data_3BXI # _entry.id 3BXI # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.279 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 3BXI RCSB RCSB046079 WWPDB D_1000046079 # loop_ _pdbx_database_related.db_name _pdbx_database_related.db_id _pdbx_database_related.details _pdbx_database_related.content_type PDB 1CXP 'Cryogenic crystal structure of human myeloperoxidase isoform C' unspecified PDB 2OJV 'Crystal structure of a ternary complex of goat lactoperoxidase with cyanide and iodide ions at 2.4 A resolution' unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 3BXI _pdbx_database_status.recvd_initial_deposition_date 2008-01-14 _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site PDBJ _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.SG_entry ? _pdbx_database_status.pdb_format_compatible Y _pdbx_database_status.status_code_cs ? # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Singh, A.K.' 1 'Singh, N.' 2 'Sharma, S.' 3 'Shin, K.' 4 'Takase, M.' 5 'Kaur, P.' 6 'Srinivasan, A.' 7 'Singh, T.P.' 8 # _citation.id primary _citation.title ;Inhibition of lactoperoxidase by its own catalytic product: crystal structure of the hypothiocyanate-inhibited bovine lactoperoxidase at 2.3-A resolution. ; _citation.journal_abbrev Biophys.J. _citation.journal_volume 96 _citation.page_first 646 _citation.page_last 654 _citation.year 2009 _citation.journal_id_ASTM BIOJAU _citation.country US _citation.journal_id_ISSN 0006-3495 _citation.journal_id_CSD 0030 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 19167310 _citation.pdbx_database_id_DOI 10.1016/j.bpj.2008.09.019 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Singh, A.K.' 1 primary 'Singh, N.' 2 primary 'Sharma, S.' 3 primary 'Shin, K.' 4 primary 'Takase, M.' 5 primary 'Kaur, P.' 6 primary 'Srinivasan, A.' 7 primary 'Singh, T.P.' 8 # _cell.entry_id 3BXI _cell.length_a 54.630 _cell.length_b 80.667 _cell.length_c 77.680 _cell.angle_alpha 90.00 _cell.angle_beta 102.60 _cell.angle_gamma 90.00 _cell.Z_PDB 2 _cell.pdbx_unique_axis ? _cell.length_a_esd ? _cell.length_b_esd ? _cell.length_c_esd ? _cell.angle_alpha_esd ? _cell.angle_beta_esd ? _cell.angle_gamma_esd ? # _symmetry.entry_id 3BXI _symmetry.space_group_name_H-M 'P 1 21 1' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 4 _symmetry.space_group_name_Hall ? # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details 1 polymer nat Lactoperoxidase 67853.281 1 1.11.1.7 ? 'UNP residues 118-712' ? 2 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 8 ? ? ? ? 3 non-polymer man ALPHA-D-MANNOSE 180.156 2 ? ? ? ? 4 non-polymer syn 'CALCIUM ION' 40.078 1 ? ? ? ? 5 non-polymer syn 'THIOCYANATE ION' 58.082 1 ? ? ? ? 6 non-polymer syn 'NITRATE ION' 62.005 5 ? ? ? ? 7 non-polymer syn 'PROTOPORPHYRIN IX CONTAINING FE' 616.487 1 ? ? ? ? 8 non-polymer syn '1-(OXIDOSULFANYL)METHANAMINE' 79.122 1 ? ? ? ? 9 water nat water 18.015 413 ? ? ? ? # _entity_name_com.entity_id 1 _entity_name_com.name LPO # _entity_poly.entity_id 1 _entity_poly.type 'polypeptide(L)' _entity_poly.nstd_linkage no _entity_poly.nstd_monomer yes _entity_poly.pdbx_seq_one_letter_code ;SWEVGCGAPVPLVKCDENSPYRTITGDCNNRRSPALGAANRALARWLPAEYEDGLALPFGWTQRKTRNGFRVPLAREVSN KIVGYLDEEGVLDQNRSLLFMQWGQIVDHDLDFAPETELGSNEHSKTQCEEYCIQGDNCFPIMFPKNDPKLKTQGKCMPF FRAGFVCPTPPYQSLAREQINAVTSFLDASLVYGSEP(SEP)LASRLRNLSSPLGLMAVNQEAWDHGLAYLPFNNKKPSP CEFINTTARVPCFLAGDFRASEQILLATAHTLLLREHNRLARELKKLNPHWNGEKLYQEARKILGAFIQIITFRDYLPIV LGSEMQKWIPPYQGYNNSVDPRISNVFTFAFRFGHMEVPSTVSRLDENYQPWGPEAELPLHTLFFNTWRIIKDGGIDPLV RGLLAKKSKLMNQDKMVTSELRNKLFQPTHKIHGFDLAAINLQRCRDHGMPGYNSWRGFCGLSQPKTLKGLQTVLKNKIL AKKLMDLYKTPDNIDIWIGGNAEPMVERGRVGPLLACLLGRQFQQIRDGDRFWWENPGVFTEKQRDSLQKVSFSRLICDN THITKVPLHAFQANNYPHDFVDCSTVDKLDLSPWASREN ; _entity_poly.pdbx_seq_one_letter_code_can ;SWEVGCGAPVPLVKCDENSPYRTITGDCNNRRSPALGAANRALARWLPAEYEDGLALPFGWTQRKTRNGFRVPLAREVSN KIVGYLDEEGVLDQNRSLLFMQWGQIVDHDLDFAPETELGSNEHSKTQCEEYCIQGDNCFPIMFPKNDPKLKTQGKCMPF FRAGFVCPTPPYQSLAREQINAVTSFLDASLVYGSEPSLASRLRNLSSPLGLMAVNQEAWDHGLAYLPFNNKKPSPCEFI NTTARVPCFLAGDFRASEQILLATAHTLLLREHNRLARELKKLNPHWNGEKLYQEARKILGAFIQIITFRDYLPIVLGSE MQKWIPPYQGYNNSVDPRISNVFTFAFRFGHMEVPSTVSRLDENYQPWGPEAELPLHTLFFNTWRIIKDGGIDPLVRGLL AKKSKLMNQDKMVTSELRNKLFQPTHKIHGFDLAAINLQRCRDHGMPGYNSWRGFCGLSQPKTLKGLQTVLKNKILAKKL MDLYKTPDNIDIWIGGNAEPMVERGRVGPLLACLLGRQFQQIRDGDRFWWENPGVFTEKQRDSLQKVSFSRLICDNTHIT KVPLHAFQANNYPHDFVDCSTVDKLDLSPWASREN ; _entity_poly.pdbx_strand_id A _entity_poly.pdbx_target_identifier ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 SER n 1 2 TRP n 1 3 GLU n 1 4 VAL n 1 5 GLY n 1 6 CYS n 1 7 GLY n 1 8 ALA n 1 9 PRO n 1 10 VAL n 1 11 PRO n 1 12 LEU n 1 13 VAL n 1 14 LYS n 1 15 CYS n 1 16 ASP n 1 17 GLU n 1 18 ASN n 1 19 SER n 1 20 PRO n 1 21 TYR n 1 22 ARG n 1 23 THR n 1 24 ILE n 1 25 THR n 1 26 GLY n 1 27 ASP n 1 28 CYS n 1 29 ASN n 1 30 ASN n 1 31 ARG n 1 32 ARG n 1 33 SER n 1 34 PRO n 1 35 ALA n 1 36 LEU n 1 37 GLY n 1 38 ALA n 1 39 ALA n 1 40 ASN n 1 41 ARG n 1 42 ALA n 1 43 LEU n 1 44 ALA n 1 45 ARG n 1 46 TRP n 1 47 LEU n 1 48 PRO n 1 49 ALA n 1 50 GLU n 1 51 TYR n 1 52 GLU n 1 53 ASP n 1 54 GLY n 1 55 LEU n 1 56 ALA n 1 57 LEU n 1 58 PRO n 1 59 PHE n 1 60 GLY n 1 61 TRP n 1 62 THR n 1 63 GLN n 1 64 ARG n 1 65 LYS n 1 66 THR n 1 67 ARG n 1 68 ASN n 1 69 GLY n 1 70 PHE n 1 71 ARG n 1 72 VAL n 1 73 PRO n 1 74 LEU n 1 75 ALA n 1 76 ARG n 1 77 GLU n 1 78 VAL n 1 79 SER n 1 80 ASN n 1 81 LYS n 1 82 ILE n 1 83 VAL n 1 84 GLY n 1 85 TYR n 1 86 LEU n 1 87 ASP n 1 88 GLU n 1 89 GLU n 1 90 GLY n 1 91 VAL n 1 92 LEU n 1 93 ASP n 1 94 GLN n 1 95 ASN n 1 96 ARG n 1 97 SER n 1 98 LEU n 1 99 LEU n 1 100 PHE n 1 101 MET n 1 102 GLN n 1 103 TRP n 1 104 GLY n 1 105 GLN n 1 106 ILE n 1 107 VAL n 1 108 ASP n 1 109 HIS n 1 110 ASP n 1 111 LEU n 1 112 ASP n 1 113 PHE n 1 114 ALA n 1 115 PRO n 1 116 GLU n 1 117 THR n 1 118 GLU n 1 119 LEU n 1 120 GLY n 1 121 SER n 1 122 ASN n 1 123 GLU n 1 124 HIS n 1 125 SER n 1 126 LYS n 1 127 THR n 1 128 GLN n 1 129 CYS n 1 130 GLU n 1 131 GLU n 1 132 TYR n 1 133 CYS n 1 134 ILE n 1 135 GLN n 1 136 GLY n 1 137 ASP n 1 138 ASN n 1 139 CYS n 1 140 PHE n 1 141 PRO n 1 142 ILE n 1 143 MET n 1 144 PHE n 1 145 PRO n 1 146 LYS n 1 147 ASN n 1 148 ASP n 1 149 PRO n 1 150 LYS n 1 151 LEU n 1 152 LYS n 1 153 THR n 1 154 GLN n 1 155 GLY n 1 156 LYS n 1 157 CYS n 1 158 MET n 1 159 PRO n 1 160 PHE n 1 161 PHE n 1 162 ARG n 1 163 ALA n 1 164 GLY n 1 165 PHE n 1 166 VAL n 1 167 CYS n 1 168 PRO n 1 169 THR n 1 170 PRO n 1 171 PRO n 1 172 TYR n 1 173 GLN n 1 174 SER n 1 175 LEU n 1 176 ALA n 1 177 ARG n 1 178 GLU n 1 179 GLN n 1 180 ILE n 1 181 ASN n 1 182 ALA n 1 183 VAL n 1 184 THR n 1 185 SER n 1 186 PHE n 1 187 LEU n 1 188 ASP n 1 189 ALA n 1 190 SER n 1 191 LEU n 1 192 VAL n 1 193 TYR n 1 194 GLY n 1 195 SER n 1 196 GLU n 1 197 PRO n 1 198 SEP n 1 199 LEU n 1 200 ALA n 1 201 SER n 1 202 ARG n 1 203 LEU n 1 204 ARG n 1 205 ASN n 1 206 LEU n 1 207 SER n 1 208 SER n 1 209 PRO n 1 210 LEU n 1 211 GLY n 1 212 LEU n 1 213 MET n 1 214 ALA n 1 215 VAL n 1 216 ASN n 1 217 GLN n 1 218 GLU n 1 219 ALA n 1 220 TRP n 1 221 ASP n 1 222 HIS n 1 223 GLY n 1 224 LEU n 1 225 ALA n 1 226 TYR n 1 227 LEU n 1 228 PRO n 1 229 PHE n 1 230 ASN n 1 231 ASN n 1 232 LYS n 1 233 LYS n 1 234 PRO n 1 235 SER n 1 236 PRO n 1 237 CYS n 1 238 GLU n 1 239 PHE n 1 240 ILE n 1 241 ASN n 1 242 THR n 1 243 THR n 1 244 ALA n 1 245 ARG n 1 246 VAL n 1 247 PRO n 1 248 CYS n 1 249 PHE n 1 250 LEU n 1 251 ALA n 1 252 GLY n 1 253 ASP n 1 254 PHE n 1 255 ARG n 1 256 ALA n 1 257 SER n 1 258 GLU n 1 259 GLN n 1 260 ILE n 1 261 LEU n 1 262 LEU n 1 263 ALA n 1 264 THR n 1 265 ALA n 1 266 HIS n 1 267 THR n 1 268 LEU n 1 269 LEU n 1 270 LEU n 1 271 ARG n 1 272 GLU n 1 273 HIS n 1 274 ASN n 1 275 ARG n 1 276 LEU n 1 277 ALA n 1 278 ARG n 1 279 GLU n 1 280 LEU n 1 281 LYS n 1 282 LYS n 1 283 LEU n 1 284 ASN n 1 285 PRO n 1 286 HIS n 1 287 TRP n 1 288 ASN n 1 289 GLY n 1 290 GLU n 1 291 LYS n 1 292 LEU n 1 293 TYR n 1 294 GLN n 1 295 GLU n 1 296 ALA n 1 297 ARG n 1 298 LYS n 1 299 ILE n 1 300 LEU n 1 301 GLY n 1 302 ALA n 1 303 PHE n 1 304 ILE n 1 305 GLN n 1 306 ILE n 1 307 ILE n 1 308 THR n 1 309 PHE n 1 310 ARG n 1 311 ASP n 1 312 TYR n 1 313 LEU n 1 314 PRO n 1 315 ILE n 1 316 VAL n 1 317 LEU n 1 318 GLY n 1 319 SER n 1 320 GLU n 1 321 MET n 1 322 GLN n 1 323 LYS n 1 324 TRP n 1 325 ILE n 1 326 PRO n 1 327 PRO n 1 328 TYR n 1 329 GLN n 1 330 GLY n 1 331 TYR n 1 332 ASN n 1 333 ASN n 1 334 SER n 1 335 VAL n 1 336 ASP n 1 337 PRO n 1 338 ARG n 1 339 ILE n 1 340 SER n 1 341 ASN n 1 342 VAL n 1 343 PHE n 1 344 THR n 1 345 PHE n 1 346 ALA n 1 347 PHE n 1 348 ARG n 1 349 PHE n 1 350 GLY n 1 351 HIS n 1 352 MET n 1 353 GLU n 1 354 VAL n 1 355 PRO n 1 356 SER n 1 357 THR n 1 358 VAL n 1 359 SER n 1 360 ARG n 1 361 LEU n 1 362 ASP n 1 363 GLU n 1 364 ASN n 1 365 TYR n 1 366 GLN n 1 367 PRO n 1 368 TRP n 1 369 GLY n 1 370 PRO n 1 371 GLU n 1 372 ALA n 1 373 GLU n 1 374 LEU n 1 375 PRO n 1 376 LEU n 1 377 HIS n 1 378 THR n 1 379 LEU n 1 380 PHE n 1 381 PHE n 1 382 ASN n 1 383 THR n 1 384 TRP n 1 385 ARG n 1 386 ILE n 1 387 ILE n 1 388 LYS n 1 389 ASP n 1 390 GLY n 1 391 GLY n 1 392 ILE n 1 393 ASP n 1 394 PRO n 1 395 LEU n 1 396 VAL n 1 397 ARG n 1 398 GLY n 1 399 LEU n 1 400 LEU n 1 401 ALA n 1 402 LYS n 1 403 LYS n 1 404 SER n 1 405 LYS n 1 406 LEU n 1 407 MET n 1 408 ASN n 1 409 GLN n 1 410 ASP n 1 411 LYS n 1 412 MET n 1 413 VAL n 1 414 THR n 1 415 SER n 1 416 GLU n 1 417 LEU n 1 418 ARG n 1 419 ASN n 1 420 LYS n 1 421 LEU n 1 422 PHE n 1 423 GLN n 1 424 PRO n 1 425 THR n 1 426 HIS n 1 427 LYS n 1 428 ILE n 1 429 HIS n 1 430 GLY n 1 431 PHE n 1 432 ASP n 1 433 LEU n 1 434 ALA n 1 435 ALA n 1 436 ILE n 1 437 ASN n 1 438 LEU n 1 439 GLN n 1 440 ARG n 1 441 CYS n 1 442 ARG n 1 443 ASP n 1 444 HIS n 1 445 GLY n 1 446 MET n 1 447 PRO n 1 448 GLY n 1 449 TYR n 1 450 ASN n 1 451 SER n 1 452 TRP n 1 453 ARG n 1 454 GLY n 1 455 PHE n 1 456 CYS n 1 457 GLY n 1 458 LEU n 1 459 SER n 1 460 GLN n 1 461 PRO n 1 462 LYS n 1 463 THR n 1 464 LEU n 1 465 LYS n 1 466 GLY n 1 467 LEU n 1 468 GLN n 1 469 THR n 1 470 VAL n 1 471 LEU n 1 472 LYS n 1 473 ASN n 1 474 LYS n 1 475 ILE n 1 476 LEU n 1 477 ALA n 1 478 LYS n 1 479 LYS n 1 480 LEU n 1 481 MET n 1 482 ASP n 1 483 LEU n 1 484 TYR n 1 485 LYS n 1 486 THR n 1 487 PRO n 1 488 ASP n 1 489 ASN n 1 490 ILE n 1 491 ASP n 1 492 ILE n 1 493 TRP n 1 494 ILE n 1 495 GLY n 1 496 GLY n 1 497 ASN n 1 498 ALA n 1 499 GLU n 1 500 PRO n 1 501 MET n 1 502 VAL n 1 503 GLU n 1 504 ARG n 1 505 GLY n 1 506 ARG n 1 507 VAL n 1 508 GLY n 1 509 PRO n 1 510 LEU n 1 511 LEU n 1 512 ALA n 1 513 CYS n 1 514 LEU n 1 515 LEU n 1 516 GLY n 1 517 ARG n 1 518 GLN n 1 519 PHE n 1 520 GLN n 1 521 GLN n 1 522 ILE n 1 523 ARG n 1 524 ASP n 1 525 GLY n 1 526 ASP n 1 527 ARG n 1 528 PHE n 1 529 TRP n 1 530 TRP n 1 531 GLU n 1 532 ASN n 1 533 PRO n 1 534 GLY n 1 535 VAL n 1 536 PHE n 1 537 THR n 1 538 GLU n 1 539 LYS n 1 540 GLN n 1 541 ARG n 1 542 ASP n 1 543 SER n 1 544 LEU n 1 545 GLN n 1 546 LYS n 1 547 VAL n 1 548 SER n 1 549 PHE n 1 550 SER n 1 551 ARG n 1 552 LEU n 1 553 ILE n 1 554 CYS n 1 555 ASP n 1 556 ASN n 1 557 THR n 1 558 HIS n 1 559 ILE n 1 560 THR n 1 561 LYS n 1 562 VAL n 1 563 PRO n 1 564 LEU n 1 565 HIS n 1 566 ALA n 1 567 PHE n 1 568 GLN n 1 569 ALA n 1 570 ASN n 1 571 ASN n 1 572 TYR n 1 573 PRO n 1 574 HIS n 1 575 ASP n 1 576 PHE n 1 577 VAL n 1 578 ASP n 1 579 CYS n 1 580 SER n 1 581 THR n 1 582 VAL n 1 583 ASP n 1 584 LYS n 1 585 LEU n 1 586 ASP n 1 587 LEU n 1 588 SER n 1 589 PRO n 1 590 TRP n 1 591 ALA n 1 592 SER n 1 593 ARG n 1 594 GLU n 1 595 ASN n # _entity_src_nat.entity_id 1 _entity_src_nat.pdbx_src_id 1 _entity_src_nat.pdbx_alt_source_flag sample _entity_src_nat.pdbx_beg_seq_num ? _entity_src_nat.pdbx_end_seq_num ? _entity_src_nat.common_name Bovine _entity_src_nat.pdbx_organism_scientific 'Bos taurus' _entity_src_nat.pdbx_ncbi_taxonomy_id 9913 _entity_src_nat.genus ? _entity_src_nat.species ? _entity_src_nat.strain ? _entity_src_nat.tissue ? _entity_src_nat.tissue_fraction ? _entity_src_nat.pdbx_secretion ? _entity_src_nat.pdbx_fragment ? _entity_src_nat.pdbx_variant ? _entity_src_nat.pdbx_cell_line ? _entity_src_nat.pdbx_atcc ? _entity_src_nat.pdbx_cellular_location ? _entity_src_nat.pdbx_organ ? _entity_src_nat.pdbx_organelle ? _entity_src_nat.pdbx_cell ? _entity_src_nat.pdbx_plasmid_name ? _entity_src_nat.pdbx_plasmid_details ? _entity_src_nat.details ? # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code PERL_BOVIN _struct_ref.pdbx_db_accession P80025 _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ;SWEVGCGAPVPLVKCDENSPYRTITGDCNNRRSPALGAANRALARWLPAEYEDGLALPFGWTQRKTRNGFRVPLAREVSN KIVGYLDEEGVLDQNRSLLFMQWGQIVDHDLDFAPETELGSNEHSKTQCEEYCIQGDNCFPIMFPKNDPKLKTQGKCMPF FRAGFVCPTPPYQSLAREQINAVTSFLDASLVYGSEPSLASRLRNLSSPLGLMAVNQEAWDHGLAYLPFNNKKPSPCEFI NTTARVPCFLAGDFRASEQILLATAHTLLLREHNRLARELKKLNPHWNGEKLYQEARKILGAFIQIITFRDYLPIVLGSE MQKWIPPYQGYNNSVDPRISNVFTFAFRFGHMEVPSTVSRLDENYQPWGPEAELPLHTLFFNTWRIIKDGGIDPLVRGLL AKKSKLMNQDKMVTSELRNKLFQPTHKIHGFDLAAINLQRCRDHGMPGYNSWRGFCGLSQPKTLKGLQTVLKNKILAKKL MDLYKTPDNIDIWIGGNAEPMVERGRVGPLLACLLGRQFQQIRDGDRFWWENPGVFTEKQRDSLQKVSFSRLICDNTHIT KVPLHAFQANNYPHDFVDCSTVDKLDLSPWASREN ; _struct_ref.pdbx_align_begin 118 _struct_ref.pdbx_db_isoform ? # _struct_ref_seq.align_id 1 _struct_ref_seq.ref_id 1 _struct_ref_seq.pdbx_PDB_id_code 3BXI _struct_ref_seq.pdbx_strand_id A _struct_ref_seq.seq_align_beg 1 _struct_ref_seq.pdbx_seq_align_beg_ins_code ? _struct_ref_seq.seq_align_end 595 _struct_ref_seq.pdbx_seq_align_end_ins_code ? _struct_ref_seq.pdbx_db_accession P80025 _struct_ref_seq.db_align_beg 118 _struct_ref_seq.pdbx_db_align_beg_ins_code ? _struct_ref_seq.db_align_end 712 _struct_ref_seq.pdbx_db_align_end_ins_code ? _struct_ref_seq.pdbx_auth_seq_align_beg 1 _struct_ref_seq.pdbx_auth_seq_align_end 595 # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 CA non-polymer . 'CALCIUM ION' ? 'Ca 2' 40.078 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HEM non-polymer . 'PROTOPORPHYRIN IX CONTAINING FE' HEME 'C34 H32 Fe N4 O4' 616.487 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MAN D-saccharide . ALPHA-D-MANNOSE ? 'C6 H12 O6' 180.156 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 NO3 non-polymer . 'NITRATE ION' ? 'N O3 -1' 62.005 OSM non-polymer . '1-(OXIDOSULFANYL)METHANAMINE' ? 'C H5 N O S' 79.122 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SCN non-polymer . 'THIOCYANATE ION' ? 'C N S -1' 58.082 SEP 'L-peptide linking' n PHOSPHOSERINE PHOSPHONOSERINE 'C3 H8 N O6 P' 185.072 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 # _exptl.entry_id 3BXI _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 2.46 _exptl_crystal.density_percent_sol 50.04 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.preparation ? # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP' _exptl_crystal_grow.temp 298 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH 6.2 _exptl_crystal_grow.pdbx_details 'NaNO3, PEG3350, pH6.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K' _exptl_crystal_grow.pdbx_pH_range . # _diffrn.id 1 _diffrn.ambient_temp 292 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector 'IMAGE PLATE' _diffrn_detector.type 'MAR scanner 345 mm plate' _diffrn_detector.pdbx_collection_date 2007-02-22 _diffrn_detector.details Mirror # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.monochromator Graphite _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 1.54132 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source 'ROTATING ANODE' _diffrn_source.type 'RIGAKU RU300' _diffrn_source.pdbx_synchrotron_site ? _diffrn_source.pdbx_synchrotron_beamline ? _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_wavelength_list 1.54132 # _reflns.entry_id 3BXI _reflns.observed_criterion_sigma_F 0 _reflns.observed_criterion_sigma_I 0 _reflns.d_resolution_high 2.3 _reflns.d_resolution_low 75.81 _reflns.number_all 29356 _reflns.number_obs 27641 _reflns.percent_possible_obs 99.3 _reflns.pdbx_Rmerge_I_obs ? _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_sigmaI ? _reflns.B_iso_Wilson_estimate ? _reflns.pdbx_redundancy ? _reflns.R_free_details ? _reflns.limit_h_max ? _reflns.limit_h_min ? _reflns.limit_k_max ? _reflns.limit_k_min ? _reflns.limit_l_max ? _reflns.limit_l_min ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_ordinal 1 _reflns.pdbx_diffrn_id 1 # _reflns_shell.d_res_high 2.3 _reflns_shell.d_res_low 2.34 _reflns_shell.percent_possible_all 99.4 _reflns_shell.Rmerge_I_obs ? _reflns_shell.pdbx_Rsym_value ? _reflns_shell.meanI_over_sigI_obs ? _reflns_shell.pdbx_redundancy ? _reflns_shell.percent_possible_obs ? _reflns_shell.number_unique_all ? _reflns_shell.number_measured_all ? _reflns_shell.number_measured_obs ? _reflns_shell.number_unique_obs ? _reflns_shell.pdbx_chi_squared ? _reflns_shell.pdbx_ordinal 1 _reflns_shell.pdbx_diffrn_id 1 # _refine.entry_id 3BXI _refine.ls_number_reflns_obs 27641 _refine.ls_number_reflns_all 29356 _refine.pdbx_ls_sigma_I 0 _refine.pdbx_ls_sigma_F 0 _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 24.46 _refine.ls_d_res_high 2.30 _refine.ls_percent_reflns_obs 99.20 _refine.ls_R_factor_obs 0.17096 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.16835 _refine.ls_R_factor_R_free 0.21803 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 5.1 _refine.ls_number_reflns_R_free 1477 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc 0.953 _refine.correlation_coeff_Fo_to_Fc_free 0.917 _refine.B_iso_mean 29.265 _refine.aniso_B[1][1] 0.26 _refine.aniso_B[2][2] -0.63 _refine.aniso_B[3][3] 0.01 _refine.aniso_B[1][2] 0.00 _refine.aniso_B[1][3] -0.81 _refine.aniso_B[2][3] 0.00 _refine.solvent_model_details 'BABINET MODEL WITH MASK' _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_solvent_vdw_probe_radii 1.40 _refine.pdbx_solvent_ion_probe_radii 0.80 _refine.pdbx_solvent_shrinkage_radii 0.80 _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.details ? _refine.pdbx_starting_model 'PDB ENTRY 1CXP' _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD' _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_overall_ESU_R 0.372 _refine.pdbx_overall_ESU_R_Free 0.226 _refine.overall_SU_ML 0.172 _refine.overall_SU_B 7.012 _refine.ls_redundancy_reflns_obs ? _refine.B_iso_min ? _refine.B_iso_max ? _refine.overall_SU_R_Cruickshank_DPI ? _refine.overall_SU_R_free ? _refine.ls_wR_factor_R_free ? _refine.ls_wR_factor_R_work ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set ? _refine.pdbx_overall_phase_error ? _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 4774 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 205 _refine_hist.number_atoms_solvent 413 _refine_hist.number_atoms_total 5392 _refine_hist.d_res_high 2.30 _refine_hist.d_res_low 24.46 # 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 r_bond_refined_d 0.009 0.021 ? 5123 'X-RAY DIFFRACTION' ? r_bond_other_d ? ? ? ? 'X-RAY DIFFRACTION' ? r_angle_refined_deg 1.730 2.010 ? 6974 'X-RAY DIFFRACTION' ? r_angle_other_deg ? ? ? ? 'X-RAY DIFFRACTION' ? r_dihedral_angle_1_deg 3.828 3.000 ? 594 'X-RAY DIFFRACTION' ? r_dihedral_angle_2_deg ? ? ? ? 'X-RAY DIFFRACTION' ? r_dihedral_angle_3_deg 19.750 15.017 ? 895 'X-RAY DIFFRACTION' ? r_dihedral_angle_4_deg ? ? ? ? 'X-RAY DIFFRACTION' ? r_chiral_restr 0.104 0.200 ? 748 'X-RAY DIFFRACTION' ? r_gen_planes_refined 0.008 0.020 ? 3895 'X-RAY DIFFRACTION' ? r_gen_planes_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbd_refined 0.247 0.300 ? 2298 'X-RAY DIFFRACTION' ? r_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbtor_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbtor_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_refined 0.155 0.500 ? 466 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_metal_ion_refined 0.076 0.500 ? 3 'X-RAY DIFFRACTION' ? r_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_vdw_refined 0.276 0.300 ? 32 'X-RAY DIFFRACTION' ? r_symmetry_vdw_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_hbond_refined 0.204 0.500 ? 7 'X-RAY DIFFRACTION' ? r_symmetry_hbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_metal_ion_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_mcbond_it 0.770 1.500 ? 2995 'X-RAY DIFFRACTION' ? r_mcbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_mcangle_it 1.472 2.000 ? 