 0.4904 0.4471 0.0534 0.0454 0.1239 44 GLY B CA 4729 C C . GLY B 44 ? 0.3759 0.4745 0.4366 0.0423 0.0329 0.1410 44 GLY B C 4730 O O . GLY B 44 ? 0.3083 0.4439 0.4002 0.0517 0.0360 0.1503 44 GLY B O 4731 N N . ASP B 45 ? 0.3015 0.3955 0.3685 0.0225 0.0184 0.1453 45 ASP B N 4732 C CA . ASP B 45 ? 0.3822 0.5146 0.4957 0.0119 0.0044 0.1606 45 ASP B CA 4733 C C . ASP B 45 ? 0.4065 0.5316 0.5157 -0.0131 -0.0099 0.1629 45 ASP B C 4734 O O . ASP B 45 ? 0.5074 0.6068 0.5775 -0.0252 -0.0071 0.1554 45 ASP B O 4735 C CB . ASP B 45 ? 0.4466 0.5873 0.5973 0.0271 -0.0015 0.1638 45 ASP B CB 4736 C CG . ASP B 45 ? 0.4379 0.6273 0.6401 0.0281 -0.0085 0.1794 45 ASP B CG 4737 O OD1 . ASP B 45 ? 0.4186 0.6328 0.6357 0.0099 -0.0174 0.1895 45 ASP B OD1 4738 O OD2 . ASP B 45 ? 0.3961 0.5975 0.6234 0.0466 -0.0056 0.1810 45 ASP B OD2 4739 N N . ASP B 46 ? 0.4005 0.5489 0.5505 -0.0207 -0.0255 0.1729 46 ASP B N 4740 C CA . ASP B 46 ? 0.5261 0.6716 0.6766 -0.0440 -0.0404 0.1753 46 ASP B CA 4741 C C . ASP B 46 ? 0.5594 0.6621 0.6799 -0.0465 -0.0428 0.1631 46 ASP B C 4742 O O . ASP B 46 ? 0.5613 0.6451 0.6553 -0.0645 -0.0470 0.1593 46 ASP B O 4743 C CB . ASP B 46 ? 0.6966 0.8657 0.8883 -0.0483 -0.0542 0.1833 46 ASP B CB 4744 C CG . ASP B 46 ? 0.8685 1.0535 1.0662 -0.0431 -0.0475 0.1875 46 ASP B CG 4745 O OD1 . ASP B 46 ? 0.8585 1.0698 1.0562 -0.0490 -0.0458 0.1970 46 ASP B OD1 4746 O OD2 . ASP B 46 ? 0.9278 1.0989 1.1282 -0.0356 -0.0437 0.1793 46 ASP B OD2 4747 N N . ASN B 47 ? 0.6274 0.7150 0.7518 -0.0287 -0.0401 0.1574 47 ASN B N 4748 C CA . ASN B 47 ? 0.6490 0.6971 0.7469 -0.0302 -0.0428 0.1469 47 ASN B CA 4749 C C . ASN B 47 ? 0.6852 0.6943 0.7367 -0.0194 -0.0276 0.1346 47 ASN B C 4750 O O . ASN B 47 ? 0.8205 0.7936 0.8359 -0.0283 -0.0283 0.1260 47 ASN B O 4751 C CB . ASN B 47 ? 0.6521 0.7057 0.7817 -0.0189 -0.0511 0.1481 47 ASN B CB 4752 C CG . ASN B 47 ? 0.7133 0.8008 0.8837 -0.0312 -0.0626 0.1494 47 ASN B CG 4753 O OD1 . ASN B 47 ? 0.8017 0.8870 0.9682 -0.0514 -0.0707 0.1466 47 ASN B OD1 4754 N ND2 . ASN B 47 ? 0.5893 0.6887 0.7776 -0.0226 -0.0532 0.1433 47 ASN B ND2 4755 N N . LEU B 48 ? 0.5595 0.5761 0.6129 0.0000 -0.0144 0.1336 48 LEU B N 4756 C CA . LEU B 48 ? 0.5459 0.5276 0.5581 0.0126 -0.0001 0.1211 48 LEU B CA 4757 C C . LEU B 48 ? 0.5150 0.4937 0.4954 0.0030 0.0083 0.1179 48 LEU B C 4758 O O . LEU B 48 ? 0.4883 0.5017 0.4850 -0.0001 0.0111 0.1260 48 LEU B O 4759 C CB . LEU B 48 ? 0.6309 0.6229 0.6585 0.0386 0.0106 0.1203 48 LEU B CB 4760 C CG . LEU B 48 ? 0.6257 0.6220 0.6847 0.0530 0.0053 0.1229 48 LEU B CG 4761 C CD1 . LEU B 48 ? 0.6522 0.6553 0.7184 0.0786 0.0184 0.1205 48 LEU B CD1 4762 C CD2 . LEU B 48 ? 0.6007 0.5568 0.6380 0.0499 -0.0009 0.1149 48 LEU B CD2 4763 N N . GLU B 49 ? 0.5700 0.5076 0.5054 -0.0017 0.0121 0.1061 49 GLU B N 4764 C CA . GLU B 49 ? 0.6535 0.5835 0.5539 -0.0073 0.0218 0.1001 49 GLU B CA 4765 C C . GLU B 49 ? 0.7289 0.6278 0.5968 0.0127 0.0355 0.0858 49 GLU B C 4766 O O . GLU B 49 ? 0.7364 0.5945 0.5811 0.0167 0.0341 0.0763 49 GLU B O 4767 C CB . GLU B 49 ? 0.7081 0.6164 0.5812 -0.0314 0.0139 0.0976 49 GLU B CB 4768 C CG . GLU B 49 ? 0.8033 0.7024 0.6386 -0.0390 0.0230 0.0909 49 GLU B CG 4769 C CD . GLU B 49 ? 0.9417 0.8118 0.7461 -0.0611 0.0154 0.0866 49 GLU B CD 4770 O OE1 . GLU B 49 ? 0.9633 0.8209 0.7751 -0.0707 0.0031 0.0888 49 GLU B OE1 4771 O OE2 . GLU B 49 ? 1.0233 0.8841 0.7956 -0.0688 0.0218 0.0807 49 GLU B OE2 4772 N N . VAL B 50 ? 0.6420 0.5609 0.5090 0.0251 0.0482 0.0844 50 VAL B N 4773 C CA . VAL B 50 ? 0.6859 0.5778 0.5212 0.0440 0.0612 0.0696 50 VAL B CA 4774 C C . VAL B 50 ? 0.7316 0.6103 0.5254 0.0349 0.0684 0.0603 50 VAL B C 4775 O O . VAL B 50 ? 0.5663 0.4768 0.3651 0.0244 0.0707 0.0669 50 VAL B O 4776 C CB . VAL B 50 ? 0.7100 0.6314 0.5694 0.0668 0.0715 0.0717 50 VAL B CB 4777 C CG1 . VAL B 50 ? 0.5665 0.4548 0.4011 0.0901 0.0816 0.0562 50 VAL B CG1 4778 C CG2 . VAL B 50 ? 0.4799 0.4278 0.3867 0.0701 0.0631 0.0849 50 VAL B CG2 4779 N N . LYS B 51 ? 0.7711 0.6029 0.5247 0.0386 0.0710 0.0452 51 LYS B N 4780 C CA . LYS B 51 ? 0.6589 0.4732 0.3707 0.0333 0.0781 0.0336 51 LYS B CA 4781 C C . LYS B 51 ? 1.0548 0.8511 0.7452 0.0581 0.0908 0.0182 51 LYS B C 4782 O O . LYS B 51 ? 0.9839 0.7413 0.6603 0.0696 0.0894 0.0087 51 LYS B O 4783 C CB . LYS B 51 ? 0.8933 0.6640 0.5726 0.0159 0.0693 0.0275 51 LYS B CB 4784 C CG . LYS B 51 ? 0.9771 0.7583 0.6734 -0.0088 0.0554 0.0404 51 LYS B CG 4785 C CD . LYS B 51 ? 1.1036 0.8388 0.7644 -0.0244 0.0475 0.0329 51 LYS B CD 4786 C CE . LYS B 51 ? 1.1277 0.8745 0.8002 -0.0508 0.0345 0.0440 51 LYS B CE 4787 N NZ . LYS B 51 ? 1.1876 0.8915 0.8235 -0.0667 0.0276 0.0367 51 LYS B NZ 4788 N N . CYS B 52 ? 1.1009 0.9262 0.7888 0.0661 0.1026 0.0156 52 CYS B N 4789 C CA . CYS B 52 ? 1.0407 0.8541 0.7093 0.0904 0.1150 -0.0001 52 CYS B CA 4790 C C . CYS B 52 ? 0.9814 0.7636 0.6019 0.0874 0.1197 -0.0172 52 CYS B C 4791 O O . CYS B 52 ? 0.9826 0.7684 0.5877 0.0667 0.1171 -0.0149 52 CYS B O 4792 C CB . CYS B 52 ? 1.0325 0.8976 0.7253 0.1027 0.1258 0.0055 52 CYS B CB 4793 S SG . CYS B 52 ? 1.0508 0.9462 0.7951 0.1190 0.1248 0.0186 52 CYS B SG 4794 N N . CYS B 53 ? 0.9105 0.6621 0.5081 0.1084 0.1262 -0.0344 53 CYS B N 4795 C CA . CYS B 53 ? 1.0294 0.7520 0.5823 0.1100 0.1313 -0.0530 53 CYS B CA 4796 C C . CYS B 53 ? 1.1264 0.8413 0.6673 0.1390 0.1424 -0.0703 53 CYS B C 4797 O O . CYS B 53 ? 1.1705 0.8916 0.7346 0.1576 0.1445 -0.0685 53 CYS B O 4798 C CB . CYS B 53 ? 0.9111 0.5797 0.4349 0.0958 0.1202 -0.0588 53 CYS B CB 4799 S SG . CYS B 53 ? 1.1984 0.8129 0.7164 0.1117 0.1133 -0.0671 53 CYS B SG 4800 N N . THR B 54 ? 1.1823 0.8854 0.6877 0.1429 0.1493 -0.0872 54 THR B N 4801 C CA . THR B 54 ? 1.2762 0.9790 0.7699 0.1701 0.1604 -0.1049 54 THR B CA 4802 C C . THR B 54 ? 1.4335 1.0814 0.8844 0.1772 0.1587 -0.1272 54 THR B C 4803 O O . THR B 54 ? 1.0773 0.6841 0.5225 0.1906 0.1538 -0.1354 54 THR B O 4804 C CB . THR B 54 ? 1.3507 1.1062 0.8450 0.1728 0.1734 -0.1063 54 THR B CB 4805 O OG1 . THR B 54 ? 1.2982 1.0790 0.7935 0.1460 0.1707 -0.0934 54 THR B OG1 4806 C CG2 . THR B 54 ? 1.2923 1.0940 0.8234 0.1903 0.1815 -0.0979 54 THR B CG2 4807 N N . SER B 55 ? 1.5809 1.2300 1.0023 0.1678 0.1622 -0.1366 55 SER B N 4808 C CA . SER B 55 ? 1.6322 1.2346 1.0110 0.1739 0.1613 -0.1592 55 SER B CA 4809 C C . SER B 55 ? 1.6318 1.1711 0.9916 0.1656 0.1474 -0.1626 55 SER B C 4810 O O . SER B 55 ? 1.7406 1.2371 1.0786 0.1816 0.1455 -0.1802 55 SER B O 4811 C CB . SER B 55 ? 1.5238 1.1443 0.8768 0.1615 0.1670 -0.1661 55 SER B CB 4812 O OG . SER B 55 ? 1.3771 1.0489 0.7388 0.1747 0.1807 -0.1697 55 SER B OG 4813 N N . PRO B 56 ? 