4808 'X-RAY DIFFRACTION' ? r_scbond_it 1.884 3.000 ? 2128 'X-RAY DIFFRACTION' ? r_scangle_it 3.224 4.500 ? 2166 'X-RAY DIFFRACTION' ? r_rigid_bond_restr ? ? ? ? 'X-RAY DIFFRACTION' ? r_sphericity_free ? ? ? ? 'X-RAY DIFFRACTION' ? r_sphericity_bonded ? ? ? ? 'X-RAY DIFFRACTION' ? # _refine_ls_shell.pdbx_total_number_of_bins_used 20 _refine_ls_shell.d_res_high 2.300 _refine_ls_shell.d_res_low 2.360 _refine_ls_shell.number_reflns_R_work 2025 _refine_ls_shell.R_factor_R_work 0.207 _refine_ls_shell.percent_reflns_obs ? _refine_ls_shell.R_factor_R_free 0.27 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.number_reflns_R_free 109 _refine_ls_shell.number_reflns_all ? _refine_ls_shell.R_factor_all ? _refine_ls_shell.number_reflns_obs ? _refine_ls_shell.redundancy_reflns_obs ? _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' # _struct.entry_id 3BXI _struct.title 'Structure of the complex of bovine lactoperoxidase with its catalyzed product hypothiocyanate ion at 2.3A resolution' _struct.pdbx_descriptor 'Lactoperoxidase (E.C.1.11.1.7)' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 3BXI _struct_keywords.pdbx_keywords OXIDOREDUCTASE _struct_keywords.text ;peroxidase, Heme, antibacterial, Antibiotic, Antimicrobial, Glycoprotein, Hydrogen peroxide, Iron, Metal-binding, Oxidoreductase, Secreted ; # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 2 ? D N N 3 ? E N N 2 ? F N N 2 ? G N N 2 ? H N N 3 ? I N N 2 ? J N N 2 ? K N N 2 ? L N N 4 ? M N N 5 ? N N N 6 ? O N N 6 ? P N N 6 ? Q N N 6 ? R N N 6 ? S N N 7 ? T N N 8 ? U N N 9 ? # _struct_biol.id 1 _struct_biol.details ? # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 1 LEU A 74 ? VAL A 83 ? LEU A 74 VAL A 83 1 ? 10 HELX_P HELX_P2 2 LEU A 98 ? ASP A 112 ? LEU A 98 ASP A 112 1 ? 15 HELX_P HELX_P3 3 HIS A 124 ? CYS A 133 ? HIS A 124 CYS A 133 1 ? 10 HELX_P HELX_P4 4 ASP A 148 ? GLN A 154 ? ASP A 148 GLN A 154 1 ? 7 HELX_P HELX_P5 5 ALA A 189 ? GLY A 194 ? ALA A 189 GLY A 194 1 ? 6 HELX_P HELX_P6 6 GLU A 196 ? ARG A 204 ? GLU A 196 ARG A 204 1 ? 9 HELX_P HELX_P7 7 SER A 235 ? ILE A 240 ? SER A 235 ILE A 240 1 ? 6 HELX_P HELX_P8 8 GLN A 259 ? ASN A 284 ? GLN A 259 ASN A 284 1 ? 26 HELX_P HELX_P9 9 ASN A 288 ? ASP A 311 ? ASN A 288 ASP A 311 1 ? 24 HELX_P HELX_P10 10 LEU A 313 ? GLY A 318 ? LEU A 313 GLY A 318 1 ? 6 HELX_P HELX_P11 11 GLU A 320 ? ILE A 325 ? GLU A 320 ILE A 325 1 ? 6 HELX_P HELX_P12 12 VAL A 342 ? PHE A 347 ? VAL A 342 PHE A 347 1 ? 6 HELX_P HELX_P13 13 ARG A 348 ? VAL A 354 ? ARG A 348 VAL A 354 5 ? 7 HELX_P HELX_P14 14 HIS A 377 ? PHE A 380 ? HIS A 377 PHE A 380 5 ? 4 HELX_P HELX_P15 15 THR A 383 ? LYS A 388 ? THR A 383 LYS A 388 1 ? 6 HELX_P HELX_P16 16 ILE A 392 ? LYS A 402 ? ILE A 392 LYS A 402 1 ? 11 HELX_P HELX_P17 17 THR A 414 ? ASN A 419 ? THR A 414 ASN A 419 1 ? 6 HELX_P HELX_P18 18 ASP A 432 ? HIS A 444 ? ASP A 432 HIS A 444 1 ? 13 HELX_P HELX_P19 19 GLY A 448 ? CYS A 456 ? GLY A 448 CYS A 456 1 ? 9 HELX_P HELX_P20 20 THR A 463 ? LYS A 472 ? THR A 463 LYS A 472 1 ? 10 HELX_P HELX_P21 21 ASN A 473 ? LYS A 485 ? ASN A 473 LYS A 485 1 ? 13 HELX_P HELX_P22 22 THR A 486 ? ILE A 490 ? THR A 486 ILE A 490 5 ? 5 HELX_P HELX_P23 23 ASP A 491 ? GLU A 499 ? ASP A 491 GLU A 499 1 ? 9 HELX_P HELX_P24 24 GLY A 508 ? GLY A 525 ? GLY A 508 GLY A 525 1 ? 18 HELX_P HELX_P25 25 THR A 537 ? GLN A 545 ? THR A 537 GLN A 545 1 ? 9 HELX_P HELX_P26 26 SER A 548 ? THR A 557 ? SER A 548 THR A 557 1 ? 10 HELX_P HELX_P27 27 SER A 580 ? VAL A 582 ? SER A 580 VAL A 582 5 ? 3 HELX_P HELX_P28 28 LEU A 587 ? ALA A 591 ? LEU A 587 ALA A 591 5 ? 5 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # loop_ _struct_conn.id _struct_conn.conn_type_id _struct_conn.pdbx_leaving_atom_flag _struct_conn.pdbx_PDB_id _struct_conn.ptnr1_label_asym_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_seq_id _struct_conn.ptnr1_label_atom_id _struct_conn.pdbx_ptnr1_label_alt_id _struct_conn.pdbx_ptnr1_PDB_ins_code _struct_conn.pdbx_ptnr1_standard_comp_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_asym_id _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_seq_id _struct_conn.ptnr2_label_atom_id _struct_conn.pdbx_ptnr2_label_alt_id _struct_conn.pdbx_ptnr2_PDB_ins_code _struct_conn.ptnr1_auth_asym_id _struct_conn.ptnr1_auth_comp_id _struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr2_auth_asym_id _struct_conn.ptnr2_auth_comp_id _struct_conn.ptnr2_auth_seq_id _struct_conn.ptnr2_symmetry _struct_conn.pdbx_ptnr3_label_atom_id _struct_conn.pdbx_ptnr3_label_seq_id _struct_conn.pdbx_ptnr3_label_comp_id _struct_conn.pdbx_ptnr3_label_asym_id _struct_conn.pdbx_ptnr3_label_alt_id _struct_conn.pdbx_ptnr3_PDB_ins_code _struct_conn.details _struct_conn.pdbx_dist_value _struct_conn.pdbx_value_order disulf1 disulf ? ? A CYS 6 SG ? ? ? 1_555 A CYS 167 SG ? ? A CYS 6 A CYS 167 1_555 ? ? ? ? ? ? ? 1.537 ? disulf2 disulf ? ? A CYS 15 SG ? ? ? 1_555 A CYS 28 SG ? ? A CYS 15 A CYS 28 1_555 ? ? ? ? ? ? ? 2.026 ? disulf3 disulf ? ? A CYS 129 SG ? ? ? 1_555 A CYS 139 SG ? ? A CYS 129 A CYS 139 1_555 ? ? ? ? ? ? ? 2.027 ? disulf4 disulf ? ? A CYS 133 SG ? ? ? 1_555 A CYS 157 SG ? ? A CYS 133 A CYS 157 1_555 ? ? ? ? ? ? ? 2.029 ? disulf5 disulf ? ? A CYS 237 SG ? ? ? 1_555 A CYS 248 SG ? ? A CYS 237 A CYS 248 1_555 ? ? ? ? ? ? ? 2.037 ? disulf6 disulf ? ? A CYS 456 SG ? ? ? 1_555 A CYS 513 SG ? ? A CYS 456 A CYS 513 1_555 ? ? ? ? ? ? ? 2.021 ? disulf7 disulf ? ? A CYS 554 SG ? ? ? 1_555 A CYS 579 SG ? ? A CYS 554 A CYS 579 1_555 ? ? ? ? ? ? ? 2.030 ? covale1 covale ? ? A ASN 95 ND2 ? ? ? 1_555 B NAG . C1 ? ? A ASN 95 A NAG 596 1_555 ? ? ? ? ? ? ? 1.369 ? metalc1 metalc ? ? A ASP 110 O ? ? ? 1_555 L CA . CA ? ? A ASP 110 A CA 606 1_555 ? ? ? ? ? ? ? 2.381 ? metalc2 metalc ? ? A ASP 110 OD1 ? ? ? 1_555 L CA . CA ? ? A ASP 110 A CA 606 1_555 ? ? ? ? ? ? ? 2.387 ? metalc3 metalc ? ? A THR 184 O ? ? ? 1_555 L CA . CA ? ? A THR 184 A CA 606 1_555 ? ? ? ? ? ? ? 2.515 ? metalc4 metalc ? ? A THR 184 OG1 ? ? ? 1_555 L CA . CA ? ? A THR 184 A CA 606 1_555 ? ? ? ? ? ? ? 2.584 ? metalc5 metalc ? ? A PHE 186 O ? ? ? 1_555 L CA . CA ? ? A PHE 186 A CA 606 1_555 ? ? ? ? ? ? ? 2.446 ? metalc6 metalc ? ? A ASP 188 OD1 ? ? ? 1_555 L CA . CA ? ? A ASP 188 A CA 606 1_555 ? ? ? ? ? ? ? 2.536 ? metalc7 metalc ? ? A SER 190 OG ? ? ? 1_555 L CA . CA ? ? A SER 190 A CA 606 1_555 ? ? ? ? ? ? ? 2.636 ? covale2 covale ? ? A ASN 205 ND2 ? ? ? 1_555 E NAG . C1 ? ? A ASN 205 A NAG 599 1_555 ? ? ? ? ? ? ? 1.450 ? covale3 covale ? ? A ASN 241 ND2 ? ? ? 1_555 G NAG . C1 ? ? A ASN 241 A NAG 601 1_555 ? ? ? ? ? ? ? 1.451 ? covale4 covale ? ? A ASN 332 ND2 ? ? ? 1_555 J NAG . C1 ? ? A ASN 332 A NAG 604 1_555 ? ? ? ? ? ? ? 1.458 ? metalc8 metalc ? ? A HIS 351 NE2 ? ? ? 1_555 S HEM . FE ? ? A HIS 351 A HEM 613 1_555 ? ? ? ? ? ? ? 2.136 ? covale5 covale ? ? B NAG . O4 ? ? ? 1_555 C NAG . C1 ? ? A NAG 596 A NAG 597 1_555 ? ? ? ? ? ? ? 1.470 ? covale6 covale ? ? C NAG . O4 ? ? ? 1_555 D MAN . C1 ? ? A NAG 597 A MAN 598 1_555 ? ? ? ? ? ? ? 1.445 ? covale7 covale ? ? E NAG . O4 ? ? ? 1_555 F NAG . C1 ? ? A NAG 599 A NAG 600 1_555 ? ? ? ? ? ? ? 1.389 ? covale8 covale ? ? G NAG . O4 ? ? ? 1_555 I NAG . C1 ? ? A NAG 601 A NAG 603 1_555 ? ? ? ? ? ? ? 1.398 ? covale9 covale ? ? H MAN . C1 ? ? ? 1_555 I NAG . O4 ? ? A MAN 602 A NAG 603 1_555 ? ? ? ? ? ? ? 1.404 ? covale10 covale ? ? J NAG . O4 ? ? ? 1_555 K NAG . C1 ? ? A NAG 604 A NAG 605 1_555 ? ? ? ? ? ? ? 1.392 ? covale11 covale ? ? A GLU 258 OE2 ? ? ? 1_555 S HEM . CMB ? ? A GLU 258 A HEM 613 1_555 ? ? ? ? ? ? ? 1.554 ? covale12 covale ? ? A ASP 108 OD2 ? ? ? 1_555 S HEM . CMD ? ? A ASP 108 A HEM 613 1_555 ? ? ? ? ? ? ? 1.585 ? covale13 covale ? ? A PRO 197 C ? ? ? 1_555 A SEP 198 N ? ? A PRO 197 A SEP 198 1_555 ? ? ? ? ? ? ? 1.374 ? covale14 covale ? ? A SEP 198 C ? ? ? 1_555 A LEU 199 N ? ? A SEP 198 A LEU 199 1_555 ? ? ? ? ? ? ? 1.353 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? metalc ? ? # loop_ _struct_mon_prot_cis.pdbx_id _struct_mon_prot_cis.label_comp_id _struct_mon_prot_cis.label_seq_id _struct_mon_prot_cis.label_asym_id _struct_mon_prot_cis.label_alt_id _struct_mon_prot_cis.pdbx_PDB_ins_code _struct_mon_prot_cis.auth_comp_id _struct_mon_prot_cis.auth_seq_id _struct_mon_prot_cis.auth_asym_id _struct_mon_prot_cis.pdbx_label_comp_id_2 _struct_mon_prot_cis.pdbx_label_seq_id_2 _struct_mon_prot_cis.pdbx_label_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_ins_code_2 _struct_mon_prot_cis.pdbx_auth_comp_id_2 _struct_mon_prot_cis.pdbx_auth_seq_id_2 _struct_mon_prot_cis.pdbx_auth_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_model_num _struct_mon_prot_cis.pdbx_omega_angle 1 LYS 233 A . ? LYS 233 A PRO 234 A ? PRO 234 A 1 0.87 2 TYR 572 A . ? TYR 572 A PRO 573 A ? PRO 573 A 1 0.74 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details A ? 2 ? B ? 2 ? C ? 2 ? D ? 2 ? E ? 2 ? F ? 2 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense A 1 2 ? anti-parallel B 1 2 ? anti-parallel C 1 2 ? anti-parallel D 1 2 ? anti-parallel E 1 2 ? anti-parallel F 1 2 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id A 1 ARG A 41 ? ALA A 42 ? ARG A 41 ALA A 42 A 2 ILE A 180 ? ASN A 181 ? ILE A 180 ASN A 181 B 1 LEU A 92 ? SER A 97 ? LEU A 92 SER A 97 B 2 LYS A 403 ? LYS A 405 ? LYS A 403 LYS A 405 C 1 ILE A 142 ? MET A 143 ? ILE A 142 MET A 143 C 2 CYS A 157 ? MET A 158 ? CYS A 157 MET A 158 D 1 THR A 357 ? SER A 359 ? THR A 357 SER A 359 D 2 GLU A 373 ? PRO A 375 ? GLU A 373 PRO A 375 E 1 LEU A 421 ? PHE A 422 ? LEU A 421 PHE A 422 E 2 HIS A 429 ? PHE A 431 ? HIS A 429 PHE A 431 F 1 LYS A 561 ? PRO A 563 ? LYS A 561 PRO A 563 F 2 PHE A 576 ? ASP A 578 ? PHE A 576 ASP A 578 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id A 1 2 N ARG A 41 ? N ARG A 41 O ASN A 181 ? O ASN A 181 B 1 2 N ASP A 93 ? N ASP A 93 O SER A 404 ? O SER A 404 C 1 2 N ILE A 142 ? N ILE A 142 O MET A 158 ? O MET A 158 D 1 2 N VAL A 358 ? N VAL A 358 O LEU A 374 ? O LEU A 374 E 1 2 N LEU A 421 ? N LEU A 421 O PHE A 431 ? O PHE A 431 F 1 2 N VAL A 562 ? N VAL A 562 O VAL A 577 ? O VAL A 577 # loop_ _struct_site.id _struct_site.pdbx_evidence_code _struct_site.pdbx_auth_asym_id _struct_site.pdbx_auth_comp_id _struct_site.pdbx_auth_seq_id _struct_site.pdbx_auth_ins_code _struct_site.pdbx_num_residues _struct_site.details AC1 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE NAG A 596' AC2 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE NAG A 597' AC3 Software ? ? ? ? 7 'BINDING SITE FOR RESIDUE NAG A 599' AC4 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE NAG A 600' AC5 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE NAG A 601' AC6 Software ? ? ? ? 1 'BINDING SITE FOR RESIDUE MAN A 602' AC7 Software ? ? ? ? 1 'BINDING SITE FOR RESIDUE NAG A 603' AC8 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE NAG A 604' AC9 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE NAG A 605' BC1 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE CA A 606' BC2 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE SCN A 607' BC3 Software ? ? ? ? 9 'BINDING SITE FOR RESIDUE NO3 A 608' BC4 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE NO3 A 609' BC5 Software ? ? ? ? 7 'BINDING SITE FOR RESIDUE NO3 A 610' BC6 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE NO3 A 611' BC7 Software ? ? ? ? 8 'BINDING SITE FOR RESIDUE NO3 A 612' BC8 Software ? ? ? ? 19 'BINDING SITE FOR RESIDUE HEM A 613' BC9 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE OSM A 614' # loop_ _struct_site_gen.id _struct_site_gen.site_id _struct_site_gen.pdbx_num_res _struct_site_gen.label_comp_id _struct_site_gen.label_asym_id _struct_site_gen.label_seq_id _struct_site_gen.pdbx_auth_ins_code _struct_site_gen.auth_comp_id _struct_site_gen.auth_asym_id _struct_site_gen.auth_seq_id _struct_site_gen.label_atom_id _struct_site_gen.label_alt_id _struct_site_gen.symmetry _struct_site_gen.details 1 AC1 5 ASN A 95 ? ASN A 95 . ? 1_555 ? 2 AC1 5 ILE A 315 ? ILE A 315 . ? 1_555 ? 3 AC1 5 ARG A 504 ? ARG A 504 . ? 1_555 ? 4 AC1 5 GLN A 568 ? GLN A 568 . ? 1_555 ? 5 AC1 5 HOH U . ? HOH A 959 . ? 1_555 ? 6 AC2 5 HIS A 565 ? HIS A 565 . ? 1_555 ? 7 AC2 5 GLN A 568 ? GLN A 568 . ? 1_555 ? 8 AC2 5 HOH U . ? HOH A 878 . ? 1_555 ? 9 AC2 5 HOH U . ? HOH A 955 . ? 1_555 ? 10 AC2 5 HOH U . ? HOH A 959 . ? 1_555 ? 11 AC3 7 ASN A 205 ? ASN A 205 . ? 1_555 ? 12 AC3 7 SER A 208 ? SER A 208 . ? 1_555 ? 13 AC3 7 ALA A 214 ? ALA A 214 . ? 1_555 ? 14 AC3 7 GLN A 217 ? GLN A 217 . ? 1_555 ? 15 AC3 7 HOH U . ? HOH A 725 . ? 1_555 ? 16 AC3 7 HOH U . ? HOH A 789 . ? 1_555 ? 17 AC3 7 HOH U . ? HOH A 978 . ? 1_555 ? 18 AC4 2 GLN A 217 ? GLN A 217 . ? 1_555 ? 19 AC4 2 HOH U . ? HOH A 789 . ? 1_555 ? 20 AC5 3 ASN A 241 ? ASN A 241 . ? 1_555 ? 21 AC5 3 ALA A 244 ? ALA A 244 . ? 1_555 ? 22 AC5 3 TRP A 384 ? TRP A 384 . ? 1_555 ? 23 AC6 1 HOH U . ? HOH A 699 . ? 1_555 ? 24 AC7 1 HOH U . ? HOH A 994 . ? 1_555 ? 25 AC8 2 ASN A 332 ? ASN A 332 . ? 1_555 ? 26 AC8 2 HOH U . ? HOH A 818 . ? 1_555 ? 27 AC9 3 HOH U . ? HOH A 818 . ? 1_555 ? 28 AC9 3 HOH U . ? HOH A 966 . ? 1_555 ? 29 AC9 3 HOH U . ? HOH A 981 . ? 1_555 ? 30 BC1 5 ASP A 110 ? ASP A 110 . ? 1_555 ? 31 BC1 5 THR A 184 ? THR A 184 . ? 1_555 ? 32 BC1 5 PHE A 186 ? PHE A 186 . ? 1_555 ? 33 BC1 5 ASP A 188 ? ASP A 188 . ? 1_555 ? 34 BC1 5 SER A 190 ? SER A 190 . ? 1_555 ? 35 BC2 3 ARG A 202 ? ARG A 202 . ? 1_555 ? 36 BC2 3 ASN A 473 ? ASN A 473 . ? 1_455 ? 37 BC2 3 LYS A 474 ? LYS A 474 . ? 1_455 ? 38 BC3 9 ALA A 44 ? ALA A 44 . ? 1_555 ? 39 BC3 9 ARG A 45 ? ARG A 45 . ? 1_555 ? 40 BC3 9 TRP A 46 ? TRP A 46 . ? 1_555 ? 41 BC3 9 LEU A 47 ? LEU A 47 . ? 1_555 ? 42 BC3 9 SER A 340 ? SER A 340 . ? 1_555 ? 43 BC3 9 ASN A 341 ? ASN A 341 . ? 1_555 ? 44 BC3 9 MET A 446 ? MET A 446 . ? 1_555 ? 45 BC3 9 TRP A 452 ? TRP A 452 . ? 1_555 ? 46 BC3 9 HOH U . ? HOH A 625 . ? 1_555 ? 47 BC4 4 GLN A 217 ? GLN A 217 . ? 1_555 ? 48 BC4 4 PRO A 228 ? PRO A 228 . ? 1_555 ? 49 BC4 4 PHE A 229 ? PHE A 229 . ? 1_555 ? 50 BC4 4 HOH U . ? HOH A 965 . ? 1_555 ? 51 BC5 7 GLU A 363 ? GLU A 363 . ? 1_555 ? 52 BC5 7 TYR A 365 ? TYR A 365 . ? 1_555 ? 53 BC5 7 ARG A 397 ? ARG A 397 . ? 1_555 ? 54 BC5 7 ILE A 559 ? ILE A 559 . ? 1_555 ? 55 BC5 7 THR A 560 ? THR A 560 . ? 1_555 ? 56 BC5 7 LYS A 561 ? LYS A 561 . ? 1_555 ? 57 BC5 7 HOH U . ? HOH A 937 . ? 1_555 ? 58 BC6 4 ASN A 95 ? ASN A 95 . ? 1_555 ? 59 BC6 4 ARG A 96 ? ARG A 96 . ? 1_555 ? 60 BC6 4 ARG A 504 ? ARG A 504 . ? 1_555 ? 61 BC6 4 ARG A 506 ? ARG A 506 . ? 1_555 ? 62 BC7 8 GLN A 305 ? GLN A 305 . ? 1_555 ? 63 BC7 8 ILE A 306 ? ILE A 306 . ? 1_555 ? 64 BC7 8 PHE A 309 ? PHE A 309 . ? 1_555 ? 65 BC7 8 ARG A 310 ? ARG A 310 . ? 1_555 ? 66 BC7 8 TRP A 529 ? TRP A 529 . ? 1_555 ? 67 BC7 8 TRP A 530 ? TRP A 530 . ? 1_555 ? 68 BC7 8 GLU A 531 ? GLU A 531 . ? 1_555 ? 69 BC7 8 HOH U . ? HOH A 835 . ? 1_555 ? 70 BC8 19 MET A 101 ? MET A 101 . ? 1_555 ? 71 BC8 19 GLY A 104 ? GLY A 104 . ? 1_555 ? 72 BC8 19 GLN A 105 ? GLN A 105 . ? 1_555 ? 73 BC8 19 ASP A 108 ? ASP A 108 . ? 1_555 ? 74 BC8 19 ASP A 112 ? ASP A 112 . ? 1_555 ? 75 BC8 19 PHE A 113 ? PHE A 113 . ? 1_555 ? 76 BC8 19 ALA A 114 ? ALA A 114 . ? 1_555 ? 77 BC8 19 ARG A 255 ? ARG A 255 . ? 1_555 ? 78 BC8 19 GLU A 258 ? GLU A 258 . ? 1_555 ? 79 BC8 19 THR A 344 ? THR A 344 . ? 1_555 ? 80 BC8 19 PHE A 347 ? PHE A 347 . ? 1_555 ? 81 BC8 19 ARG A 348 ? ARG A 348 . ? 1_555 ? 82 BC8 19 GLY A 350 ? GLY A 350 . ? 1_555 ? 83 BC8 19 HIS A 351 ? HIS A 351 . ? 1_555 ? 84 BC8 19 PHE A 380 ? PHE A 380 . ? 1_555 ? 85 BC8 19 LEU A 417 ? LEU A 417 . ? 1_555 ? 86 BC8 19 ARG A 440 ? ARG A 440 . ? 1_555 ? 87 BC8 19 HOH U . ? HOH A 658 . ? 1_555 ? 88 BC8 19 HOH U . ? HOH A 833 . ? 1_555 ? 89 BC9 3 GLN A 105 ? GLN A 105 . ? 1_555 ? 90 BC9 3 HIS A 109 ? HIS A 109 . ? 1_555 ? 91 BC9 3 HOH U . ? HOH A 710 . ? 1_555 ? # _database_PDB_matrix.entry_id 3BXI _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 3BXI _atom_sites.fract_transf_matrix[1][1] 0.018305 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.004090 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.012397 _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] 0.013191 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _atom_type.symbol C CA FE N O P S # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . SER A 1 1 ? 4.559 -33.353 35.674 1.00 71.35 ? 1 SER A N 1 ATOM 2 C CA . SER A 1 1 ? 3.579 -32.693 34.801 1.00 71.28 ? 1 SER A CA 1 ATOM 3 C C . SER A 1 1 ? 4.000 -31.265 34.470 1.00 71.34 ? 1 SER A C 1 ATOM 4 O O . SER A 1 1 ? 4.864 -30.669 35.099 1.00 71.35 ? 1 SER A O 1 ATOM 5 C CB . SER A 1 1 ? 2.193 -32.664 35.461 1.00 71.14 ? 1 SER A CB 1 ATOM 6 O OG . SER A 1 1 ? 1.863 -33.913 36.044 1.00 70.29 ? 1 SER A OG 1 ATOM 7 N N . TRP A 1 2 ? 3.335 -30.791 33.432 1.00 71.21 ? 2 TRP A N 1 ATOM 8 C CA . TRP A 1 2 ? 3.344 -29.454 32.871 1.00 70.97 ? 2 TRP A CA 1 ATOM 9 C C . TRP A 1 2 ? 2.020 -29.030 33.387 1.00 70.88 ? 2 TRP A C 1 ATOM 10 O O . TRP A 1 2 ? 1.337 -29.863 34.003 1.00 71.01 ? 2 TRP A O 1 ATOM 11 C CB . TRP A 1 2 ? 3.059 -29.410 31.369 1.00 70.96 ? 2 TRP A CB 1 ATOM 12 C CG . TRP A 1 2 ? 4.079 -29.776 30.358 1.00 70.96 ? 2 TRP A CG 1 ATOM 13 C CD1 . TRP A 1 2 ? 5.035 -28.950 29.899 1.00 71.03 ? 2 TRP A CD1 1 ATOM 14 C CD2 . TRP A 1 2 ? 4.242 -31.041 29.693 1.00 71.07 ? 2 TRP A CD2 1 ATOM 15 N NE1 . TRP A 1 2 ? 5.768 -29.599 28.946 1.00 71.00 ? 2 TRP A NE1 1 ATOM 16 C CE2 . TRP A 1 2 ? 5.304 -30.875 28.777 1.00 71.11 ? 2 TRP A CE2 1 ATOM 17 C CE3 . TRP A 1 2 ? 3.594 -32.287 29.728 1.00 70.88 ? 2 TRP A CE3 1 ATOM 18 C CZ2 . TRP A 1 2 ? 5.727 -31.858 27.889 1.00 71.23 ? 2 TRP A CZ2 1 ATOM 19 C CZ3 . TRP A 1 2 ? 4.017 -33.296 28.849 1.00 70.96 ? 2 TRP A CZ3 1 ATOM 20 C CH2 . TRP A 1 2 ? 5.075 -33.071 27.941 1.00 71.06 ? 2 TRP A CH2 1 ATOM 21 N N . GLU A 1 3 ? 1.589 -27.857 33.223 1.00 70.62 ? 3 GLU A N 1 ATOM 22 C CA . GLU A 1 3 ? 0.269 -27.699 33.703 1.00 70.20 ? 3 GLU A CA 1 ATOM 23 C C . GLU A 1 3 ? -0.400 -26.746 32.725 1.00 70.05 ? 3 GLU A C 1 ATOM 24 O O . GLU A 1 3 ? -0.463 -25.549 33.027 1.00 70.27 ? 3 GLU A O 1 ATOM 25 C CB . GLU A 1 3 ? 0.195 -27.137 35.169 1.00 49.73 ? 3 GLU A CB 1 ATOM 26 C CG . GLU A 1 3 ? 1.267 -27.586 36.218 1.00 49.24 ? 3 GLU A CG 1 ATOM 27 C CD . GLU A 1 3 ? 0.807 -27.658 37.684 1.00 49.35 ? 3 GLU A CD 1 ATOM 28 O OE1 . GLU A 1 3 ? -0.396 -27.481 37.924 1.00 49.60 ? 3 GLU A OE1 1 ATOM 29 O OE2 . GLU A 1 3 ? 1.671 -27.890 38.569 1.00 48.95 ? 3 GLU A OE2 1 ATOM 30 N N . VAL A 1 4 ? -0.874 -27.150 31.525 1.00 49.59 ? 4 VAL A N 1 ATOM 31 C CA . VAL A 1 4 ? -1.441 -26.056 30.697 1.00 49.05 ? 4 VAL A CA 1 ATOM 32 C C . VAL A 1 4 ? -2.834 -25.651 31.192 1.00 48.58 ? 4 VAL A C 1 ATOM 33 O O . VAL A 1 4 ? -3.583 -25.022 30.443 1.00 48.90 ? 4 VAL A O 1 ATOM 34 C CB . VAL A 1 4 ? -1.555 -26.426 29.194 1.00 49.26 ? 4 VAL A CB 1 ATOM 35 C CG1 . VAL A 1 4 ? -2.994 -26.675 28.802 1.00 49.33 ? 4 VAL A CG1 1 ATOM 36 C CG2 . VAL A 1 4 ? -0.962 -25.316 28.350 1.00 49.21 ? 4 VAL A CG2 1 ATOM 37 N N . GLY A 1 5 ? -3.134 -26.015 32.407 1.00 47.95 ? 5 GLY A N 1 ATOM 38 C CA . GLY A 1 5 ? -4.486 -25.802 32.957 1.00 47.23 ? 5 GLY A CA 1 ATOM 39 C C . GLY A 1 5 ? -4.809 -24.342 33.326 1.00 46.63 ? 5 GLY A C 1 ATOM 40 O O . GLY A 1 5 ? -5.776 -23.761 32.832 1.00 47.20 ? 5 GLY A O 1 ATOM 41 N N . CYS A 1 6 ? -3.964 -23.743 34.221 1.00 45.80 ? 6 CYS A N 1 ATOM 42 C CA . CYS A 1 6 ? -4.147 -22.380 34.701 1.00 44.74 ? 6 CYS A CA 1 ATOM 43 C C . CYS A 1 6 ? -4.177 -21.362 33.547 1.00 45.16 ? 6 CYS A C 1 ATOM 44 O O . CYS A 1 6 ? -3.271 -21.238 32.714 1.00 44.38 ? 6 CYS A O 1 ATOM 45 C CB . CYS A 1 6 ? -3.079 -22.008 35.731 1.00 44.36 ? 6 CYS A CB 1 ATOM 46 S SG . CYS A 1 6 ? -3.662 -20.873 37.033 1.00 42.93 ? 6 CYS A SG 1 ATOM 47 N N . GLY A 1 7 ? -5.345 -20.779 33.522 1.00 46.01 ? 7 GLY A N 1 ATOM 48 C CA . GLY A 1 7 ? -5.816 -19.776 32.640 1.00 47.25 ? 7 GLY A CA 1 ATOM 49 C C . GLY A 1 7 ? -6.970 -19.299 33.429 1.00 47.99 ? 7 GLY A C 1 ATOM 50 O O . GLY A 1 7 ? -7.867 -20.064 33.794 1.00 48.16 ? 7 GLY A O 1 ATOM 51 N N . ALA A 1 8 ? -6.986 -18.061 33.767 1.00 48.79 ? 8 ALA A N 1 ATOM 52 C CA . ALA A 1 8 ? -8.150 -17.693 34.589 1.00 49.61 ? 8 ALA A CA 1 ATOM 53 C C . ALA A 1 8 ? -8.942 -16.528 33.927 1.00 70.16 ? 8 ALA A C 1 ATOM 54 O O . ALA A 1 8 ? -9.866 -16.749 33.151 1.00 70.76 ? 8 ALA A O 1 ATOM 55 C CB . ALA A 1 8 ? -7.713 -17.330 36.013 1.00 49.48 ? 8 ALA A CB 1 ATOM 56 N N . PRO A 1 9 ? -8.507 -15.266 34.254 1.00 70.50 ? 9 PRO A N 1 ATOM 57 C CA . PRO A 1 9 ? -9.007 -13.950 33.572 1.00 70.66 ? 9 PRO A CA 1 ATOM 58 C C . PRO A 1 9 ? -8.606 -13.687 32.107 1.00 71.01 ? 9 PRO A C 1 ATOM 59 O O . PRO A 1 9 ? -7.875 -12.727 31.883 1.00 70.52 ? 9 PRO A O 1 ATOM 60 C CB . PRO A 1 9 ? -8.548 -12.830 34.498 1.00 70.81 ? 9 PRO A CB 1 ATOM 61 C CG . PRO A 1 9 ? -8.778 -13.427 35.825 1.00 70.41 ? 9 PRO A CG 1 ATOM 62 C CD . PRO A 1 9 ? -8.768 -14.916 35.691 1.00 70.26 ? 9 PRO A CD 1 ATOM 63 N N . VAL A 1 10 ? -9.016 -14.439 31.085 1.00 71.34 ? 10 VAL A N 1 ATOM 64 C CA . VAL A 1 10 ? -8.488 -14.238 29.699 1.00 71.75 ? 10 VAL A CA 1 ATOM 65 C C . VAL A 1 10 ? -8.893 -13.554 28.286 1.00 72.67 ? 10 VAL A C 1 ATOM 66 O O . VAL A 1 10 ? -8.051 -13.345 27.504 1.00 73.17 ? 10 VAL A O 1 ATOM 67 C CB . VAL A 1 10 ? -7.958 -15.596 29.259 1.00 71.14 ? 10 VAL A CB 1 ATOM 68 C CG1 . VAL A 1 10 ? -6.606 -15.915 30.047 1.00 70.50 ? 10 VAL A CG1 1 ATOM 69 C CG2 . VAL A 1 10 ? -8.964 -16.583 29.581 1.00 71.05 ? 10 VAL A CG2 1 ATOM 70 N N . PRO A 1 11 ? -10.242 -13.369 28.115 1.00 73.65 ? 11 PRO A N 1 ATOM 71 C CA . PRO A 1 11 ? -11.243 -12.862 27.162 1.00 73.76 ? 11 PRO A CA 1 ATOM 72 C C . PRO A 1 11 ? -11.244 -13.943 26.107 1.00 73.70 ? 11 PRO A C 1 ATOM 73 O O . PRO A 1 11 ? -10.353 -13.889 25.176 1.00 73.15 ? 11 PRO A O 1 ATOM 74 C CB . PRO A 1 11 ? -10.620 -11.560 26.800 1.00 73.17 ? 11 PRO A CB 1 ATOM 75 C CG . PRO A 1 11 ? -10.600 -11.002 27.962 1.00 73.56 ? 11 PRO A CG 1 ATOM 76 C CD . PRO A 1 11 ? -9.803 -12.190 28.803 1.00 73.67 ? 11 PRO A CD 1 ATOM 77 N N . LEU A 1 12 ? -11.987 -15.016 26.372 1.00 73.74 ? 12 LEU A N 1 ATOM 78 C CA . LEU A 1 12 ? -12.064 -16.180 25.501 1.00 73.55 ? 12 LEU A CA 1 ATOM 79 C C . LEU A 1 12 ? -13.309 -15.901 24.674 1.00 72.97 ? 12 LEU A C 1 ATOM 80 O O . LEU A 1 12 ? -14.224 -15.171 25.099 1.00 73.21 ? 12 LEU A O 1 ATOM 81 C CB . LEU A 1 12 ? -12.264 -17.461 26.338 1.00 73.36 ? 12 LEU A CB 1 ATOM 82 C CG . LEU A 1 12 ? -12.404 -18.746 25.508 1.00 73.56 ? 12 LEU A CG 1 ATOM 83 C CD1 . LEU A 1 12 ? -11.025 -19.322 25.159 1.00 72.56 ? 12 LEU A CD1 1 ATOM 84 C CD2 . LEU A 1 12 ? -13.186 -19.771 26.316 1.00 72.83 ? 12 LEU A CD2 1 ATOM 85 N N . VAL A 1 13 ? -13.307 -16.461 23.473 1.00 71.80 ? 13 VAL A N 1 ATOM 86 C CA . VAL A 1 13 ? -14.419 -16.350 22.532 1.00 70.46 ? 13 VAL A CA 1 ATOM 87 C C . VAL A 1 13 ? -14.338 -17.583 21.640 1.00 68.62 ? 13 VAL A C 1 ATOM 88 O O . VAL A 1 13 ? -13.381 -18.356 21.713 1.00 68.73 ? 13 VAL A O 1 ATOM 89 C CB . VAL A 1 13 ? -14.346 -15.108 21.589 1.00 71.09 ? 13 VAL A CB 1 ATOM 90 C CG1 . VAL A 1 13 ? -15.675 -14.970 20.840 1.00 70.82 ? 13 VAL A CG1 1 ATOM 91 C CG2 . VAL A 1 13 ? -14.046 -13.833 22.370 1.00 71.43 ? 13 VAL A CG2 1 ATOM 92 N N . LYS A 1 14 ? -15.343 -17.743 20.790 1.00 66.08 ? 14 LYS A N 1 ATOM 93 C CA . LYS A 1 14 ? -15.416 -18.874 19.883 1.00 63.30 ? 14 LYS A CA 1 ATOM 94 C C . LYS A 1 14 ? -14.707 -18.495 18.578 1.00 60.36 ? 14 LYS A C 1 ATOM 95 O O . LYS A 1 14 ? -14.783 -17.346 18.141 1.00 59.98 ? 14 LYS A O 1 ATOM 96 C CB . LYS A 1 14 ? -16.892 -19.205 19.632 1.00 64.61 ? 14 LYS A CB 1 ATOM 97 C CG . LYS A 1 14 ? -17.181 -20.661 19.299 1.00 65.82 ? 14 LYS A CG 1 ATOM 98 C CD . LYS A 1 14 ? -18.678 -20.898 19.318 1.00 66.24 ? 14 LYS A CD 1 ATOM 99 C CE . LYS A 1 14 ? -19.054 -22.197 18.638 1.00 66.78 ? 14 LYS A CE 1 ATOM 100 N NZ . LYS A 1 14 ? -20.390 -22.085 17.980 1.00 66.13 ? 14 LYS A NZ 1 ATOM 101 N N . CYS A 1 15 ? -14.012 -19.451 17.967 1.00 55.92 ? 15 CYS A N 1 ATOM 102 C CA . CYS A 1 15 ? -13.297 -19.189 16.721 1.00 51.76 ? 15 CYS A CA 1 ATOM 103 C C . CYS A 1 15 ? -14.226 -19.348 15.506 1.00 53.39 ? 15 CYS A C 1 ATOM 104 O O . CYS A 1 15 ? -14.855 -20.387 15.338 1.00 53.16 ? 15 CYS A O 1 ATOM 105 C CB . CYS A 1 15 ? -12.087 -20.131 16.609 1.00 46.37 ? 15 CYS A CB 1 ATOM 106 S SG . CYS A 1 15 ? -10.835 -19.862 17.915 1.00 39.24 ? 15 CYS A SG 1 ATOM 107 N N . ASP A 1 16 ? -14.323 -18.313 14.671 1.00 54.87 ? 16 ASP A N 1 ATOM 108 C CA . ASP A 1 16 ? -15.141 -18.356 13.473 1.00 57.09 ? 16 ASP A CA 1 ATOM 109 C C . ASP A 1 16 ? -14.556 -19.399 12.505 1.00 58.12 ? 16 ASP A C 1 ATOM 110 O O . ASP A 1 16 ? -15.264 -20.122 11.799 1.00 58.30 ? 16 ASP A O 1 ATOM 111 C CB . ASP A 1 16 ? -15.141 -17.003 12.768 1.00 58.57 ? 16 ASP A CB 1 ATOM 112 C CG . ASP A 1 16 ? -15.958 -16.983 11.486 1.00 59.74 ? 16 ASP A CG 1 ATOM 113 O OD1 . ASP A 1 16 ? -15.656 -17.777 10.563 1.00 60.01 ? 16 ASP A OD1 1 ATOM 114 O OD2 . ASP A 1 16 ? -16.898 -16.157 11.390 1.00 60.88 ? 16 ASP A OD2 1 ATOM 115 N N . GLU A 1 17 ? -13.198 -19.399 12.498 1.00 58.40 ? 17 GLU A N 1 ATOM 116 C CA . GLU A 1 17 ? -12.261 -20.314 11.788 1.00 58.67 ? 17 GLU A CA 1 ATOM 117 C C . GLU A 1 17 ? -12.287 -20.332 10.267 1.00 56.84 ? 17 GLU A C 1 ATOM 118 O O . GLU A 1 17 ? -11.711 -21.231 9.647 1.00 57.72 ? 17 GLU A O 1 ATOM 119 C CB . GLU A 1 17 ? -12.465 -21.734 12.316 1.00 59.83 ? 17 GLU A CB 1 ATOM 120 C CG . GLU A 1 17 ? -11.288 -22.192 13.125 1.00 62.86 ? 17 GLU A CG 1 ATOM 121 C CD . GLU A 1 17 ? -11.607 -23.386 13.961 1.00 64.67 ? 17 GLU A CD 1 ATOM 122 O OE1 . GLU A 1 17 ? -12.718 -23.467 14.517 1.00 65.95 ? 17 GLU A OE1 1 ATOM 123 O OE2 . GLU A 1 17 ? -10.719 -24.263 14.064 1.00 66.57 ? 17 GLU A OE2 1 ATOM 124 N N . ASN A 1 18 ? -12.969 -19.369 9.660 1.00 54.71 ? 18 ASN A N 1 ATOM 125 C CA . ASN A 1 18 ? -12.904 -19.171 8.226 1.00 51.44 ? 18 ASN A CA 1 ATOM 126 C C . ASN A 1 18 ? -13.022 -17.672 7.983 1.00 47.94 ? 18 ASN A C 1 ATOM 127 O O . ASN A 1 18 ? -13.214 -17.211 6.852 1.00 46.83 ? 18 ASN A O 1 ATOM 128 C CB . ASN A 1 18 ? -13.961 -19.977 7.464 1.00 53.97 ? 18 ASN A CB 1 ATOM 129 C CG . ASN A 1 18 ? -13.357 -21.204 6.769 1.00 55.91 ? 18 ASN A CG 1 ATOM 130 O OD1 . ASN A 1 18 ? -13.649 -22.356 7.135 1.00 58.27 ? 18 ASN A OD1 1 ATOM 131 N ND2 . ASN A 1 18 ? -12.532 -20.956 5.757 1.00 55.30 ? 18 ASN A ND2 1 ATOM 132 N N . SER A 1 19 ? -12.897 -16.920 9.077 1.00 43.66 ? 19 SER A N 1 ATOM 133 C CA . SER A 1 19 ? -12.920 -15.468 9.043 1.00 39.31 ? 19 SER A CA 1 ATOM 134 C C . SER A 1 19 ? -11.590 -15.078 8.437 1.00 35.70 ? 19 SER A C 1 ATOM 135 O O . SER A 1 19 ? -10.548 -15.621 8.808 1.00 36.16 ? 19 SER A O 1 ATOM 136 C CB . SER A 1 19 ? -13.033 -14.900 10.460 1.00 39.79 ? 19 SER A CB 1 ATOM 137 O OG . SER A 1 19 ? -12.943 -13.488 10.436 1.00 39.33 ? 19 SER A OG 1 ATOM 138 N N . PRO A 1 20 ? -11.609 -14.156 7.472 1.00 31.99 ? 20 PRO A N 1 ATOM 139 C CA . PRO A 1 20 ? -10.380 -13.707 6.817 1.00 30.34 ? 20 PRO A CA 1 ATOM 140 C C . PRO A 1 20 ? -9.692 -12.637 7.675 1.00 29.16 ? 20 PRO A C 1 ATOM 141 O O . PRO A 1 20 ? -8.643 -12.099 7.301 1.00 28.99 ? 20 PRO A O 1 ATOM 142 C CB . PRO A 1 20 ? -10.877 -13.101 5.502 1.00 29.87 ? 20 PRO A CB 1 ATOM 143 C CG . PRO A 1 20 ? -12.385 -13.358 5.480 1.00 30.41 ? 20 PRO A CG 1 ATOM 144 C CD . PRO A 1 20 ? -12.782 -13.478 6.904 1.00 31.53 ? 20 PRO A CD 1 ATOM 145 N N . TYR A 1 21 ? -10.294 -12.333 8.822 1.00 26.34 ? 21 TYR A N 1 ATOM 146 C CA . TYR A 1 21 ? -9.785 -11.287 9.701 1.00 25.74 ? 21 TYR A CA 1 ATOM 147 C C . TYR A 1 21 ? -9.312 -11.748 11.078 1.00 24.17 ? 21 TYR A C 1 ATOM 148 O O . TYR A 1 21 ? -9.855 -12.697 11.658 1.00 22.89 ? 21 TYR A O 1 ATOM 149 C CB . TYR A 1 21 ? -10.868 -10.221 9.870 1.00 25.62 ? 21 TYR A CB 1 ATOM 150 C CG . TYR A 1 21 ? -11.412 -9.698 8.561 1.00 28.29 ? 21 TYR A CG 1 ATOM 151 C CD1 . TYR A 1 21 ? -12.771 -9.797 8.257 1.00 28.78 ? 21 TYR A CD1 1 ATOM 152 C CD2 . TYR A 1 21 ? -10.574 -9.082 7.636 1.00 28.94 ? 21 TYR A CD2 1 ATOM 153 C CE1 . TYR A 1 21 ? -13.282 -9.288 7.064 1.00 30.30 ? 21 TYR A CE1 1 ATOM 154 C CE2 . TYR A 1 21 ? -11.071 -8.572 6.443 1.00 30.03 ? 21 TYR A CE2 1 ATOM 155 C CZ . TYR A 1 21 ? -12.428 -8.676 6.163 1.00 30.65 ? 21 TYR A CZ 1 ATOM 156 O OH . TYR A 1 21 ? -12.927 -8.156 4.991 1.00 30.44 ? 21 TYR A OH 1 ATOM 157 N N . ARG A 1 22 ? -8.293 -11.073 11.602 1.00 21.64 ? 22 ARG A N 1 ATOM 158 C CA . ARG A 1 22 ? -7.790 -11.409 12.929 1.00 19.76 ? 22 ARG A CA 1 ATOM 159 C C . ARG A 1 22 ? -8.845 -11.026 13.955 1.00 18.09 ? 22 ARG A C 1 ATOM 160 O O . ARG A 1 22 ? -9.686 -10.163 13.705 1.00 16.53 ? 22 ARG A O 1 ATOM 161 C CB . ARG A 1 22 ? -6.556 -10.592 13.298 1.00 18.86 ? 22 ARG A CB 1 ATOM 162 C CG . ARG A 1 22 ? -5.341 -10.699 12.432 1.00 17.94 ? 22 ARG A CG 1 ATOM 163 C CD . ARG A 1 22 ? -4.362 -9.648 12.941 1.00 17.63 ? 22 ARG A CD 1 ATOM 164 N NE . ARG A 1 22 ? -3.105 -9.588 12.210 1.00 14.78 ? 22 ARG A NE 1 ATOM 165 C CZ . ARG A 1 22 ? -2.075 -10.395 12.421 1.00 15.39 ? 22 ARG A CZ 1 ATOM 166 N NH1 . ARG A 1 22 ? -2.142 -11.341 13.352 1.00 16.23 ? 22 ARG A NH1 1 ATOM 167 N NH2 . ARG A 1 22 ? -0.974 -10.254 11.697 1.00 17.40 ? 22 ARG A NH2 1 ATOM 168 N N . THR A 1 23 ? -8.797 -11.674 15.110 1.00 17.55 ? 23 THR A N 1 ATOM 169 C CA . THR A 1 23 ? -9.687 -11.311 16.204 1.00 18.67 ? 23 THR A CA 1 ATOM 170 C C . THR A 1 23 ? -8.967 -10.121 16.857 1.00 19.35 ? 23 THR A C 1 ATOM 171 O O . THR A 1 23 ? -7.804 -9.842 16.545 1.00 18.10 ? 23 THR A O 1 ATOM 172 C CB . THR A 1 23 ? -9.808 -12.431 17.262 1.00 17.87 ? 23 THR A CB 1 ATOM 173 O OG1 . THR A 1 23 ? -8.496 -12.880 17.625 1.00 20.20 ? 23 THR A OG1 1 ATOM 174 C CG2 . THR A 1 23 ? -10.631 -13.604 16.727 1.00 16.83 ? 23 THR A CG2 1 ATOM 175 N N . ILE A 1 24 ? -9.662 -9.422 17.746 1.00 19.18 ? 24 ILE A N 1 ATOM 176 C CA . ILE A 1 24 ? -9.098 -8.287 18.459 1.00 19.83 ? 24 ILE A CA 1 ATOM 177 C C . ILE A 1 24 ? -8.129 -8.763 19.561 1.00 19.81 ? 24 ILE A C 1 ATOM 178 O O . ILE A 1 24 ? -7.081 -8.160 19.775 1.00 20.19 ? 24 ILE A O 1 ATOM 179 C CB . ILE A 1 24 ? -10.246 -7.430 19.084 1.00 19.10 ? 24 ILE A CB 1 ATOM 180 C CG1 . ILE A 1 24 ? -10.848 -6.498 18.019 1.00 21.41 ? 24 ILE A CG1 1 ATOM 181 C CG2 . ILE A 1 24 ? -9.750 -6.664 20.294 1.00 19.13 ? 24 ILE A CG2 1 ATOM 182 C CD1 . ILE A 1 24 ? -9.884 -5.446 17.452 1.00 18.99 ? 24 ILE A CD1 1 ATOM 183 N N . THR A 1 25 ? -8.479 -9.859 20.233 1.00 20.53 ? 25 THR A N 1 ATOM 184 C CA . THR A 1 25 ? -7.675 -10.406 21.332 1.00 21.71 ? 25 THR A CA 1 ATOM 185 C C . THR A 1 25 ? -6.494 -11.284 20.941 1.00 21.59 ? 25 THR A C 1 ATOM 186 O O . THR A 1 25 ? -5.662 -11.601 21.790 1.00 22.65 ? 25 THR A O 1 ATOM 187 C CB . THR A 1 25 ? -8.540 -11.246 22.292 1.00 21.75 ? 25 THR A CB 1 ATOM 188 O OG1 . THR A 1 25 ? -9.089 -12.364 21.582 1.00 22.73 ? 25 THR A OG1 1 ATOM 189 C CG2 . THR A 1 25 ? -9.667 -10.412 22.866 1.00 21.36 ? 25 THR A CG2 1 ATOM 190 N N . GLY A 1 26 ? -6.428 -11.701 19.680 1.00 21.44 ? 26 GLY A N 1 ATOM 191 C CA . GLY A 1 26 ? -5.330 -12.552 19.242 1.00 21.59 ? 26 GLY A CA 1 ATOM 192 C C . GLY A 1 26 ? -5.662 -14.037 19.284 1.00 22.53 ? 26 GLY A C 1 ATOM 193 O O . GLY A 1 26 ? -4.875 -14.882 18.855 1.00 22.69 ? 26 GLY A O 1 ATOM 194 N N . ASP A 1 27 ? -6.830 -14.362 19.821 1.00 22.50 ? 27 ASP A N 1 ATOM 195 C CA . ASP A 1 27 ? -7.261 -15.751 19.894 1.00 20.98 ? 27 ASP A CA 1 ATOM 196 C C . ASP A 1 27 ? -7.578 -16.245 18.481 1.00 20.33 ? 27 ASP A C 1 ATOM 197 O O . ASP A 1 27 ? -7.813 -15.445 17.577 1.00 17.15 ? 27 ASP A O 1 ATOM 198 C CB . ASP A 1 27 ? -8.514 -15.860 20.774 1.00 22.53 ? 27 ASP A CB 1 ATOM 199 C CG . ASP A 1 27 ? -8.215 -15.663 22.245 1.00 22.52 ? 27 ASP A CG 1 ATOM 200 O OD1 . ASP A 1 27 ? -7.762 -16.628 22.906 1.00 24.01 ? 27 ASP A OD1 1 ATOM 201 O OD2 . ASP A 1 27 ? -8.433 -14.537 22.740 1.00 24.20 ? 27 ASP A OD2 1 ATOM 202 N N . CYS A 1 28 ? -7.542 -17.561 18.295 1.00 21.49 ? 28 CYS A N 1 ATOM 203 C CA . CYS A 1 28 ? -7.888 -18.192 17.027 1.00 23.99 ? 28 CYS A CA 1 ATOM 204 C C . CYS A 1 28 ? -6.897 -18.065 15.888 1.00 23.46 ? 28 CYS A C 1 ATOM 205 O O . CYS A 1 28 ? -7.178 -18.503 14.776 1.00 24.86 ? 28 CYS A O 1 ATOM 206 C CB . CYS A 1 28 ? -9.258 -17.685 16.571 1.00 26.67 ? 28 CYS A CB 1 ATOM 207 S SG . CYS A 1 28 ? -10.537 -17.859 17.853 1.00 30.55 ? 28 CYS A SG 1 ATOM 208 N N . ASN A 1 29 ? -5.744 -17.465 16.153 1.00 22.52 ? 29 ASN A N 1 ATOM 209 C CA . ASN A 1 29 ? -4.719 -17.314 15.122 1.00 20.79 ? 29 ASN A CA 1 ATOM 210 C C . ASN A 1 29 ? -4.191 -18.722 14.834 1.00 21.51 ? 29 ASN A C 1 ATOM 211 O O . ASN A 1 29 ? -4.127 -19.159 13.688 1.00 20.58 ? 29 ASN A O 1 ATOM 212 C CB . ASN A 1 29 ? -3.604 -16.410 15.646 1.00 18.97 ? 29 ASN A CB 1 ATOM 213 C CG . ASN A 1 29 ? -2.570 -16.074 14.594 1.00 15.30 ? 29 ASN A CG 1 ATOM 214 O OD1 . ASN A 1 29 ? -1.822 -16.939 14.141 1.00 15.95 ? 29 ASN A OD1 1 ATOM 215 N ND2 . ASN A 1 29 ? -2.519 -14.807 14.202 1.00 15.17 ? 29 ASN A ND2 1 ATOM 216 N N . ASN A 1 30 ? -3.823 -19.427 15.899 1.00 23.23 ? 30 ASN A N 1 ATOM 217 C CA . ASN A 1 30 ? -3.343 -20.796 15.790 1.00 23.99 ? 30 ASN A CA 1 ATOM 218 C C . ASN A 1 30 ? -4.561 -21.697 15.977 1.00 25.81 ? 30 ASN A C 1 ATOM 219 O O . ASN A 1 30 ? -5.254 -21.626 16.996 1.00 24.05 ? 30 ASN A O 1 ATOM 220 C CB . ASN A 1 30 ? -2.298 -21.083 16.865 1.00 22.74 ? 30 ASN A CB 1 ATOM 221 C CG . ASN A 1 30 ? -1.553 -22.380 16.619 1.00 22.63 ? 30 ASN A CG 1 ATOM 222 O OD1 . ASN A 1 30 ? -2.066 -23.462 16.890 1.00 23.40 ? 30 ASN A OD1 1 ATOM 223 N ND2 . ASN A 1 30 ? -0.335 -22.276 16.088 1.00 22.76 ? 30 ASN A ND2 1 ATOM 224 N N . ARG A 1 31 ? -4.814 -22.537 14.979 1.00 29.08 ? 31 ARG A N 1 ATOM 225 C CA . ARG A 1 31 ? -5.958 -23.439 14.985 1.00 32.68 ? 31 ARG A CA 1 ATOM 226 C C . ARG A 1 31 ? -5.906 -24.581 15.994 1.00 33.86 ? 31 ARG A C 1 ATOM 227 O O . ARG A 1 31 ? -6.920 -24.897 16.615 1.00 35.66 ? 31 ARG A O 1 ATOM 228 C CB . ARG A 1 31 ? -6.177 -23.991 13.573 1.00 35.58 ? 31 ARG A CB 1 ATOM 229 C CG . ARG A 1 31 ? -6.927 -23.030 12.657 1.00 37.97 ? 31 ARG A CG 1 ATOM 230 C CD . ARG A 1 31 ? -6.862 -23.460 11.195 1.00 42.40 ? 31 ARG A CD 1 ATOM 231 N NE . ARG A 1 31 ? -7.878 -22.785 10.388 1.00 44.36 ? 31 ARG A NE 1 ATOM 232 C CZ . ARG A 1 31 ? -7.724 -22.439 9.114 1.00 44.02 ? 31 ARG A CZ 1 ATOM 233 N NH1 . ARG A 1 31 ? -6.584 -22.698 8.487 1.00 44.57 ? 31 ARG A NH1 1 ATOM 234 N NH2 . ARG A 1 31 ? -8.714 -21.838 8.464 1.00 44.37 ? 31 ARG A NH2 1 ATOM 235 N N . ARG A 1 32 ? -4.739 -25.199 16.165 1.00 34.26 ? 32 ARG A N 1 ATOM 236 C CA . ARG A 1 32 ? -4.614 -26.301 17.113 1.00 35.99 ? 32 ARG A CA 1 ATOM 237 C C . ARG A 1 32 ? -4.599 -25.836 18.561 1.00 34.36 ? 32 ARG A C 1 ATOM 238 O O . ARG A 1 32 ? -5.083 -26.536 19.445 1.00 34.18 ? 32 ARG A O 1 ATOM 239 C CB . ARG A 1 32 ? -3.359 -27.135 16.826 1.00 38.93 ? 32 ARG A CB 1 ATOM 240 C CG . ARG A 1 32 ? -3.511 -28.061 15.626 1.00 44.86 ? 32 ARG A CG 1 ATOM 241 C CD . ARG A 1 32 ? -2.484 -29.202 15.615 1.00 49.67 ? 32 ARG A CD 1 ATOM 242 N NE . ARG A 1 32 ? -1.158 -28.789 15.148 1.00 53.68 ? 32 ARG A NE 1 ATOM 243 C CZ . ARG A 1 32 ? -0.171 -28.362 15.933 1.00 55.14 ? 32 ARG A CZ 1 ATOM 244 N NH1 . ARG A 1 32 ? -0.345 -28.287 17.247 1.00 55.94 ? 32 ARG A NH1 1 ATOM 245 N NH2 . ARG A 1 32 ? 0.998 -28.016 15.403 1.00 55.55 ? 32 ARG A NH2 1 ATOM 246 N N . SER A 1 33 ? -4.043 -24.654 18.801 1.00 31.44 ? 33 SER A N 1 ATOM 247 C CA . SER A 1 33 ? -3.970 -24.101 20.154 1.00 30.42 ? 33 SER A CA 1 ATOM 248 C C . SER A 1 33 ? -4.409 -22.634 20.071 1.00 28.09 ? 33 SER A C 1 ATOM 249 O O . SER A 1 33 ? -3.582 -21.726 20.090 1.00 29.38 ? 33 SER A O 1 ATOM 250 C CB . SER A 1 33 ? -2.535 -24.213 20.664 1.00 29.76 ? 33 SER A CB 1 ATOM 251 O OG . SER A 1 33 ? -2.496 -24.029 22.062 1.00 34.58 ? 33 SER A OG 1 ATOM 252 N N . PRO A 1 34 ? -5.730 -22.393 20.024 1.00 26.57 ? 34 PRO A N 1 ATOM 253 C CA . PRO A 1 34 ? -6.370 -21.074 19.916 1.00 25.46 ? 34 PRO A CA 1 ATOM 254 C C . PRO A 1 34 ? -5.908 -19.902 20.778 1.00 24.47 ? 34 PRO A C 1 ATOM 255 O O . PRO A 1 34 ? -5.968 -18.758 20.329 1.00 24.96 ? 34 PRO A O 1 ATOM 256 C CB . PRO A 1 34 ? -7.855 -21.375 20.141 1.00 24.98 ? 34 PRO A CB 1 ATOM 257 C CG . PRO A 1 34 ? -7.974 -22.859 19.887 1.00 27.36 ? 34 PRO A CG 1 ATOM 258 C CD . PRO A 1 34 ? -6.713 -23.405 20.451 1.00 25.24 ? 34 PRO A CD 1 ATOM 259 N N . ALA A 1 35 ? -5.467 -20.149 22.005 1.00 22.84 ? 35 ALA A N 1 ATOM 260 C CA . ALA A 1 35 ? -5.056 -19.032 22.855 1.00 22.63 ? 35 ALA A CA 1 ATOM 261 C C . ALA A 1 35 ? -3.603 -18.589 22.675 1.00 22.16 ? 35 ALA A C 1 ATOM 262 O O . ALA A 1 35 ? -3.176 -17.596 23.256 1.00 21.72 ? 35 ALA A O 1 ATOM 263 C CB . ALA A 1 35 ? -5.325 -19.362 24.314 1.00 21.24 ? 35 ALA A CB 1 ATOM 264 N N . LEU A 1 36 ? -2.856 -19.318 21.855 1.00 23.27 ? 36 LEU A N 1 ATOM 265 C CA . LEU A 1 36 ? -1.451 -19.013 21.600 1.00 24.28 ? 36 LEU A CA 1 ATOM 266 C C . LEU A 1 36 ? -1.239 -17.607 21.020 1.00 24.44 ? 36 LEU A C 1 ATOM 267 O O . LEU A 1 36 ? -1.698 -17.305 19.913 1.00 24.63 ? 36 LEU A O 1 ATOM 268 C CB . LEU A 1 36 ? -0.880 -20.070 20.651 1.00 24.07 ? 36 LEU A CB 1 ATOM 269 C CG . LEU A 1 36 ? 0.551 -20.587 20.838 1.00 27.96 ? 36 LEU A CG 1 ATOM 270 C CD1 . LEU A 1 36 ? 0.836 -20.914 22.305 1.00 26.08 ? 36 LEU A CD1 1 ATOM 271 C CD2 . LEU A 1 36 ? 0.729 -21.832 19.977 1.00 26.49 ? 36 LEU A CD2 1 ATOM 272 N N . GLY A 1 37 ? -0.548 -16.753 21.780 1.00 23.68 ? 37 GLY A N 1 ATOM 273 C CA . GLY A 1 37 ? -0.264 -15.397 21.331 1.00 20.42 ? 37 GLY A CA 1 ATOM 274 C C . GLY A 1 37 ? -1.335 -14.375 21.658 1.00 20.11 ? 37 GLY A C 1 ATOM 275 O O . GLY A 1 37 ? -1.205 -13.199 21.317 1.00 18.99 ? 37 GLY A O 1 ATOM 276 N N . ALA A 1 38 ? -2.395 -14.822 22.325 1.00 19.91 ? 38 ALA A N 1 ATOM 277 C CA . ALA A 1 38 ? -3.507 -13.950 22.694 1.00 19.16 ? 38 ALA A CA 1 ATOM 278 C C . ALA A 1 38 ? -3.121 -13.001 23.817 1.00 19.28 ? 38 ALA A C 1 ATOM 279 O O . ALA A 1 38 ? -2.149 -13.236 24.536 1.00 18.72 ? 38 ALA A O 1 ATOM 280 C CB . ALA A 1 38 ? -4.716 -14.792 23.114 1.00 17.26 ? 38 ALA A CB 1 ATOM 281 N N . ALA A 1 39 ? -3.893 -11.931 23.966 1.00 18.76 ? 39 ALA A N 1 ATOM 282 C CA . ALA A 1 39 ? -3.641 -10.947 25.008 1.00 19.32 ? 39 ALA A CA 1 ATOM 283 C C . ALA A 1 39 ? -4.150 -11.451 26.352 1.00 20.37 ? 39 ALA A C 1 ATOM 284 O O . ALA A 1 39 ? -5.028 -12.313 26.413 1.00 21.29 ? 39 ALA A O 1 ATOM 285 C CB . ALA A 1 39 ? -4.317 -9.623 24.659 1.00 17.72 ? 39 ALA A CB 1 ATOM 286 N N . ASN A 1 40 ? -3.577 -10.909 27.422 1.00 21.56 ? 40 ASN A N 1 ATOM 287 C CA . ASN A 1 40 ? -3.944 -11.258 28.788 1.00 23.65 ? 40 ASN A CA 1 ATOM 288 C C . ASN A 1 40 ? -3.586 -12.674 29.195 1.00 22.95 ? 40 ASN A C 1 ATOM 289 O O . ASN A 1 40 ? -4.294 -13.314 29.972 1.00 21.66 ? 40 ASN A O 1 ATOM 290 C CB . ASN A 1 40 ? -5.430 -10.981 29.021 1.00 25.67 ? 40 ASN A CB 1 ATOM 291 C CG . ASN A 1 40 ? -5.735 -9.499 29.015 1.00 29.39 ? 40 ASN A CG 1 ATOM 292 O OD1 . ASN A 1 40 ? -5.193 -8.748 29.825 1.00 30.62 ? 40 ASN A OD1 1 ATOM 293 N ND2 . ASN A 1 40 ? -6.589 -9.066 28.094 1.00 30.65 ? 40 ASN A ND2 1 ATOM 294 N N . ARG A 1 41 ? -2.468 -13.143 28.655 1.00 21.59 ? 41 ARG A N 1 ATOM 295 C CA . ARG A 1 41 ? -1.922 -14.455 28.961 1.00 21.40 ? 41 ARG A CA 1 ATOM 296 C C . ARG A 1 41 ? -0.505 -14.179 29.455 1.00 20.64 ? 41 ARG A C 1 ATOM 297 O O . ARG A 1 41 ? 0.023 -13.074 29.288 1.00 20.94 ? 41 ARG A O 1 ATOM 298 C CB . ARG A 1 41 ? -1.855 -15.323 27.705 1.00 22.18 ? 41 ARG A CB 1 ATOM 299 C CG . ARG A 1 41 ? -3.192 -15.601 27.077 1.00 25.05 ? 41 ARG A CG 1 ATOM 300 C CD . ARG A 1 41 ? -3.732 -16.895 27.596 1.00 28.02 ? 41 ARG A CD 1 ATOM 301 N NE . ARG A 1 41 ? -5.172 -17.023 27.412 1.00 31.44 ? 41 ARG A NE 1 ATOM 302 C CZ . ARG A 1 41 ? -5.860 -18.104 27.771 1.00 34.35 ? 41 ARG A CZ 1 ATOM 303 N NH1 . ARG A 1 41 ? -5.228 -19.138 28.318 1.00 35.23 ? 41 ARG A NH1 1 ATOM 304 N NH2 . ARG A 1 41 ? -7.176 -18.150 27.610 1.00 36.00 ? 41 ARG A NH2 1 ATOM 305 N N . ALA A 1 42 ? 0.115 -15.187 30.045 1.00 17.52 ? 42 ALA A N 1 ATOM 306 C CA . ALA A 1 42 ? 1.459 -15.043 30.557 1.00 16.95 ? 42 ALA A CA 1 ATOM 307 C C . ALA A 1 42 ? 2.501 -14.906 29.457 1.00 16.84 ? 42 ALA A C 1 ATOM 308 O O . ALA A 1 42 ? 2.352 -15.451 28.365 1.00 16.13 ? 42 ALA A O 1 ATOM 309 C CB . ALA A 1 42 ? 1.797 -16.243 31.434 1.00 18.05 ? 42 ALA A CB 1 ATOM 310 N N . LEU A 1 43 ? 3.542 -14.140 29.754 1.00 15.21 ? 43 LEU A N 1 ATOM 311 C CA . LEU A 1 43 ? 4.666 -13.977 28.849 1.00 12.87 ? 43 LEU A CA 1 ATOM 312 C C . LEU A 1 43 ? 5.317 -15.367 28.845 1.00 13.66 ? 43 LEU A C 1 ATOM 313 O O . LEU A 1 43 ? 5.287 -16.067 29.866 1.00 12.49 ? 43 LEU A O 1 ATOM 314 C CB . LEU A 1 43 ? 5.645 -12.935 29.423 1.00 11.16 ? 43 LEU A CB 1 ATOM 315 C CG . LEU A 1 43 ? 5.186 -11.468 29.363 1.00 10.29 ? 43 LEU A CG 1 ATOM 316 C CD1 . LEU A 1 43 ? 5.901 -10.617 30.407 1.00 6.99 ? 