1.4306 0.9643 0.7990 0.1409 0.1373 -0.1459 56 PRO B N 4814 C CA . PRO B 56 ? 1.3331 0.8085 0.6739 0.1295 0.1250 -0.1516 56 PRO B CA 4815 C C . PRO B 56 ? 1.3583 0.7856 0.6947 0.1458 0.1182 -0.1596 56 PRO B C 4816 O O . PRO B 56 ? 1.2185 0.5971 0.5222 0.1434 0.1114 -0.1724 56 PRO B O 4817 C CB . PRO B 56 ? 1.2735 0.7593 0.6308 0.1019 0.1158 -0.1307 56 PRO B CB 4818 C CG . PRO B 56 ? 1.2928 0.8406 0.6743 0.0949 0.1241 -0.1182 56 PRO B CG 4819 C CD . PRO B 56 ? 1.3084 0.8853 0.7075 0.1212 0.1356 -0.1231 56 PRO B CD 4820 N N . ASP B 57 ? 1.4036 0.8439 0.7712 0.1613 0.1194 -0.1524 57 ASP B N 4821 C CA . ASP B 57 ? 1.4880 0.8851 0.8558 0.1757 0.1119 -0.1570 57 ASP B CA 4822 C C . ASP B 57 ? 1.5902 0.9558 0.9589 0.1555 0.0970 -0.1446 57 ASP B C 4823 O O . ASP B 57 ? 1.7050 1.0408 1.0463 0.1374 0.0896 -0.1475 57 ASP B O 4824 C CB . ASP B 57 ? 1.4917 0.8474 0.8261 0.1948 0.1131 -0.1816 57 ASP B CB 4825 C CG . ASP B 57 ? 1.4001 0.7120 0.7358 0.2107 0.1051 -0.1864 57 ASP B CG 4826 O OD1 . ASP B 57 ? 1.3576 0.6376 0.6917 0.1958 0.0917 -0.1778 57 ASP B OD1 4827 O OD2 . ASP B 57 ? 1.3654 0.6876 0.7147 0.2338 0.1097 -0.1948 57 ASP B OD2 4828 N N . LYS B 58 ? 1.4826 0.8560 0.8828 0.1592 0.0928 -0.1312 58 LYS B N 4829 C CA . LYS B 58 ? 1.3097 0.6662 0.7187 0.1401 0.0795 -0.1166 58 LYS B CA 4830 C C . LYS B 58 ? 1.1859 0.5765 0.6053 0.1141 0.0781 -0.1021 58 LYS B C 4831 O O . LYS B 58 ? 1.1313 0.5055 0.5445 0.0924 0.0674 -0.0941 58 LYS B O 4832 C CB . LYS B 58 ? 1.3077 0.6022 0.6828 0.1346 0.0681 -0.1259 58 LYS B CB 4833 C CG . LYS B 58 ? 1.1226 0.3940 0.5102 0.1284 0.0555 -0.1145 58 LYS B CG 4834 C CD . LYS B 58 ? 1.2138 0.4356 0.5751 0.1226 0.0435 -0.1213 58 LYS B CD 4835 C CE . LYS B 58 ? 1.2571 0.4696 0.6208 0.1454 0.0447 -0.1332 58 LYS B CE 4836 N NZ . LYS B 58 ? 1.2900 0.4749 0.6263 0.1412 0.0393 -0.1453 58 LYS B NZ 4837 N N . CYS B 59 ? 1.1379 0.5781 0.5748 0.1170 0.0887 -0.0983 59 CYS B N 4838 C CA . CYS B 59 ? 1.1112 0.5855 0.5546 0.0944 0.0889 -0.0872 59 CYS B CA 4839 C C . CYS B 59 ? 1.0162 0.5254 0.5004 0.0836 0.0836 -0.0665 59 CYS B C 4840 O O . CYS B 59 ? 0.9841 0.5189 0.4764 0.0629 0.0809 -0.0557 59 CYS B O 4841 C CB . CYS B 59 ? 1.1945 0.7071 0.6367 0.1023 0.1025 -0.0928 59 CYS B CB 4842 S SG . CYS B 59 ? 1.1022 0.6500 0.5737 0.1335 0.1150 -0.0948 59 CYS B SG 4843 N N . ASN B 60 ? 0.9417 0.4540 0.4528 0.0980 0.0820 -0.0611 60 ASN B N 4844 C CA . ASN B 60 ? 0.9460 0.4934 0.4975 0.0893 0.0768 -0.0425 60 ASN B CA 4845 C C . ASN B 60 ? 1.0411 0.5616 0.5922 0.0728 0.0623 -0.0352 60 ASN B C 4846 O O . ASN B 60 ? 1.0087 0.5523 0.5927 0.0668 0.0559 -0.0212 60 ASN B O 4847 C CB . ASN B 60 ? 0.9310 0.5054 0.5168 0.1121 0.0829 -0.0384 60 ASN B CB 4848 C CG . ASN B 60 ? 1.0248 0.5616 0.6058 0.1298 0.0801 -0.0457 60 ASN B CG 4849 O OD1 . ASN B 60 ? 1.1173 0.6067 0.6651 0.1295 0.0760 -0.0570 60 ASN B OD1 4850 N ND2 . ASN B 60 ? 0.9891 0.5466 0.6038 0.1453 0.0819 -0.0388 60 ASN B ND2 4851 N N . TYR B 61 ? 1.0800 0.5526 0.5934 0.0656 0.0568 -0.0452 61 TYR B N 4852 C CA . TYR B 61 ? 1.0882 0.5334 0.5943 0.0467 0.0429 -0.0394 61 TYR B CA 4853 C C . TYR B 61 ? 1.1204 0.5982 0.6436 0.0224 0.0373 -0.0255 61 TYR B C 4854 O O . TYR B 61 ? 1.1352 0.6219 0.6807 0.0121 0.0275 -0.0138 61 TYR B O 4855 C CB . TYR B 61 ? 0.9503 0.3434 0.4101 0.0410 0.0394 -0.0529 61 TYR B CB 4856 C CG . TYR B 61 ? 1.0052 0.3680 0.4507 0.0188 0.0252 -0.0478 61 TYR B CG 4857 C CD1 . TYR B 61 ? 1.0133 0.3938 0.4613 -0.0064 0.0196 -0.0384 61 TYR B CD1 4858 C CD2 . TYR B 61 ? 1.0162 0.3320 0.4439 0.0227 0.0171 -0.0527 61 TYR B CD2 4859 C CE1 . TYR B 61 ? 0.9279 0.2826 0.3624 -0.0266 0.0069 -0.0342 61 TYR B CE1 4860 C CE2 . TYR B 61 ? 1.0443 0.3339 0.4581 0.0018 0.0041 -0.0476 61 TYR B CE2 4861 C CZ . TYR B 61 ? 1.0356 0.3455 0.4526 -0.0227 -0.0007 -0.0386 61 TYR B CZ 4862 O OH . TYR B 61 ? 1.0525 0.3502 0.4621 -0.0429 -0.0132 -0.0322 61 TYR B OH 4863 O OXT . TYR B 61 ? 1.1558 0.6522 0.6705 0.0124 0.0420 -0.0262 61 TYR B OXT 4864 C C1 . NAG C . ? 1.3452 1.1496 0.9201 0.0684 0.0194 -0.0552 601 NAG A C1 4865 C C2 . NAG C . ? 1.4497 1.2658 0.9951 0.0700 0.0182 -0.0551 601 NAG A C2 4866 C C3 . NAG C . ? 1.4682 1.3020 1.0103 0.0702 0.0267 -0.0368 601 NAG A C3 4867 C C4 . NAG C . ? 1.4298 1.2709 0.9870 0.0737 0.0418 -0.0297 601 NAG A C4 4868 C C5 . NAG C . ? 1.4199 1.2494 1.0059 0.0727 0.0413 -0.0324 601 NAG A C5 4869 C C6 . NAG C . ? 1.3805 1.2183 0.9790 0.0782 0.0559 -0.0299 601 NAG A C6 4870 C C7 . NAG C . ? 1.4607 1.2707 0.9747 0.0653 -0.0040 -0.0725 601 NAG A C7 4871 C C8 . NAG C . ? 1.4194 1.2442 0.9077 0.0659 -0.0074 -0.0663 601 NAG A C8 4872 N N2 . NAG C . ? 1.4771 1.2895 1.0153 0.0639 0.0028 -0.0583 601 NAG A N2 4873 O O3 . NAG C . ? 1.4727 1.3161 0.9837 0.0736 0.0277 -0.0393 601 NAG A O3 4874 O O4 . NAG C . ? 1.3221 1.1760 0.8826 0.0701 0.0469 -0.0105 601 NAG A O4 4875 O O5 . NAG C . ? 1.3903 1.2024 0.9765 0.0732 0.0330 -0.0483 601 NAG A O5 4876 O O6 . NAG C . ? 1.3461 1.1763 0.9473 0.0860 0.0603 -0.0444 601 NAG A O6 4877 O O7 . NAG C . ? 1.4481 1.2436 0.9594 0.0659 -0.0079 -0.0899 601 NAG A O7 4878 C C1 . NAG D . ? 1.2492 1.1188 0.8003 0.0742 0.0619 -0.0052 602 NAG A C1 4879 C C2 . NAG D . ? 1.2821 1.1602 0.8511 0.0687 0.0684 0.0144 602 NAG A C2 4880 C C3 . NAG D . ? 1.3629 1.2593 0.9214 0.0703 0.0836 0.0232 602 NAG A C3 4881 C C4 . NAG D . ? 1.2768 1.1809 0.8001 0.0741 0.0851 0.0202 602 NAG A C4 4882 C C5 . NAG D . ? 1.2543 1.1494 0.7660 0.0810 0.0794 -0.0019 602 NAG A C5 4883 C C6 . NAG D . ? 1.2887 1.1915 0.7645 0.0863 0.0812 -0.0094 602 NAG A C6 4884 C C7 . NAG D . ? 1.0816 0.9420 0.6986 0.0625 0.0591 0.0165 602 NAG A C7 4885 C C8 . NAG D . ? 0.9851 0.8397 0.6284 0.0632 0.0609 0.0126 602 NAG A C8 4886 N N2 . NAG D . ? 1.2606 1.1328 0.8598 0.0674 0.0694 0.0140 602 NAG A N2 4887 O O3 . NAG D . ? 1.4670 1.3674 1.0386 0.0630 0.0862 0.0423 602 NAG A O3 4888 O O4 . NAG D . ? 1.0780 1.0008 0.5902 0.0761 0.1007 0.0269 602 NAG A O4 4889 O O5 . NAG D . ? 1.2072 1.0857 0.7269 0.0772 0.0636 -0.0067 602 NAG A O5 4890 O O6 . NAG D . ? 1.2907 1.1814 0.7596 0.0919 0.0749 -0.0310 602 NAG A O6 4891 O O7 . NAG D . ? 0.9660 0.8215 0.5785 0.0582 0.0487 0.0218 602 NAG A O7 4892 C C1 . FUL E . ? 1.4376 1.2639 1.0127 0.0922 0.0598 -0.0602 603 FUL A C1 4893 C C2 . FUL E . ? 1.5447 1.3874 1.1068 0.1017 0.0747 -0.0635 603 FUL A C2 4894 O O2 . FUL E . ? 1.5794 1.4387 1.1203 0.1002 0.0786 -0.0556 603 FUL A O2 4895 C C3 . FUL E . ? 1.5142 1.3445 1.0635 0.1116 0.0752 -0.0849 603 FUL A C3 4896 O O3 . FUL E . ? 1.3691 1.2154 0.9047 0.1218 0.0890 -0.0901 603 FUL A O3 4897 C C4 . FUL E . ? 