43 LEU A CD1 1 ATOM 317 C CD2 . LEU A 1 43 ? 5.435 -10.929 27.954 1.00 8.61 ? 43 LEU A CD2 1 ATOM 318 N N . ALA A 1 44 ? 5.868 -15.782 27.705 1.00 12.34 ? 44 ALA A N 1 ATOM 319 C CA . ALA A 1 44 ? 6.532 -17.079 27.614 1.00 11.09 ? 44 ALA A CA 1 ATOM 320 C C . ALA A 1 44 ? 7.866 -17.013 28.365 1.00 12.35 ? 44 ALA A C 1 ATOM 321 O O . ALA A 1 44 ? 8.413 -15.928 28.568 1.00 11.40 ? 44 ALA A O 1 ATOM 322 C CB . ALA A 1 44 ? 6.781 -17.441 26.152 1.00 10.74 ? 44 ALA A CB 1 ATOM 323 N N . ARG A 1 45 ? 8.381 -18.172 28.769 1.00 11.80 ? 45 ARG A N 1 ATOM 324 C CA . ARG A 1 45 ? 9.655 -18.250 29.480 1.00 14.55 ? 45 ARG A CA 1 ATOM 325 C C . ARG A 1 45 ? 10.595 -19.085 28.633 1.00 15.51 ? 45 ARG A C 1 ATOM 326 O O . ARG A 1 45 ? 10.317 -20.254 28.396 1.00 18.15 ? 45 ARG A O 1 ATOM 327 C CB . ARG A 1 45 ? 9.497 -18.958 30.836 1.00 15.47 ? 45 ARG A CB 1 ATOM 328 C CG . ARG A 1 45 ? 8.827 -18.154 31.951 1.00 16.05 ? 45 ARG A CG 1 ATOM 329 C CD . ARG A 1 45 ? 9.796 -17.241 32.685 1.00 13.50 ? 45 ARG A CD 1 ATOM 330 N NE . ARG A 1 45 ? 9.117 -16.497 33.746 1.00 16.17 ? 45 ARG A NE 1 ATOM 331 C CZ . ARG A 1 45 ? 9.678 -15.530 34.464 1.00 14.84 ? 45 ARG A CZ 1 ATOM 332 N NH1 . ARG A 1 45 ? 10.942 -15.182 34.241 1.00 13.82 ? 45 ARG A NH1 1 ATOM 333 N NH2 . ARG A 1 45 ? 8.973 -14.902 35.397 1.00 14.29 ? 45 ARG A NH2 1 ATOM 334 N N . TRP A 1 46 ? 11.690 -18.506 28.156 1.00 14.51 ? 46 TRP A N 1 ATOM 335 C CA . TRP A 1 46 ? 12.624 -19.305 27.383 1.00 14.30 ? 46 TRP A CA 1 ATOM 336 C C . TRP A 1 46 ? 13.543 -20.059 28.354 1.00 15.30 ? 46 TRP A C 1 ATOM 337 O O . TRP A 1 46 ? 14.136 -21.077 27.999 1.00 15.02 ? 46 TRP A O 1 ATOM 338 C CB . TRP A 1 46 ? 13.417 -18.429 26.401 1.00 15.36 ? 46 TRP A CB 1 ATOM 339 C CG . TRP A 1 46 ? 12.564 -17.929 25.232 1.00 16.09 ? 46 TRP A CG 1 ATOM 340 C CD1 . TRP A 1 46 ? 11.303 -18.356 24.886 1.00 16.06 ? 46 TRP A CD1 1 ATOM 341 C CD2 . TRP A 1 46 ? 12.913 -16.916 24.278 1.00 16.00 ? 46 TRP A CD2 1 ATOM 342 N NE1 . TRP A 1 46 ? 10.852 -17.669 23.784 1.00 16.15 ? 46 TRP A NE1 1 ATOM 343 C CE2 . TRP A 1 46 ? 11.819 -16.782 23.388 1.00 14.99 ? 46 TRP A CE2 1 ATOM 344 C CE3 . TRP A 1 46 ? 14.044 -16.109 24.084 1.00 16.33 ? 46 TRP A CE3 1 ATOM 345 C CZ2 . TRP A 1 46 ? 11.822 -15.872 22.326 1.00 15.54 ? 46 TRP A CZ2 1 ATOM 346 C CZ3 . TRP A 1 46 ? 14.045 -15.199 23.021 1.00 16.38 ? 46 TRP A CZ3 1 ATOM 347 C CH2 . TRP A 1 46 ? 12.940 -15.093 22.157 1.00 14.96 ? 46 TRP A CH2 1 ATOM 348 N N . LEU A 1 47 ? 13.644 -19.550 29.583 1.00 15.36 ? 47 LEU A N 1 ATOM 349 C CA . LEU A 1 47 ? 14.435 -20.176 30.652 1.00 16.31 ? 47 LEU A CA 1 ATOM 350 C C . LEU A 1 47 ? 13.640 -20.081 31.944 1.00 17.13 ? 47 LEU A C 1 ATOM 351 O O . LEU A 1 47 ? 12.811 -19.177 32.104 1.00 20.02 ? 47 LEU A O 1 ATOM 352 C CB . LEU A 1 47 ? 15.774 -19.464 30.865 1.00 14.47 ? 47 LEU A CB 1 ATOM 353 C CG . LEU A 1 47 ? 16.908 -19.681 29.864 1.00 15.72 ? 47 LEU A CG 1 ATOM 354 C CD1 . LEU A 1 47 ? 18.128 -18.857 30.283 1.00 16.88 ? 47 LEU A CD1 1 ATOM 355 C CD2 . LEU A 1 47 ? 17.254 -21.156 29.815 1.00 16.72 ? 47 LEU A CD2 1 ATOM 356 N N . PRO A 1 48 ? 13.869 -21.013 32.883 1.00 17.30 ? 48 PRO A N 1 ATOM 357 C CA . PRO A 1 48 ? 13.132 -20.960 34.148 1.00 16.22 ? 48 PRO A CA 1 ATOM 358 C C . PRO A 1 48 ? 13.353 -19.632 34.868 1.00 15.56 ? 48 PRO A C 1 ATOM 359 O O . PRO A 1 48 ? 14.420 -19.025 34.762 1.00 15.56 ? 48 PRO A O 1 ATOM 360 C CB . PRO A 1 48 ? 13.709 -22.134 34.942 1.00 15.25 ? 48 PRO A CB 1 ATOM 361 C CG . PRO A 1 48 ? 14.094 -23.104 33.892 1.00 17.23 ? 48 PRO A CG 1 ATOM 362 C CD . PRO A 1 48 ? 14.707 -22.226 32.811 1.00 16.73 ? 48 PRO A CD 1 ATOM 363 N N . ALA A 1 49 ? 12.339 -19.194 35.604 1.00 15.26 ? 49 ALA A N 1 ATOM 364 C CA . ALA A 1 49 ? 12.419 -17.953 36.352 1.00 15.91 ? 49 ALA A CA 1 ATOM 365 C C . ALA A 1 49 ? 13.423 -18.091 37.486 1.00 17.38 ? 49 ALA A C 1 ATOM 366 O O . ALA A 1 49 ? 13.646 -19.184 38.008 1.00 17.89 ? 49 ALA A O 1 ATOM 367 C CB . ALA A 1 49 ? 11.048 -17.594 36.916 1.00 15.03 ? 49 ALA A CB 1 ATOM 368 N N . GLU A 1 50 ? 14.032 -16.974 37.861 1.00 18.24 ? 50 GLU A N 1 ATOM 369 C CA . GLU A 1 50 ? 14.986 -16.971 38.952 1.00 17.61 ? 50 GLU A CA 1 ATOM 370 C C . GLU A 1 50 ? 14.537 -15.955 39.996 1.00 17.25 ? 50 GLU A C 1 ATOM 371 O O . GLU A 1 50 ? 14.656 -14.742 39.819 1.00 18.30 ? 50 GLU A O 1 ATOM 372 C CB . GLU A 1 50 ? 16.404 -16.688 38.421 1.00 16.95 ? 50 GLU A CB 1 ATOM 373 C CG . GLU A 1 50 ? 17.021 -17.945 37.790 1.00 19.26 ? 50 GLU A CG 1 ATOM 374 C CD . GLU A 1 50 ? 18.431 -17.761 37.260 1.00 19.39 ? 50 GLU A CD 1 ATOM 375 O OE1 . GLU A 1 50 ? 19.194 -16.946 37.817 1.00 19.11 ? 50 GLU A OE1 1 ATOM 376 O OE2 . GLU A 1 50 ? 18.782 -18.463 36.287 1.00 22.52 ? 50 GLU A OE2 1 ATOM 377 N N . TYR A 1 51 ? 13.971 -16.488 41.070 1.00 17.27 ? 51 TYR A N 1 ATOM 378 C CA . TYR A 1 51 ? 13.475 -15.698 42.178 1.00 16.50 ? 51 TYR A CA 1 ATOM 379 C C . TYR A 1 51 ? 14.242 -16.089 43.423 1.00 16.95 ? 51 TYR A C 1 ATOM 380 O O . TYR A 1 51 ? 14.785 -17.182 43.510 1.00 16.02 ? 51 TYR A O 1 ATOM 381 C CB . TYR A 1 51 ? 11.991 -15.971 42.416 1.00 16.04 ? 51 TYR A CB 1 ATOM 382 C CG . TYR A 1 51 ? 11.070 -15.450 41.343 1.00 14.92 ? 51 TYR A CG 1 ATOM 383 C CD1 . TYR A 1 51 ? 10.352 -16.326 40.532 1.00 15.86 ? 51 TYR A CD1 1 ATOM 384 C CD2 . TYR A 1 51 ? 10.881 -14.083 41.168 1.00 15.08 ? 51 TYR A CD2 1 ATOM 385 C CE1 . TYR A 1 51 ? 9.463 -15.856 39.575 1.00 15.26 ? 51 TYR A CE1 1 ATOM 386 C CE2 . TYR A 1 51 ? 9.994 -13.600 40.213 1.00 15.62 ? 51 TYR A CE2 1 ATOM 387 C CZ . TYR A 1 51 ? 9.286 -14.490 39.423 1.00 15.15 ? 51 TYR A CZ 1 ATOM 388 O OH . TYR A 1 51 ? 8.387 -14.016 38.499 1.00 14.26 ? 51 TYR A OH 1 ATOM 389 N N . GLU A 1 52 ? 14.258 -15.184 44.389 1.00 18.98 ? 52 GLU A N 1 ATOM 390 C CA . GLU A 1 52 ? 14.947 -15.380 45.655 1.00 20.71 ? 52 GLU A CA 1 ATOM 391 C C . GLU A 1 52 ? 14.469 -16.617 46.431 1.00 20.93 ? 52 GLU A C 1 ATOM 392 O O . GLU A 1 52 ? 15.263 -17.288 47.083 1.00 20.84 ? 52 GLU A O 1 ATOM 393 C CB . GLU A 1 52 ? 14.750 -14.126 46.501 1.00 20.68 ? 52 GLU A CB 1 ATOM 394 C CG . GLU A 1 52 ? 15.593 -14.040 47.742 1.00 20.66 ? 52 GLU A CG 1 ATOM 395 C CD . GLU A 1 52 ? 15.205 -12.840 48.577 1.00 19.41 ? 52 GLU A CD 1 ATOM 396 O OE1 . GLU A 1 52 ? 14.098 -12.853 49.149 1.00 18.26 ? 52 GLU A OE1 1 ATOM 397 O OE2 . GLU A 1 52 ? 15.998 -11.880 48.644 1.00 18.20 ? 52 GLU A OE2 1 ATOM 398 N N . ASP A 1 53 ? 13.174 -16.910 46.373 1.00 21.52 ? 53 ASP A N 1 ATOM 399 C CA . ASP A 1 53 ? 12.630 -18.065 47.083 1.00 22.87 ? 53 ASP A CA 1 ATOM 400 C C . ASP A 1 53 ? 12.160 -19.133 46.093 1.00 23.47 ? 53 ASP A C 1 ATOM 401 O O . ASP A 1 53 ? 11.352 -20.004 46.430 1.00 23.00 ? 53 ASP A O 1 ATOM 402 C CB . ASP A 1 53 ? 11.469 -17.628 47.980 1.00 21.54 ? 53 ASP A CB 1 ATOM 403 C CG . ASP A 1 53 ? 10.304 -17.064 47.191 1.00 22.42 ? 53 ASP A CG 1 ATOM 404 O OD1 . ASP A 1 53 ? 10.445 -16.871 45.968 1.00 22.70 ? 53 ASP A OD1 1 ATOM 405 O OD2 . ASP A 1 53 ? 9.244 -16.804 47.792 1.00 21.48 ? 53 ASP A OD2 1 ATOM 406 N N . GLY A 1 54 ? 12.677 -19.046 44.870 1.00 23.67 ? 54 GLY A N 1 ATOM 407 C CA . GLY A 1 54 ? 12.328 -19.988 43.826 1.00 24.25 ? 54 GLY A CA 1 ATOM 408 C C . GLY A 1 54 ? 10.944 -19.812 43.226 1.00 25.61 ? 54 GLY A C 1 ATOM 409 O O . GLY A 1 54 ? 10.702 -20.295 42.122 1.00 26.74 ? 54 GLY A O 1 ATOM 410 N N . LEU A 1 55 ? 10.050 -19.104 43.921 1.00 25.62 ? 55 LEU A N 1 ATOM 411 C CA . LEU A 1 55 ? 8.668 -18.925 43.451 1.00 26.93 ? 55 LEU A CA 1 ATOM 412 C C . LEU A 1 55 ? 8.152 -17.547 43.049 1.00 25.08 ? 55 LEU A C 1 ATOM 413 O O . LEU A 1 55 ? 7.483 -17.414 42.026 1.00 24.94 ? 55 LEU A O 1 ATOM 414 C CB . LEU A 1 55 ? 7.676 -19.420 44.508 1.00 27.85 ? 55 LEU A CB 1 ATOM 415 C CG . LEU A 1 55 ? 7.701 -20.797 45.168 1.00 31.14 ? 55 LEU A CG 1 ATOM 416 C CD1 . LEU A 1 55 ? 6.745 -20.782 46.364 1.00 31.23 ? 55 LEU A CD1 1 ATOM 417 C CD2 . LEU A 1 55 ? 7.299 -21.866 44.185 1.00 29.23 ? 55 LEU A CD2 1 ATOM 418 N N . ALA A 1 56 ? 8.431 -16.526 43.850 1.00 23.34 ? 56 ALA A N 1 ATOM 419 C CA . ALA A 1 56 ? 7.844 -15.226 43.563 1.00 22.59 ? 56 ALA A CA 1 ATOM 420 C C . ALA A 1 56 ? 8.600 -13.986 43.996 1.00 21.11 ? 56 ALA A C 1 ATOM 421 O O . ALA A 1 56 ? 8.376 -12.910 43.448 1.00 20.26 ? 56 ALA A O 1 ATOM 422 C CB . ALA A 1 56 ? 6.450 -15.194 44.188 1.00 22.91 ? 56 ALA A CB 1 ATOM 423 N N . LEU A 1 57 ? 9.463 -14.134 44.994 1.00 20.26 ? 57 LEU A N 1 ATOM 424 C CA . LEU A 1 57 ? 10.226 -13.023 45.548 1.00 20.79 ? 57 LEU A CA 1 ATOM 425 C C . LEU A 1 57 ? 11.427 -12.652 44.706 1.00 20.27 ? 57 LEU A C 1 ATOM 426 O O . LEU A 1 57 ? 12.249 -13.501 44.356 1.00 19.99 ? 57 LEU A O 1 ATOM 427 C CB . LEU A 1 57 ? 10.663 -13.370 46.969 1.00 23.25 ? 57 LEU A CB 1 ATOM 428 C CG . LEU A 1 57 ? 9.908 -12.783 48.172 1.00 24.98 ? 57 LEU A CG 1 ATOM 429 C CD1 . LEU A 1 57 ? 8.510 -12.300 47.813 1.00 25.46 ? 57 LEU A CD1 1 ATOM 430 C CD2 . LEU A 1 57 ? 9.859 -13.845 49.253 1.00 25.47 ? 57 LEU A CD2 1 ATOM 431 N N . PRO A 1 58 ? 11.565 -11.360 44.395 1.00 19.12 ? 58 PRO A N 1 ATOM 432 C CA . PRO A 1 58 ? 12.697 -10.942 43.571 1.00 18.53 ? 58 PRO A CA 1 ATOM 433 C C . PRO A 1 58 ? 14.016 -10.892 44.324 1.00 19.40 ? 58 PRO A C 1 ATOM 434 O O . PRO A 1 58 ? 14.044 -10.705 45.544 1.00 19.25 ? 58 PRO A O 1 ATOM 435 C CB . PRO A 1 58 ? 12.251 -9.572 43.063 1.00 17.65 ? 58 PRO A CB 1 ATOM 436 C CG . PRO A 1 58 ? 11.498 -9.010 44.232 1.00 18.79 ? 58 PRO A CG 1 ATOM 437 C CD . PRO A 1 58 ? 10.769 -10.203 44.854 1.00 17.89 ? 58 PRO A CD 1 ATOM 438 N N . PHE A 1 59 ? 15.113 -11.097 43.605 1.00 19.77 ? 59 PHE A N 1 ATOM 439 C CA . PHE A 1 59 ? 16.409 -11.002 44.242 1.00 20.03 ? 59 PHE A CA 1 ATOM 440 C C . PHE A 1 59 ? 16.522 -9.548 44.698 1.00 21.63 ? 59 PHE A C 1 ATOM 441 O O . PHE A 1 59 ? 16.158 -8.622 43.968 1.00 19.33 ? 59 PHE A O 1 ATOM 442 C CB . PHE A 1 59 ? 17.527 -11.389 43.269 1.00 18.84 ? 59 PHE A CB 1 ATOM 443 C CG . PHE A 1 59 ? 17.774 -12.873 43.204 1.00 19.54 ? 59 PHE A CG 1 ATOM 444 C CD1 . PHE A 1 59 ? 17.374 -13.622 42.096 1.00 20.31 ? 59 PHE A CD1 1 ATOM 445 C CD2 . PHE A 1 59 ? 18.380 -13.533 44.274 1.00 19.86 ? 59 PHE A CD2 1 ATOM 446 C CE1 . PHE A 1 59 ? 17.574 -15.007 42.054 1.00 18.28 ? 59 PHE A CE1 1 ATOM 447 C CE2 . PHE A 1 59 ? 18.586 -14.923 44.246 1.00 19.66 ? 59 PHE A CE2 1 ATOM 448 C CZ . PHE A 1 59 ? 18.182 -15.659 43.134 1.00 20.07 ? 59 PHE A CZ 1 ATOM 449 N N . GLY A 1 60 ? 16.981 -9.359 45.930 1.00 24.21 ? 60 GLY A N 1 ATOM 450 C CA . GLY A 1 60 ? 17.106 -8.022 46.475 1.00 25.52 ? 60 GLY A CA 1 ATOM 451 C C . GLY A 1 60 ? 15.975 -7.726 47.439 1.00 26.24 ? 60 GLY A C 1 ATOM 452 O O . GLY A 1 60 ? 15.975 -6.696 48.103 1.00 28.10 ? 60 GLY A O 1 ATOM 453 N N . TRP A 1 61 ? 15.005 -8.629 47.518 1.00 25.97 ? 61 TRP A N 1 ATOM 454 C CA . TRP A 1 61 ? 13.875 -8.444 48.418 1.00 27.21 ? 61 TRP A CA 1 ATOM 455 C C . TRP A 1 61 ? 14.322 -8.601 49.868 1.00 29.19 ? 61 TRP A C 1 ATOM 456 O O . TRP A 1 61 ? 14.041 -7.757 50.713 1.00 26.92 ? 61 TRP A O 1 ATOM 457 C CB . TRP A 1 61 ? 12.783 -9.470 48.104 1.00 25.69 ? 61 TRP A CB 1 ATOM 458 C CG . TRP A 1 61 ? 11.561 -9.368 48.965 1.00 25.00 ? 61 TRP A CG 1 ATOM 459 C CD1 . TRP A 1 61 ? 11.339 -10.000 50.151 1.00 24.76 ? 61 TRP A CD1 1 ATOM 460 C CD2 . TRP A 1 61 ? 10.386 -8.595 48.696 1.00 24.26 ? 61 TRP A CD2 1 ATOM 461 N NE1 . TRP A 1 61 ? 10.096 -9.676 50.636 1.00 24.11 ? 61 TRP A NE1 1 ATOM 462 C CE2 . TRP A 1 61 ? 9.487 -8.817 49.761 1.00 23.99 ? 61 TRP A CE2 1 ATOM 463 C CE3 . TRP A 1 61 ? 10.001 -7.741 47.654 1.00 23.75 ? 61 TRP A CE3 1 ATOM 464 C CZ2 . TRP A 1 61 ? 8.230 -8.212 49.821 1.00 23.15 ? 61 TRP A CZ2 1 ATOM 465 C CZ3 . TRP A 1 61 ? 8.748 -7.137 47.714 1.00 23.36 ? 61 TRP A CZ3 1 ATOM 466 C CH2 . TRP A 1 61 ? 7.878 -7.380 48.790 1.00 23.58 ? 61 TRP A CH2 1 ATOM 467 N N . THR A 1 62 ? 15.021 -9.689 50.153 1.00 31.67 ? 62 THR A N 1 ATOM 468 C CA . THR A 1 62 ? 15.490 -9.946 51.503 1.00 34.68 ? 62 THR A CA 1 ATOM 469 C C . THR A 1 62 ? 16.953 -9.532 51.626 1.00 38.38 ? 62 THR A C 1 ATOM 470 O O . THR A 1 62 ? 17.849 -10.236 51.168 1.00 37.15 ? 62 THR A O 1 ATOM 471 C CB . THR A 1 62 ? 15.355 -11.427 51.841 1.00 34.36 ? 62 THR A CB 1 ATOM 472 O OG1 . THR A 1 62 ? 14.025 -11.859 51.527 1.00 34.02 ? 62 THR A OG1 1 ATOM 473 C CG2 . THR A 1 62 ? 15.625 -11.662 53.315 1.00 34.15 ? 62 THR A CG2 1 ATOM 474 N N . GLN A 1 63 ? 17.186 -8.367 52.219 1.00 43.24 ? 63 GLN A N 1 ATOM 475 C CA . GLN A 1 63 ? 18.538 -7.881 52.407 1.00 47.24 ? 63 GLN A CA 1 ATOM 476 C C . GLN A 1 63 ? 19.184 -8.820 53.425 1.00 48.32 ? 63 GLN A C 1 ATOM 477 O O . GLN A 1 63 ? 19.609 -8.394 54.493 1.00 51.01 ? 63 GLN A O 1 ATOM 478 C CB . GLN A 1 63 ? 18.506 -6.436 52.935 1.00 48.90 ? 63 GLN A CB 1 ATOM 479 C CG . GLN A 1 63 ? 17.836 -5.409 52.049 1.00 52.74 ? 63 GLN A CG 1 ATOM 480 C CD . GLN A 1 63 ? 16.339 -5.431 52.121 1.00 53.64 ? 63 GLN A CD 1 ATOM 481 O OE1 . GLN A 1 63 ? 15.721 -5.685 53.179 1.00 54.57 ? 63 GLN A OE1 1 ATOM 482 N NE2 . GLN A 1 63 ? 15.725 -5.128 50.974 1.00 54.36 ? 63 GLN A NE2 1 ATOM 483 N N . ARG A 1 64 ? 19.209 -10.105 53.089 1.00 47.18 ? 64 ARG A N 1 ATOM 484 C CA . ARG A 1 64 ? 19.763 -11.128 53.954 1.00 46.27 ? 64 ARG A CA 1 ATOM 485 C C . ARG A 1 64 ? 20.075 -12.379 53.120 1.00 44.22 ? 64 ARG A C 1 ATOM 486 O O . ARG A 1 64 ? 20.743 -13.288 53.593 1.00 44.87 ? 64 ARG A O 1 ATOM 487 C CB . ARG A 1 64 ? 18.747 -11.484 55.041 1.00 48.52 ? 64 ARG A CB 1 ATOM 488 C CG . ARG A 1 64 ? 18.529 -12.970 55.216 1.00 50.96 ? 64 ARG A CG 1 ATOM 489 C CD . ARG A 1 64 ? 17.308 -13.249 56.054 1.00 55.12 ? 64 ARG A CD 1 ATOM 490 N NE . ARG A 1 64 ? 17.172 -14.660 56.431 1.00 57.64 ? 64 ARG A NE 1 ATOM 491 C CZ . ARG A 1 64 ? 16.625 -15.616 55.676 1.00 60.20 ? 64 ARG A CZ 1 ATOM 492 N NH1 . ARG A 1 64 ? 16.143 -15.337 54.468 1.00 61.22 ? 64 ARG A NH1 1 ATOM 493 N NH2 . ARG A 1 64 ? 16.542 -16.861 56.141 1.00 61.34 ? 64 ARG A NH2 1 ATOM 494 N N . LYS A 1 65 ? 19.562 -12.441 51.896 1.00 40.41 ? 65 LYS A N 1 ATOM 495 C CA . LYS A 1 65 ? 19.809 -13.578 51.024 1.00 36.88 ? 65 LYS A CA 1 ATOM 496 C C . LYS A 1 65 ? 20.601 -13.000 49.878 1.00 33.54 ? 65 LYS A C 1 ATOM 497 O O . LYS A 1 65 ? 20.311 -11.900 49.408 1.00 33.45 ? 65 LYS A O 1 ATOM 498 C CB . LYS A 1 65 ? 18.497 -14.205 50.534 1.00 38.20 ? 65 LYS A CB 1 ATOM 499 C CG . LYS A 1 65 ? 17.697 -14.928 51.619 1.00 40.20 ? 65 LYS A CG 1 ATOM 500 C CD . LYS A 1 65 ? 16.965 -16.106 50.995 1.00 43.46 ? 65 LYS A CD 1 ATOM 501 C CE . LYS A 1 65 ? 15.608 -16.352 51.632 1.00 44.92 ? 65 LYS A CE 1 ATOM 502 N NZ . LYS A 1 65 ? 14.754 -17.240 50.779 1.00 43.43 ? 65 LYS A NZ 1 ATOM 503 N N . THR A 1 66 ? 21.628 -13.727 49.463 1.00 29.31 ? 66 THR A N 1 ATOM 504 C CA . THR A 1 66 ? 22.502 -13.282 48.392 1.00 26.20 ? 66 THR A CA 1 ATOM 505 C C . THR A 1 66 ? 22.159 -13.977 47.080 1.00 25.29 ? 66 THR A C 1 ATOM 506 O O . THR A 1 66 ? 21.351 -14.902 47.043 1.00 23.85 ? 66 THR A O 1 ATOM 507 C CB . THR A 1 66 ? 23.966 -13.640 48.699 1.00 26.67 ? 66 THR A CB 1 ATOM 508 O OG1 . THR A 1 66 ? 24.124 -15.059 48.582 1.00 23.70 ? 66 THR A OG1 1 ATOM 509 C CG2 . THR A 1 66 ? 24.353 -13.229 50.119 1.00 24.32 ? 66 THR A CG2 1 ATOM 510 N N . ARG A 1 67 ? 22.779 -13.519 45.998 1.00 23.13 ? 67 ARG A N 1 ATOM 511 C CA . ARG A 1 67 ? 22.597 -14.152 44.704 1.00 20.67 ? 67 ARG A CA 1 ATOM 512 C C . ARG A 1 67 ? 23.982 -14.683 44.366 1.00 19.47 ? 67 ARG A C 1 ATOM 513 O O . ARG A 1 67 ? 24.910 -13.909 44.151 1.00 18.88 ? 67 ARG A O 1 ATOM 514 C CB . ARG A 1 67 ? 22.145 -13.157 43.628 1.00 21.16 ? 67 ARG A CB 1 ATOM 515 C CG . ARG A 1 67 ? 21.758 -13.858 42.331 1.00 19.91 ? 67 ARG A CG 1 ATOM 516 C CD . ARG A 1 67 ? 21.394 -12.912 41.199 1.00 20.13 ? 67 ARG A CD 1 ATOM 517 N NE . ARG A 1 67 ? 20.708 -13.642 40.136 1.00 21.27 ? 67 ARG A NE 1 ATOM 518 C CZ . ARG A 1 67 ? 19.790 -13.111 39.336 1.00 20.80 ? 67 ARG A CZ 1 ATOM 519 N NH1 . ARG A 1 67 ? 19.451 -11.836 39.472 1.00 18.38 ? 67 ARG A NH1 1 ATOM 520 N NH2 . ARG A 1 67 ? 19.188 -13.864 38.423 1.00 19.13 ? 67 ARG A NH2 1 ATOM 521 N N . ASN A 1 68 ? 24.123 -16.003 44.339 1.00 18.28 ? 68 ASN A N 1 ATOM 522 C CA . ASN A 1 68 ? 25.405 -16.640 44.050 1.00 18.05 ? 68 ASN A CA 1 ATOM 523 C C . ASN A 1 68 ? 26.507 -16.256 45.038 1.00 18.39 ? 68 ASN A C 1 ATOM 524 O O . ASN A 1 68 ? 27.690 -16.211 44.688 1.00 18.58 ? 68 ASN A O 1 ATOM 525 C CB . ASN A 1 68 ? 25.856 -16.314 42.627 1.00 19.52 ? 68 ASN A CB 1 ATOM 526 C CG . ASN A 1 68 ? 24.938 -16.906 41.580 1.00 20.95 ? 68 ASN A CG 1 ATOM 527 O OD1 . ASN A 1 68 ? 24.588 -18.085 41.644 1.00 22.41 ? 68 ASN A OD1 1 ATOM 528 N ND2 . ASN A 1 68 ? 24.549 -16.094 40.603 1.00 19.12 ? 68 ASN A ND2 1 ATOM 529 N N . GLY A 1 69 ? 26.112 -15.973 46.273 1.00 17.49 ? 69 GLY A N 1 ATOM 530 C CA . GLY A 1 69 ? 27.083 -15.619 47.288 1.00 18.88 ? 69 GLY A CA 1 ATOM 531 C C . GLY A 1 69 ? 27.292 -14.134 47.503 1.00 18.77 ? 69 GLY A C 1 ATOM 532 O O . GLY A 1 69 ? 27.997 -13.748 48.423 1.00 18.67 ? 69 GLY A O 1 ATOM 533 N N . PHE A 1 70 ? 26.682 -13.297 46.671 1.00 20.06 ? 70 PHE A N 1 ATOM 534 C CA . PHE A 1 70 ? 26.845 -11.851 46.809 1.00 21.10 ? 70 PHE A CA 1 ATOM 535 C C . PHE A 1 70 ? 25.536 -11.092 46.862 1.00 20.84 ? 70 PHE A C 1 ATOM 536 O O . PHE A 1 70 ? 24.540 -11.520 46.290 1.00 21.76 ? 70 PHE A O 1 ATOM 537 C CB . PHE A 1 70 ? 27.661 -11.286 45.646 1.00 21.57 ? 70 PHE A CB 1 ATOM 538 C CG . PHE A 1 70 ? 29.019 -11.880 45.518 1.00 23.27 ? 70 PHE A CG 1 ATOM 539 C CD1 . PHE A 1 70 ? 29.253 -12.922 44.628 1.00 22.02 ? 70 PHE A CD1 1 ATOM 540 C CD2 . PHE A 1 70 ? 30.072 -11.404 46.297 1.00 23.38 ? 70 PHE A CD2 1 ATOM 541 C CE1 . PHE A 1 70 ? 30.514 -13.478 44.516 1.00 24.53 ? 70 PHE A CE1 1 ATOM 542 C CE2 . PHE A 1 70 ? 31.342 -11.954 46.193 1.00 23.16 ? 70 PHE A CE2 1 ATOM 543 C CZ . PHE A 1 70 ? 31.567 -12.992 45.304 1.00 23.93 ? 70 PHE A CZ 1 ATOM 544 N N . ARG A 1 71 ? 25.544 -9.962 47.561 1.00 21.62 ? 71 ARG A N 1 ATOM 545 C CA . ARG A 1 71 ? 24.371 -9.104 47.627 1.00 22.98 ? 71 ARG A CA 1 ATOM 546 C C . ARG A 1 71 ? 24.238 -8.431 46.254 1.00 20.41 ? 71 ARG A C 1 ATOM 547 O O . ARG A 1 71 ? 25.238 -8.070 45.637 1.00 17.94 ? 71 ARG A O 1 ATOM 548 C CB . ARG A 1 71 ? 24.557 -8.033 48.709 1.00 26.63 ? 71 ARG A CB 1 ATOM 549 C CG . ARG A 1 71 ? 24.218 -8.507 50.106 1.00 32.96 ? 71 ARG A CG 1 ATOM 550 C CD . ARG A 1 71 ? 24.880 -7.645 51.169 1.00 38.52 ? 71 ARG A CD 1 ATOM 551 N NE . ARG A 1 71 ? 24.516 -8.097 52.509 1.00 43.84 ? 71 ARG A NE 1 ATOM 552 C CZ . ARG A 1 71 ? 23.685 -7.449 53.320 1.00 45.43 ? 71 ARG A CZ 1 ATOM 553 N NH1 . ARG A 1 71 ? 23.132 -6.305 52.932 1.00 46.40 ? 71 ARG A NH1 1 ATOM 554 N NH2 . ARG A 1 71 ? 23.391 -7.953 54.512 1.00 46.21 ? 71 ARG A NH2 1 ATOM 555 N N . VAL A 1 72 ? 23.015 -8.291 45.757 1.00 19.64 ? 72 VAL A N 1 ATOM 556 C CA . VAL A 1 72 ? 22.833 -7.631 44.474 1.00 18.88 ? 72 VAL A CA 1 ATOM 557 C C . VAL A 1 72 ? 22.869 -6.132 44.746 1.00 18.00 ? 72 VAL A C 1 ATOM 558 O O . VAL A 1 72 ? 22.324 -5.666 45.738 1.00 17.89 ? 72 VAL A O 1 ATOM 559 C CB . VAL A 1 72 ? 21.485 -8.004 43.799 1.00 19.00 ? 72 VAL A CB 1 ATOM 560 C CG1 . VAL A 1 72 ? 21.439 -9.492 43.526 1.00 20.73 ? 72 VAL A CG1 1 ATOM 561 C CG2 . VAL A 1 72 ? 20.319 -7.566 44.658 1.00 19.38 ? 72 VAL A CG2 1 ATOM 562 N N . PRO A 1 73 ? 23.535 -5.357 43.881 1.00 17.93 ? 73 PRO A N 1 ATOM 563 C CA . PRO A 1 73 ? 23.592 -3.912 44.114 1.00 16.49 ? 73 PRO A CA 1 ATOM 564 C C . PRO A 1 73 ? 22.255 -3.206 43.880 1.00 17.65 ? 73 PRO A C 1 ATOM 565 O O . PRO A 1 73 ? 21.414 -3.667 43.102 1.00 16.77 ? 73 PRO A O 1 ATOM 566 C CB . PRO A 1 73 ? 24.673 -3.457 43.140 1.00 16.86 ? 73 PRO A CB 1 ATOM 567 C CG . PRO A 1 73 ? 24.476 -4.391 41.980 1.00 17.30 ? 73 PRO A CG 1 ATOM 568 C CD . PRO A 1 73 ? 24.293 -5.730 42.672 1.00 17.68 ? 73 PRO A CD 1 ATOM 569 N N . LEU A 1 74 ? 22.069 -2.090 44.576 1.00 17.90 ? 74 LEU A N 1 ATOM 570 C CA . LEU A 1 74 ? 20.860 -1.284 44.463 1.00 17.09 ? 74 LEU A CA 1 ATOM 571 C C . LEU A 1 74 ? 20.665 -0.821 43.019 1.00 16.36 ? 74 LEU A C 1 ATOM 572 O O . LEU A 1 74 ? 21.612 -0.378 42.365 1.00 16.45 ? 74 LEU A O 1 ATOM 573 C CB . LEU A 1 74 ? 20.965 -0.058 45.387 1.00 19.04 ? 74 LEU A CB 1 ATOM 574 C CG . LEU A 1 74 ? 20.837 -0.212 46.914 1.00 20.25 ? 74 LEU A CG 1 ATOM 575 C CD1 . LEU A 1 74 ? 21.146 1.124 47.604 1.00 22.66 ? 74 LEU A CD1 1 ATOM 576 C CD2 . LEU A 1 74 ? 19.426 -0.657 47.264 1.00 20.33 ? 74 LEU A CD2 1 ATOM 577 N N . ALA A 1 75 ? 19.435 -0.913 42.528 1.00 14.34 ? 75 ALA A N 1 ATOM 578 C CA . ALA A 1 75 ? 