1.6163 1.4306 1.1901 0.1140 0.0736 -0.0893 603 FUL A C4 4898 O O4 . FUL E . ? 1.6654 1.4945 1.2612 0.1155 0.0834 -0.0773 603 FUL A O4 4899 C C5 . FUL E . ? 1.5646 1.3618 1.1503 0.1033 0.0592 -0.0858 603 FUL A C5 4900 C C6 . FUL E . ? 1.5486 1.3428 1.1647 0.1002 0.0595 -0.0754 603 FUL A C6 4901 O O5 . FUL E . ? 1.5032 1.3080 1.0805 0.0940 0.0521 -0.0756 603 FUL A O5 4902 O O1 . HUW F . ? 0.6413 0.4374 0.5413 0.0376 0.0209 0.0471 701 HUW A O1 4903 CL CL1 . HUW F . ? 0.7439 0.4582 0.5548 0.0400 0.0099 -0.0095 701 HUW A CL1 4904 C C1 . HUW F . ? 0.8641 0.5881 0.6881 0.0458 0.0162 -0.0004 701 HUW A C1 4905 N N1 . HUW F . ? 0.6751 0.4108 0.5325 0.0420 0.0171 0.0200 701 HUW A N1 4906 C C3 . HUW F . ? 0.7899 0.5239 0.6367 0.0459 0.0187 0.0135 701 HUW A C3 4907 C C4 . HUW F . ? 0.6476 0.3917 0.5140 0.0460 0.0202 0.0256 701 HUW A C4 4908 N N2 . HUW F . ? 0.7549 0.5168 0.6134 0.0647 0.0326 0.0183 701 HUW A N2 4909 C C14 . HUW F . ? 0.7456 0.4971 0.6029 0.0574 0.0272 0.0191 701 HUW A C14 4910 C C2 . HUW F . ? 0.8905 0.6163 0.7276 0.0414 0.0145 0.0072 701 HUW A C2 4911 C C17 . HUW F . ? 0.8429 0.5747 0.6649 0.0545 0.0228 -0.0010 701 HUW A C17 4912 C C15 . HUW F . ? 0.7934 0.5353 0.6392 0.0541 0.0243 0.0128 701 HUW A C15 4913 C C5 . HUW F . ? 0.5620 0.3077 0.4379 0.0413 0.0181 0.0319 701 HUW A C5 4914 C C13 . HUW F . ? 0.6456 0.3975 0.5123 0.0534 0.0248 0.0251 701 HUW A C13 4915 C C6 . HUW F . ? 0.5424 0.3031 0.4277 0.0442 0.0204 0.0370 701 HUW A C6 4916 C C7 . HUW F . ? 0.4490 0.2216 0.3351 0.0422 0.0209 0.0384 701 HUW A C7 4917 C C12 . HUW F . ? 0.6102 0.3697 0.4945 0.0532 0.0240 0.0353 701 HUW A C12 4918 C C8 . HUW F . ? 0.3728 0.1534 0.2572 0.0460 0.0244 0.0374 701 HUW A C8 4919 C C9 . HUW F . ? 0.4734 0.2530 0.3555 0.0539 0.0284 0.0339 701 HUW A C9 4920 C C18 . HUW F . ? 0.3810 0.1724 0.2662 0.0427 0.0250 0.0402 701 HUW A C18 4921 C C11 . HUW F . ? 0.5389 0.3017 0.4163 0.0570 0.0270 0.0306 701 HUW A C11 4922 C C10 . HUW F . ? 0.5328 0.3254 0.4231 0.0371 0.0208 0.0441 701 HUW A C10 4923 C C16 . HUW F . ? 0.8431 0.5844 0.6769 0.0584 0.0268 0.0057 701 HUW A C16 4924 CL CL . CL G . ? 0.5605 0.2792 0.5494 -0.0046 0.0011 0.0608 802 CL A CL 4925 CL CL . CL H . ? 0.6966 0.5794 0.7368 0.1434 -0.0112 0.0266 803 CL A CL 4926 CL CL . CL I . ? 1.0677 0.9551 0.6753 0.0771 -0.1155 0.1464 804 CL A CL 4927 CL CL . CL J . ? 0.7904 0.7428 0.6860 -0.0092 0.1091 0.1555 805 CL A CL 4928 CL CL . CL K . ? 1.2832 0.9504 1.0871 -0.0271 0.0450 0.2469 806 CL A CL 4929 CL CL . CL L . ? 0.8642 0.4291 0.7435 0.1348 0.0010 0.0780 807 CL A CL 4930 CL CL . CL M . ? 0.9143 0.8354 0.8734 0.0830 0.0343 0.0151 808 CL A CL 4931 CL CL . CL N . ? 1.0543 1.0711 0.8763 0.2847 -0.1139 0.1569 809 CL A CL 4932 CL CL . CL O . ? 0.5825 0.5588 0.5619 0.0068 -0.0965 0.0442 810 CL A CL 4933 CL CL . CL P . ? 0.9849 0.8593 0.7016 0.0930 -0.1215 0.1658 811 CL A CL 4934 S S . SO4 Q . ? 0.9113 1.1181 1.1070 0.0237 0.0118 0.0534 812 SO4 A S 4935 O O1 . SO4 Q . ? 0.9047 1.1012 1.0950 0.0046 0.0155 0.0573 812 SO4 A O1 4936 O O2 . SO4 Q . ? 0.8338 1.0672 1.0421 0.0314 0.0217 0.0522 812 SO4 A O2 4937 O O3 . SO4 Q . ? 1.0744 1.2998 1.2853 0.0245 0.0006 0.0517 812 SO4 A O3 4938 O O4 . SO4 Q . ? 0.7966 0.9699 0.9707 0.0346 0.0089 0.0522 812 SO4 A O4 # 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 GLU 1 1 ? ? ? A . n A 1 2 GLY 2 2 ? ? ? A . n A 1 3 ARG 3 3 ? ? ? A . n A 1 4 GLU 4 4 ? ? ? A . n A 1 5 ASP 5 5 5 ASP ASP A . n A 1 6 ALA 6 6 6 ALA ALA A . n A 1 7 GLU 7 7 7 GLU GLU A . n A 1 8 LEU 8 8 8 LEU LEU A . n A 1 9 LEU 9 9 9 LEU LEU A . n A 1 10 VAL 10 10 10 VAL VAL A . n A 1 11 THR 11 11 11 THR THR A . n A 1 12 VAL 12 12 12 VAL VAL A . n A 1 13 ARG 13 13 13 ARG ARG A . n A 1 14 GLY 14 14 14 GLY GLY A . n A 1 15 GLY 15 15 15 GLY GLY A . n A 1 16 ARG 16 16 16 ARG ARG A . n A 1 17 LEU 17 17 17 LEU LEU A . n A 1 18 ARG 18 18 18 ARG ARG A . n A 1 19 GLY 19 19 19 GLY GLY A . n A 1 20 ILE 20 20 20 ILE ILE A . n A 1 21 ARG 21 21 21 ARG ARG A . n A 1 22 LEU 22 22 22 LEU LEU A . n A 1 23 LYS 23 23 23 LYS LYS A . n A 1 24 THR 24 24 24 THR THR A . n A 1 25 PRO 25 25 25 PRO PRO A . n A 1 26 GLY 26 26 26 GLY GLY A . n A 1 27 GLY 27 27 27 GLY GLY A . n A 1 28 PRO 28 28 28 PRO PRO A . n A 1 29 VAL 29 29 29 VAL VAL A . n A 1 30 SER 30 30 30 SER SER A . n A 1 31 ALA 31 31 31 ALA ALA A . n A 1 32 PHE 32 32 32 PHE PHE A . n A 1 33 LEU 33 33 33 LEU LEU A . n A 1 34 GLY 34 34 34 GLY GLY A . n A 1 35 ILE 35 35 35 ILE ILE A . n A 1 36 PRO 36 36 36 PRO PRO A . n A 1 37 PHE 37 37 37 PHE PHE A . n A 1 38 ALA 38 38 38 ALA ALA A . n A 1 39 GLU 39 39 39 GLU GLU A . n A 1 40 PRO 40 40 40 PRO PRO A . n A 1 41 PRO 41 41 41 PRO PRO A . n A 1 42 MET 42 42 42 MET MET A . n A 1 43 GLY 43 43 43 GLY GLY A . n A 1 44 PRO 44 44 44 PRO PRO A . n A 1 45 ARG 45 45 45 ARG ARG A . n A 1 46 ARG 46 46 46 ARG ARG A . n A 1 47 PHE 47 47 47 PHE PHE A . n A 1 48 LEU 48 48 48 LEU LEU A . n A 1 49 PRO 49 49 49 PRO PRO A . n A 1 50 PRO 50 50 50 PRO PRO A . n A 1 51 GLU 51 51 51 GLU GLU A . n A 1 52 PRO 52 52 52 PRO PRO A . n A 1 53 LYS 53 53 53 LYS LYS A . n A 1 54 GLN 54 54 54 GLN GLN A . n A 1 55 PRO 55 55 55 PRO PRO A . n A 1 56 TRP 56 56 56 TRP TRP A . n A 1 57 SER 57 57 57 SER SER A . n A 1 58 GLY 58 58 58 GLY GLY A . n A 1 59 VAL 59 59 59 VAL VAL A . n A 1 60 VAL 60 60 60 VAL VAL A . n A 1 61 ASP 61 61 61 ASP ASP A . n A 1 62 ALA 62 62 62 ALA ALA A . n A 1 63 THR 63 63 63 THR THR A . n A 1 64 THR 64 64 64 THR THR A . n A 1 65 PHE 65 65 65 PHE PHE A . n A 1 66 GLN 66 66 66 GLN GLN A . n A 1 67 SER 67 67 67 SER SER A . n A 1 68 VAL 68 68 68 VAL VAL A . n A 1 69 CYS 69 69 69 CYS CYS A . n A 1 70 TYR 70 70 70 TYR TYR A . n A 1 71 GLN 71 71 71 GLN GLN A . n A 1 72 TYR 72 72 72 TYR TYR A . n A 1 73 VAL 73 73 73 VAL VAL A . n A 1 74 ASP 74 74 74 ASP ASP A . n A 1 75 THR 75 75 75 THR THR A . n A 1 76 LEU 76 76 76 LEU LEU A . n A 1 77 TYR 77 77 77 TYR TYR A . n A 1 78 PRO 78 78 78 PRO PRO A . n A 1 79 GLY 79 79 79 GLY GLY A . n A 1 80 PHE 80 80 80 PHE PHE A . n A 1 81 GLU 81 81 81 GLU GLU A . n A 1 82 GLY 82 82 82 GLY GLY A . n A 1 83 THR 83 83 83 THR THR A . n A 1 84 GLU 84 84 84 GLU GLU A . n A 1 85 MET 85 85 85 MET MET A . n A 1 86 TRP 86 86 86 TRP TRP A . n A 1 87 ASN 87 87 87 ASN ASN A . n A 1 88 PRO 88 88 88 PRO PRO A . n A 1 89 ASN 89 89 89 ASN ASN A . n A 1 90 ARG 90 90 90 ARG ARG A . n A 1 91 GLU 91 91 91 GLU GLU A . n A 1 92 LEU 92 92 92 LEU LEU A . n A 1 93 SER 93 93 93 SER SER A . n A 1 94 GLU 94 94 94 GLU GLU A . n A 1 95 ASP 95 95 95 ASP ASP A . n A 1 96 CYS 96 96 96 CYS CYS A . n A 1 97 LEU 97 97 97 LEU LEU A . n A 1 98 TYR 98 98 98 TYR TYR A . n A 1 99 LEU 99 99 99 LEU LEU A . n A 1 100 ASN 100 100 100 ASN ASN A . n A 1 101 VAL 101 101 101 VAL VAL A . n A 1 102 TRP 102 102 102 TRP TRP A . n A 1 103 THR 103 103 103 THR THR A . n A 1 104 PRO 104 104 104 PRO PRO A . n A 1 105 TYR 105 105 105 TYR TYR A . n A 1 106 PRO 106 106 106 PRO PRO A . n A 1 107 ARG 107 107 107 ARG ARG A . n A 1 108 PRO 108 108 108 PRO PRO A . n A 1 109 THR 109 109 109 THR THR A . n A 1 110 SER 110 110 110 SER SER A . n A 1 111 PRO 111 111 111 PRO PRO A . n A 1 112 THR 112 112 112 THR THR A . n A 1 113 PRO 113 113 113 PRO PRO A . n A 1 114 VAL 114 114 114 VAL VAL A . n A 1 115 LEU 115 115 115 LEU LEU A . n A 1 116 VAL 116 116 116 VAL VAL A . n A 1 117 TRP 117 117 117 TRP TRP A . n A 1 118 ILE 118 118 118 ILE ILE A . n A 1 119 TYR 119 119 119 TYR TYR A . n A 1 120 GLY 120 120 120 GLY GLY A . n A 1 121 GLY 121 121 121 GLY GLY A . n A 1 122 GLY 122 122 122 GLY GLY A . n A 1 123 PHE 123 123 123 PHE PHE A . n A 1 124 TYR 124 124 124 TYR TYR A . n A 1 125 SER 125 125 125 SER SER A . n A 1 126 GLY 126 126 126 GLY GLY A . n A 1 127 ALA 127 127 127 ALA ALA A . n A 1 128 SER 128 128 128 SER SER A . n A 1 129 SER 129 129 129 SER SER A . n A 1 130 LEU 130 130 130 LEU LEU A . n A 1 131 ASP 131 131 131 ASP ASP A . n A 1 132 VAL 132 132 132 VAL VAL A . n A 1 133 TYR 133 133 133 TYR TYR A . n A 1 134 ASP 134 134 134 ASP ASP A . n A 1 135 GLY 135 135 135 GLY GLY A . n A 1 136 ARG 136 136 136 ARG ARG A . n A 1 137 PHE 137 137 137 PHE PHE A . n A 1 138 LEU 138 138 138 LEU LEU A . n A 1 139 VAL 139 139 139 VAL VAL A . n A 1 140 GLN 140 140 140 GLN GLN A . n A 1 141 ALA 141 141 141 ALA ALA A . n A 1 142 GLU 142 142 142 GLU GLU A . n A 1 143 ARG 143 143 143 ARG ARG A . n A 1 144 THR 144 144 144 THR THR A . n A 1 145 VAL 145 145 145 VAL VAL A . n A 1 146 LEU 146 146 146 LEU LEU A . n A 1 147 VAL 147 147 147 VAL VAL A . n A 1 148 SER 148 148 148 SER SER A . n A 1 149 MET 149 149 149 MET MET A . n A 1 150 ASN 150 150 150 ASN ASN A . n A 1 151 TYR 151 151 151 TYR TYR A . n A 1 152 ARG 152 152 152 ARG ARG A . n A 1 153 VAL 153 153 153 VAL VAL A . n A 1 154 GLY 154 154 154 GLY GLY A . n A 1 155 ALA 155 155 155 ALA ALA A . n A 1 156 PHE 156 156 156 PHE PHE A . n A 1 157 GLY 157 157 157 GLY GLY A . n A 1 158 PHE 158 158 158 PHE PHE A . n A 1 159 LEU 159 159 159 LEU LEU A . n A 1 160 ALA 160 160 160 ALA ALA A . n A 1 161 LEU 161 161 161 LEU LEU A . n A 1 162 PRO 162 162 162 PRO PRO A . n A 1 163 GLY 163 163 163 GLY GLY A . n A 1 164 SER 164 164 164 SER SER A . n A 1 165 ARG 165 165 165 ARG ARG A . n A 1 166 GLU 166 166 166 GLU GLU A . n A 1 167 ALA 167 167 167 ALA ALA A . n A 1 168 PRO 168 168 168 PRO PRO A . n A 1 169 GLY 169 169 169 GLY GLY A . n A 1 170 ASN 170 170 170 ASN ASN A . n A 1 171 VAL 171 171 171 VAL VAL A . n A 1 172 GLY 172 172 172 GLY GLY A . n A 1 173 LEU 173 173 173 LEU LEU A . n A 1 174 LEU 174 174 174 LEU LEU A . n A 1 175 ASP 175 175 175 ASP ASP A . n A 1 176 GLN 176 176 176 GLN GLN A . n A 1 177 ARG 177 177 177 ARG ARG A . n A 1 178 LEU 178 178 178 LEU LEU A . n A 1 179 ALA 179 179 179 ALA ALA A . n A 1 180 LEU 180 180 180 LEU LEU A . n A 1 181 GLN 181 181 181 GLN GLN A . n A 1 182 TRP 182 182 182 TRP TRP A . n A 1 183 VAL 183 183 183 VAL VAL A . n A 1 184 GLN 184 184 184 GLN GLN A . n A 1 185 GLU 185 185 185 GLU GLU A . n A 1 186 ASN 186 186 186 ASN ASN A . n A 1 187 VAL 187 187 187 VAL VAL A . n A 1 188 ALA 188 188 188 ALA ALA A . n A 1 189 ALA 189 189 189 ALA ALA A . n A 1 190 PHE 190 190 190 PHE PHE A . n A 1 191 GLY 191 191 191 GLY GLY A . n A 1 192 GLY 192 192 192 GLY GLY A . n A 1 193 ASP 193 193 193 ASP ASP A . n A 1 194 PRO 194 194 194 PRO PRO A . n A 1 195 THR 195 195 195 THR THR A . n A 1 196 SER 196 196 196 SER SER A . n A 1 197 VAL 197 197 197 VAL VAL A . n A 1 198 THR 198 198 198 THR THR A . n A 1 199 LEU 199 199 199 LEU LEU A . n A 1 200 PHE 200 200 200 PHE PHE A . n A 1 201 GLY 201 201 201 GLY GLY A . n A 1 202 GLU 202 202 202 GLU GLU A . n A 1 203 SER 203 203 203 SER SER A . n A 1 204 ALA 204 204 204 ALA ALA A . n A 1 205 GLY 205 205 205 GLY GLY A . n A 1 206 ALA 206 206 206 ALA ALA A . n A 1 207 ALA 207 207 207 ALA ALA A . n A 1 208 SER 208 208 208 SER SER A . n A 1 209 VAL 209 209 209 VAL VAL A . n A 1 210 GLY 210 210 210 GLY GLY A . n A 1 211 MET 211 211 211 MET MET A . n A 1 212 HIS 212 212 212 HIS HIS A . n A 1 213 LEU 213 213 213 LEU LEU A . n A 1 214 LEU 214 214 214 LEU LEU A . n A 1 215 SER 215 215 215 SER SER A . n A 1 216 PRO 216 216 216 PRO PRO A . n A 1 217 PRO 217 217 217 PRO PRO A . n A 1 218 SER 218 218 218 SER SER A . n A 1 219 ARG 219 219 219 ARG ARG A . n A 1 220 GLY 220 220 220 GLY GLY A . n A 1 221 LEU 221 221 221 LEU LEU A . n A 1 222 PHE 222 222 222 PHE PHE A . n A 1 223 HIS 223 223 223 HIS HIS A . n A 1 224 ARG 224 224 224 ARG ARG A . n A 1 225 ALA 225 225 225 ALA ALA A . n A 1 226 VAL 226 226 226 VAL VAL A . n A 1 227 LEU 227 227 227 LEU LEU A . n A 1 228 GLN 228 228 228 GLN GLN A . n A 1 229 SER 229 229 229 SER SER A . n A 1 230 GLY 230 230 230 GLY GLY A . n A 1 231 ALA 231 231 231 ALA ALA A . n A 1 232 PRO 232 232 232 PRO PRO A . n A 1 233 ASN 233 233 233 ASN ASN A . n A 1 234 GLY 234 234 234 GLY GLY A . n A 1 235 PRO 235 235 235 PRO PRO A . n A 1 236 TRP 236 236 236 TRP TRP A . n A 1 237 ALA 237 237 237 ALA ALA A . n A 1 238 THR 238 238 238 THR THR A . n A 1 239 VAL 239 239 239 VAL VAL A . n A 1 240 GLY 240 240 240 GLY GLY A . n A 1 241 MET 241 241 241 MET MET A . n A 1 242 GLY 242 242 242 GLY GLY A . n A 1 243 GLU 243 243 243 GLU GLU A . n A 1 244 ALA 244 244 244 ALA ALA A . n A 1 245 ARG 245 245 245 ARG ARG A . n A 1 246 ARG 246 246 246 ARG ARG A . n A 1 247 ARG 247 247 247 ARG ARG A . n A 1 248 ALA 248 248 248 ALA ALA A . n A 1 249 THR 249 249 249 THR THR A . n A 1 250 GLN 250 250 250 GLN GLN A . n A 1 251 LEU 251 251 251 LEU LEU A . n A 1 252 ALA 252 252 252 ALA ALA A . n A 1 253 HIS 253 253 253 HIS HIS A . n A 1 254 LEU 254 254 254 LEU LEU A . n A 1 255 VAL 255 255 255 VAL VAL A . n A 1 256 GLY 256 256 256 GLY GLY A . n A 1 257 CYS 257 257 257 CYS CYS A . n A 1 258 PRO 258 258 258 PRO PRO A . n A 1 259 PRO 259 259 259 PRO PRO A . n A 1 260 GLY 260 260 260 GLY GLY A . n A 1 261 GLY 261 261 261 GLY GLY A . n A 1 262 THR 262 262 262 THR THR A . n A 1 263 GLY 263 263 263 GLY GLY A . n A 1 264 GLY 264 264 264 GLY GLY A . n A 1 265 ASN 265 265 265 ASN ASN A . n A 1 266 ASP 266 266 266 ASP ASP A . n A 1 267 THR 267 267 267 THR THR A . n A 1 268 GLU 268 268 268 GLU GLU A . n A 1 269 LEU 269 269 269 LEU LEU A . n A 1 270 VAL 270 270 270 VAL VAL A . n A 1 271 ALA 271 271 271 ALA ALA A . n A 1 272 CYS 272 272 272 CYS CYS A . n