19.118 -0.504 41.162 1.00 13.91 ? 75 ALA A CA 1 ATOM 579 C C . ALA A 1 75 ? 19.560 0.927 40.861 1.00 14.32 ? 75 ALA A C 1 ATOM 580 O O . ALA A 1 75 ? 20.138 1.202 39.808 1.00 14.03 ? 75 ALA A O 1 ATOM 581 C CB . ALA A 1 75 ? 17.611 -0.643 40.910 1.00 11.88 ? 75 ALA A CB 1 ATOM 582 N N . ARG A 1 76 ? 19.285 1.828 41.797 1.00 14.90 ? 76 ARG A N 1 ATOM 583 C CA . ARG A 1 76 ? 19.617 3.238 41.646 1.00 16.31 ? 76 ARG A CA 1 ATOM 584 C C . ARG A 1 76 ? 21.129 3.504 41.733 1.00 17.35 ? 76 ARG A C 1 ATOM 585 O O . ARG A 1 76 ? 21.631 4.453 41.118 1.00 18.13 ? 76 ARG A O 1 ATOM 586 C CB . ARG A 1 76 ? 18.832 4.049 42.689 1.00 15.51 ? 76 ARG A CB 1 ATOM 587 C CG . ARG A 1 76 ? 19.170 5.533 42.790 1.00 16.23 ? 76 ARG A CG 1 ATOM 588 C CD . ARG A 1 76 ? 18.837 6.353 41.534 1.00 16.41 ? 76 ARG A CD 1 ATOM 589 N NE . ARG A 1 76 ? 19.151 7.757 41.785 1.00 14.71 ? 76 ARG A NE 1 ATOM 590 C CZ . ARG A 1 76 ? 19.065 8.740 40.894 1.00 16.67 ? 76 ARG A CZ 1 ATOM 591 N NH1 . ARG A 1 76 ? 18.668 8.499 39.651 1.00 15.50 ? 76 ARG A NH1 1 ATOM 592 N NH2 . ARG A 1 76 ? 19.387 9.977 41.252 1.00 14.22 ? 76 ARG A NH2 1 ATOM 593 N N . GLU A 1 77 ? 21.860 2.664 42.469 1.00 17.65 ? 77 GLU A N 1 ATOM 594 C CA . GLU A 1 77 ? 23.309 2.852 42.570 1.00 19.33 ? 77 GLU A CA 1 ATOM 595 C C . GLU A 1 77 ? 23.980 2.456 41.257 1.00 17.89 ? 77 GLU A C 1 ATOM 596 O O . GLU A 1 77 ? 24.920 3.110 40.824 1.00 18.72 ? 77 GLU A O 1 ATOM 597 C CB . GLU A 1 77 ? 23.923 2.051 43.736 1.00 22.49 ? 77 GLU A CB 1 ATOM 598 C CG . GLU A 1 77 ? 25.441 2.242 43.846 1.00 27.66 ? 77 GLU A CG 1 ATOM 599 C CD . GLU A 1 77 ? 26.040 1.778 45.166 1.00 31.41 ? 77 GLU A CD 1 ATOM 600 O OE1 . GLU A 1 77 ? 25.302 1.353 46.090 1.00 33.45 ? 77 GLU A OE1 1 ATOM 601 O OE2 . GLU A 1 77 ? 27.280 1.853 45.270 1.00 33.93 ? 77 GLU A OE2 1 ATOM 602 N N . VAL A 1 78 ? 23.503 1.381 40.633 1.00 17.59 ? 78 VAL A N 1 ATOM 603 C CA . VAL A 1 78 ? 24.044 0.944 39.349 1.00 16.65 ? 78 VAL A CA 1 ATOM 604 C C . VAL A 1 78 ? 23.754 2.068 38.353 1.00 17.66 ? 78 VAL A C 1 ATOM 605 O O . VAL A 1 78 ? 24.593 2.401 37.520 1.00 17.27 ? 78 VAL A O 1 ATOM 606 C CB . VAL A 1 78 ? 23.376 -0.386 38.876 1.00 18.78 ? 78 VAL A CB 1 ATOM 607 C CG1 . VAL A 1 78 ? 23.773 -0.701 37.441 1.00 14.24 ? 78 VAL A CG1 1 ATOM 608 C CG2 . VAL A 1 78 ? 23.804 -1.540 39.803 1.00 13.58 ? 78 VAL A CG2 1 ATOM 609 N N . SER A 1 79 ? 22.572 2.672 38.467 1.00 16.63 ? 79 SER A N 1 ATOM 610 C CA . SER A 1 79 ? 22.194 3.773 37.588 1.00 16.59 ? 79 SER A CA 1 ATOM 611 C C . SER A 1 79 ? 23.160 4.958 37.719 1.00 18.00 ? 79 SER A C 1 ATOM 612 O O . SER A 1 79 ? 23.635 5.497 36.716 1.00 17.14 ? 79 SER A O 1 ATOM 613 C CB . SER A 1 79 ? 20.770 4.240 37.904 1.00 15.71 ? 79 SER A CB 1 ATOM 614 O OG . SER A 1 79 ? 20.404 5.335 37.084 1.00 14.01 ? 79 SER A OG 1 ATOM 615 N N . ASN A 1 80 ? 23.446 5.354 38.958 1.00 18.45 ? 80 ASN A N 1 ATOM 616 C CA . ASN A 1 80 ? 24.347 6.475 39.229 1.00 20.21 ? 80 ASN A CA 1 ATOM 617 C C . ASN A 1 80 ? 25.784 6.300 38.763 1.00 21.12 ? 80 ASN A C 1 ATOM 618 O O . ASN A 1 80 ? 26.381 7.227 38.229 1.00 22.22 ? 80 ASN A O 1 ATOM 619 C CB . ASN A 1 80 ? 24.403 6.784 40.732 1.00 19.15 ? 80 ASN A CB 1 ATOM 620 C CG . ASN A 1 80 ? 23.102 7.327 41.268 1.00 19.38 ? 80 ASN A CG 1 ATOM 621 O OD1 . ASN A 1 80 ? 22.235 7.737 40.502 1.00 19.83 ? 80 ASN A OD1 1 ATOM 622 N ND2 . ASN A 1 80 ? 22.960 7.347 42.592 1.00 17.93 ? 80 ASN A ND2 1 ATOM 623 N N . LYS A 1 81 ? 26.338 5.115 38.977 1.00 21.75 ? 81 LYS A N 1 ATOM 624 C CA . LYS A 1 81 ? 27.760 4.853 38.646 1.00 22.87 ? 81 LYS A CA 1 ATOM 625 C C . LYS A 1 81 ? 28.022 4.404 37.232 1.00 21.28 ? 81 LYS A C 1 ATOM 626 O O . LYS A 1 81 ? 29.125 4.555 36.705 1.00 19.63 ? 81 LYS A O 1 ATOM 627 C CB . LYS A 1 81 ? 28.328 3.820 39.634 1.00 25.37 ? 81 LYS A CB 1 ATOM 628 C CG . LYS A 1 81 ? 28.457 4.377 41.044 1.00 28.44 ? 81 LYS A CG 1 ATOM 629 C CD . LYS A 1 81 ? 28.913 3.328 42.047 1.00 31.85 ? 81 LYS A CD 1 ATOM 630 C CE . LYS A 1 81 ? 29.238 3.987 43.386 1.00 32.30 ? 81 LYS A CE 1 ATOM 631 N NZ . LYS A 1 81 ? 29.411 2.994 44.480 1.00 33.88 ? 81 LYS A NZ 1 ATOM 632 N N . ILE A 1 82 ? 26.997 3.834 36.575 1.00 21.06 ? 82 ILE A N 1 ATOM 633 C CA . ILE A 1 82 ? 27.227 3.309 35.238 1.00 20.00 ? 82 ILE A CA 1 ATOM 634 C C . ILE A 1 82 ? 26.394 3.949 34.121 1.00 19.04 ? 82 ILE A C 1 ATOM 635 O O . ILE A 1 82 ? 26.883 4.205 33.020 1.00 17.12 ? 82 ILE A O 1 ATOM 636 C CB . ILE A 1 82 ? 26.947 1.788 35.227 1.00 21.94 ? 82 ILE A CB 1 ATOM 637 C CG1 . ILE A 1 82 ? 27.730 1.113 36.352 1.00 23.57 ? 82 ILE A CG1 1 ATOM 638 C CG2 . ILE A 1 82 ? 27.298 1.189 33.871 1.00 19.88 ? 82 ILE A CG2 1 ATOM 639 C CD1 . ILE A 1 82 ? 28.577 -0.054 35.891 1.00 29.72 ? 82 ILE A CD1 1 ATOM 640 N N . VAL A 1 83 ? 25.147 4.193 34.380 1.00 17.67 ? 83 VAL A N 1 ATOM 641 C CA . VAL A 1 83 ? 24.256 4.672 33.344 1.00 16.64 ? 83 VAL A CA 1 ATOM 642 C C . VAL A 1 83 ? 24.235 6.181 33.124 1.00 16.84 ? 83 VAL A C 1 ATOM 643 O O . VAL A 1 83 ? 23.853 6.632 32.041 1.00 17.27 ? 83 VAL A O 1 ATOM 644 C CB . VAL A 1 83 ? 22.825 4.162 33.629 1.00 15.64 ? 83 VAL A CB 1 ATOM 645 C CG1 . VAL A 1 83 ? 21.907 4.518 32.472 1.00 16.52 ? 83 VAL A CG1 1 ATOM 646 C CG2 . VAL A 1 83 ? 22.809 2.660 33.886 1.00 13.09 ? 83 VAL A CG2 1 ATOM 647 N N . GLY A 1 84 ? 24.637 6.962 34.121 1.00 17.10 ? 84 GLY A N 1 ATOM 648 C CA . GLY A 1 84 ? 24.581 8.404 33.969 1.00 16.71 ? 84 GLY A CA 1 ATOM 649 C C . GLY A 1 84 ? 25.744 9.123 33.318 1.00 18.11 ? 84 GLY A C 1 ATOM 650 O O . GLY A 1 84 ? 26.842 8.583 33.184 1.00 17.57 ? 84 GLY A O 1 ATOM 651 N N . TYR A 1 85 ? 25.467 10.352 32.887 1.00 18.00 ? 85 TYR A N 1 ATOM 652 C CA . TYR A 1 85 ? 26.456 11.234 32.278 1.00 18.18 ? 85 TYR A CA 1 ATOM 653 C C . TYR A 1 85 ? 25.862 12.644 32.241 1.00 20.25 ? 85 TYR A C 1 ATOM 654 O O . TYR A 1 85 ? 24.641 12.823 32.329 1.00 18.10 ? 85 TYR A O 1 ATOM 655 C CB . TYR A 1 85 ? 26.836 10.761 30.874 1.00 16.76 ? 85 TYR A CB 1 ATOM 656 C CG . TYR A 1 85 ? 25.750 10.924 29.840 1.00 16.87 ? 85 TYR A CG 1 ATOM 657 C CD1 . TYR A 1 85 ? 25.704 12.052 29.013 1.00 15.28 ? 85 TYR A CD1 1 ATOM 658 C CD2 . TYR A 1 85 ? 24.767 9.944 29.681 1.00 14.89 ? 85 TYR A CD2 1 ATOM 659 C CE1 . TYR A 1 85 ? 24.705 12.194 28.050 1.00 14.50 ? 85 TYR A CE1 1 ATOM 660 C CE2 . TYR A 1 85 ? 23.767 10.075 28.727 1.00 13.64 ? 85 TYR A CE2 1 ATOM 661 C CZ . TYR A 1 85 ? 23.741 11.199 27.917 1.00 14.34 ? 85 TYR A CZ 1 ATOM 662 O OH . TYR A 1 85 ? 22.744 11.325 26.984 1.00 13.07 ? 85 TYR A OH 1 ATOM 663 N N . LEU A 1 86 ? 26.730 13.640 32.106 1.00 21.81 ? 86 LEU A N 1 ATOM 664 C CA . LEU A 1 86 ? 26.301 15.029 32.109 1.00 24.54 ? 86 LEU A CA 1 ATOM 665 C C . LEU A 1 86 ? 26.366 15.737 30.767 1.00 23.99 ? 86 LEU A C 1 ATOM 666 O O . LEU A 1 86 ? 25.502 16.544 30.446 1.00 24.77 ? 86 LEU A O 1 ATOM 667 C CB . LEU A 1 86 ? 27.151 15.830 33.105 1.00 25.33 ? 86 LEU A CB 1 ATOM 668 C CG . LEU A 1 86 ? 27.206 15.370 34.562 1.00 27.24 ? 86 LEU A CG 1 ATOM 669 C CD1 . LEU A 1 86 ? 27.980 16.394 35.395 1.00 27.55 ? 86 LEU A CD1 1 ATOM 670 C CD2 . LEU A 1 86 ? 25.784 15.207 35.102 1.00 28.17 ? 86 LEU A CD2 1 ATOM 671 N N . ASP A 1 87 ? 27.392 15.429 29.986 1.00 24.86 ? 87 ASP A N 1 ATOM 672 C CA . ASP A 1 87 ? 27.615 16.107 28.715 1.00 25.61 ? 87 ASP A CA 1 ATOM 673 C C . ASP A 1 87 ? 26.889 15.533 27.499 1.00 23.85 ? 87 ASP A C 1 ATOM 674 O O . ASP A 1 87 ? 27.236 14.460 27.021 1.00 22.93 ? 87 ASP A O 1 ATOM 675 C CB . ASP A 1 87 ? 29.126 16.159 28.468 1.00 27.04 ? 87 ASP A CB 1 ATOM 676 C CG . ASP A 1 87 ? 29.500 17.044 27.305 1.00 28.95 ? 87 ASP A CG 1 ATOM 677 O OD1 . ASP A 1 87 ? 28.639 17.822 26.836 1.00 28.62 ? 87 ASP A OD1 1 ATOM 678 O OD2 . ASP A 1 87 ? 30.668 16.967 26.869 1.00 32.11 ? 87 ASP A OD2 1 ATOM 679 N N . GLU A 1 88 ? 25.895 16.265 26.992 1.00 23.54 ? 88 GLU A N 1 ATOM 680 C CA . GLU A 1 88 ? 25.123 15.813 25.830 1.00 23.78 ? 88 GLU A CA 1 ATOM 681 C C . GLU A 1 88 ? 25.817 16.087 24.490 1.00 24.59 ? 88 GLU A C 1 ATOM 682 O O . GLU A 1 88 ? 25.349 15.621 23.454 1.00 26.62 ? 88 GLU A O 1 ATOM 683 C CB . GLU A 1 88 ? 23.722 16.449 25.812 1.00 20.81 ? 88 GLU A CB 1 ATOM 684 C CG . GLU A 1 88 ? 22.800 16.092 26.991 1.00 20.53 ? 88 GLU A CG 1 ATOM 685 C CD . GLU A 1 88 ? 22.367 14.628 27.019 1.00 20.49 ? 88 GLU A CD 1 ATOM 686 O OE1 . GLU A 1 88 ? 22.547 13.917 26.006 1.00 20.02 ? 88 GLU A OE1 1 ATOM 687 O OE2 . GLU A 1 88 ? 21.832 14.189 28.058 1.00 19.61 ? 88 GLU A OE2 1 ATOM 688 N N . GLU A 1 89 ? 26.922 16.832 24.499 1.00 26.66 ? 89 GLU A N 1 ATOM 689 C CA . GLU A 1 89 ? 27.650 17.106 23.256 1.00 29.15 ? 89 GLU A CA 1 ATOM 690 C C . GLU A 1 89 ? 28.226 15.822 22.643 1.00 26.71 ? 89 GLU A C 1 ATOM 691 O O . GLU A 1 89 ? 28.815 15.005 23.349 1.00 26.02 ? 89 GLU A O 1 ATOM 692 C CB . GLU A 1 89 ? 28.811 18.103 23.484 1.00 32.83 ? 89 GLU A CB 1 ATOM 693 C CG . GLU A 1 89 ? 29.843 18.093 22.332 1.00 41.56 ? 89 GLU A CG 1 ATOM 694 C CD . GLU A 1 89 ? 31.035 19.030 22.530 1.00 46.00 ? 89 GLU A CD 1 ATOM 695 O OE1 . GLU A 1 89 ? 31.878 18.766 23.423 1.00 48.81 ? 89 GLU A OE1 1 ATOM 696 O OE2 . GLU A 1 89 ? 31.127 20.029 21.776 1.00 48.06 ? 89 GLU A OE2 1 ATOM 697 N N . GLY A 1 90 ? 28.036 15.655 21.333 1.00 26.25 ? 90 GLY A N 1 ATOM 698 C CA . GLY A 1 90 ? 28.574 14.511 20.601 1.00 24.87 ? 90 GLY A CA 1 ATOM 699 C C . GLY A 1 90 ? 27.908 13.164 20.788 1.00 24.71 ? 90 GLY A C 1 ATOM 700 O O . GLY A 1 90 ? 28.403 12.144 20.303 1.00 24.05 ? 90 GLY A O 1 ATOM 701 N N . VAL A 1 91 ? 26.760 13.166 21.452 1.00 23.84 ? 91 VAL A N 1 ATOM 702 C CA . VAL A 1 91 ? 26.041 11.945 21.772 1.00 21.48 ? 91 VAL A CA 1 ATOM 703 C C . VAL A 1 91 ? 25.076 11.438 20.683 1.00 21.75 ? 91 VAL A C 1 ATOM 704 O O . VAL A 1 91 ? 24.649 10.284 20.720 1.00 22.75 ? 91 VAL A O 1 ATOM 705 C CB . VAL A 1 91 ? 25.299 12.167 23.142 1.00 22.68 ? 91 VAL A CB 1 ATOM 706 C CG1 . VAL A 1 91 ? 23.835 12.479 22.918 1.00 20.24 ? 91 VAL A CG1 1 ATOM 707 C CG2 . VAL A 1 91 ? 25.503 10.977 24.065 1.00 21.33 ? 91 VAL A CG2 1 ATOM 708 N N . LEU A 1 92 ? 24.761 12.284 19.701 1.00 21.69 ? 92 LEU A N 1 ATOM 709 C CA . LEU A 1 92 ? 23.816 11.939 18.624 1.00 21.02 ? 92 LEU A CA 1 ATOM 710 C C . LEU A 1 92 ? 24.277 10.921 17.564 1.00 21.24 ? 92 LEU A C 1 ATOM 711 O O . LEU A 1 92 ? 25.459 10.865 17.208 1.00 22.40 ? 92 LEU A O 1 ATOM 712 C CB . LEU A 1 92 ? 23.350 13.222 17.913 1.00 20.31 ? 92 LEU A CB 1 ATOM 713 C CG . LEU A 1 92 ? 22.657 14.304 18.755 1.00 21.46 ? 92 LEU A CG 1 ATOM 714 C CD1 . LEU A 1 92 ? 22.276 15.471 17.859 1.00 19.37 ? 92 LEU A CD1 1 ATOM 715 C CD2 . LEU A 1 92 ? 21.414 13.741 19.446 1.00 21.47 ? 92 LEU A CD2 1 ATOM 716 N N . ASP A 1 93 ? 23.326 10.125 17.064 1.00 19.91 ? 93 ASP A N 1 ATOM 717 C CA . ASP A 1 93 ? 23.592 9.104 16.038 1.00 21.58 ? 93 ASP A CA 1 ATOM 718 C C . ASP A 1 93 ? 23.660 9.794 14.674 1.00 22.07 ? 93 ASP A C 1 ATOM 719 O O . ASP A 1 93 ? 22.670 10.359 14.198 1.00 20.88 ? 93 ASP A O 1 ATOM 720 C CB . ASP A 1 93 ? 22.477 8.047 16.017 1.00 20.23 ? 93 ASP A CB 1 ATOM 721 C CG . ASP A 1 93 ? 22.870 6.786 15.249 1.00 22.02 ? 93 ASP A CG 1 ATOM 722 O OD1 . ASP A 1 93 ? 23.628 6.878 14.264 1.00 22.61 ? 93 ASP A OD1 1 ATOM 723 O OD2 . ASP A 1 93 ? 22.407 5.687 15.619 1.00 23.81 ? 93 ASP A OD2 1 ATOM 724 N N . GLN A 1 94 ? 24.830 9.739 14.049 1.00 22.62 ? 94 GLN A N 1 ATOM 725 C CA . GLN A 1 94 ? 25.034 10.390 12.767 1.00 24.69 ? 94 GLN A CA 1 ATOM 726 C C . GLN A 1 94 ? 24.334 9.739 11.581 1.00 24.45 ? 94 GLN A C 1 ATOM 727 O O . GLN A 1 94 ? 24.241 10.346 10.512 1.00 24.67 ? 94 GLN A O 1 ATOM 728 C CB . GLN A 1 94 ? 26.533 10.536 12.507 1.00 25.35 ? 94 GLN A CB 1 ATOM 729 C CG . GLN A 1 94 ? 27.208 11.419 13.546 1.00 29.88 ? 94 GLN A CG 1 ATOM 730 C CD . GLN A 1 94 ? 26.573 12.799 13.626 1.00 32.27 ? 94 GLN A CD 1 ATOM 731 O OE1 . GLN A 1 94 ? 26.372 13.457 12.603 1.00 35.83 ? 94 GLN A OE1 1 ATOM 732 N NE2 . GLN A 1 94 ? 26.261 13.246 14.839 1.00 31.97 ? 94 GLN A NE2 1 ATOM 733 N N . ASN A 1 95 ? 23.830 8.518 11.744 1.00 23.84 ? 95 ASN A N 1 ATOM 734 C CA . ASN A 1 95 ? 23.124 7.912 10.626 1.00 24.62 ? 95 ASN A CA 1 ATOM 735 C C . ASN A 1 95 ? 21.777 7.267 10.973 1.00 21.86 ? 95 ASN A C 1 ATOM 736 O O . ASN A 1 95 ? 21.391 6.251 10.396 1.00 21.43 ? 95 ASN A O 1 ATOM 737 C CB . ASN A 1 95 ? 24.031 6.927 9.874 1.00 28.30 ? 95 ASN A CB 1 ATOM 738 C CG . ASN A 1 95 ? 23.543 6.665 8.450 1.00 35.95 ? 95 ASN A CG 1 ATOM 739 O OD1 . ASN A 1 95 ? 22.927 7.540 7.831 1.00 31.42 ? 95 ASN A OD1 1 ATOM 740 N ND2 . ASN A 1 95 ? 23.827 5.467 7.938 1.00 42.71 ? 95 ASN A ND2 1 ATOM 741 N N . ARG A 1 96 ? 21.063 7.877 11.915 1.00 20.28 ? 96 ARG A N 1 ATOM 742 C CA . ARG A 1 96 ? 19.733 7.418 12.317 1.00 18.27 ? 96 ARG A CA 1 ATOM 743 C C . ARG A 1 96 ? 18.902 8.646 12.703 1.00 17.14 ? 96 ARG A C 1 ATOM 744 O O . ARG A 1 96 ? 19.305 9.432 13.558 1.00 17.77 ? 96 ARG A O 1 ATOM 745 C CB . ARG A 1 96 ? 19.801 6.458 13.520 1.00 18.30 ? 96 ARG A CB 1 ATOM 746 C CG . ARG A 1 96 ? 20.509 5.118 13.281 1.00 18.52 ? 96 ARG A CG 1 ATOM 747 C CD . ARG A 1 96 ? 19.733 4.171 12.358 1.00 20.39 ? 96 ARG A CD 1 ATOM 748 N NE . ARG A 1 96 ? 20.337 2.835 12.322 1.00 21.74 ? 96 ARG A NE 1 ATOM 749 C CZ . ARG A 1 96 ? 21.416 2.508 11.616 1.00 21.04 ? 96 ARG A CZ 1 ATOM 750 N NH1 . ARG A 1 96 ? 22.028 3.416 10.865 1.00 21.44 ? 96 ARG A NH1 1 ATOM 751 N NH2 . ARG A 1 96 ? 21.895 1.271 11.675 1.00 20.41 ? 96 ARG A NH2 1 ATOM 752 N N . SER A 1 97 ? 17.746 8.807 12.070 1.00 16.59 ? 97 SER A N 1 ATOM 753 C CA . SER A 1 97 ? 16.850 9.920 12.356 1.00 15.60 ? 97 SER A CA 1 ATOM 754 C C . SER A 1 97 ? 16.184 9.660 13.702 1.00 15.97 ? 97 SER A C 1 ATOM 755 O O . SER A 1 97 ? 16.331 8.576 14.263 1.00 17.36 ? 97 SER A O 1 ATOM 756 C CB . SER A 1 97 ? 15.778 10.008 11.268 1.00 15.55 ? 97 SER A CB 1 ATOM 757 O OG . SER A 1 97 ? 14.966 8.844 11.269 1.00 15.42 ? 97 SER A OG 1 ATOM 758 N N . LEU A 1 98 ? 15.456 10.652 14.217 1.00 15.61 ? 98 LEU A N 1 ATOM 759 C CA . LEU A 1 98 ? 14.745 10.521 15.490 1.00 15.06 ? 98 LEU A CA 1 ATOM 760 C C . LEU A 1 98 ? 13.657 9.453 15.338 1.00 15.38 ? 98 LEU A C 1 ATOM 761 O O . LEU A 1 98 ? 13.315 8.746 16.289 1.00 12.84 ? 98 LEU A O 1 ATOM 762 C CB . LEU A 1 98 ? 14.080 11.845 15.860 1.00 15.85 ? 98 LEU A CB 1 ATOM 763 C CG . LEU A 1 98 ? 14.126 12.408 17.287 1.00 18.31 ? 98 LEU A CG 1 ATOM 764 C CD1 . LEU A 1 98 ? 12.918 13.301 17.470 1.00 18.06 ? 98 LEU A CD1 1 ATOM 765 C CD2 . LEU A 1 98 ? 14.135 11.314 18.344 1.00 16.97 ? 98 LEU A CD2 1 ATOM 766 N N . LEU A 1 99 ? 13.112 9.359 14.128 1.00 15.13 ? 99 LEU A N 1 ATOM 767 C CA . LEU A 1 99 ? 12.074 8.391 13.806 1.00 15.48 ? 99 LEU A CA 1 ATOM 768 C C . LEU A 1 99 ? 12.532 6.957 14.081 1.00 15.66 ? 99 LEU A C 1 ATOM 769 O O . LEU A 1 99 ? 11.718 6.082 14.388 1.00 16.13 ? 99 LEU A O 1 ATOM 770 C CB . LEU A 1 99 ? 11.684 8.531 12.337 1.00 15.58 ? 99 LEU A CB 1 ATOM 771 C CG . LEU A 1 99 ? 10.627 7.573 11.792 1.00 19.13 ? 99 LEU A CG 1 ATOM 772 C CD1 . LEU A 1 99 ? 9.257 7.890 12.394 1.00 15.45 ? 99 LEU A CD1 1 ATOM 773 C CD2 . LEU A 1 99 ? 10.590 7.714 10.278 1.00 20.40 ? 99 LEU A CD2 1 ATOM 774 N N . PHE A 1 100 ? 13.833 6.713 13.969 1.00 14.45 ? 100 PHE A N 1 ATOM 775 C CA . PHE A 1 100 ? 14.373 5.377 14.215 1.00 15.05 ? 100 PHE A CA 1 ATOM 776 C C . PHE A 1 100 ? 14.063 4.973 15.660 1.00 14.92 ? 100 PHE A C 1 ATOM 777 O O . PHE A 1 100 ? 13.638 3.849 15.927 1.00 14.57 ? 100 PHE A O 1 ATOM 778 C CB . PHE A 1 100 ? 15.880 5.381 13.948 1.00 15.69 ? 100 PHE A CB 1 ATOM 779 C CG . PHE A 1 100 ? 16.585 4.126 14.383 1.00 16.66 ? 100 PHE A CG 1 ATOM 780 C CD1 . PHE A 1 100 ? 16.319 2.903 13.767 1.00 17.33 ? 100 PHE A CD1 1 ATOM 781 C CD2 . PHE A 1 100 ? 17.537 4.178 15.400 1.00 14.65 ? 100 PHE A CD2 1 ATOM 782 C CE1 . PHE A 1 100 ? 16.999 1.737 14.160 1.00 17.88 ? 100 PHE A CE1 1 ATOM 783 C CE2 . PHE A 1 100 ? 18.224 3.030 15.805 1.00 17.77 ? 100 PHE A CE2 1 ATOM 784 C CZ . PHE A 1 100 ? 17.956 1.802 15.184 1.00 19.21 ? 100 PHE A CZ 1 ATOM 785 N N . MET A 1 101 ? 14.284 5.898 16.589 1.00 14.83 ? 101 MET A N 1 ATOM 786 C CA . MET A 1 101 ? 13.980 5.668 17.997 1.00 13.86 ? 101 MET A CA 1 ATOM 787 C C . MET A 1 101 ? 12.462 5.525 18.171 1.00 13.98 ? 101 MET A C 1 ATOM 788 O O . MET A 1 101 ? 11.982 4.594 18.814 1.00 14.27 ? 101 MET A O 1 ATOM 789 C CB . MET A 1 101 ? 14.486 6.849 18.845 1.00 12.96 ? 101 MET A CB 1 ATOM 790 C CG . MET A 1 101 ? 14.074 6.846 20.330 1.00 12.90 ? 101 MET A CG 1 ATOM 791 S SD . MET A 1 101 ? 12.337 7.324 20.691 1.00 14.88 ? 101 MET A SD 1 ATOM 792 C CE . MET A 1 101 ? 12.348 9.084 20.455 1.00 12.11 ? 101 MET A CE 1 ATOM 793 N N . GLN A 1 102 ? 11.709 6.435 17.565 1.00 13.46 ? 102 GLN A N 1 ATOM 794 C CA . GLN A 1 102 ? 10.263 6.429 17.708 1.00 14.29 ? 102 GLN A CA 1 ATOM 795 C C . GLN A 1 102 ? 9.540 5.202 17.153 1.00 15.92 ? 102 GLN A C 1 ATOM 796 O O . GLN A 1 102 ? 8.533 4.773 17.719 1.00 15.07 ? 102 GLN A O 1 ATOM 797 C CB . GLN A 1 102 ? 9.675 7.705 17.103 1.00 11.82 ? 102 GLN A CB 1 ATOM 798 C CG . GLN A 1 102 ? 8.231 7.923 17.509 1.00 14.14 ? 102 GLN A CG 1 ATOM 799 C CD . GLN A 1 102 ? 8.046 7.866 19.015 1.00 13.23 ? 102 GLN A CD 1 ATOM 800 O OE1 . GLN A 1 102 ? 8.542 8.728 19.736 1.00 16.62 ? 102 GLN A OE1 1 ATOM 801 N NE2 . GLN A 1 102 ? 7.340 6.840 19.500 1.00 11.25 ? 102 GLN A NE2 1 ATOM 802 N N . TRP A 1 103 ? 10.040 4.628 16.062 1.00 16.29 ? 103 TRP A N 1 ATOM 803 C CA . TRP A 1 103 ? 9.382 3.453 15.496 1.00 15.89 ? 103 TRP A CA 1 ATOM 804 C C . TRP A 1 103 ? 9.555 2.260 16.441 1.00 15.05 ? 103 TRP A C 1 ATOM 805 O O . TRP A 1 103 ? 8.668 1.411 16.571 1.00 12.74 ? 103 TRP A O 1 ATOM 806 C CB . TRP A 1 103 ? 9.940 3.125 14.098 1.00 16.06 ? 103 TRP A CB 1 ATOM 807 C CG . TRP A 1 103 ? 9.134 2.068 13.416 1.00 16.65 ? 103 TRP A CG 1 ATOM 808 C CD1 . TRP A 1 103 ? 9.486 0.764 13.222 1.00 17.19 ? 103 TRP A CD1 1 ATOM 809 C CD2 . TRP A 1 103 ? 7.789 2.195 12.941 1.00 17.27 ? 103 TRP A CD2 1 ATOM 810 N NE1 . TRP A 1 103 ? 8.442 0.069 12.660 1.00 16.06 ? 103 TRP A NE1 1 ATOM 811 C CE2 . TRP A 1 103 ? 7.387 0.923 12.477 1.00 16.42 ? 103 TRP A CE2 1 ATOM 812 C CE3 . TRP A 1 103 ? 6.882 3.261 12.866 1.00 16.22 ? 103 TRP A CE3 1 ATOM 813 C CZ2 . TRP A 1 103 ? 6.115 0.685 11.947 1.00 16.82 ? 103 TRP A CZ2 1 ATOM 814 C CZ3 . TRP A 1 103 ? 5.620 3.027 12.341 1.00 17.37 ? 103 TRP A CZ3 1 ATOM 815 C CH2 . TRP A 1 103 ? 5.248 1.745 11.886 1.00 16.44 ? 103 TRP A CH2 1 ATOM 816 N N . GLY A 1 104 ? 10.696 2.216 17.117 1.00 13.29 ? 104 GLY A N 1 ATOM 817 C CA . GLY A 1 104 ? 10.952 1.131 18.040 1.00 11.49 ? 104 GLY A CA 1 ATOM 818 C C . GLY A 1 104 ? 9.957 1.104 19.185 1.00 11.05 ? 104 GLY A C 1 ATOM 819 O O . GLY A 1 104 ? 9.504 0.035 19.588 1.00 9.52 ? 104 GLY A O 1 ATOM 820 N N . GLN A 1 105 ? 9.609 2.273 19.715 1.00 11.96 ? 105 GLN A N 1 ATOM 821 C CA . GLN A 1 105 ? 8.650 2.340 20.814 1.00 12.45 ? 105 GLN A CA 1 ATOM 822 C C . GLN A 1 105 ? 7.255 1.909 20.328 1.00 13.00 ? 105 GLN A C 1 ATOM 823 O O . GLN A 1 105 ? 6.474 1.346 21.091 1.00 12.62 ? 105 GLN A O 1 ATOM 824 C CB . GLN A 1 105 ? 8.606 3.761 21.408 1.00 11.79 ? 105 GLN A CB 1 ATOM 825 C CG . GLN A 1 105 ? 7.885 3.845 22.764 1.00 11.79 ? 105 GLN A CG 1 ATOM 826 C CD . GLN A 1 105 ? 7.797 5.262 23.305 1.00 12.27 ? 105 GLN A CD 1 ATOM 827 O OE1 . GLN A 1 105 ? 7.813 6.225 22.546 1.00 14.27 ? 105 GLN A OE1 1 ATOM 828 N NE2 . GLN A 1 105 ? 7.682 5.392 24.617 1.00 11.55 ? 105 GLN A NE2 1 ATOM 829 N N . ILE A 1 106 ? 6.951 2.176 19.059 1.00 13.66 ? 106 ILE A N 1 ATOM 830 C CA . ILE A 1 106 ? 5.669 1.781 18.466 1.00 12.95 ? 106 ILE A CA 1 ATOM 831 C C . ILE A 1 106 ? 5.588 0.259 18.306 1.00 12.12 ? 106 ILE A C 1 ATOM 832 O O . ILE A 1 106 ? 4.595 -0.360 18.681 1.00 11.80 ? 106 ILE A O 1 ATOM 833 C CB . ILE A 1 106 ? 5.460 2.456 17.067 1.00 15.07 ? 106 ILE A CB 1 ATOM 834 C CG1 . ILE A 1 106 ? 4.826 3.839 17.237 1.00 17.06 ? 106 ILE A CG1 1 ATOM 835 C CG2 . ILE A 1 106 ? 4.582 1.597 16.165 1.00 14.15 ? 106 ILE A CG2 1 ATOM 836 C CD1 . ILE A 1 106 ? 5.697 4.826 17.967 1.00 25.77 ? 106 ILE A CD1 1 ATOM 837 N N . VAL A 1 107 ? 6.629 -0.343 17.741 1.00 12.71 ? 107 VAL A N 1 ATOM 838 C CA . VAL A 1 107 ? 6.648 -1.792 17.532 1.00 10.41 ? 107 VAL A CA 1 ATOM 839 C C . VAL A 1 107 ? 6.518 -2.465 18.883 1.00 11.37 ? 107 VAL A C 1 ATOM 840 O O . VAL A 1 107 ? 5.744 -3.406 19.092 1.00 10.17 ? 107 VAL A O 1 ATOM 841 C CB . VAL A 1 107 ? 7.970 -2.237 16.857 1.00 9.63 ? 107 VAL A CB 1 ATOM 842 C CG1 . VAL A 1 107 ? 8.031 -3.750 16.769 1.00 9.28 ? 107 VAL A CG1 1 ATOM 843 C CG2 . VAL A 1 107 ? 