A 1 273 LEU 273 273 273 LEU LEU A . n A 1 274 ARG 274 274 274 ARG ARG A . n A 1 275 THR 275 275 275 THR THR A . n A 1 276 ARG 276 276 276 ARG ARG A . n A 1 277 PRO 277 277 277 PRO PRO A . n A 1 278 ALA 278 278 278 ALA ALA A . n A 1 279 GLN 279 279 279 GLN GLN A . n A 1 280 VAL 280 280 280 VAL VAL A . n A 1 281 LEU 281 281 281 LEU LEU A . n A 1 282 VAL 282 282 282 VAL VAL A . n A 1 283 ASN 283 283 283 ASN ASN A . n A 1 284 HIS 284 284 284 HIS HIS A . n A 1 285 GLU 285 285 285 GLU GLU A . n A 1 286 TRP 286 286 286 TRP TRP A . n A 1 287 HIS 287 287 287 HIS HIS A . n A 1 288 VAL 288 288 288 VAL VAL A . n A 1 289 LEU 289 289 289 LEU LEU A . n A 1 290 PRO 290 290 290 PRO PRO A . n A 1 291 GLN 291 291 291 GLN GLN A . n A 1 292 GLU 292 292 292 GLU GLU A . n A 1 293 SER 293 293 293 SER SER A . n A 1 294 VAL 294 294 294 VAL VAL A . n A 1 295 PHE 295 295 295 PHE PHE A . n A 1 296 ARG 296 296 296 ARG ARG A . n A 1 297 PHE 297 297 297 PHE PHE A . n A 1 298 SER 298 298 298 SER SER A . n A 1 299 PHE 299 299 299 PHE PHE A . n A 1 300 VAL 300 300 300 VAL VAL A . n A 1 301 PRO 301 301 301 PRO PRO A . n A 1 302 VAL 302 302 302 VAL VAL A . n A 1 303 VAL 303 303 303 VAL VAL A . n A 1 304 ASP 304 304 304 ASP ASP A . n A 1 305 GLY 305 305 305 GLY GLY A . n A 1 306 ASP 306 306 306 ASP ASP A . n A 1 307 PHE 307 307 307 PHE PHE A . n A 1 308 LEU 308 308 308 LEU LEU A . n A 1 309 SER 309 309 309 SER SER A . n A 1 310 ASP 310 310 310 ASP ASP A . n A 1 311 THR 311 311 311 THR THR A . n A 1 312 PRO 312 312 312 PRO PRO A . n A 1 313 GLU 313 313 313 GLU GLU A . n A 1 314 ALA 314 314 314 ALA ALA A . n A 1 315 LEU 315 315 315 LEU LEU A . n A 1 316 ILE 316 316 316 ILE ILE A . n A 1 317 ASN 317 317 317 ASN ASN A . n A 1 318 ALA 318 318 318 ALA ALA A . n A 1 319 GLY 319 319 319 GLY GLY A . n A 1 320 ASP 320 320 320 ASP ASP A . n A 1 321 PHE 321 321 321 PHE PHE A . n A 1 322 HIS 322 322 322 HIS HIS A . n A 1 323 GLY 323 323 323 GLY GLY A . n A 1 324 LEU 324 324 324 LEU LEU A . n A 1 325 GLN 325 325 325 GLN GLN A . n A 1 326 VAL 326 326 326 VAL VAL A . n A 1 327 LEU 327 327 327 LEU LEU A . n A 1 328 VAL 328 328 328 VAL VAL A . n A 1 329 GLY 329 329 329 GLY GLY A . n A 1 330 VAL 330 330 330 VAL VAL A . n A 1 331 VAL 331 331 331 VAL VAL A . n A 1 332 LYS 332 332 332 LYS LYS A . n A 1 333 ASP 333 333 333 ASP ASP A . n A 1 334 GLU 334 334 334 GLU GLU A . n A 1 335 GLY 335 335 335 GLY GLY A . n A 1 336 SER 336 336 336 SER SER A . n A 1 337 TYR 337 337 337 TYR TYR A . n A 1 338 PHE 338 338 338 PHE PHE A . n A 1 339 LEU 339 339 339 LEU LEU A . n A 1 340 VAL 340 340 340 VAL VAL A . n A 1 341 TYR 341 341 341 TYR TYR A . n A 1 342 GLY 342 342 342 GLY GLY A . n A 1 343 ALA 343 343 343 ALA ALA A . n A 1 344 PRO 344 344 344 PRO PRO A . n A 1 345 GLY 345 345 345 GLY GLY A . n A 1 346 PHE 346 346 346 PHE PHE A . n A 1 347 SER 347 347 347 SER SER A . n A 1 348 LYS 348 348 348 LYS LYS A . n A 1 349 ASP 349 349 349 ASP ASP A . n A 1 350 ASN 350 350 350 ASN ASN A . n A 1 351 GLU 351 351 351 GLU GLU A . n A 1 352 SER 352 352 352 SER SER A . n A 1 353 LEU 353 353 353 LEU LEU A . n A 1 354 ILE 354 354 354 ILE ILE A . n A 1 355 SER 355 355 355 SER SER A . n A 1 356 ARG 356 356 356 ARG ARG A . n A 1 357 ALA 357 357 357 ALA ALA A . n A 1 358 GLU 358 358 358 GLU GLU A . n A 1 359 PHE 359 359 359 PHE PHE A . n A 1 360 LEU 360 360 360 LEU LEU A . n A 1 361 ALA 361 361 361 ALA ALA A . n A 1 362 GLY 362 362 362 GLY GLY A . n A 1 363 VAL 363 363 363 VAL VAL A . n A 1 364 ARG 364 364 364 ARG ARG A . n A 1 365 VAL 365 365 365 VAL VAL A . n A 1 366 GLY 366 366 366 GLY GLY A . n A 1 367 VAL 367 367 367 VAL VAL A . n A 1 368 PRO 368 368 368 PRO PRO A . n A 1 369 GLN 369 369 369 GLN GLN A . n A 1 370 VAL 370 370 370 VAL VAL A . n A 1 371 SER 371 371 371 SER SER A . n A 1 372 ASP 372 372 372 ASP ASP A . n A 1 373 LEU 373 373 373 LEU LEU A . n A 1 374 ALA 374 374 374 ALA ALA A . n A 1 375 ALA 375 375 375 ALA ALA A . n A 1 376 GLU 376 376 376 GLU GLU A . n A 1 377 ALA 377 377 377 ALA ALA A . n A 1 378 VAL 378 378 378 VAL VAL A . n A 1 379 VAL 379 379 379 VAL VAL A . n A 1 380 LEU 380 380 380 LEU LEU A . n A 1 381 HIS 381 381 381 HIS HIS A . n A 1 382 TYR 382 382 382 TYR TYR A . n A 1 383 THR 383 383 383 THR THR A . n A 1 384 ASP 384 384 384 ASP ASP A . n A 1 385 TRP 385 385 385 TRP TRP A . n A 1 386 LEU 386 386 386 LEU LEU A . n A 1 387 HIS 387 387 387 HIS HIS A . n A 1 388 PRO 388 388 388 PRO PRO A . n A 1 389 GLU 389 389 389 GLU GLU A . n A 1 390 ASP 390 390 390 ASP ASP A . n A 1 391 PRO 391 391 391 PRO PRO A . n A 1 392 ALA 392 392 392 ALA ALA A . n A 1 393 ARG 393 393 393 ARG ARG A . n A 1 394 LEU 394 394 394 LEU LEU A . n A 1 395 ARG 395 395 395 ARG ARG A . n A 1 396 GLU 396 396 396 GLU GLU A . n A 1 397 ALA 397 397 397 ALA ALA A . n A 1 398 LEU 398 398 398 LEU LEU A . n A 1 399 SER 399 399 399 SER SER A . n A 1 400 ASP 400 400 400 ASP ASP A . n A 1 401 VAL 401 401 401 VAL VAL A . n A 1 402 VAL 402 402 402 VAL VAL A . n A 1 403 GLY 403 403 403 GLY GLY A . n A 1 404 ASP 404 404 404 ASP ASP A . n A 1 405 HIS 405 405 405 HIS HIS A . n A 1 406 ASN 406 406 406 ASN ASN A . n A 1 407 VAL 407 407 407 VAL VAL A . n A 1 408 VAL 408 408 408 VAL VAL A . n A 1 409 CYS 409 409 409 CYS CYS A . n A 1 410 PRO 410 410 410 PRO PRO A . n A 1 411 VAL 411 411 411 VAL VAL A . n A 1 412 ALA 412 412 412 ALA ALA A . n A 1 413 GLN 413 413 413 GLN GLN A . n A 1 414 LEU 414 414 414 LEU LEU A . n A 1 415 ALA 415 415 415 ALA ALA A . n A 1 416 GLY 416 416 416 GLY GLY A . n A 1 417 ARG 417 417 417 ARG ARG A . n A 1 418 LEU 418 418 418 LEU LEU A . n A 1 419 ALA 419 419 419 ALA ALA A . n A 1 420 ALA 420 420 420 ALA ALA A . n A 1 421 GLN 421 421 421 GLN GLN A . n A 1 422 GLY 422 422 422 GLY GLY A . n A 1 423 ALA 423 423 423 ALA ALA A . n A 1 424 ARG 424 424 424 ARG ARG A . n A 1 425 VAL 425 425 425 VAL VAL A . n A 1 426 TYR 426 426 426 TYR TYR A . n A 1 427 ALA 427 427 427 ALA ALA A . n A 1 428 TYR 428 428 428 TYR TYR A . n A 1 429 VAL 429 429 429 VAL VAL A . n A 1 430 PHE 430 430 430 PHE PHE A . n A 1 431 GLU 431 431 431 GLU GLU A . n A 1 432 HIS 432 432 432 HIS HIS A . n A 1 433 ARG 433 433 433 ARG ARG A . n A 1 434 ALA 434 434 434 ALA ALA A . n A 1 435 SER 435 435 435 SER SER A . n A 1 436 THR 436 436 436 THR THR A . n A 1 437 LEU 437 437 437 LEU LEU A . n A 1 438 SER 438 438 438 SER SER A . n A 1 439 TRP 439 439 439 TRP TRP A . n A 1 440 PRO 440 440 440 PRO PRO A . n A 1 441 LEU 441 441 441 LEU LEU A . n A 1 442 TRP 442 442 442 TRP TRP A . n A 1 443 MET 443 443 443 MET MET A . n A 1 444 GLY 444 444 444 GLY GLY A . n A 1 445 VAL 445 445 445 VAL VAL A . n A 1 446 PRO 446 446 446 PRO PRO A . n A 1 447 HIS 447 447 447 HIS HIS A . n A 1 448 GLY 448 448 448 GLY GLY A . n A 1 449 TYR 449 449 449 TYR TYR A . n A 1 450 GLU 450 450 450 GLU GLU A . n A 1 451 ILE 451 451 451 ILE ILE A . n A 1 452 GLU 452 452 452 GLU GLU A . n A 1 453 PHE 453 453 453 PHE PHE A . n A 1 454 ILE 454 454 454 ILE ILE A . n A 1 455 PHE 455 455 455 PHE PHE A . n A 1 456 GLY 456 456 456 GLY GLY A . n A 1 457 ILE 457 457 457 ILE ILE A . n A 1 458 PRO 458 458 458 PRO PRO A . n A 1 459 LEU 459 459 459 LEU LEU A . n A 1 460 ASP 460 460 460 ASP ASP A . n A 1 461 PRO 461 461 461 PRO PRO A . n A 1 462 SER 462 462 462 SER SER A . n A 1 463 ARG 463 463 463 ARG ARG A . n A 1 464 ASN 464 464 464 ASN ASN A . n A 1 465 TYR 465 465 465 TYR TYR A . n A 1 466 THR 466 466 466 THR THR A . n A 1 467 ALA 467 467 467 ALA ALA A . n A 1 468 GLU 468 468 468 GLU GLU A . n A 1 469 GLU 469 469 469 GLU GLU A . n A 1 470 LYS 470 470 470 LYS LYS A . n A 1 471 ILE 471 471 471 ILE ILE A . n A 1 472 PHE 472 472 472 PHE PHE A . n A 1 473 ALA 473 473 473 ALA ALA A . n A 1 474 GLN 474 474 474 GLN GLN A . n A 1 475 ARG 475 475 475 ARG ARG A . n A 1 476 LEU 476 476 476 LEU LEU A . n A 1 477 MET 477 477 477 MET MET A . n A 1 478 ARG 478 478 478 ARG ARG A . n A 1 479 TYR 479 479 479 TYR TYR A . n A 1 480 TRP 480 480 480 TRP TRP A . n A 1 481 ALA 481 481 481 ALA ALA A . n A 1 482 ASN 482 482 482 ASN ASN A . n A 1 483 PHE 483 483 483 PHE PHE A . n A 1 484 ALA 484 484 484 ALA ALA A . n A 1 485 ARG 485 485 485 ARG ARG A . n A 1 486 THR 486 486 486 THR THR A . n A 1 487 GLY 487 487 487 GLY GLY A . n A 1 488 ASP 488 488 488 ASP ASP A . n A 1 489 PRO 489 489 489 PRO PRO A . n A 1 490 ASN 490 490 490 ASN ASN A . n A 1 491 GLU 491 491 491 GLU GLU A . n A 1 492 PRO 492 492 492 PRO PRO A . n A 1 493 ARG 493 493 493 ARG ARG A . n A 1 494 ASP 494 494 494 ASP ASP A . n A 1 495 PRO 495 495 495 PRO PRO A . n A 1 496 LYS 496 496 496 LYS LYS A . n A 1 497 ALA 497 497 497 ALA ALA A . n A 1 498 PRO 498 498 498 PRO PRO A . n A 1 499 GLN 499 499 499 GLN GLN A . n A 1 500 TRP 500 500 500 TRP TRP A . n A 1 501 PRO 501 501 501 PRO PRO A . n A 1 502 PRO 502 502 502 PRO PRO A . n A 1 503 TYR 503 503 503 TYR TYR A . n A 1 504 THR 504 504 504 THR THR A . n A 1 505 ALA 505 505 505 ALA ALA A . n A 1 506 GLY 506 506 506 GLY GLY A . n A 1 507 ALA 507 507 507 ALA ALA A . n A 1 508 GLN 508 508 508 GLN GLN A . n A 1 509 GLN 509 509 509 GLN GLN A . n A 1 510 TYR 510 510 510 TYR TYR A . n A 1 511 VAL 511 511 511 VAL VAL A . n A 1 512 SER 512 512 512 SER SER A . n A 1 513 LEU 513 513 513 LEU LEU A . n A 1 514 ASP 514 514 514 ASP ASP A . n A 1 515 LEU 515 515 515 LEU LEU A . n A 1 516 ARG 516 516 516 ARG ARG A . n A 1 517 PRO 517 517 517 PRO PRO A . n A 1 518 LEU 518 518 518 LEU LEU A . n A 1 519 GLU 519 519 519 GLU GLU A . n A 1 520 VAL 520 520 520 VAL VAL A . n A 1 521 ARG 521 521 521 ARG ARG A . n A 1 522 ARG 522 522 522 ARG ARG A . n A 1 523 GLY 523 523 523 GLY GLY A . n A 1 524 LEU 524 524 524 LEU LEU A . n A 1 525 ARG 525 525 525 ARG ARG A . n A 1 526 ALA 526 526 526 ALA ALA A . n A 1 527 GLN 527 527 527 GLN GLN A . n A 1 528 ALA 528 528 528 ALA ALA A . n A 1 529 CYS 529 529 529 CYS CYS A . n A 1 530 ALA 530 530 530 ALA ALA A . n A 1 531 PHE 531 531 531 PHE PHE A . n A 1 532 TRP 532 532 532 TRP TRP A . n A 1 533 ASN 533 533 533 ASN ASN A . n A 1 534 ARG 534 534 534 ARG ARG A . n A 1 535 PHE 535 535 535 PHE PHE A . n A 1 536 LEU 536 536 536 LEU LEU A . n A 1 537 PRO 537 537 537 PRO PRO A . n A 1 538 LYS 538 538 538 LYS LYS A . n A 1 539 LEU 539 539 539 LEU LEU A . n A 1 540 LEU 540 540 540 LEU LEU A . n A 1 541 SER 541 541 541 SER SER A . n A 1 542 ALA 542 542 542 ALA ALA A . n A 1 543 THR 543 543 543 THR THR A . n A 1 544 ASP 544 544 544 ASP ASP A . n A 1 545 THR 545 545 545 THR THR A . n A 1 546 LEU 546 546 546 LEU LEU A . n A 1 547 ASP 547 547 547 ASP ASP A . n A 1 548 GLU 548 548 548 GLU GLU A . n A 1 549 ALA 549 549 549 ALA ALA A . n A 1 550 GLU 550 550 550 GLU GLU A . n A 1 551 ARG 551 551 551 ARG ARG A . n A 1 552 GLN 552 552 552 GLN GLN A . n A 1 553 TRP 553 553 553 TRP TRP A . n A 1 554 LYS 554 554 554 LYS LYS A . n A 1 555 ALA 555 555 555 ALA ALA A . n A 1 556 GLU 556 556 556 GLU GLU A . n A 1 557 PHE 557 557 557 PHE PHE A . n A 1 558 HIS 558 558 558 HIS HIS A . n A 1 559 ARG 559 559 559 ARG ARG A . n A 1 560 TRP 560 560 560 TRP TRP A . n A 1 561 SER 561 561 561 SER SER A . n A 1 562 SER 562 562 562 SER SER A . n A 1 563 TYR 563 563 563 TYR TYR A . n A 1 564 MET 564 564 564 MET MET A . n A 1 565 VAL 565 565 565 VAL VAL A . n A 1 566 HIS 566 566 566 HIS HIS A . n A 1 567 TRP 567 567 567 TRP TRP A . n A 1 568 LYS 568 568 ? ? ? A . n A 1 569 ASN 569 569 ? ? ? A . n A 1 570 GLN 570 570 ? ? ? A . n A 1 571 PHE 571 571 ? ? ? A . n A 1 572 ASP 572 572 ? ? ? A . n A 1 573 HIS 573 573 ? ? ? A . n A 1 574 TYR 574 574 ? ? ? A . n A 1 575 SER 575 575 ? ? ? A . n A 1 576 LYS 576 576 ? ? ? A . n A 1 577 GLN 577 577 ? ? ? A . n A 1 578 ASP 578 578 ? ? ? A . n A 1 579 ARG 579 579 ? ? ? A . n A 1 580 CYS 580 580 ? ? ? A . n A 1 581 SER 581 581 ? ? ? A . n A 1 582 ASP 582 582 ? ? ? A . n A 1 583 LEU 583 583 ? ? ? A . n B 2 1 THR 1 1 1 THR THR B . n B 2 2 MET 2 2 2 MET MET B . n B 2 3 CYS 3 3 3 CYS CYS B . n B 2 4 TYR 4 4 4 TYR TYR B . n B 2 5 SER 5 5 5 SER SER B . n B 2 6 HIS 6 6 6 HIS HIS B . n B 2 7 THR 7 7 7 THR THR B . n B 2 8 THR 8 8 8 THR THR B . n B 2 9 THR 9 9 9 THR THR B . n B 2 10 SER 10 10 10 SER SER B . n B 2 11 ARG 11 11 11 ARG ARG B . n B 2 12 ALA 12 12 12 ALA ALA B . n B 2 13 ILE 13 13 13 ILE ILE B . n B 2 14 LEU 14 14 14 LEU LEU B . n B 2 15 THR 15 15 15 THR THR B . n B 2 16 ASN 16 16 16 ASN ASN B . n B 2 17 CYS 17 17 17 CYS CYS B . n B 2 18 GLY 18 18 18 GLY GLY B . n B 2 19 GLU 19 19 19 GLU GLU B . n B 2 20 ASN 20 20 20 ASN ASN B . n B 2 21 SER 21 21 21 SER SER B . n B 2 22 CYS 22 22 22 CYS CYS B . n B 2 23 TYR 23 23 23 TYR TYR B . n B 2 24 ARG 24 24 24 ARG ARG B . n B 2 25 LYS 25 25 25 LYS LYS B . n B 2 26 SER 26 26 26 SER SER B . n B 2 27 ARG 27 27 27 ARG ARG B . n B 2 28 ARG 28 28 28 ARG ARG B . n B 2 29 HIS 29 29 29 HIS HIS B . n B 2 30 PRO 30 30 30 PRO PRO B . n B 2 31 PRO 31 31 31 PRO PRO B . n B 2 32 LYS 32 32 32 LYS LYS B . n B 2 33 MET 33 33 33 MET MET B . n B 2 34 VAL 34 34 34 VAL VAL B . n B 2 35 LEU 35 35 35 LEU LEU B . n B 2 36 GLY 36 36 36 GLY GLY B . n B 2 37 ARG 37 37 37 ARG ARG B . n B 2 38 GLY 38 38 38 GLY GLY B . n B 2 39 CYS 39 39 39 CYS CYS B . n B 2 40 GLY 40 40 40 GLY GLY B . n B 2 41 CYS 41 41 41 CYS CYS B . n B 2 42 PRO 42 42 42 PRO PRO B . n B 2 43 PRO 43 43 43 PRO PRO