8.069 -1.623 15.465 1.00 8.82 ? 107 VAL A CG2 1 ATOM 844 N N . ASP A 1 108 ? 7.302 -1.949 19.868 1.00 12.41 ? 108 ASP A N 1 ATOM 845 C CA . ASP A 1 108 ? 7.337 -2.497 21.247 1.00 12.88 ? 108 ASP A CA 1 ATOM 846 C C . ASP A 1 108 ? 5.943 -2.461 21.856 1.00 12.34 ? 108 ASP A C 1 ATOM 847 O O . ASP A 1 108 ? 5.510 -3.429 22.463 1.00 12.42 ? 108 ASP A O 1 ATOM 848 C CB . ASP A 1 108 ? 8.318 -1.700 22.158 1.00 15.57 ? 108 ASP A CB 1 ATOM 849 C CG . ASP A 1 108 ? 8.322 -2.058 23.632 1.00 17.69 ? 108 ASP A CG 1 ATOM 850 O OD1 . ASP A 1 108 ? 7.343 -1.722 24.338 1.00 18.18 ? 108 ASP A OD1 1 ATOM 851 O OD2 . ASP A 1 108 ? 9.294 -2.676 24.099 1.00 20.87 ? 108 ASP A OD2 1 ATOM 852 N N . HIS A 1 109 ? 5.226 -1.353 21.698 1.00 11.10 ? 109 HIS A N 1 ATOM 853 C CA . HIS A 1 109 ? 3.922 -1.238 22.323 1.00 10.07 ? 109 HIS A CA 1 ATOM 854 C C . HIS A 1 109 ? 2.887 -2.128 21.673 1.00 10.04 ? 109 HIS A C 1 ATOM 855 O O . HIS A 1 109 ? 1.901 -2.506 22.301 1.00 11.53 ? 109 HIS A O 1 ATOM 856 C CB . HIS A 1 109 ? 3.478 0.221 22.340 1.00 7.09 ? 109 HIS A CB 1 ATOM 857 C CG . HIS A 1 109 ? 4.242 1.054 23.320 1.00 7.70 ? 109 HIS A CG 1 ATOM 858 N ND1 . HIS A 1 109 ? 3.901 2.355 23.624 1.00 8.40 ? 109 HIS A ND1 1 ATOM 859 C CD2 . HIS A 1 109 ? 5.313 0.756 24.091 1.00 7.34 ? 109 HIS A CD2 1 ATOM 860 C CE1 . HIS A 1 109 ? 4.724 2.820 24.544 1.00 6.45 ? 109 HIS A CE1 1 ATOM 861 N NE2 . HIS A 1 109 ? 5.591 1.870 24.844 1.00 9.02 ? 109 HIS A NE2 1 ATOM 862 N N . ASP A 1 110 ? 3.129 -2.483 20.419 1.00 11.49 ? 110 ASP A N 1 ATOM 863 C CA . ASP A 1 110 ? 2.237 -3.378 19.689 1.00 12.67 ? 110 ASP A CA 1 ATOM 864 C C . ASP A 1 110 ? 2.417 -4.798 20.250 1.00 11.89 ? 110 ASP A C 1 ATOM 865 O O . ASP A 1 110 ? 1.481 -5.560 20.330 1.00 12.30 ? 110 ASP A O 1 ATOM 866 C CB . ASP A 1 110 ? 2.618 -3.362 18.195 1.00 13.62 ? 110 ASP A CB 1 ATOM 867 C CG . ASP A 1 110 ? 1.568 -4.005 17.295 1.00 16.92 ? 110 ASP A CG 1 ATOM 868 O OD1 . ASP A 1 110 ? 1.135 -5.127 17.580 1.00 17.17 ? 110 ASP A OD1 1 ATOM 869 O OD2 . ASP A 1 110 ? 1.188 -3.391 16.276 1.00 19.68 ? 110 ASP A OD2 1 ATOM 870 N N . LEU A 1 111 ? 3.626 -5.125 20.689 1.00 11.91 ? 111 LEU A N 1 ATOM 871 C CA . LEU A 1 111 ? 3.936 -6.468 21.157 1.00 11.66 ? 111 LEU A CA 1 ATOM 872 C C . LEU A 1 111 ? 3.813 -6.820 22.634 1.00 12.45 ? 111 LEU A C 1 ATOM 873 O O . LEU A 1 111 ? 3.404 -7.931 22.962 1.00 12.86 ? 111 LEU A O 1 ATOM 874 C CB . LEU A 1 111 ? 5.351 -6.823 20.713 1.00 10.21 ? 111 LEU A CB 1 ATOM 875 C CG . LEU A 1 111 ? 5.669 -6.656 19.227 1.00 12.15 ? 111 LEU A CG 1 ATOM 876 C CD1 . LEU A 1 111 ? 7.168 -6.880 19.020 1.00 10.63 ? 111 LEU A CD1 1 ATOM 877 C CD2 . LEU A 1 111 ? 4.848 -7.641 18.394 1.00 9.81 ? 111 LEU A CD2 1 ATOM 878 N N . ASP A 1 112 ? 4.179 -5.911 23.531 1.00 11.14 ? 112 ASP A N 1 ATOM 879 C CA . ASP A 1 112 ? 4.126 -6.256 24.945 1.00 12.91 ? 112 ASP A CA 1 ATOM 880 C C . ASP A 1 112 ? 3.759 -5.147 25.914 1.00 13.09 ? 112 ASP A C 1 ATOM 881 O O . ASP A 1 112 ? 4.099 -3.976 25.714 1.00 11.97 ? 112 ASP A O 1 ATOM 882 C CB . ASP A 1 112 ? 5.465 -6.900 25.406 1.00 13.22 ? 112 ASP A CB 1 ATOM 883 C CG . ASP A 1 112 ? 6.704 -6.142 24.916 1.00 14.29 ? 112 ASP A CG 1 ATOM 884 O OD1 . ASP A 1 112 ? 7.068 -6.303 23.735 1.00 17.83 ? 112 ASP A OD1 1 ATOM 885 O OD2 . ASP A 1 112 ? 7.314 -5.384 25.704 1.00 15.11 ? 112 ASP A OD2 1 ATOM 886 N N . PHE A 1 113 ? 3.036 -5.547 26.959 1.00 13.54 ? 113 PHE A N 1 ATOM 887 C CA . PHE A 1 113 ? 2.633 -4.658 28.038 1.00 14.31 ? 113 PHE A CA 1 ATOM 888 C C . PHE A 1 113 ? 2.377 -5.474 29.299 1.00 14.97 ? 113 PHE A C 1 ATOM 889 O O . PHE A 1 113 ? 1.437 -6.270 29.358 1.00 16.56 ? 113 PHE A O 1 ATOM 890 C CB . PHE A 1 113 ? 1.374 -3.865 27.690 1.00 14.72 ? 113 PHE A CB 1 ATOM 891 C CG . PHE A 1 113 ? 1.014 -2.827 28.724 1.00 16.42 ? 113 PHE A CG 1 ATOM 892 C CD1 . PHE A 1 113 ? 2.012 -2.201 29.467 1.00 14.77 ? 113 PHE A CD1 1 ATOM 893 C CD2 . PHE A 1 113 ? -0.311 -2.430 28.915 1.00 17.48 ? 113 PHE A CD2 1 ATOM 894 C CE1 . PHE A 1 113 ? 1.707 -1.192 30.381 1.00 18.06 ? 113 PHE A CE1 1 ATOM 895 C CE2 . PHE A 1 113 ? -0.630 -1.417 29.827 1.00 18.21 ? 113 PHE A CE2 1 ATOM 896 C CZ . PHE A 1 113 ? 0.385 -0.795 30.561 1.00 17.83 ? 113 PHE A CZ 1 ATOM 897 N N . ALA A 1 114 ? 3.235 -5.289 30.297 1.00 15.19 ? 114 ALA A N 1 ATOM 898 C CA . ALA A 1 114 ? 3.096 -5.983 31.573 1.00 18.34 ? 114 ALA A CA 1 ATOM 899 C C . ALA A 1 114 ? 2.715 -4.925 32.608 1.00 18.86 ? 114 ALA A C 1 ATOM 900 O O . ALA A 1 114 ? 3.579 -4.340 33.255 1.00 20.04 ? 114 ALA A O 1 ATOM 901 C CB . ALA A 1 114 ? 4.421 -6.665 31.953 1.00 16.96 ? 114 ALA A CB 1 ATOM 902 N N . PRO A 1 115 ? 1.407 -4.670 32.777 1.00 21.37 ? 115 PRO A N 1 ATOM 903 C CA . PRO A 1 115 ? 0.900 -3.669 33.729 1.00 24.51 ? 115 PRO A CA 1 ATOM 904 C C . PRO A 1 115 ? 1.242 -3.903 35.192 1.00 25.95 ? 115 PRO A C 1 ATOM 905 O O . PRO A 1 115 ? 1.354 -5.039 35.646 1.00 25.23 ? 115 PRO A O 1 ATOM 906 C CB . PRO A 1 115 ? -0.620 -3.711 33.527 1.00 23.45 ? 115 PRO A CB 1 ATOM 907 C CG . PRO A 1 115 ? -0.803 -4.341 32.197 1.00 24.33 ? 115 PRO A CG 1 ATOM 908 C CD . PRO A 1 115 ? 0.291 -5.380 32.134 1.00 21.91 ? 115 PRO A CD 1 ATOM 909 N N . GLU A 1 116 ? 1.391 -2.807 35.926 1.00 30.54 ? 116 GLU A N 1 ATOM 910 C CA . GLU A 1 116 ? 1.660 -2.867 37.352 1.00 34.77 ? 116 GLU A CA 1 ATOM 911 C C . GLU A 1 116 ? 0.405 -3.400 38.014 1.00 37.64 ? 116 GLU A C 1 ATOM 912 O O . GLU A 1 116 ? -0.688 -3.289 37.457 1.00 38.87 ? 116 GLU A O 1 ATOM 913 C CB . GLU A 1 116 ? 1.933 -1.470 37.897 1.00 35.24 ? 116 GLU A CB 1 ATOM 914 C CG . GLU A 1 116 ? 3.387 -1.092 37.961 1.00 38.99 ? 116 GLU A CG 1 ATOM 915 C CD . GLU A 1 116 ? 3.575 0.402 38.120 1.00 41.66 ? 116 GLU A CD 1 ATOM 916 O OE1 . GLU A 1 116 ? 2.708 1.051 38.752 1.00 43.92 ? 116 GLU A OE1 1 ATOM 917 O OE2 . GLU A 1 116 ? 4.594 0.925 37.621 1.00 42.29 ? 116 GLU A OE2 1 ATOM 918 N N . THR A 1 117 ? 0.557 -3.996 39.191 1.00 42.13 ? 117 THR A N 1 ATOM 919 C CA . THR A 1 117 ? -0.602 -4.487 39.922 1.00 46.29 ? 117 THR A CA 1 ATOM 920 C C . THR A 1 117 ? -1.353 -3.273 40.443 1.00 50.50 ? 117 THR A C 1 ATOM 921 O O . THR A 1 117 ? -0.761 -2.222 40.728 1.00 49.73 ? 117 THR A O 1 ATOM 922 C CB . THR A 1 117 ? -0.217 -5.333 41.136 1.00 45.09 ? 117 THR A CB 1 ATOM 923 O OG1 . THR A 1 117 ? 0.849 -4.685 41.843 1.00 45.03 ? 117 THR A OG1 1 ATOM 924 C CG2 . THR A 1 117 ? 0.190 -6.731 40.709 1.00 44.97 ? 117 THR A CG2 1 ATOM 925 N N . GLU A 1 118 ? -2.661 -3.433 40.574 1.00 55.57 ? 118 GLU A N 1 ATOM 926 C CA . GLU A 1 118 ? -3.519 -2.371 41.058 1.00 60.95 ? 118 GLU A CA 1 ATOM 927 C C . GLU A 1 118 ? -3.954 -2.683 42.492 1.00 63.68 ? 118 GLU A C 1 ATOM 928 O O . GLU A 1 118 ? -3.291 -2.278 43.458 1.00 63.93 ? 118 GLU A O 1 ATOM 929 C CB . GLU A 1 118 ? -4.732 -2.254 40.126 1.00 61.93 ? 118 GLU A CB 1 ATOM 930 C CG . GLU A 1 118 ? -5.722 -1.153 40.450 1.00 64.09 ? 118 GLU A CG 1 ATOM 931 C CD . GLU A 1 118 ? -6.866 -1.115 39.453 1.00 65.63 ? 118 GLU A CD 1 ATOM 932 O OE1 . GLU A 1 118 ? -6.675 -0.567 38.343 1.00 66.39 ? 118 GLU A OE1 1 ATOM 933 O OE2 . GLU A 1 118 ? -7.951 -1.651 39.774 1.00 65.89 ? 118 GLU A OE2 1 ATOM 934 N N . LEU A 1 119 ? -5.048 -3.436 42.615 1.00 66.93 ? 119 LEU A N 1 ATOM 935 C CA . LEU A 1 119 ? -5.628 -3.790 43.908 1.00 69.44 ? 119 LEU A CA 1 ATOM 936 C C . LEU A 1 119 ? -5.806 -2.490 44.686 1.00 71.49 ? 119 LEU A C 1 ATOM 937 O O . LEU A 1 119 ? -5.949 -2.495 45.918 1.00 72.02 ? 119 LEU A O 1 ATOM 938 C CB . LEU A 1 119 ? -4.716 -4.760 44.679 1.00 69.28 ? 119 LEU A CB 1 ATOM 939 C CG . LEU A 1 119 ? -4.535 -6.146 44.043 1.00 69.78 ? 119 LEU A CG 1 ATOM 940 C CD1 . LEU A 1 119 ? -3.480 -6.057 42.953 1.00 69.32 ? 119 LEU A CD1 1 ATOM 941 C CD2 . LEU A 1 119 ? -4.127 -7.185 45.091 1.00 69.38 ? 119 LEU A CD2 1 ATOM 942 N N . GLY A 1 120 ? -5.827 -1.378 43.947 1.00 73.33 ? 120 GLY A N 1 ATOM 943 C CA . GLY A 1 120 ? -5.939 -0.085 44.590 1.00 75.23 ? 120 GLY A CA 1 ATOM 944 C C . GLY A 1 120 ? -6.585 1.132 43.935 1.00 76.99 ? 120 GLY A C 1 ATOM 945 O O . GLY A 1 120 ? -5.972 1.840 43.140 1.00 76.92 ? 120 GLY A O 1 ATOM 946 N N . SER A 1 121 ? -7.847 1.347 44.291 1.00 78.39 ? 121 SER A N 1 ATOM 947 C CA . SER A 1 121 ? -8.639 2.510 43.901 1.00 79.64 ? 121 SER A CA 1 ATOM 948 C C . SER A 1 121 ? -9.252 2.727 45.276 1.00 80.57 ? 121 SER A C 1 ATOM 949 O O . SER A 1 121 ? -10.053 1.909 45.734 1.00 81.11 ? 121 SER A O 1 ATOM 950 C CB . SER A 1 121 ? -9.692 2.196 42.811 1.00 79.17 ? 121 SER A CB 1 ATOM 951 O OG . SER A 1 121 ? -10.367 0.966 43.019 1.00 78.87 ? 121 SER A OG 1 ATOM 952 N N . ASN A 1 122 ? -8.797 3.788 45.947 1.00 81.15 ? 122 ASN A N 1 ATOM 953 C CA . ASN A 1 122 ? -9.195 4.132 47.318 1.00 81.65 ? 122 ASN A CA 1 ATOM 954 C C . ASN A 1 122 ? -8.340 3.205 48.191 1.00 81.67 ? 122 ASN A C 1 ATOM 955 O O . ASN A 1 122 ? -8.845 2.458 49.034 1.00 81.73 ? 122 ASN A O 1 ATOM 956 C CB . ASN A 1 122 ? -10.695 3.889 47.568 1.00 81.84 ? 122 ASN A CB 1 ATOM 957 C CG . ASN A 1 122 ? -11.166 4.487 48.885 1.00 82.00 ? 122 ASN A CG 1 ATOM 958 O OD1 . ASN A 1 122 ? -10.901 3.945 49.962 1.00 82.12 ? 122 ASN A OD1 1 ATOM 959 N ND2 . ASN A 1 122 ? -11.857 5.621 48.804 1.00 81.96 ? 122 ASN A ND2 1 ATOM 960 N N . GLU A 1 123 ? -7.033 3.242 47.927 1.00 81.42 ? 123 GLU A N 1 ATOM 961 C CA . GLU A 1 123 ? -6.048 2.422 48.632 1.00 81.33 ? 123 GLU A CA 1 ATOM 962 C C . GLU A 1 123 ? -5.002 3.288 49.339 1.00 80.84 ? 123 GLU A C 1 ATOM 963 O O . GLU A 1 123 ? -4.648 4.367 48.855 1.00 80.68 ? 123 GLU A O 1 ATOM 964 C CB . GLU A 1 123 ? -5.341 1.490 47.639 1.00 81.98 ? 123 GLU A CB 1 ATOM 965 C CG . GLU A 1 123 ? -4.377 0.504 48.277 1.00 82.86 ? 123 GLU A CG 1 ATOM 966 C CD . GLU A 1 123 ? -5.069 -0.421 49.259 1.00 83.61 ? 123 GLU A CD 1 ATOM 967 O OE1 . GLU A 1 123 ? -6.004 -1.136 48.838 1.00 84.19 ? 123 GLU A OE1 1 ATOM 968 O OE2 . GLU A 1 123 ? -4.684 -0.434 50.449 1.00 83.94 ? 123 GLU A OE2 1 ATOM 969 N N . HIS A 1 124 ? -4.510 2.809 50.480 1.00 80.32 ? 124 HIS A N 1 ATOM 970 C CA . HIS A 1 124 ? -3.496 3.525 51.252 1.00 79.33 ? 124 HIS A CA 1 ATOM 971 C C . HIS A 1 124 ? -2.130 2.857 51.104 1.00 78.72 ? 124 HIS A C 1 ATOM 972 O O . HIS A 1 124 ? -1.136 3.314 51.673 1.00 78.84 ? 124 HIS A O 1 ATOM 973 C CB . HIS A 1 124 ? -3.906 3.593 52.727 1.00 79.52 ? 124 HIS A CB 1 ATOM 974 C CG . HIS A 1 124 ? -4.251 4.976 53.190 1.00 79.91 ? 124 HIS A CG 1 ATOM 975 N ND1 . HIS A 1 124 ? -5.323 5.243 54.014 1.00 79.88 ? 124 HIS A ND1 1 ATOM 976 C CD2 . HIS A 1 124 ? -3.661 6.170 52.943 1.00 80.08 ? 124 HIS A CD2 1 ATOM 977 C CE1 . HIS A 1 124 ? -5.381 6.541 54.252 1.00 79.98 ? 124 HIS A CE1 1 ATOM 978 N NE2 . HIS A 1 124 ? -4.383 7.126 53.614 1.00 80.00 ? 124 HIS A NE2 1 ATOM 979 N N . SER A 1 125 ? -2.093 1.772 50.334 1.00 77.53 ? 125 SER A N 1 ATOM 980 C CA . SER A 1 125 ? -0.853 1.047 50.076 1.00 76.07 ? 125 SER A CA 1 ATOM 981 C C . SER A 1 125 ? -0.057 1.841 49.047 1.00 75.01 ? 125 SER A C 1 ATOM 982 O O . SER A 1 125 ? 1.171 1.751 48.985 1.00 75.01 ? 125 SER A O 1 ATOM 983 C CB . SER A 1 125 ? -1.156 -0.352 49.531 1.00 75.97 ? 125 SER A CB 1 ATOM 984 O OG . SER A 1 125 ? 0.032 -1.019 49.136 1.00 76.13 ? 125 SER A OG 1 ATOM 985 N N . LYS A 1 126 ? -0.777 2.618 48.242 1.00 73.52 ? 126 LYS A N 1 ATOM 986 C CA . LYS A 1 126 ? -0.169 3.456 47.216 1.00 72.42 ? 126 LYS A CA 1 ATOM 987 C C . LYS A 1 126 ? 0.448 4.666 47.908 1.00 70.75 ? 126 LYS A C 1 ATOM 988 O O . LYS A 1 126 ? 1.145 5.470 47.288 1.00 71.21 ? 126 LYS A O 1 ATOM 989 C CB . LYS A 1 126 ? -1.231 3.907 46.207 1.00 73.69 ? 126 LYS A CB 1 ATOM 990 C CG . LYS A 1 126 ? -2.027 2.752 45.598 1.00 74.92 ? 126 LYS A CG 1 ATOM 991 C CD . LYS A 1 126 ? -3.182 3.229 44.715 1.00 75.66 ? 126 LYS A CD 1 ATOM 992 C CE . LYS A 1 126 ? -4.237 3.989 45.515 1.00 75.80 ? 126 LYS A CE 1 ATOM 993 N NZ . LYS A 1 126 ? -5.528 4.110 44.771 1.00 76.42 ? 126 LYS A NZ 1 ATOM 994 N N . THR A 1 127 ? 0.167 4.790 49.202 1.00 68.03 ? 127 THR A N 1 ATOM 995 C CA . THR A 1 127 ? 0.711 5.868 50.009 1.00 65.16 ? 127 THR A CA 1 ATOM 996 C C . THR A 1 127 ? 1.741 5.250 50.954 1.00 62.93 ? 127 THR A C 1 ATOM 997 O O . THR A 1 127 ? 2.821 5.805 51.144 1.00 62.96 ? 127 THR A O 1 ATOM 998 C CB . THR A 1 127 ? -0.404 6.599 50.809 1.00 66.16 ? 127 THR A CB 1 ATOM 999 O OG1 . THR A 1 127 ? -1.217 7.362 49.906 1.00 66.19 ? 127 THR A OG1 1 ATOM 1000 C CG2 . THR A 1 127 ? 0.198 7.541 51.849 1.00 66.08 ? 127 THR A CG2 1 ATOM 1001 N N . GLN A 1 128 ? 1.423 4.091 51.526 1.00 60.09 ? 128 GLN A N 1 ATOM 1002 C CA . GLN A 1 128 ? 2.360 3.423 52.428 1.00 57.60 ? 128 GLN A CA 1 ATOM 1003 C C . GLN A 1 128 ? 3.646 3.116 51.667 1.00 55.26 ? 128 GLN A C 1 ATOM 1004 O O . GLN A 1 128 ? 4.724 3.026 52.255 1.00 54.75 ? 128 GLN A O 1 ATOM 1005 C CB . GLN A 1 128 ? 1.768 2.117 52.973 1.00 59.01 ? 128 GLN A CB 1 ATOM 1006 C CG . GLN A 1 128 ? 2.644 1.445 54.042 1.00 60.76 ? 128 GLN A CG 1 ATOM 1007 C CD . GLN A 1 128 ? 2.098 0.101 54.515 1.00 61.90 ? 128 GLN A CD 1 ATOM 1008 O OE1 . GLN A 1 128 ? 1.703 -0.739 53.705 1.00 62.39 ? 128 GLN A OE1 1 ATOM 1009 N NE2 . GLN A 1 128 ? 2.091 -0.112 55.829 1.00 61.50 ? 128 GLN A NE2 1 ATOM 1010 N N . CYS A 1 129 ? 3.521 2.967 50.351 1.00 51.31 ? 129 CYS A N 1 ATOM 1011 C CA . CYS A 1 129 ? 4.657 2.668 49.486 1.00 47.68 ? 129 CYS A CA 1 ATOM 1012 C C . CYS A 1 129 ? 5.436 3.923 49.134 1.00 48.10 ? 129 CYS A C 1 ATOM 1013 O O . CYS A 1 129 ? 6.662 3.953 49.211 1.00 47.55 ? 129 CYS A O 1 ATOM 1014 C CB . CYS A 1 129 ? 4.169 2.018 48.195 1.00 43.08 ? 129 CYS A CB 1 ATOM 1015 S SG . CYS A 1 129 ? 5.488 1.252 47.213 1.00 37.42 ? 129 CYS A SG 1 ATOM 1016 N N . GLU A 1 130 ? 4.701 4.956 48.748 1.00 49.73 ? 130 GLU A N 1 ATOM 1017 C CA . GLU A 1 130 ? 5.281 6.227 48.345 1.00 51.00 ? 130 GLU A CA 1 ATOM 1018 C C . GLU A 1 130 ? 5.763 7.066 49.524 1.00 50.12 ? 130 GLU A C 1 ATOM 1019 O O . GLU A 1 130 ? 6.859 7.624 49.505 1.00 50.15 ? 130 GLU A O 1 ATOM 1020 C CB . GLU A 1 130 ? 4.234 7.006 47.536 1.00 52.52 ? 130 GLU A CB 1 ATOM 1021 C CG . GLU A 1 130 ? 4.741 8.282 46.879 1.00 55.98 ? 130 GLU A CG 1 ATOM 1022 C CD . GLU A 1 130 ? 3.703 8.965 46.004 1.00 57.94 ? 130 GLU A CD 1 ATOM 1023 O OE1 . GLU A 1 130 ? 2.514 8.971 46.388 1.00 60.09 ? 130 GLU A OE1 1 ATOM 1024 O OE2 . GLU A 1 130 ? 4.073 9.504 44.941 1.00 58.75 ? 130 GLU A OE2 1 ATOM 1025 N N . GLU A 1 131 ? 4.938 7.118 50.559 1.00 50.58 ? 131 GLU A N 1 ATOM 1026 C CA . GLU A 1 131 ? 5.194 7.917 51.747 1.00 51.03 ? 131 GLU A CA 1 ATOM 1027 C C . GLU A 1 131 ? 6.214 7.376 52.753 1.00 49.56 ? 131 GLU A C 1 ATOM 1028 O O . GLU A 1 131 ? 6.958 8.149 53.360 1.00 50.03 ? 131 GLU A O 1 ATOM 1029 C CB . GLU A 1 131 ? 3.852 8.154 52.452 1.00 53.09 ? 131 GLU A CB 1 ATOM 1030 C CG . GLU A 1 131 ? 3.467 9.609 52.673 1.00 56.84 ? 131 GLU A CG 1 ATOM 1031 C CD . GLU A 1 131 ? 3.855 10.518 51.518 1.00 58.32 ? 131 GLU A CD 1 ATOM 1032 O OE1 . GLU A 1 131 ? 3.378 10.307 50.378 1.00 59.60 ? 131 GLU A OE1 1 ATOM 1033 O OE2 . GLU A 1 131 ? 4.648 11.453 51.762 1.00 59.89 ? 131 GLU A OE2 1 ATOM 1034 N N . TYR A 1 132 ? 6.271 6.059 52.921 1.00 47.23 ? 132 TYR A N 1 ATOM 1035 C CA . TYR A 1 132 ? 7.170 5.489 53.918 1.00 44.43 ? 132 TYR A CA 1 ATOM 1036 C C . TYR A 1 132 ? 8.211 4.499 53.421 1.00 42.03 ? 132 TYR A C 1 ATOM 1037 O O . TYR A 1 132 ? 9.071 4.048 54.186 1.00 40.49 ? 132 TYR A O 1 ATOM 1038 C CB . TYR A 1 132 ? 6.327 4.861 55.025 1.00 47.21 ? 132 TYR A CB 1 ATOM 1039 C CG . TYR A 1 132 ? 5.350 5.850 55.608 1.00 49.22 ? 132 TYR A CG 1 ATOM 1040 C CD1 . TYR A 1 132 ? 4.048 5.962 55.112 1.00 50.91 ? 132 TYR A CD1 1 ATOM 1041 C CD2 . TYR A 1 132 ? 5.747 6.719 56.616 1.00 50.14 ? 132 TYR A CD2 1 ATOM 1042 C CE1 . TYR A 1 132 ? 3.168 6.923 55.613 1.00 51.92 ? 132 TYR A CE1 1 ATOM 1043 C CE2 . TYR A 1 132 ? 4.884 7.679 57.120 1.00 51.68 ? 132 TYR A CE2 1 ATOM 1044 C CZ . TYR A 1 132 ? 3.597 7.778 56.621 1.00 52.66 ? 132 TYR A CZ 1 ATOM 1045 O OH . TYR A 1 132 ? 2.746 8.728 57.145 1.00 54.53 ? 132 TYR A OH 1 ATOM 1046 N N . CYS A 1 133 ? 8.139 4.171 52.138 1.00 38.59 ? 133 CYS A N 1 ATOM 1047 C CA . CYS A 1 133 ? 9.087 3.241 51.547 1.00 36.41 ? 133 CYS A CA 1 ATOM 1048 C C . CYS A 1 133 ? 9.087 1.900 52.271 1.00 35.67 ? 133 CYS A C 1 ATOM 1049 O O . CYS A 1 133 ? 10.138 1.270 52.438 1.00 34.10 ? 133 CYS A O 1 ATOM 1050 C CB . CYS A 1 133 ? 10.494 3.848 51.565 1.00 34.13 ? 133 CYS A CB 1 ATOM 1051 S SG . CYS A 1 133 ? 10.590 5.452 50.713 1.00 33.43 ? 133 CYS A SG 1 ATOM 1052 N N . ILE A 1 134 ? 7.910 1.471 52.718 1.00 35.40 ? 134 ILE A N 1 ATOM 1053 C CA . ILE A 1 134 ? 7.809 0.184 53.385 1.00 35.36 ? 134 ILE A CA 1 ATOM 1054 C C . ILE A 1 134 ? 7.578 -0.856 52.306 1.00 34.60 ? 134 ILE A C 1 ATOM 1055 O O . ILE A 1 134 ? 6.596 -0.805 51.564 1.00 34.20 ? 134 ILE A O 1 ATOM 1056 C CB . ILE A 1 134 ? 6.621 0.082 54.366 1.00 35.85 ? 134 ILE A CB 1 ATOM 1057 C CG1 . ILE A 1 134 ? 6.585 1.289 55.304 1.00 36.36 ? 134 ILE A CG1 1 ATOM 1058 C CG2 . ILE A 1 134 ? 6.749 -1.210 55.172 1.00 34.13 ? 134 ILE A CG2 1 ATOM 1059 C CD1 . ILE A 1 134 ? 7.810 1.438 56.164 1.00 37.02 ? 134 ILE A CD1 1 ATOM 1060 N N . GLN A 1 135 ? 8.508 -1.790 52.223 1.00 33.96 ? 135 GLN A N 1 ATOM 1061 C CA . GLN A 1 135 ? 8.437 -2.875 51.269 1.00 33.82 ? 135 GLN A CA 1 ATOM 1062 C C . GLN A 1 135 ? 7.450 -3.905 51.819 1.00 33.90 ? 135 GLN A C 1 ATOM 1063 O O . GLN A 1 135 ? 7.368 -4.120 53.031 1.00 33.26 ? 135 GLN A O 1 ATOM 1064 C CB . GLN A 1 135 ? 9.832 -3.474 51.119 1.00 32.87 ? 135 GLN A CB 1 ATOM 1065 C CG . GLN A 1 135 ? 9.915 -4.772 50.369 1.00 33.82 ? 135 GLN A CG 1 ATOM 1066 C CD . GLN A 1 135 ? 11.346 -5.216 50.216 1.00 33.56 ? 135 GLN A CD 1 ATOM 1067 O OE1 . GLN A 1 135 ? 12.129 -4.582 49.514 1.00 35.14 ? 135 GLN A OE1 1 ATOM 1068 N NE2 . GLN A 1 135 ? 11.704 -6.298 50.886 1.00 34.20 ? 135 GLN A NE2 1 ATOM 1069 N N . GLY A 1 136 ? 6.690 -4.529 50.933 1.00 32.65 ? 136 GLY A N 1 ATOM 1070 C CA . GLY A 1 136 ? 5.733 -5.516 51.385 1.00 32.93 ? 136 GLY A CA 1 ATOM 1071 C C . GLY A 1 136 ? 4.691 -5.697 50.313 1.00 33.72 ? 136 GLY A C 1 ATOM 1072 O O . GLY A 1 136 ? 4.262 -4.721 49.696 1.00 32.40 ? 136 GLY A O 1 ATOM 1073 N N . ASP A 1 137 ? 4.257 -6.935 50.111 1.00 35.94 ? 137 ASP A N 1 ATOM 1074 C CA . ASP A 1 137 ? 3.304 -7.219 49.061 1.00 37.03 ? 137 ASP A CA 1 ATOM 1075 C C . ASP A 1 137 ? 3.867 -6.613 47.769 1.00 36.32 ? 137 ASP A C 1 ATOM 1076 O O . ASP A 1 137 ? 5.086 -6.614 47.530 1.00 36.98 ? 137 ASP A O 1 ATOM 1077 C CB . ASP A 1 137 ? 1.943 -6.604 49.387 1.00 39.20 ? 137 ASP A CB 1 ATOM 1078 C CG . ASP A 1 137 ? 1.277 -7.270 50.583 1.00 42.24 ? 137 ASP A CG 1 ATOM 1079 O OD1 . ASP A 1 137 ? 1.454 -8.495 50.757 1.00 43.44 ? 137 ASP A OD1 1 ATOM 1080 O OD2 . ASP A 1 137 ? 0.566 -6.573 51.342 1.00 43.93 ? 137 ASP A OD2 1 ATOM 1081 N N . ASN A 1 138 ? 2.978 -6.050 46.964 1.00 34.27 ? 138 ASN A N 1 ATOM 1082 C CA . ASN A 1 138 ? 3.362 -5.451 45.689 1.00 33.62 ? 138 ASN A CA 1 ATOM 1083 C C . ASN A 1 138 ? 4.225 -4.190 45.686 1.00 30.75 ? 138 ASN A C 1 ATOM 1084 O O . ASN A 1 138 ? 4.598 -3.710 44.616 1.00 31.10 ? 138 ASN A O 1 ATOM 1085 C CB . ASN A 1 138 ? 2.103 -5.255 44.861 1.00 34.15 ? 138 ASN A CB 1 ATOM 1086 C CG . ASN A 1 138 ? 1.333 -6.558 44.705 1.00 36.77 ? 138 ASN A CG 1 ATOM 1087 O OD1 . ASN A 1 138 ? 1.872 -7.563 44.211 1.00 36.74 ? 138 ASN A OD1 1 ATOM 1088 N ND2 . ASN A 1 138 ? 0.081 -6.560 45.146 1.00 37.78 ? 138 ASN A ND2 1 ATOM 1089 N N . CYS A 1 139 ? 4.570 -3.677 46.865 1.00 28.26 ? 139 CYS A N 1 ATOM 1090 C CA . CYS A 1 139 ? 5.431 -2.502 46.947 1.00 26.80 ? 139 CYS A CA 1 ATOM 1091 C C . CYS A 1 139 ? 6.856 -3.015 47.124 1.00 23.22 ? 139 CYS A C 1 ATOM 1092 O O . CYS A 1 139 ? 7.152 -3.738 48.069 1.00 23.29 ? 139 CYS A O 1 ATOM 1093 C CB . CYS A 1 139 ? 5.026 -1.616 48.121 1.00 28.81 ? 139 CYS A CB 1 ATOM 1094 S SG . CYS A 1 139 ? 6.146 -0.212 48.451 1.00 33.10 ? 139 CYS A SG 1 ATOM 1095 N N . PHE A 1 140 ? 7.727 -2.634 46.197 1.00 20.85 ? 140 PHE A N 1 ATOM 1096 C CA . PHE A 1 140 ? 9.128 -3.061 46.176 1.00 18.55 ? 140 PHE A CA 1 ATOM 1097 C C . PHE A 1 140 ? 9.899 -1.787 45.806 1.00 19.55 ? 140 PHE A C 1 ATOM 1098 O O . PHE A 1 140 ? 10.368 -1.633 44.681 1.00 19.71 ? 140 PHE A O 1 ATOM 1099 C CB . PHE A 1 140 ? 9.237 -4.173 45.115 1.00 17.32 ? 140 PHE A CB 1 ATOM 1100 C CG . PHE A 1 140 ? 10.631 -4.693 44.867 1.00 16.61 ? 140 PHE A CG 1 ATOM 1101 C CD1 . PHE A 1 140 ? 11.566 -4.795 45.894 1.00 16.28 ? 140 PHE A CD1 1 ATOM 1102 C CD2 . PHE A 1 140 ? 10.980 -5.147 43.597 1.00 14.63 ? 140 PHE A CD2 1 ATOM 1103 C CE1 . PHE A 1 140 ? 12.831 -5.344 45.656 1.00 18.27 ? 140 PHE A CE1 1 ATOM 1104 C CE2 . PHE A 1 140 ? 12.235 -5.698 43.343 1.00 15.52 ? 140 PHE A CE2 1 ATOM 1105 C CZ . PHE A 1 140 ? 13.167 -5.800 44.374 1.00 17.46 ? 140 PHE A CZ 1 ATOM 1106 N N . PRO A 1 141 ? 10.061 -0.867 46.781 1.00 19.18 ? 141 PRO A N 1 ATOM 1107 C CA . PRO A 1 141 ? 10.742 0.426 46.622 1.00 18.20 ? 141 PRO A CA 1 ATOM 1108 C C . PRO A 1 141 ? 12.165 0.436 46.094 1.00 18.29 ? 141 PRO A C 1 ATOM 1109 O O . PRO A 1 141 ? 12.943 -0.465 46.375 1.00 17.30 ? 141 PRO A O 1 ATOM 1110 C CB . PRO A 1 141 ? 10.684 1.045 48.030 1.00 19.75 ? 141 PRO A CB 1 ATOM 1111 C CG . PRO A 1 141 ? 9.732 0.162 48.826 1.00 19.27 ? 141 PRO A CG 1 ATOM 1112 C CD . PRO A 1 141 ? 9.907 -1.192 48.213 1.00 17.61 ? 141 PRO A CD 1 ATOM 1113 N N . ILE A 1 142 ? 12.492 1.463 45.313 1.00 18.75 ? 142 ILE A N 1 ATOM 1114 C CA . ILE A 1 142 ? 13.850 1.635 44.815 1.00 19.62 ? 142 ILE A CA 1 ATOM 1115 C C . ILE A 1 142 ? 14.450 2.592 45.846 1.00 20.53 ? 142 ILE A C 1 ATOM 1116 O O . ILE A 1 142 ? 14.095 3.774 45.901 1.00 21.61 ? 142 ILE A O 1 ATOM 1117 C CB . ILE A 1 142 ? 13.878 2.281 43.404 1.00 18.71 ? 142 ILE A CB 1 ATOM 1118 C CG1 . ILE A 1 142 ? 13.386 1.270 42.361 1.00 20.55 ? 142 ILE A CG1 1 ATOM 1119 C CG2 . ILE A 1 142 ? 15.288 2.747 43.060 1.00 19.90 ? 142 ILE A CG2 1 ATOM 1120 C CD1 . ILE A 1 142 ? 13.233 1.834 40.952 1.00 17.04 ? 142 ILE A CD1 1 ATOM 1121 N N . MET A 1 143 ? 15.323 2.058 46.691 1.00 20.87 ? 143 MET A N 1 ATOM 1122 C CA . MET A 1 143 ? 15.958 2.837 47.745 1.00 23.22 ? 143 MET A CA 1 ATOM 1123 C C . MET A 1 143 ? 17.152 3.622 47.209 1.00 23.45 ? 143 MET A C 1 ATOM 1124 O O . MET A 1 143 ? 17.862 3.162 46.315 1.00 23.35 ? 143 MET A O 1 ATOM 1125 C CB . MET A 1 143 ? 16.434 1.910 48.872 1.00 24.99 ? 143 MET A CB 1 ATOM 1126 C CG . MET A 1 143 ? 15.352 1.029 49.497 1.00 26.15 ? 143 MET A CG 1 ATOM 1127 S SD . MET A 1 143 ? 14.009 1.955 50.282 1.00 33.61 ? 143 MET A SD 1 ATOM 1128 C CE . MET A 1 143 ? 14.942 3.049 51.397 1.00 30.18 ? 143 MET A CE 1 ATOM 1129 N N . PHE A 1 144 ? 17.368 4.810 47.758 1.00 23.82 ? 144 PHE A N 1 ATOM 1130 C CA . PHE A 1 144 ? 18.488 5.633 47.339 1.00 24.04 ? 144 PHE A CA 1 ATOM 1131 C C . PHE A 1 144 ? 19.725 5.234 48.124 1.00 24.04 ? 144 PHE A C 1 ATOM 1132 O O . PHE A 1 144 ? 19.644 4.920 49.314 1.00 23.92 ? 144 PHE A O 1 ATOM 1133 C CB . PHE A 1 144 ? 18.206 7.116 47.602 1.00 24.37 ? 144 PHE A CB 1 ATOM 1134 C CG . PHE A 1 144 ? 17.062 7.669 46.807 1.00 25.77 ? 144 PHE A CG 1 ATOM 1135 C CD1 . PHE A 1 144 ? 16.119 8.494 47.412 1.00 24.36 ? 144 PHE A CD1 1 ATOM 1136 C CD2 . PHE A 1 144 ? 16.930 7.381 45.453 1.00 25.80 ? 144 PHE A CD2 1 ATOM 1137 C CE1 . PHE A 1 144 ? 15.059 9.025 46.678 1.00 24.42 ? 144 PHE A CE1 1 ATOM 1138 C CE2 . PHE A 1 144 ? 15.876 7.908 44.716 1.00 25.30 ? 144 PHE A CE2 1 ATOM 1139 C CZ . PHE A 1 144 ? 14.939 8.732 45.332 1.00 24.13 ? 144 PHE A CZ 1 ATOM 1140 N N . PRO A 1 145 ? 20.881 5.201 47.450 1.00 23.46 ? 145 PRO A N 1 ATOM 1141 C CA . PRO A 1 145 ? 22.162 4.855 48.070 1.00 24.06 ? 145 PRO A CA 1 ATOM 1142 C C . PRO A 1 145 ? 22.665 6.085 48.827 1.00 26.06 ? 145 PRO A C 1 ATOM 1143 O O . PRO A 1 145 ? 22.123 7.180 48.669 1.00 23.51 ? 145 PRO A O 1 ATOM 1144 C CB . PRO A 1 145 ? 23.050 4.525 46.867 1.00 22.97 ? 145 PRO A CB 1 ATOM 1145 C CG . PRO A 1 145 ? 22.484 5.390 45.779 1.00 20.87 ? 145 PRO A CG 1 ATOM 1146 C CD . PRO A 1 145 ? 20.998 5.215 45.979 1.00 22.29 ? 145 PRO A CD 1 ATOM 1147 N N . LYS A 1 146 ? 23.694 5.899 49.647 1.00 29.84 ? 146 LYS A N 1 ATOM 1148 C CA . LYS A 1 146 ? 24.282 7.001 50.401 1.00 33.79 ? 146 LYS A CA 1 ATOM 1149 C C . LYS A 1 146 ? 24.838 8.025 49.406 1.00 33.50 ? 146 LYS A C 1 ATOM 1150 O O . LYS A 1 146 ? 25.372 7.653 48.355 1.00 33.97 ? 146 LYS A O 1 ATOM 1151 C CB . LYS A 1 146 ? 25.409 6.469 51.312 1.00 36.56 ? 146 LYS A CB 1 ATOM 1152 C CG . LYS A 1 146 ? 26.398 7.527 51.811 1.00 40.55 ? 146 LYS A CG 1 ATOM 1153 C CD . LYS A 1 146 ? 27.421 6.975 52.820 1.00 42.50 ? 146 LYS A CD 1 ATOM 1154 C CE . LYS A 1 146 ? 28.703 6.439 52.167 1.00 44.19 ? 146 LYS A CE 1 ATOM 1155 N NZ . LYS A 1 146 ? 29.790 6.167 53.175 1.00 43.78 ? 146 LYS A NZ 1 ATOM 1156 N N . ASN A 1 147 ? 24.679 9.307 49.725 1.00 32.32 ? 147 ASN A N 1 ATOM 1157 C CA . ASN A 1 147 ? 25.192 10.385 48.884 1.00 32.90 ? 147 ASN A CA 1 ATOM 1158 C C . ASN A 1 147 ? 24.445 10.655 47.564 1.00 31.61 ? 147 ASN A C 1 ATOM 1159 O O . ASN A 1 147 ? 24.952 11.368 46.694 1.00 30.89 ? 147 ASN A O 1 ATOM 1160 C CB . ASN A 1 147 ? 26.684 10.144 48.613 1.00 35.67 ? 147 ASN A CB 1 ATOM 1161 C CG . ASN A 1 147 ? 27.525 10.155 49.896 1.00 39.82 ? 147 ASN A CG 1 ATOM 1162 O OD1 . ASN A 1 147 ? 28.647 9.634 49.928 1.00 40.20 ? 147 ASN A OD1 1 ATOM 1163 N ND2 . ASN A 1 147 ? 26.985 10.762 50.956 1.00 40.14 ? 147 ASN A ND2 1 ATOM 1164 N N . ASP A 1 148 ? 23.246 10.096 47.418 1.00 28.40 ? 148 ASP A N 1 ATOM 1165 C CA . ASP A 1 148 ? 22.442 10.323 46.222 1.00 26.25 ? 148 ASP A CA 1 ATOM 1166 C C . ASP A 1 148 ? 21.806 11.693 46.426 1.00 25.59 ? 148 ASP A C 1 ATOM 1167 O O . ASP A 1 148 ? 21.199 11.944 47.465 1.00 25.27 ? 148 ASP A O 1 ATOM 1168 C CB . ASP A 1 148 ? 21.330 9.264 46.105 1.00 25.20 ? 148 ASP A CB 1 ATOM 1169 C CG . ASP A 1 148 ? 20.637 9.278 44.742 1.00 24.58 ? 148 ASP A CG 1 ATOM 1170 O OD1 . ASP A 1 148 ? 20.219 10.363 44.282 1.00 20.88 ? 148 ASP A OD1 1 ATOM 1171 O OD2 . ASP A 1 148 ? 20.506 8.193 44.129 1.00 26.15 ? 148 ASP A OD2 1 ATOM 1172 N N . PRO A 1 149 ? 21.939 12.603 45.450 1.00 25.97 ? 149 PRO A N 1 ATOM 1173 C CA . PRO A 1 149 ? 21.311 13.907 45.688 1.00 25.91 ? 149 PRO A CA 1 ATOM 1174 C C . PRO A 1 149 ? 19.784 13.912 45.842 1.00 26.35 ? 149 PRO A C 1 ATOM 1175 O O . PRO A 1 149 ? 19.226 14.865 46.388 1.00 27.69 ? 149 PRO A O 1 ATOM 1176 C CB . PRO A 1 149 ? 21.804 14.767 44.517 1.00 25.29 ? 149 PRO A CB 1 ATOM 1177 C CG . PRO A 1 149 ? 22.265 13.776 43.483 1.00 26.82 ? 149 PRO A CG 1 ATOM 1178 C CD . PRO A 1 149 ? 22.829 12.632 44.276 1.00 26.01 ? 149 PRO A CD 1 ATOM 1179 N N . LYS A 1 150 ? 19.105 12.861 45.384 1.00 24.21 ? 150 LYS A N 1 ATOM 1180 C CA . LYS A 1 150 ? 17.652 12.811 45.520 1.00 23.91 ? 150 LYS A CA 1 ATOM 1181 C C . LYS A 1 150 ? 17.212 12.629 46.969 1.00 23.65 ? 150 LYS A C 1 ATOM 1182 O O . LYS A 1 150 ? 16.065 12.904 47.322 1.00 21.93 ? 150 LYS A O 1 ATOM 1183 C CB . LYS A 1 150 ? 17.066 11.708 44.641 1.00 24.15 ? 150 LYS A CB 1 ATOM 1184 C CG . LYS A 1 150 ? 16.827 12.177 43.225 1.00 23.59 ? 150 LYS A CG 1 ATOM 1185 C CD . LYS A 1 150 ? 16.321 11.069 42.328 1.00 24.14 ? 150 LYS A CD 1 ATOM 1186 C CE . LYS A 1 150 ? 16.266 11.533 40.871 1.00 23.37 ? 150 LYS A CE 1 ATOM 1187 N NZ . LYS A 1 150 ? 15.383 12.708 40.682 1.00 20.64 ? 150 LYS A NZ 1 ATOM 1188 N N . LEU A 1 151 ? 18.129 12.158 47.803 1.00 24.48 ? 151 LEU A N 1 ATOM 1189 C CA . LEU A 1 151 ? 17.859 11.974 49.227 1.00 26.42 ? 151 LEU A CA 1 ATOM 1190 C C . LEU A 1 151 ? 17.553 13.321 49.879 1.00 27.39 ? 151 LEU A C 1 ATOM 1191 O O . LEU A 1 151 ? 16.639 13.451 50.694 1.00 27.46 ? 151 LEU A O 1 ATOM 1192 C CB . LEU A 1 151 ? 19.087 11.392 49.919 1.00 25.24 ? 151 LEU A CB 1 ATOM 1193 C CG . LEU A 1 151 ? 19.259 9.889 50.045 1.00 25.09 ? 151 LEU A CG 1 ATOM 1194 C CD1 . LEU A 1 151 ? 20.680 9.595 50.500 1.00 24.51 ? 151 LEU A CD1 1 ATOM 1195 C CD2 . LEU A 1 151 ? 18.246 9.348 51.028 1.00 22.40 ? 151 LEU A CD2 1 ATOM 1196 N N . LYS A 1 152 ? 18.352 14.312 49.510 1.00 28.46 ? 152 LYS A N 1 ATOM 1197 C CA . LYS A 1 152 ? 18.254 15.667 50.036 1.00 31.94 ? 152 LYS A CA 1 ATOM 1198 C C . LYS A 1 152 ? 17.001 16.399 49.621 1.00 32.46 ? 152 LYS A C 1 ATOM 1199 O O . LYS A 1 152 ? 16.521 17.305 50.306 1.00 33.53 ? 152 LYS A O 1 ATOM 1200 C CB . LYS A 1 152 ? 19.442 16.494 49.528 1.00 32.83 ? 152 LYS A CB 1 ATOM 1201 C CG . LYS A 1 152 ? 20.789 16.061 50.056 1.00 36.95 ? 152 LYS A CG 1 ATOM 1202 C CD . LYS A 1 152 ? 21.918 16.938 49.527 1.00 39.80 ? 152 LYS A CD 1 ATOM 1203 C CE . LYS A 1 152 ? 23.164 16.757 50.394 1.00 42.37 ? 152 LYS A CE 1 ATOM 1204 N NZ . LYS A 1 152 ? 24.308 17.663 50.046 1.00 44.66 ? 152 LYS A NZ 1 ATOM 1205 N N . THR A 1 153 ? 16.448 15.947 48.513 1.00 33.01 ? 153 THR A N 1 ATOM 1206 C CA . THR A 1 153 ? 15.369 16.645 47.875 1.00 32.81 ? 153 THR A CA 1 ATOM 1207 C C . THR A 1 153 ? 14.059 15.914 47.583 1.00 33.44 ? 153 THR A C 1 ATOM 1208 O O . THR A 1 153 ? 13.022 16.553 47.398 1.00 34.35 ? 153 THR A O 1 ATOM 1209 C CB . THR A 1 153 ? 16.004 17.202 46.592 1.00 32.65 ? 153 THR A CB 1 ATOM 1210 O OG1 . THR A 1 153 ? 16.256 18.602 46.747 1.00 34.14 ? 153 THR A OG1 1 ATOM 1211 C CG2 . THR A 1 153 ? 15.191 16.893 45.397 1.00 31.67 ? 153 THR A CG2 1 ATOM 1212 N N . GLN A 1 154 ? 14.101 14.585 47.561 1.00 32.88 ? 154 GLN A N 1 ATOM 1213 C CA . GLN A 1 154 ? 12.920 13.801 47.234 1.00 33.29 ? 154 GLN A CA 1 ATOM 1214 C C . GLN A 1 154 ? 12.369 12.887 48.312 1.00 33.81 ? 154 GLN A C 1 ATOM 1215 O O . GLN A 1 154 ? 11.155 12.772 48.468 1.00 36.79 ? 154 GLN A O 1 ATOM 1216 C CB . GLN A 1 154 ? 13.185 12.979 45.970 1.00 32.09 ? 154 GLN A CB 1 ATOM 1217 C CG . GLN A 1 154 ? 12.832 13.720 44.709 1.00 31.61 ? 154 GLN A CG 1 ATOM 1218 C CD . GLN A 1 154 ? 13.010 12.887 43.462 1.00 31.48 ? 154 GLN A CD 1 ATOM 1219 O OE1 . GLN A 1 154 ? 12.567 11.739 43.389 1.00 31.30 ? 154 GLN A OE1 1 ATOM 1220 N NE2 . GLN A 1 154 ? 13.644 13.472 42.461 1.00 30.05 ? 154 GLN A NE2 1 ATOM 1221 N N . GLY A 1 155 ? 13.253 12.230 49.048 1.00 32.75 ? 155 GLY A N 1 ATOM 1222 C CA . GLY A 1 155 ? 12.807 11.322 50.087 1.00 31.53 ? 155 GLY A CA 1 ATOM 1223 C C . GLY A 1 155 ? 13.814 10.202 50.227 1.00 31.48 ? 155 GLY A C 1 ATOM 1224 O O . GLY A 1 155 ? 14.981 10.361 49.854 1.00 29.61 ? 155 GLY A O 1 ATOM 1225 N N . LYS A 1 156 ? 13.375 9.063 50.751 1.00 30.59 ? 156 LYS A N 1 ATOM 1226 C CA . LYS A 1 156 ? 14.281 7.939 50.922 1.00 30.55 ? 156 LYS A CA 1 ATOM 1227 C C . LYS A 1 156 ? 14.240 6.923 49.787 1.00 28.16 ? 156 LYS A C 1 ATOM 1228 O O . LYS A 1 156 ? 15.152 6.104 49.654 1.00 26.87 ? 156 LYS A O 1 ATOM 1229 C CB . LYS A 1 156 ? 13.999 7.224 52.249 1.00 34.14 ? 156 LYS A CB 1 ATOM 1230 C CG . LYS A 1 156 ? 14.434 8.011 53.482 1.00 39.56 ? 156 LYS A CG 1 ATOM 1231 C CD . LYS A 1 156 ? 15.036 7.085 54.532 1.00 42.94 ? 156 LYS A CD 1 ATOM 1232 C CE . LYS A 1 156 ? 15.957 7.845 55.484 1.00 45.78 ? 156 LYS A CE 1 ATOM 1233 N NZ . LYS A 1 156 ? 16.740 6.918 56.356 1.00 47.38 ? 156 LYS A NZ 1 ATOM 1234 N N . CYS A 1 157 ? 13.206 6.990 48.954 1.00 24.99 ? 157 CYS A N 1 ATOM 1235 C CA . CYS A 1 157 ? 13.058 6.021 47.877 1.00 24.33 ? 157 CYS A CA 1 ATOM 1236 C C . CYS A 1 157 ? 12.157 6.496 46.753 1.00 23.41 ? 157 CYS A C 1 ATOM 1237 O O . CYS A 1 157 ? 11.530 7.551 46.826 1.00 22.27 ? 157 CYS A O 1 ATOM 1238 C CB . CYS A 1 157 ? 12.435 4.740 48.427 1.00 24.60 ? 157 CYS A CB 1 ATOM 1239 S SG . CYS A 1 157 ? 10.648 4.928 48.754 1.00 27.81 ? 157 CYS A SG 1 ATOM 1240 N N . MET A 1 158 ? 12.108 5.684 45.708 1.00 23.14 ? 158 MET A N 1 ATOM 1241 C CA . MET A 1 158 ? 11.235 5.928 44.581 1.00 22.04 ? 158 MET A CA 1 ATOM 1242 C C . MET A 1 158 ? 10.234 4.791 44.694 1.00 21.79 ? 158 MET A C 1 ATOM 1243 O O . MET A 1 158 ? 10.624 3.625 44.825 1.00 19.86 ? 158 MET A O 1 ATOM 1244 C CB . MET A 1 158 ? 11.985 5.798 43.256 1.00 24.45 ? 158 MET A CB 1 ATOM 1245 C CG . MET A 1 158 ? 12.684 7.054 42.794 1.00 27.50 ? 158 MET A CG 1 ATOM 1246 S SD . MET A 1 158 ? 13.608 6.759 41.276 1.00 29.32 ? 158 MET A SD 1 ATOM 1247 C CE . MET A 1 158 ? 14.715 8.115 41.337 1.00 29.52 ? 158 MET A CE 1 ATOM 1248 N N . PRO A 1 159 ? 8.933 5.111 44.706 1.00 20.42 ? 159 PRO A N 1 ATOM 1249 C CA . PRO A 1 159 ? 7.961 4.020 44.800 1.00 20.33 ? 159 PRO A CA 1 ATOM 1250 C C . PRO A 1 159 ? 8.001 3.186 43.518 1.00 19.94 ? 159 PRO A C 1 ATOM 1251 O O . PRO A 1 159 ? 8.268 3.702 42.430 1.00 18.16 ? 159 PRO A O 1 ATOM 1252 C CB . PRO A 1 159 ? 6.631 4.747 45.006 1.00 20.13 ? 159 PRO A CB 1 ATOM 1253 C CG . PRO A 1 159 ? 6.873 6.105 44.388 1.00 21.85 ? 159 PRO A CG 1 ATOM 1254 C CD . PRO A 1 159 ? 8.279 6.423 44.824 1.00 20.03 ? 159 PRO A CD 1 ATOM 1255 N N . PHE A 1 160 ? 7.742 1.893 43.665 1.00 19.22 ? 160 PHE A N 1 ATOM 1256 C CA . PHE A 1 160 ? 7.769 0.953 42.551 1.00 18.52 ? 160 PHE A CA 1 ATOM 1257 C C . PHE A 1 160 ? 6.836 -0.197 42.908 1.00 18.15 ? 160 PHE A C 1 ATOM 1258 O O . PHE A 1 160 ? 6.929 -0.758 43.993 1.00 17.11 ? 160 PHE A O 1 ATOM 1259 C CB . PHE A 1 160 ? 9.201 0.447 42.371 1.00 18.28 ? 160 PHE A CB 1 ATOM 1260 C CG . PHE A 1 160 ? 9.365 -0.595 41.302 1.00 18.82 ? 160 PHE A CG 1 ATOM 1261 C CD1 . PHE A 1 160 ? 9.851 -0.249 40.045 1.00 18.42 ? 160 PHE A CD1 1 ATOM 1262 C CD2 . PHE A 1 160 ? 9.098 -1.935 41.570 1.00 19.21 ? 160 PHE A CD2 1 ATOM 1263 C CE1 . PHE A 1 160 ? 10.077 -1.224 39.070 1.00 19.52 ? 160 PHE A CE1 1 ATOM 1264 C CE2 . PHE A 1 160 ? 9.318 -2.918 40.603 1.00 18.92 ? 160 PHE A CE2 1 ATOM 1265 C CZ . PHE A 1 160 ? 9.810 -2.561 39.353 1.00 16.98 ? 160 PHE A CZ 1 ATOM 1266 N N . PHE A 1 161 ? 5.933 -0.539 41.998 1.00 19.13 ? 161 PHE A N 1 ATOM 1267 C CA . PHE A 1 161 ? 4.985 -1.616 42.246 1.00 20.38 ? 161 PHE A CA 1 ATOM 1268 C C . PHE A 1 161 ? 5.227 -2.789 41.325 1.00 19.36 ? 161 PHE A C 1 ATOM 1269 O O . PHE A 1 161 ? 5.452 -2.612 40.130 1.00 18.73 ? 161 PHE A O 1 ATOM 1270 C CB . PHE A 1 161 ? 3.555 -1.105 42.075 1.00 22.59 ? 161 PHE A CB 1 ATOM 1271 C CG . PHE A 1 161 ? 3.190 -0.043 43.055 1.00 26.14 ? 161 PHE A CG 1 ATOM 1272 C CD1 . PHE A 1 161 ? 3.287 1.300 42.716 1.00 27.80 ? 161 PHE A CD1 1 ATOM 1273 C CD2 . PHE A 1 161 ? 2.800 -0.386 44.345 1.00 26.69 ? 161 PHE A CD2 1 ATOM 1274 C CE1 . PHE A 1 161 ? 3.000 2.291 43.653 1.00 28.82 ? 161 PHE A CE1 1 ATOM 1275 C CE2 . PHE A 1 161 ? 2.513 0.594 45.285 1.00 28.20 ? 161 PHE A CE2 1 ATOM 1276 C CZ . PHE A 1 161 ? 2.614 1.936 44.938 1.00 27.76 ? 161 PHE A CZ 1 ATOM 1277 N N . ARG A 1 162 ? 5.171 -3.988 41.893 1.00 18.09 ? 162 ARG A N 1 ATOM 1278 C CA . ARG A 1 162 ? 5.405 -5.209 41.140 1.00 17.36 ? 162 ARG A CA 1 ATOM 1279 C C . ARG A 1 162 ? 4.429 -5.385 39.989 1.00 18.11 ? 162 ARG A C 1 ATOM 1280 O O . ARG A 1 162 ? 3.294 -4.912 40.048 1.00 18.78 ? 162 ARG A O 1 ATOM 1281 C CB . ARG A 1 162 ? 5.344 -6.413 42.074 1.00 16.61 ? 162 ARG A CB 1 ATOM 1282 C CG . ARG A 1 162 ? 6.359 -6.356 43.190 1.00 15.97 ? 162 ARG A CG 1 ATOM 1283 C CD . ARG A 1 162 ? 6.606 -7.733 43.765 1.00 17.09 ? 162 ARG A CD 1 ATOM 1284 N NE . ARG A 1 162 ? 7.288 -8.611 42.815 1.00 17.99 ? 162 ARG A NE 1 ATOM 1285 C CZ . ARG A 1 162 ? 7.484 -9.910 43.022 1.00 17.43 ? 162 ARG A CZ 1 ATOM 1286 N NH1 . ARG A 1 162 ? 7.044 -10.472 44.142 1.00 15.18 ? 162 ARG A NH1 1 ATOM 1287 N NH2 . ARG A 1 162 ? 8.119 -10.643 42.116 1.00 14.26 ? 162 ARG A NH2 1 ATOM 1288 N N . ALA A 1 163 ? 4.882 -6.068 38.942 1.00 17.87 ? 163 ALA A N 1 ATOM 1289 C CA . ALA A 1 163 ? 4.062 -6.300 37.759 1.00 18.87 ? 163 ALA A CA 1 ATOM 1290 C C . ALA A 1 163 ? 3.000 -7.371 37.978 1.00 19.50 ? 163 ALA A C 1 ATOM 1291 O O . ALA A 1 163 ? 3.197 -8.311 38.751 1.00 18.10 ? 163 ALA A O 1 ATOM 1292 C CB . ALA A 1 163 ? 4.946 -6.681 36.583 1.00 16.66 ? 163 ALA A CB 1 ATOM 1293 N N . GLY A 1 164 ? 1.871 -7.210 37.294 1.00 21.54 ? 164 GLY A N 1 ATOM 1294 C CA . GLY A 1 164 ? 0.785 -8.164 37.405 1.00 24.01 ? 164 GLY A CA 1 ATOM 1295 C C . GLY A 1 164 ? 1.205 -9.558 36.971 1.00 27.01 ? 164 GLY A C 1 ATOM 1296 O O . GLY A 1 164 ? 2.150 -9.717 36.187 1.00 24.89 ? 164 GLY A O 1 ATOM 1297 N N . PHE A 1 165 ? 0.494 -10.566 37.477 1.00 28.68 ? 165 PHE A N 1 ATOM 1298 C CA . PHE A 1 165 ? 0.791 -11.964 37.168 1.00 31.78 ? 165 PHE A CA 1 ATOM 1299 C C . PHE A 1 165 ? -0.479 -12.840 36.936 1.00 33.34 ? 165 PHE A C 1 ATOM 1300 O O . PHE A 1 165 ? -1.583 -12.458 37.353 1.00 32.44 ? 165 PHE A O 1 ATOM 1301 C CB . PHE A 1 165 ? 1.643 -12.557 38.300 1.00 31.39 ? 165 PHE A CB 1 ATOM 1302 C CG . PHE A 1 165 ? 1.010 -12.448 39.670 1.00 32.90 ? 165 PHE A CG 1 ATOM 1303 C CD1 . PHE A 1 165 ? 0.537 -13.585 40.319 1.00 32.92 ? 165 PHE A CD1 1 ATOM 1304 C CD2 . PHE A 1 165 ? 0.873 -11.210 40.303 1.00 32.83 ? 165 PHE A CD2 1 ATOM 1305 C CE1 . PHE A 1 165 ? -0.063 -13.497 41.570 1.00 32.49 ? 165 PHE A CE1 1 ATOM 1306 C CE2 . PHE A 1 165 ? 0.271 -11.112 41.561 1.00 32.49 ? 165 PHE A CE2 1 ATOM 1307 C CZ . PHE A 1 165 ? -0.198 -12.258 42.192 1.00 32.34 ? 165 PHE A CZ 1 ATOM 1308 N N . VAL A 1 166 ? -0.348 -14.010 36.259 1.00 36.35 ? 166 VAL A N 1 ATOM 1309 C CA . VAL A 1 166 ? -1.467 -14.956 35.871 1.00 40.01 ? 166 VAL A CA 1 ATOM 1310 C C . VAL A 1 166 ? -2.023 -15.855 36.976 1.00 44.06 ? 166 VAL A C 1 ATOM 1311 O O . VAL A 1 166 ? -1.530 -15.845 38.098 1.00 44.83 ? 166 VAL A O 1 ATOM 1312 C CB . VAL A 1 166 ? -1.043 -15.762 34.658 1.00 38.73 ? 166 VAL A CB 1 ATOM 1313 C CG1 . VAL A 1 166 ? -0.714 -14.847 33.499 1.00 38.17 ? 166 VAL A CG1 1 ATOM 1314 C CG2 . VAL A 1 166 ? 0.148 -16.638 35.012 1.00 38.64 ? 166 VAL A CG2 1 ATOM 1315 N N . CYS A 1 167 ? -3.098 -16.621 36.664 1.00 50.49 ? 167 CYS A N 1 ATOM 1316 C CA . CYS A 1 167 ? -3.792 -17.253 37.765 1.00 55.58 ? 167 CYS A CA 1 ATOM 1317 C C . CYS A 1 167 ? -4.174 -15.940 38.587 1.00 57.42 ? 167 CYS A C 1 ATOM 1318 O O . CYS A 1 167 ? -4.443 -14.996 37.856 1.00 57.54 ? 167 CYS A O 1 ATOM 1319 C CB . CYS A 1 167 ? -2.937 -18.421 38.312 1.00 57.74 ? 167 CYS A CB 1 ATOM 1320 S SG . CYS A 1 167 ? -2.618 -19.748 37.108 1.00 63.60 ? 167 CYS A SG 1 ATOM 1321 N N . PRO A 1 168 ? -4.265 -15.652 39.955 1.00 59.24 ? 168 PRO A N 1 ATOM 1322 C CA . PRO A 1 168 ? -4.789 -14.239 40.472 1.00 60.90 ? 168 PRO A CA 1 ATOM 1323 C C . PRO A 1 168 ? -4.096 -12.911 40.041 1.00 62.28 ? 168 PRO A C 1 ATOM 1324 O O . PRO A 1 168 ? -3.628 -12.742 38.917 1.00 61.63 ? 168 PRO A O 1 ATOM 1325 C CB . PRO A 1 168 ? -4.804 -14.388 41.973 1.00 60.96 ? 168 PRO A CB 1 ATOM 1326 C CG . PRO A 1 168 ? -5.298 -15.766 42.148 1.00 62.10 ? 168 PRO A CG 1 ATOM 1327 C CD . PRO A 1 168 ? -4.957 -16.565 40.933 1.00 60.41 ? 168 PRO A CD 1 ATOM 1328 N N . THR A 1 169 ? -4.094 -11.998 41.043 1.00 65.66 ? 169 THR A N 1 ATOM 1329 C CA . THR A 1 169 ? -3.422 -10.684 41.184 1.00 68.76 ? 169 THR A CA 1 ATOM 1330 C C . THR A 1 169 ? -3.554 -10.443 42.701 1.00 71.08 ? 169 THR A C 1 ATOM 1331 O O . THR A 1 169 ? -2.803 -9.637 43.261 1.00 71.64 ? 169 THR A O 1 ATOM 1332 C CB . THR A 1 169 ? -3.928 -9.590 40.257 1.00 68.66 ? 169 THR A CB 1 ATOM 1333 O OG1 . THR A 1 169 ? -3.154 -9.600 39.038 1.00 69.38 ? 169 THR A OG1 1 ATOM 1334 C CG2 . THR A 1 169 ? -3.825 -8.226 40.934 1.00 69.51 ? 169 THR A CG2 1 ATOM 1335 N N . PRO A 1 170 ? -4.533 -11.140 43.398 1.00 73.08 ? 170 PRO A N 1 ATOM 1336 C CA . PRO A 1 170 ? -4.485 -11.159 44.911 1.00 74.80 ? 170 PRO A CA 1 ATOM 1337 C C . PRO A 1 170 ? -3.115 -11.720 45.376 1.00 76.09 ? 170 PRO A C 1 ATOM 1338 O O . PRO A 1 170 ? -2.177 -11.784 44.587 1.00 76.91 ? 170 PRO A O 1 ATOM 1339 C CB . PRO A 1 170 ? -5.717 -11.945 45.363 1.00 74.82 ? 170 PRO A CB 1 ATOM 1340 C CG . PRO A 1 170 ? -6.716 -11.437 44.378 1.00 73.86 ? 170 PRO A CG 1 ATOM 1341 C CD . PRO A 1 170 ? -6.000 -10.950 43.143 1.00 73.19 ? 170 PRO A CD 1 ATOM 1342 N N . PRO A 1 171 ? -2.970 -12.120 46.686 1.00 76.69 ? 171 PRO A N 1 ATOM 1343 C CA . PRO A 1 171 ? -1.665 -12.755 47.096 1.00 77.00 ? 171 PRO A CA 1 ATOM 1344 C C . PRO A 1 171 ? -1.186 -13.954 46.257 1.00 77.50 ? 171 PRO A C 1 ATOM 1345 O O . PRO A 1 171 ? -0.195 -13.857 45.542 1.00 77.49 ? 171 PRO A O 1 ATOM 1346 C CB . PRO A 1 171 ? -1.853 -12.986 48.586 1.00 76.86 ? 171 PRO A CB 1 ATOM 1347 C CG . PRO A 1 171 ? -2.593 -11.747 48.966 1.00 76.67 ? 171 PRO A CG 1 ATOM 1348 C CD . PRO A 1 171 ? -3.334 -11.204 47.766 1.00 76.66 ? 171 PRO A CD 1 ATOM 1349 N N . TYR A 1 172 ? -1.887 -15.072 46.352 1.00 77.70 ? 172 TYR A N 1 ATOM 1350 C CA . TYR A 1 172 ? -1.621 -16.353 45.678 1.00 77.84 ? 172 TYR A CA 1 ATOM 1351 C C . TYR A 1 172 ? -0.385 -17.098 46.258 1.00 77.44 ? 172 TYR A C 1 ATOM 1352 O O . TYR A 1 172 ? 0.152 -16.665 47.272 1.00 77.69 ? 172 TYR A O 1 ATOM 1353 C CB . TYR A 1 172 ? -1.595 -16.201 44.154 1.00 78.19 ? 172 TYR A CB 1 ATOM 1354 C CG . TYR A 1 172 ? -1.925 -17.507 43.449 1.00 79.55 ? 172 TYR A CG 1 ATOM 1355 C CD1 . TYR A 1 172 ? -3.109 -18.217 43.708 1.00 79.66 ? 172 TYR A CD1 1 ATOM 1356 C CD2 . TYR A 1 172 ? -1.029 -18.035 42.531 1.00 80.09 ? 172 TYR A CD2 1 ATOM 1357 C CE1 . TYR A 1 172 ? -3.382 -19.426 43.055 1.00 80.29 ? 