B . n B 2 44 GLY 44 44 44 GLY GLY B . n B 2 45 ASP 45 45 45 ASP ASP B . n B 2 46 ASP 46 46 46 ASP ASP B . n B 2 47 ASN 47 47 47 ASN ASN B . n B 2 48 LEU 48 48 48 LEU LEU B . n B 2 49 GLU 49 49 49 GLU GLU B . n B 2 50 VAL 50 50 50 VAL VAL B . n B 2 51 LYS 51 51 51 LYS LYS B . n B 2 52 CYS 52 52 52 CYS CYS B . n B 2 53 CYS 53 53 53 CYS CYS B . n B 2 54 THR 54 54 54 THR THR B . n B 2 55 SER 55 55 55 SER SER B . n B 2 56 PRO 56 56 56 PRO PRO B . n B 2 57 ASP 57 57 57 ASP ASP B . n B 2 58 LYS 58 58 58 LYS LYS B . n B 2 59 CYS 59 59 59 CYS CYS B . n B 2 60 ASN 60 60 60 ASN ASN B . n B 2 61 TYR 61 61 61 TYR TYR 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 NAG 1 601 601 NAG NAG A . D 3 NAG 2 602 602 NAG NAG A . E 4 FUL 3 603 603 FUL FUL A . F 5 HUW 1 701 701 HUW HUW A . G 6 CL 1 802 802 CL CL A . H 6 CL 1 803 803 CL CL A . I 6 CL 1 804 804 CL CL A . J 6 CL 1 805 805 CL CL A . K 6 CL 1 806 806 CL CL A . L 6 CL 1 807 807 CL CL A . M 6 CL 1 808 808 CL CL A . N 6 CL 1 809 809 CL CL A . O 6 CL 1 810 810 CL CL A . P 6 CL 1 811 811 CL CL A . Q 7 SO4 1 812 812 SO4 SO4 A . R 8 HOH 1 2001 2001 HOH HOH A . R 8 HOH 2 2002 2002 HOH HOH A . R 8 HOH 3 2003 2003 HOH HOH A . R 8 HOH 4 2004 2004 HOH HOH A . R 8 HOH 5 2005 2005 HOH HOH A . R 8 HOH 6 2006 2006 HOH HOH A . R 8 HOH 7 2007 2007 HOH HOH A . R 8 HOH 8 2008 2008 HOH HOH A . R 8 HOH 9 2009 2009 HOH HOH A . R 8 HOH 10 2010 2010 HOH HOH A . R 8 HOH 11 2011 2011 HOH HOH A . R 8 HOH 12 2012 2012 HOH HOH A . R 8 HOH 13 2013 2013 HOH HOH A . R 8 HOH 14 2014 2014 HOH HOH A . R 8 HOH 15 2015 2015 HOH HOH A . R 8 HOH 16 2016 2016 HOH HOH A . R 8 HOH 17 2017 2017 HOH HOH A . R 8 HOH 18 2018 2018 HOH HOH A . R 8 HOH 19 2019 2019 HOH HOH A . R 8 HOH 20 2020 2020 HOH HOH A . R 8 HOH 21 2021 2021 HOH HOH A . R 8 HOH 22 2022 2022 HOH HOH A . R 8 HOH 23 2023 2023 HOH HOH A . R 8 HOH 24 2024 2024 HOH HOH A . R 8 HOH 25 2025 2025 HOH HOH A . R 8 HOH 26 2026 2026 HOH HOH A . R 8 HOH 27 2027 2027 HOH HOH A . R 8 HOH 28 2028 2028 HOH HOH A . R 8 HOH 29 2029 2029 HOH HOH A . R 8 HOH 30 2030 2030 HOH HOH A . R 8 HOH 31 2031 2031 HOH HOH A . R 8 HOH 32 2032 2032 HOH HOH A . R 8 HOH 33 2033 2033 HOH HOH A . R 8 HOH 34 2034 2034 HOH HOH A . R 8 HOH 35 2035 2035 HOH HOH A . R 8 HOH 36 2036 2036 HOH HOH A . R 8 HOH 37 2037 2037 HOH HOH A . R 8 HOH 38 2038 2038 HOH HOH A . R 8 HOH 39 2039 2039 HOH HOH A . R 8 HOH 40 2040 2040 HOH HOH A . R 8 HOH 41 2041 2041 HOH HOH A . R 8 HOH 42 2042 2042 HOH HOH A . R 8 HOH 43 2043 2043 HOH HOH A . R 8 HOH 44 2044 2044 HOH HOH A . R 8 HOH 45 2045 2045 HOH HOH A . R 8 HOH 46 2046 2046 HOH HOH A . R 8 HOH 47 2047 2047 HOH HOH A . R 8 HOH 48 2048 2048 HOH HOH A . R 8 HOH 49 2049 2049 HOH HOH A . R 8 HOH 50 2050 2050 HOH HOH A . R 8 HOH 51 2051 2051 HOH HOH A . R 8 HOH 52 2052 2052 HOH HOH A . R 8 HOH 53 2053 2053 HOH HOH A . R 8 HOH 54 2054 2054 HOH HOH A . R 8 HOH 55 2055 2055 HOH HOH A . R 8 HOH 56 2056 2056 HOH HOH A . R 8 HOH 57 2057 2057 HOH HOH A . R 8 HOH 58 2058 2058 HOH HOH A . R 8 HOH 59 2059 2059 HOH HOH A . R 8 HOH 60 2060 2060 HOH HOH A . R 8 HOH 61 2061 2061 HOH HOH A . R 8 HOH 62 2062 2062 HOH HOH A . R 8 HOH 63 2063 2063 HOH HOH A . R 8 HOH 64 2064 2064 HOH HOH A . R 8 HOH 65 2065 2065 HOH HOH A . R 8 HOH 66 2066 2066 HOH HOH A . R 8 HOH 67 2067 2067 HOH HOH A . R 8 HOH 68 2068 2068 HOH HOH A . R 8 HOH 69 2069 2069 HOH HOH A . R 8 HOH 70 2070 2070 HOH HOH A . R 8 HOH 71 2071 2071 HOH HOH A . R 8 HOH 72 2072 2072 HOH HOH A . R 8 HOH 73 2073 2073 HOH HOH A . R 8 HOH 74 2074 2074 HOH HOH A . R 8 HOH 75 2075 2075 HOH HOH A . R 8 HOH 76 2076 2076 HOH HOH A . R 8 HOH 77 2077 2077 HOH HOH A . R 8 HOH 78 2078 2078 HOH HOH A . R 8 HOH 79 2079 2079 HOH HOH A . R 8 HOH 80 2080 2080 HOH HOH A . R 8 HOH 81 2081 2081 HOH HOH A . R 8 HOH 82 2082 2082 HOH HOH A . R 8 HOH 83 2083 2083 HOH HOH A . R 8 HOH 84 2084 2084 HOH HOH A . R 8 HOH 85 2085 2085 HOH HOH A . R 8 HOH 86 2086 2086 HOH HOH A . R 8 HOH 87 2087 2087 HOH HOH A . R 8 HOH 88 2088 2088 HOH HOH A . R 8 HOH 89 2089 2089 HOH HOH A . R 8 HOH 90 2090 2090 HOH HOH A . R 8 HOH 91 2091 2091 HOH HOH A . R 8 HOH 92 2092 2092 HOH HOH A . R 8 HOH 93 2093 2093 HOH HOH A . R 8 HOH 94 2094 2094 HOH HOH A . R 8 HOH 95 2095 2095 HOH HOH A . R 8 HOH 96 2096 2096 HOH HOH A . R 8 HOH 97 2097 2097 HOH HOH A . R 8 HOH 98 2098 2098 HOH HOH A . R 8 HOH 99 2099 2099 HOH HOH A . R 8 HOH 100 2100 2100 HOH HOH A . R 8 HOH 101 2101 2101 HOH HOH A . R 8 HOH 102 2102 2102 HOH HOH A . R 8 HOH 103 2103 2103 HOH HOH A . R 8 HOH 104 2104 2104 HOH HOH A . R 8 HOH 105 2105 2105 HOH HOH A . R 8 HOH 106 2106 2106 HOH HOH A . R 8 HOH 107 2107 2107 HOH HOH A . R 8 HOH 108 2108 2108 HOH HOH A . R 8 HOH 109 2109 2109 HOH HOH A . R 8 HOH 110 2110 2110 HOH HOH A . R 8 HOH 111 2111 2111 HOH HOH A . R 8 HOH 112 2112 2112 HOH HOH A . R 8 HOH 113 2113 2113 HOH HOH A . S 8 HOH 1 2001 2001 HOH HOH B . S 8 HOH 2 2002 2002 HOH HOH B . S 8 HOH 3 2003 2003 HOH HOH B . S 8 HOH 4 2004 2004 HOH HOH B . S 8 HOH 5 2005 2005 HOH HOH B . S 8 HOH 6 2006 2006 HOH HOH B . # _pdbx_struct_mod_residue.id 1 _pdbx_struct_mod_residue.label_asym_id A _pdbx_struct_mod_residue.label_comp_id ASN _pdbx_struct_mod_residue.label_seq_id 350 _pdbx_struct_mod_residue.auth_asym_id A _pdbx_struct_mod_residue.auth_comp_id ASN _pdbx_struct_mod_residue.auth_seq_id 350 _pdbx_struct_mod_residue.PDB_ins_code ? _pdbx_struct_mod_residue.parent_comp_id ASN _pdbx_struct_mod_residue.details 'GLYCOSYLATION SITE' # loop_ _pdbx_struct_assembly.id _pdbx_struct_assembly.details _pdbx_struct_assembly.method_details _pdbx_struct_assembly.oligomeric_details _pdbx_struct_assembly.oligomeric_count 1 author_and_software_defined_assembly PISA dimeric 2 2 software_defined_assembly PISA dodecameric 12 3 software_defined_assembly PISA dimeric 2 # loop_ _pdbx_struct_assembly_gen.assembly_id _pdbx_struct_assembly_gen.oper_expression _pdbx_struct_assembly_gen.asym_id_list 1 1,2 A,C,D,E,F,G,H,I,J,K,L,M,N,O,P,Q,R 2 1,3,2,4,5,6 A,B,C,D,E,F,G,H,I,J,K,L,M,N,O,P,Q,R,S 3 1 A,B,C,D,E,F,G,H,I,J,K,L,M,N,O,P,Q,R,S # 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)' 6750 ? 1 MORE -155.7 ? 1 'SSA (A^2)' 42860 ? 2 'ABSA (A^2)' 43490 ? 2 MORE -553.3 ? 2 'SSA (A^2)' 129720 ? 3 'ABSA (A^2)' 4080 ? 3 MORE -71.5 ? 3 'SSA (A^2)' 24780 ? # 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' 16_544 y+1/3,x-1/3,-z-1/3 -0.5000000000 0.8660254038 0.0000000000 75.8000000000 0.8660254038 0.5000000000 0.0000000000 -43.7631504046 0.0000000000 0.0000000000 -1.0000000000 -82.1333333333 3 'crystal symmetry operation' 18_444 -x-2/3,-x+y-1/3,-z-1/3 -0.5000000000 -0.8660254038 0.0000000000 -75.8000000000 -0.8660254038 0.5000000000 0.0000000000 -43.7631504046 0.0000000000 0.0000000000 -1.0000000000 -82.1333333333 4 'crystal symmetry operation' 2_445 -y-1,x-y-1,z -0.5000000000 -0.8660254038 0.0000000000 -75.8000000000 0.8660254038 -0.5000000000 0.0000000000 -131.2894512137 0.0000000000 0.0000000000 1.0000000000 0.0000000000 5 'crystal symmetry operation' 3_545 -x+y,-x-1,z -0.5000000000 0.8660254038 0.0000000000 75.8000000000 -0.8660254038 -0.5000000000 0.0000000000 -131.2894512137 0.0000000000 0.0000000000 1.0000000000 0.0000000000 6 'crystal symmetry operation' 17_434 x-y-2/3,-y-4/3,-z-1/3 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -1.0000000000 0.0000000000 -175.0526016183 0.0000000000 0.0000000000 -1.0000000000 -82.1333333333 # _pdbx_struct_special_symmetry.id 1 _pdbx_struct_special_symmetry.PDB_model_num 1 _pdbx_struct_special_symmetry.auth_asym_id A _pdbx_struct_special_symmetry.auth_comp_id HOH _pdbx_struct_special_symmetry.auth_seq_id 2086 _pdbx_struct_special_symmetry.PDB_ins_code ? _pdbx_struct_special_symmetry.label_asym_id R _pdbx_struct_special_symmetry.label_comp_id HOH _pdbx_struct_special_symmetry.label_seq_id . # 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 2013-05-29 2 'Structure model' 1 1 2013-07-31 3 'Structure model' 1 2 2018-02-28 # _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' Advisory 3 3 'Structure model' 'Database references' 4 3 'Structure model' 'Source and taxonomy' # loop_ _pdbx_audit_revision_category.ordinal _pdbx_audit_revision_category.revision_ordinal _pdbx_audit_revision_category.data_content_type _pdbx_audit_revision_category.category 1 3 'Structure model' citation 2 3 'Structure model' citation_author 3 3 'Structure model' entity_src_gen 4 3 'Structure model' pdbx_unobs_or_zero_occ_atoms # loop_ _pdbx_audit_revision_item.ordinal _pdbx_audit_revision_item.revision_ordinal _pdbx_audit_revision_item.data_content_type _pdbx_audit_revision_item.item 1 3 'Structure model' '_citation.journal_abbrev' 2 3 'Structure model' '_citation.journal_id_ISSN' 3 3 'Structure model' '_citation.page_last' 4 3 'Structure model' '_citation.title' 5 3 'Structure model' '_citation_author.name' 6 3 'Structure model' '_entity_src_gen.pdbx_host_org_cell_line' 7 3 'Structure model' '_entity_src_gen.pdbx_host_org_strain' # loop_ _pdbx_refine_tls.pdbx_refine_id _pdbx_refine_tls.id _pdbx_refine_tls.details _pdbx_refine_tls.method _pdbx_refine_tls.origin_x _pdbx_refine_tls.origin_y _pdbx_refine_tls.origin_z _pdbx_refine_tls.T[1][1] _pdbx_refine_tls.T[2][2] _pdbx_refine_tls.T[3][3] _pdbx_refine_tls.T[1][2] _pdbx_refine_tls.T[1][3] _pdbx_refine_tls.T[2][3] _pdbx_refine_tls.L[1][1] _pdbx_refine_tls.L[2][2] _pdbx_refine_tls.L[3][3] _pdbx_refine_tls.L[1][2] _pdbx_refine_tls.L[1][3] _pdbx_refine_tls.L[2][3] _pdbx_refine_tls.S[1][1] _pdbx_refine_tls.S[1][2] _pdbx_refine_tls.S[1][3] _pdbx_refine_tls.S[2][1] _pdbx_refine_tls.S[2][2] _pdbx_refine_tls.S[2][3] _pdbx_refine_tls.S[3][1] _pdbx_refine_tls.S[3][2] _pdbx_refine_tls.S[3][3] 'X-RAY DIFFRACTION' 1 ? refined 0.4631 -40.5065 -58.4343 0.2887 0.0894 0.2081 0.0340 0.0166 0.0542 1.4688 1.0520 1.6733 -0.1864 0.0954 0.0814 0.0257 -0.0342 0.0748 0.0915 -0.0296 -0.0205 -0.1714 -0.0290 0.0316 'X-RAY DIFFRACTION' 2 ? refined -19.4319 -36.7207 -38.2366 0.7041 0.3712 0.4119 0.1027 0.0665 0.0080 1.1186 0.0157 0.5367 0.0830 0.7536 0.0423 0.0930 -0.6102 0.2410 0.4340 -0.0970 0.3343 -0.9828 -0.3926 0.0022 # loop_ _pdbx_refine_tls_group.pdbx_refine_id _pdbx_refine_tls_group.id _pdbx_refine_tls_group.refine_tls_id _pdbx_refine_tls_group.beg_auth_asym_id _pdbx_refine_tls_group.beg_auth_seq_id _pdbx_refine_tls_group.beg_label_asym_id _pdbx_refine_tls_group.beg_label_seq_id _pdbx_refine_tls_group.end_auth_asym_id _pdbx_refine_tls_group.end_auth_seq_id _pdbx_refine_tls_group.end_label_asym_id _pdbx_refine_tls_group.end_label_seq_id _pdbx_refine_tls_group.selection _pdbx_refine_tls_group.selection_details 'X-RAY DIFFRACTION' 1 1 ? ? ? ? ? ? ? ? ? 'CHAIN A' 'X-RAY DIFFRACTION' 2 2 ? ? ? ? ? ? ? ? ? 'CHAIN B' # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal PHENIX refinement '(PHENIX.REFINE)' ? 1 XDS 'data reduction' . ? 2 XSCALE 'data scaling' . ? 3 MOLREP phasing . ? 4 # loop_ _pdbx_validate_close_contact.id _pdbx_validate_close_contact.PDB_model_num _pdbx_validate_close_contact.auth_atom_id_1 _pdbx_validate_close_contact.auth_asym_id_1 _pdbx_validate_close_contact.auth_comp_id_1 _pdbx_validate_close_contact.auth_seq_id_1 _pdbx_validate_close_contact.PDB_ins_code_1 _pdbx_validate_close_contact.label_alt_id_1 _pdbx_validate_close_contact.auth_atom_id_2 _pdbx_validate_close_contact.auth_asym_id_2 _pdbx_validate_close_contact.auth_comp_id_2 _pdbx_validate_close_contact.auth_seq_id_2 _pdbx_validate_close_contact.PDB_ins_code_2 _pdbx_validate_close_contact.label_alt_id_2 _pdbx_validate_close_contact.dist 1 1 O A GLU 491 ? ? O A HOH 2106 ? ? 2.17 2 1 O A SER 512 ? ? O A HOH 2103 ? ? 2.19 # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 ALA A 6 ? ? 61.89 -64.42 2 1 GLU A 7 ? ? -156.23 67.23 3 1 PHE A 47 ? ? 73.79 -11.74 4 1 PRO A 88 ? ? -38.91 119.32 5 1 ALA A 167 ? ? -154.55 85.77 6 1 PRO A 194 ? ? -66.46 7.86 7 1 SER A 203 ? ? 64.05 -129.23 8 1 PRO A 259 ? ? -84.95 -146.71 9 1 THR A 262 ? ? -166.98 78.50 10 1 PRO A 290 ? ? -58.35 -70.65 11 1 ASP A 306 ? ? -79.76 -91.72 12 1 SER A 352 ? ? 37.38 52.17 13 1 VAL A 407 ? ? -128.04 -67.06 14 1 GLU A 431 ? ? -117.70 55.30 15 1 HIS A 447 ? ? -27.67 107.48 16 1 ASN A 464 ? ? -91.24 54.82 17 1 GLU A 491 ? ? 62.59 170.07 18 1 ARG A 493 ? ? -113.31 -156.20 19 1 PRO A 495 ? ? -71.94 -144.47 20 1 ASN B 20 ? ? -72.29 -153.37 21 1 ASP B 45 ? ? -163.37 -156.30 22 1 THR B 54 ? ? -128.61 -83.13 23 1 ASP B 57 ? ? 72.56 118.33 # 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 GLU 1 ? A GLU 1 2 1 Y 1 A GLY 2 ? A GLY 2 3 1 Y 1 A ARG 3 ? A ARG 3 4 1 Y 1 A GLU 4 ? A GLU 4 5 1 Y 1 A LYS 568 ? A LYS 568 6 1 Y 1 A ASN 569 ? A ASN 569 7 1 Y 1 A GLN 570 ? A GLN 570 8 1 Y 1 A PHE 571 ? A PHE 571 9 1 Y 1 A ASP 572 ? A ASP 572 10 1 Y 1 A HIS 573 ? A HIS 573 11 1 Y 1 A TYR 574 ? A TYR 574 12 1 Y 1 A SER 575 ? A SER 575 13 1 Y 1 A LYS 576 ? A LYS 576 14 1 Y 1 A GLN 577 ? A GLN 577 15 1 Y 1 A ASP 578 ? A ASP 578 16 1 Y 1 A ARG 579 ? A ARG 579 17 1 Y 1 A CYS 580 ? A CYS 580 18 1 Y 1 A SER 581 ? A SER 581 19 1 Y 1 A ASP 582 ? A ASP 582 20 1 Y 1 A LEU 583 ? A LEU 583 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 3 N-ACETYL-D-GLUCOSAMINE NAG 4 BETA-L-FUCOSE FUL 5 'HUPRINE W' HUW 6 'CHLORIDE ION' CL 7 'SULFATE ION' SO4 8 water HOH #