172 TYR A CE1 1 ATOM 1358 C CE2 . TYR A 1 172 ? -1.286 -19.231 41.882 1.00 80.61 ? 172 TYR A CE2 1 ATOM 1359 C CZ . TYR A 1 172 ? -2.458 -19.925 42.142 1.00 80.57 ? 172 TYR A CZ 1 ATOM 1360 O OH . TYR A 1 172 ? -2.698 -21.113 41.508 1.00 79.97 ? 172 TYR A OH 1 ATOM 1361 N N . GLN A 1 173 ? 0.075 -18.200 45.602 1.00 76.29 ? 173 GLN A N 1 ATOM 1362 C CA . GLN A 1 173 ? 1.170 -18.962 46.279 1.00 74.14 ? 173 GLN A CA 1 ATOM 1363 C C . GLN A 1 173 ? 2.021 -20.047 45.494 1.00 72.19 ? 173 GLN A C 1 ATOM 1364 O O . GLN A 1 173 ? 3.223 -19.899 45.308 1.00 71.92 ? 173 GLN A O 1 ATOM 1365 C CB . GLN A 1 173 ? 0.534 -19.623 47.514 1.00 74.67 ? 173 GLN A CB 1 ATOM 1366 C CG . GLN A 1 173 ? -0.525 -20.656 47.206 1.00 74.69 ? 173 GLN A CG 1 ATOM 1367 C CD . GLN A 1 173 ? -1.700 -20.636 48.178 1.00 74.80 ? 173 GLN A CD 1 ATOM 1368 O OE1 . GLN A 1 173 ? -1.857 -21.551 48.971 1.00 74.87 ? 173 GLN A OE1 1 ATOM 1369 N NE2 . GLN A 1 173 ? -2.629 -19.694 48.285 1.00 74.72 ? 173 GLN A NE2 1 ATOM 1370 N N . SER A 1 174 ? 1.320 -21.092 45.053 1.00 69.44 ? 174 SER A N 1 ATOM 1371 C CA . SER A 1 174 ? 1.812 -22.327 44.404 1.00 66.17 ? 174 SER A CA 1 ATOM 1372 C C . SER A 1 174 ? 3.019 -22.517 43.440 1.00 63.69 ? 174 SER A C 1 ATOM 1373 O O . SER A 1 174 ? 4.066 -23.041 43.845 1.00 64.71 ? 174 SER A O 1 ATOM 1374 C CB . SER A 1 174 ? 0.598 -22.993 43.760 1.00 66.43 ? 174 SER A CB 1 ATOM 1375 O OG . SER A 1 174 ? -0.600 -22.602 44.423 1.00 65.46 ? 174 SER A OG 1 ATOM 1376 N N . LEU A 1 175 ? 2.811 -22.220 42.153 1.00 59.63 ? 175 LEU A N 1 ATOM 1377 C CA . LEU A 1 175 ? 3.840 -22.372 41.100 1.00 53.86 ? 175 LEU A CA 1 ATOM 1378 C C . LEU A 1 175 ? 4.557 -21.023 40.904 1.00 48.78 ? 175 LEU A C 1 ATOM 1379 O O . LEU A 1 175 ? 4.075 -19.999 41.384 1.00 50.81 ? 175 LEU A O 1 ATOM 1380 C CB . LEU A 1 175 ? 3.144 -22.773 39.797 1.00 53.77 ? 175 LEU A CB 1 ATOM 1381 C CG . LEU A 1 175 ? 3.707 -23.582 38.628 1.00 53.99 ? 175 LEU A CG 1 ATOM 1382 C CD1 . LEU A 1 175 ? 2.867 -23.218 37.401 1.00 53.57 ? 175 LEU A CD1 1 ATOM 1383 C CD2 . LEU A 1 175 ? 5.170 -23.290 38.362 1.00 54.17 ? 175 LEU A CD2 1 ATOM 1384 N N . ALA A 1 176 ? 5.687 -21.006 40.198 1.00 41.30 ? 176 ALA A N 1 ATOM 1385 C CA . ALA A 1 176 ? 6.428 -19.752 39.986 1.00 35.84 ? 176 ALA A CA 1 ATOM 1386 C C . ALA A 1 176 ? 5.581 -18.646 39.355 1.00 31.56 ? 176 ALA A C 1 ATOM 1387 O O . ALA A 1 176 ? 4.727 -18.901 38.510 1.00 32.04 ? 176 ALA A O 1 ATOM 1388 C CB . ALA A 1 176 ? 7.669 -20.001 39.137 1.00 34.87 ? 176 ALA A CB 1 ATOM 1389 N N . ARG A 1 177 ? 5.835 -17.416 39.782 1.00 27.21 ? 177 ARG A N 1 ATOM 1390 C CA . ARG A 1 177 ? 5.124 -16.229 39.308 1.00 24.53 ? 177 ARG A CA 1 ATOM 1391 C C . ARG A 1 177 ? 5.414 -15.899 37.837 1.00 23.05 ? 177 ARG A C 1 ATOM 1392 O O . ARG A 1 177 ? 6.566 -15.704 37.456 1.00 21.54 ? 177 ARG A O 1 ATOM 1393 C CB . ARG A 1 177 ? 5.528 -15.061 40.199 1.00 24.44 ? 177 ARG A CB 1 ATOM 1394 C CG . ARG A 1 177 ? 4.828 -13.753 39.962 1.00 24.59 ? 177 ARG A CG 1 ATOM 1395 C CD . ARG A 1 177 ? 4.686 -13.088 41.311 1.00 26.93 ? 177 ARG A CD 1 ATOM 1396 N NE . ARG A 1 177 ? 4.401 -11.665 41.234 1.00 29.73 ? 177 ARG A NE 1 ATOM 1397 C CZ . ARG A 1 177 ? 3.892 -10.966 42.241 1.00 28.84 ? 177 ARG A CZ 1 ATOM 1398 N NH1 . ARG A 1 177 ? 3.612 -11.572 43.387 1.00 29.32 ? 177 ARG A NH1 1 ATOM 1399 N NH2 . ARG A 1 177 ? 3.675 -9.666 42.105 1.00 30.75 ? 177 ARG A NH2 1 ATOM 1400 N N . GLU A 1 178 ? 4.365 -15.835 37.017 1.00 22.06 ? 178 GLU A N 1 ATOM 1401 C CA . GLU A 1 178 ? 4.507 -15.528 35.593 1.00 21.07 ? 178 GLU A CA 1 ATOM 1402 C C . GLU A 1 178 ? 3.778 -14.213 35.287 1.00 20.33 ? 178 GLU A C 1 ATOM 1403 O O . GLU A 1 178 ? 2.573 -14.097 35.529 1.00 21.47 ? 178 GLU A O 1 ATOM 1404 C CB . GLU A 1 178 ? 3.920 -16.670 34.747 1.00 20.81 ? 178 GLU A CB 1 ATOM 1405 C CG . GLU A 1 178 ? 4.530 -18.059 35.016 1.00 21.55 ? 178 GLU A CG 1 ATOM 1406 C CD . GLU A 1 178 ? 6.005 -18.164 34.636 1.00 24.67 ? 178 GLU A CD 1 ATOM 1407 O OE1 . GLU A 1 178 ? 6.638 -19.191 34.975 1.00 26.66 ? 178 GLU A OE1 1 ATOM 1408 O OE2 . GLU A 1 178 ? 6.537 -17.231 33.995 1.00 25.60 ? 178 GLU A OE2 1 ATOM 1409 N N . GLN A 1 179 ? 4.497 -13.224 34.756 1.00 18.19 ? 179 GLN A N 1 ATOM 1410 C CA . GLN A 1 179 ? 3.873 -11.931 34.463 1.00 16.43 ? 179 GLN A CA 1 ATOM 1411 C C . GLN A 1 179 ? 2.945 -11.982 33.254 1.00 15.64 ? 179 GLN A C 1 ATOM 1412 O O . GLN A 1 179 ? 3.098 -12.822 32.374 1.00 17.65 ? 179 GLN A O 1 ATOM 1413 C CB . GLN A 1 179 ? 4.932 -10.836 34.266 1.00 12.71 ? 179 GLN A CB 1 ATOM 1414 C CG . GLN A 1 179 ? 5.650 -10.405 35.542 1.00 12.75 ? 179 GLN A CG 1 ATOM 1415 C CD . GLN A 1 179 ? 6.535 -11.490 36.126 1.00 12.61 ? 179 GLN A CD 1 ATOM 1416 O OE1 . GLN A 1 179 ? 7.154 -12.266 35.392 1.00 10.52 ? 179 GLN A OE1 1 ATOM 1417 N NE2 . GLN A 1 179 ? 6.616 -11.537 37.456 1.00 10.73 ? 179 GLN A NE2 1 ATOM 1418 N N . ILE A 1 180 ? 1.986 -11.068 33.221 1.00 15.23 ? 180 ILE A N 1 ATOM 1419 C CA . ILE A 1 180 ? 1.004 -10.993 32.145 1.00 17.28 ? 180 ILE A CA 1 ATOM 1420 C C . ILE A 1 180 ? 1.433 -10.086 30.980 1.00 18.34 ? 180 ILE A C 1 ATOM 1421 O O . ILE A 1 180 ? 2.154 -9.105 31.176 1.00 17.49 ? 180 ILE A O 1 ATOM 1422 C CB . ILE A 1 180 ? -0.345 -10.411 32.680 1.00 18.12 ? 180 ILE A CB 1 ATOM 1423 C CG1 . ILE A 1 180 ? -0.799 -11.163 33.933 1.00 21.05 ? 180 ILE A CG1 1 ATOM 1424 C CG2 . ILE A 1 180 ? -1.427 -10.511 31.616 1.00 20.42 ? 180 ILE A CG2 1 ATOM 1425 C CD1 . ILE A 1 180 ? -1.804 -10.379 34.786 1.00 22.61 ? 180 ILE A CD1 1 ATOM 1426 N N . ASN A 1 181 ? 1.004 -10.431 29.767 1.00 16.33 ? 181 ASN A N 1 ATOM 1427 C CA . ASN A 1 181 ? 1.236 -9.557 28.622 1.00 16.00 ? 181 ASN A CA 1 ATOM 1428 C C . ASN A 1 181 ? -0.190 -9.150 28.244 1.00 15.79 ? 181 ASN A C 1 ATOM 1429 O O . ASN A 1 181 ? -0.968 -9.965 27.754 1.00 14.32 ? 181 ASN A O 1 ATOM 1430 C CB . ASN A 1 181 ? 1.898 -10.263 27.440 1.00 14.00 ? 181 ASN A CB 1 ATOM 1431 C CG . ASN A 1 181 ? 2.108 -9.322 26.251 1.00 13.70 ? 181 ASN A CG 1 ATOM 1432 O OD1 . ASN A 1 181 ? 1.819 -8.119 26.334 1.00 13.63 ? 181 ASN A OD1 1 ATOM 1433 N ND2 . ASN A 1 181 ? 2.612 -9.865 25.141 1.00 11.07 ? 181 ASN A ND2 1 ATOM 1434 N N . ALA A 1 182 ? -0.530 -7.888 28.480 1.00 16.45 ? 182 ALA A N 1 ATOM 1435 C CA . ALA A 1 182 ? -1.877 -7.401 28.215 1.00 16.26 ? 182 ALA A CA 1 ATOM 1436 C C . ALA A 1 182 ? -2.218 -7.047 26.767 1.00 17.21 ? 182 ALA A C 1 ATOM 1437 O O . ALA A 1 182 ? -3.336 -6.607 26.501 1.00 19.06 ? 182 ALA A O 1 ATOM 1438 C CB . ALA A 1 182 ? -2.170 -6.218 29.123 1.00 14.87 ? 182 ALA A CB 1 ATOM 1439 N N . VAL A 1 183 ? -1.275 -7.210 25.838 1.00 17.16 ? 183 VAL A N 1 ATOM 1440 C CA . VAL A 1 183 ? -1.563 -6.929 24.428 1.00 14.76 ? 183 VAL A CA 1 ATOM 1441 C C . VAL A 1 183 ? -1.289 -8.187 23.609 1.00 14.64 ? 183 VAL A C 1 ATOM 1442 O O . VAL A 1 183 ? -0.721 -9.151 24.134 1.00 13.20 ? 183 VAL A O 1 ATOM 1443 C CB . VAL A 1 183 ? -0.728 -5.733 23.870 1.00 16.53 ? 183 VAL A CB 1 ATOM 1444 C CG1 . VAL A 1 183 ? -1.010 -4.481 24.693 1.00 15.21 ? 183 VAL A CG1 1 ATOM 1445 C CG2 . VAL A 1 183 ? 0.760 -6.054 23.872 1.00 12.81 ? 183 VAL A CG2 1 ATOM 1446 N N . THR A 1 184 ? -1.695 -8.187 22.336 1.00 14.80 ? 184 THR A N 1 ATOM 1447 C CA . THR A 1 184 ? -1.493 -9.347 21.465 1.00 14.85 ? 184 THR A CA 1 ATOM 1448 C C . THR A 1 184 ? -0.035 -9.486 21.008 1.00 14.52 ? 184 THR A C 1 ATOM 1449 O O . THR A 1 184 ? 0.613 -8.508 20.671 1.00 16.22 ? 184 THR A O 1 ATOM 1450 C CB . THR A 1 184 ? -2.422 -9.292 20.220 1.00 15.81 ? 184 THR A CB 1 ATOM 1451 O OG1 . THR A 1 184 ? -2.059 -8.187 19.399 1.00 17.97 ? 184 THR A OG1 1 ATOM 1452 C CG2 . THR A 1 184 ? -3.879 -9.117 20.628 1.00 13.77 ? 184 THR A CG2 1 ATOM 1453 N N . SER A 1 185 ? 0.477 -10.712 21.007 1.00 14.46 ? 185 SER A N 1 ATOM 1454 C CA . SER A 1 185 ? 1.858 -10.985 20.612 1.00 14.45 ? 185 SER A CA 1 ATOM 1455 C C . SER A 1 185 ? 2.193 -10.724 19.149 1.00 14.83 ? 185 SER A C 1 ATOM 1456 O O . SER A 1 185 ? 3.351 -10.471 18.824 1.00 16.23 ? 185 SER A O 1 ATOM 1457 C CB . SER A 1 185 ? 2.228 -12.438 20.933 1.00 13.83 ? 185 SER A CB 1 ATOM 1458 O OG . SER A 1 185 ? 2.313 -12.663 22.326 1.00 15.05 ? 185 SER A OG 1 ATOM 1459 N N . PHE A 1 186 ? 1.197 -10.813 18.271 1.00 13.23 ? 186 PHE A N 1 ATOM 1460 C CA . PHE A 1 186 ? 1.397 -10.593 16.839 1.00 12.20 ? 186 PHE A CA 1 ATOM 1461 C C . PHE A 1 186 ? 1.594 -9.129 16.500 1.00 13.69 ? 186 PHE A C 1 ATOM 1462 O O . PHE A 1 186 ? 1.078 -8.272 17.187 1.00 14.17 ? 186 PHE A O 1 ATOM 1463 C CB . PHE A 1 186 ? 0.182 -11.106 16.056 1.00 11.17 ? 186 PHE A CB 1 ATOM 1464 C CG . PHE A 1 186 ? -0.229 -12.491 16.440 1.00 11.91 ? 186 PHE A CG 1 ATOM 1465 C CD1 . PHE A 1 186 ? -1.368 -12.708 17.207 1.00 10.46 ? 186 PHE A CD1 1 ATOM 1466 C CD2 . PHE A 1 186 ? 0.572 -13.575 16.105 1.00 10.36 ? 186 PHE A CD2 1 ATOM 1467 C CE1 . PHE A 1 186 ? -1.694 -13.983 17.638 1.00 10.25 ? 186 PHE A CE1 1 ATOM 1468 C CE2 . PHE A 1 186 ? 0.256 -14.850 16.530 1.00 11.35 ? 186 PHE A CE2 1 ATOM 1469 C CZ . PHE A 1 186 ? -0.879 -15.056 17.300 1.00 11.48 ? 186 PHE A CZ 1 ATOM 1470 N N . LEU A 1 187 ? 2.360 -8.846 15.449 1.00 14.15 ? 187 LEU A N 1 ATOM 1471 C CA . LEU A 1 187 ? 2.546 -7.471 14.993 1.00 15.09 ? 187 LEU A CA 1 ATOM 1472 C C . LEU A 1 187 ? 1.247 -7.247 14.204 1.00 15.01 ? 187 LEU A C 1 ATOM 1473 O O . LEU A 1 187 ? 1.183 -7.551 13.010 1.00 14.26 ? 187 LEU A O 1 ATOM 1474 C CB . LEU A 1 187 ? 3.752 -7.374 14.051 1.00 15.59 ? 187 LEU A CB 1 ATOM 1475 C CG . LEU A 1 187 ? 4.827 -6.326 14.354 1.00 17.24 ? 187 LEU A CG 1 ATOM 1476 C CD1 . LEU A 1 187 ? 5.725 -6.148 13.149 1.00 14.83 ? 187 LEU A CD1 1 ATOM 1477 C CD2 . LEU A 1 187 ? 4.186 -5.011 14.735 1.00 17.17 ? 187 LEU A CD2 1 ATOM 1478 N N . ASP A 1 188 ? 0.229 -6.694 14.866 1.00 15.96 ? 188 ASP A N 1 ATOM 1479 C CA . ASP A 1 188 ? -1.094 -6.526 14.256 1.00 15.40 ? 188 ASP A CA 1 ATOM 1480 C C . ASP A 1 188 ? -1.807 -5.187 14.447 1.00 15.86 ? 188 ASP A C 1 ATOM 1481 O O . ASP A 1 188 ? -3.027 -5.108 14.249 1.00 14.88 ? 188 ASP A O 1 ATOM 1482 C CB . ASP A 1 188 ? -2.009 -7.622 14.802 1.00 16.59 ? 188 ASP A CB 1 ATOM 1483 C CG . ASP A 1 188 ? -2.148 -7.544 16.314 1.00 18.42 ? 188 ASP A CG 1 ATOM 1484 O OD1 . ASP A 1 188 ? -1.495 -6.655 16.898 1.00 17.28 ? 188 ASP A OD1 1 ATOM 1485 O OD2 . ASP A 1 188 ? -2.895 -8.351 16.909 1.00 16.85 ? 188 ASP A OD2 1 ATOM 1486 N N . ALA A 1 189 ? -1.069 -4.150 14.827 1.00 15.09 ? 189 ALA A N 1 ATOM 1487 C CA . ALA A 1 189 ? -1.646 -2.823 15.051 1.00 15.73 ? 189 ALA A CA 1 ATOM 1488 C C . ALA A 1 189 ? -2.597 -2.789 16.241 1.00 16.23 ? 189 ALA A C 1 ATOM 1489 O O . ALA A 1 189 ? -3.539 -1.983 16.275 1.00 16.16 ? 189 ALA A O 1 ATOM 1490 C CB . ALA A 1 189 ? -2.369 -2.357 13.793 1.00 15.03 ? 189 ALA A CB 1 ATOM 1491 N N . SER A 1 190 ? -2.372 -3.656 17.223 1.00 15.52 ? 190 SER A N 1 ATOM 1492 C CA . SER A 1 190 ? -3.245 -3.646 18.372 1.00 15.45 ? 190 SER A CA 1 ATOM 1493 C C . SER A 1 190 ? -3.058 -2.349 19.158 1.00 16.12 ? 190 SER A C 1 ATOM 1494 O O . SER A 1 190 ? -3.907 -1.998 19.970 1.00 18.26 ? 190 SER A O 1 ATOM 1495 C CB . SER A 1 190 ? -3.052 -4.881 19.238 1.00 14.94 ? 190 SER A CB 1 ATOM 1496 O OG . SER A 1 190 ? -1.698 -5.024 19.639 1.00 15.92 ? 190 SER A OG 1 ATOM 1497 N N . LEU A 1 191 ? -1.981 -1.609 18.939 1.00 15.40 ? 191 LEU A N 1 ATOM 1498 C CA . LEU A 1 191 ? -1.804 -0.339 19.643 1.00 16.07 ? 191 LEU A CA 1 ATOM 1499 C C . LEU A 1 191 ? -2.755 0.732 19.111 1.00 16.21 ? 191 LEU A C 1 ATOM 1500 O O . LEU A 1 191 ? -2.983 1.740 19.769 1.00 16.39 ? 191 LEU A O 1 ATOM 1501 C CB . LEU A 1 191 ? -0.319 0.095 19.552 1.00 17.81 ? 191 LEU A CB 1 ATOM 1502 C CG . LEU A 1 191 ? 0.145 0.905 18.328 1.00 17.40 ? 191 LEU A CG 1 ATOM 1503 C CD1 . LEU A 1 191 ? 1.448 1.619 18.634 1.00 18.25 ? 191 LEU A CD1 1 ATOM 1504 C CD2 . LEU A 1 191 ? 0.275 0.014 17.098 1.00 18.03 ? 191 LEU A CD2 1 ATOM 1505 N N . VAL A 1 192 ? -3.302 0.504 17.917 1.00 16.74 ? 192 VAL A N 1 ATOM 1506 C CA . VAL A 1 192 ? -4.253 1.419 17.297 1.00 16.14 ? 192 VAL A CA 1 ATOM 1507 C C . VAL A 1 192 ? -5.698 1.002 17.612 1.00 17.03 ? 192 VAL A C 1 ATOM 1508 O O . VAL A 1 192 ? -6.508 1.821 18.042 1.00 17.03 ? 192 VAL A O 1 ATOM 1509 C CB . VAL A 1 192 ? -4.114 1.434 15.744 1.00 16.53 ? 192 VAL A CB 1 ATOM 1510 C CG1 . VAL A 1 192 ? -5.173 2.335 15.131 1.00 15.53 ? 192 VAL A CG1 1 ATOM 1511 C CG2 . VAL A 1 192 ? -2.730 1.890 15.335 1.00 16.34 ? 192 VAL A CG2 1 ATOM 1512 N N . TYR A 1 193 ? -5.992 -0.283 17.411 1.00 16.97 ? 193 TYR A N 1 ATOM 1513 C CA . TYR A 1 193 ? -7.335 -0.836 17.585 1.00 17.02 ? 193 TYR A CA 1 ATOM 1514 C C . TYR A 1 193 ? -7.707 -1.375 18.958 1.00 17.17 ? 193 TYR A C 1 ATOM 1515 O O . TYR A 1 193 ? -8.890 -1.496 19.265 1.00 17.33 ? 193 TYR A O 1 ATOM 1516 C CB . TYR A 1 193 ? -7.560 -1.930 16.526 1.00 14.90 ? 193 TYR A CB 1 ATOM 1517 C CG . TYR A 1 193 ? -7.328 -1.428 15.116 1.00 17.06 ? 193 TYR A CG 1 ATOM 1518 C CD1 . TYR A 1 193 ? -6.171 -1.773 14.406 1.00 17.99 ? 193 TYR A CD1 1 ATOM 1519 C CD2 . TYR A 1 193 ? -8.235 -0.545 14.515 1.00 16.17 ? 193 TYR A CD2 1 ATOM 1520 C CE1 . TYR A 1 193 ? -5.926 -1.247 13.130 1.00 16.38 ? 193 TYR A CE1 1 ATOM 1521 C CE2 . TYR A 1 193 ? -7.998 -0.013 13.252 1.00 14.61 ? 193 TYR A CE2 1 ATOM 1522 C CZ . TYR A 1 193 ? -6.844 -0.366 12.563 1.00 17.36 ? 193 TYR A CZ 1 ATOM 1523 O OH . TYR A 1 193 ? -6.605 0.164 11.312 1.00 17.61 ? 193 TYR A OH 1 ATOM 1524 N N . GLY A 1 194 ? -6.710 -1.693 19.779 1.00 16.26 ? 194 GLY A N 1 ATOM 1525 C CA . GLY A 1 194 ? -6.985 -2.235 21.099 1.00 14.37 ? 194 GLY A CA 1 ATOM 1526 C C . GLY A 1 194 ? -6.757 -3.736 21.119 1.00 15.03 ? 194 GLY A C 1 ATOM 1527 O O . GLY A 1 194 ? -6.706 -4.363 20.062 1.00 16.47 ? 194 GLY A O 1 ATOM 1528 N N . SER A 1 195 ? -6.606 -4.313 22.309 1.00 14.75 ? 195 SER A N 1 ATOM 1529 C CA . SER A 1 195 ? -6.389 -5.752 22.462 1.00 17.56 ? 195 SER A CA 1 ATOM 1530 C C . SER A 1 195 ? -7.561 -6.369 23.163 1.00 19.70 ? 195 SER A C 1 ATOM 1531 O O . SER A 1 195 ? -7.614 -7.563 23.433 1.00 21.59 ? 195 SER A O 1 ATOM 1532 C CB . SER A 1 195 ? -5.088 -6.038 23.236 1.00 14.83 ? 195 SER A CB 1 ATOM 1533 O OG . SER A 1 195 ? -3.942 -5.672 22.485 1.00 15.12 ? 195 SER A OG 1 ATOM 1534 N N . GLU A 1 196 ? -8.524 -5.531 23.481 1.00 22.14 ? 196 GLU A N 1 ATOM 1535 C CA . GLU A 1 196 ? -9.753 -5.976 24.219 1.00 25.62 ? 196 GLU A CA 1 ATOM 1536 C C . GLU A 1 196 ? -11.134 -5.616 23.528 1.00 24.94 ? 196 GLU A C 1 ATOM 1537 O O . GLU A 1 196 ? -11.260 -4.531 22.969 1.00 23.33 ? 196 GLU A O 1 ATOM 1538 C CB . GLU A 1 196 ? -9.752 -5.336 25.596 1.00 28.28 ? 196 GLU A CB 1 ATOM 1539 C CG . GLU A 1 196 ? -8.990 -6.068 26.660 1.00 33.29 ? 196 GLU A CG 1 ATOM 1540 C CD . GLU A 1 196 ? -9.008 -5.247 27.943 1.00 36.31 ? 196 GLU A CD 1 ATOM 1541 O OE1 . GLU A 1 196 ? -9.071 -3.988 27.851 1.00 38.63 ? 196 GLU A OE1 1 ATOM 1542 O OE2 . GLU A 1 196 ? -8.960 -5.843 29.040 1.00 38.70 ? 196 GLU A OE2 1 ATOM 1543 N N . PRO A 1 197 ? -12.204 -6.525 23.583 1.00 25.41 ? 197 PRO A N 1 ATOM 1544 C CA . PRO A 1 197 ? -13.571 -6.282 22.917 1.00 26.12 ? 197 PRO A CA 1 ATOM 1545 C C . PRO A 1 197 ? -14.317 -4.965 23.165 1.00 26.71 ? 197 PRO A C 1 ATOM 1546 O O . PRO A 1 197 ? -14.585 -4.253 22.186 1.00 26.98 ? 197 PRO A O 1 ATOM 1547 C CB . PRO A 1 197 ? -14.335 -7.550 23.206 1.00 26.08 ? 197 PRO A CB 1 ATOM 1548 C CG . PRO A 1 197 ? -13.300 -8.581 23.058 1.00 25.75 ? 197 PRO A CG 1 ATOM 1549 C CD . PRO A 1 197 ? -11.961 -7.952 23.364 1.00 25.49 ? 197 PRO A CD 1 HETATM 1550 N N . SEP A 1 198 ? -14.684 -4.556 24.424 1.00 27.77 ? 198 SEP A N 1 HETATM 1551 C CA . SEP A 1 198 ? -14.658 -3.228 25.066 1.00 29.40 ? 198 SEP A CA 1 HETATM 1552 C CB . SEP A 1 198 ? -13.877 -3.429 26.352 1.00 30.62 ? 198 SEP A CB 1 HETATM 1553 O OG . SEP A 1 198 ? -14.455 -4.495 27.056 1.00 40.50 ? 198 SEP A OG 1 HETATM 1554 C C . SEP A 1 198 ? -13.922 -2.095 24.362 1.00 28.12 ? 198 SEP A C 1 HETATM 1555 O O . SEP A 1 198 ? -14.436 -0.979 24.211 1.00 28.48 ? 198 SEP A O 1 HETATM 1556 P P . SEP A 1 198 ? -13.792 -5.975 27.198 1.00 49.74 ? 198 SEP A P 1 HETATM 1557 O O1P . SEP A 1 198 ? -13.812 -6.688 28.641 1.00 51.49 ? 198 SEP A O1P 1 HETATM 1558 O O2P . SEP A 1 198 ? -12.288 -5.592 26.790 1.00 51.38 ? 198 SEP A O2P 1 HETATM 1559 O O3P . SEP A 1 198 ? -14.443 -6.938 26.076 1.00 50.94 ? 198 SEP A O3P 1 ATOM 1560 N N . LEU A 1 199 ? -12.591 -2.108 24.607 1.00 26.45 ? 199 LEU A N 1 ATOM 1561 C CA . LEU A 1 199 ? -11.848 -0.942 24.156 1.00 25.45 ? 199 LEU A CA 1 ATOM 1562 C C . LEU A 1 199 ? -11.979 -0.730 22.656 1.00 25.02 ? 199 LEU A C 1 ATOM 1563 O O . LEU A 1 199 ? -12.268 0.394 22.227 1.00 24.91 ? 199 LEU A O 1 ATOM 1564 C CB . LEU A 1 199 ? -10.384 -1.061 24.576 1.00 24.99 ? 199 LEU A CB 1 ATOM 1565 C CG . LEU A 1 199 ? -9.495 0.111 24.164 1.00 24.42 ? 199 LEU A CG 1 ATOM 1566 C CD1 . LEU A 1 199 ? -9.971 1.400 24.829 1.00 22.30 ? 199 LEU A CD1 1 ATOM 1567 C CD2 . LEU A 1 199 ? -8.036 -0.174 24.493 1.00 23.55 ? 199 LEU A CD2 1 ATOM 1568 N N . ALA A 1 200 ? -11.778 -1.765 21.861 1.00 22.46 ? 200 ALA A N 1 ATOM 1569 C CA . ALA A 1 200 ? -11.851 -1.692 20.406 1.00 23.43 ? 200 ALA A CA 1 ATOM 1570 C C . ALA A 1 200 ? -13.151 -1.124 19.859 1.00 25.48 ? 200 ALA A C 1 ATOM 1571 O O . ALA A 1 200 ? -13.149 -0.400 18.856 1.00 24.68 ? 200 ALA A O 1 ATOM 1572 C CB . ALA A 1 200 ? -11.612 -3.067 19.817 1.00 23.33 ? 200 ALA A CB 1 ATOM 1573 N N . SER A 1 201 ? -14.248 -1.448 20.531 1.00 25.43 ? 201 SER A N 1 ATOM 1574 C CA . SER A 1 201 ? -15.573 -0.991 20.151 1.00 27.17 ? 201 SER A CA 1 ATOM 1575 C C . SER A 1 201 ? -15.720 0.501 20.445 1.00 27.71 ? 201 SER A C 1 ATOM 1576 O O . SER A 1 201 ? -16.292 1.259 19.659 1.00 27.46 ? 201 SER A O 1 ATOM 1577 C CB . SER A 1 201 ? -16.606 -1.788 20.947 1.00 27.99 ? 201 SER A CB 1 ATOM 1578 O OG . SER A 1 201 ? -17.922 -1.525 20.518 1.00 30.92 ? 201 SER A OG 1 ATOM 1579 N N . ARG A 1 202 ? -15.168 0.894 21.586 1.00 28.26 ? 202 ARG A N 1 ATOM 1580 C CA . ARG A 1 202 ? -15.199 2.261 22.081 1.00 29.05 ? 202 ARG A CA 1 ATOM 1581 C C . ARG A 1 202 ? -14.380 3.199 21.193 1.00 27.88 ? 202 ARG A C 1 ATOM 1582 O O . ARG A 1 202 ? -14.686 4.380 21.067 1.00 28.66 ? 202 ARG A O 1 ATOM 1583 C CB . ARG A 1 202 ? -14.657 2.259 23.518 1.00 32.47 ? 202 ARG A CB 1 ATOM 1584 C CG . ARG A 1 202 ? -14.927 3.506 24.326 1.00 36.02 ? 202 ARG A CG 1 ATOM 1585 C CD . ARG A 1 202 ? -14.155 3.448 25.638 1.00 40.90 ? 202 ARG A CD 1 ATOM 1586 N NE . ARG A 1 202 ? -13.869 4.773 26.173 1.00 44.23 ? 202 ARG A NE 1 ATOM 1587 C CZ . ARG A 1 202 ? -13.143 5.017 27.260 1.00 46.62 ? 202 ARG A CZ 1 ATOM 1588 N NH1 . ARG A 1 202 ? -12.607 4.029 27.965 1.00 46.45 ? 202 ARG A NH1 1 ATOM 1589 N NH2 . ARG A 1 202 ? -12.939 6.272 27.628 1.00 47.39 ? 202 ARG A NH2 1 ATOM 1590 N N . LEU A 1 203 ? -13.338 2.668 20.568 1.00 26.57 ? 203 LEU A N 1 ATOM 1591 C CA . LEU A 1 203 ? -12.486 3.477 19.701 1.00 25.92 ? 203 LEU A CA 1 ATOM 1592 C C . LEU A 1 203 ? -13.126 3.717 18.337 1.00 25.74 ? 203 LEU A C 1 ATOM 1593 O O . LEU A 1 203 ? -12.769 4.658 17.626 1.00 25.43 ? 203 LEU A O 1 ATOM 1594 C CB . LEU A 1 203 ? -11.121 2.798 19.529 1.00 24.35 ? 203 LEU A CB 1 ATOM 1595 C CG . LEU A 1 203 ? -9.943 3.184 20.441 1.00 24.56 ? 203 LEU A CG 1 ATOM 1596 C CD1 . LEU A 1 203 ? -10.390 3.917 21.692 1.00 22.58 ? 203 LEU A CD1 1 ATOM 1597 C CD2 . LEU A 1 203 ? -9.192 1.924 20.791 1.00 23.98 ? 203 LEU A CD2 1 ATOM 1598 N N . ARG A 1 204 ? -14.093 2.877 17.990 1.00 27.27 ? 204 ARG A N 1 ATOM 1599 C CA . ARG A 1 204 ? -14.778 2.970 16.703 1.00 28.16 ? 204 ARG A CA 1 ATOM 1600 C C . ARG A 1 204 ? -15.903 3.990 16.629 1.00 28.73 ? 204 ARG A C 1 ATOM 1601 O O . ARG A 1 204 ? -16.516 4.340 17.638 1.00 26.94 ? 204 ARG A O 1 ATOM 1602 C CB . ARG A 1 204 ? -15.348 1.605 16.315 1.00 28.34 ? 204 ARG A CB 1 ATOM 1603 C CG . ARG A 1 204 ? -14.308 0.527 16.100 1.00 28.68 ? 204 ARG A CG 1 ATOM 1604 C CD . ARG A 1 204 ? -14.964 -0.771 15.662 1.00 28.04 ? 204 ARG A CD 1 ATOM 1605 N NE . ARG A 1 204 ? -15.684 -0.623 14.402 1.00 26.50 ? 204 ARG A NE 1 ATOM 1606 C CZ . ARG A 1 204 ? -16.333 -1.613 13.802 1.00 28.99 ? 204 ARG A CZ 1 ATOM 1607 N NH1 . ARG A 1 204 ? -16.348 -2.822 14.356 1.00 27.85 ? 204 ARG A NH1 1 ATOM 1608 N NH2 . ARG A 1 204 ? -16.960 -1.397 12.651 1.00 26.79 ? 204 ARG A NH2 1 ATOM 1609 N N . ASN A 1 205 ? -16.161 4.456 15.410 1.00 31.58 ? 205 ASN A N 1 ATOM 1610 C CA . ASN A 1 205 ? -17.239 5.401 15.144 1.00 34.21 ? 205 ASN A CA 1 ATOM 1611 C C . ASN A 1 205 ? -18.404 4.581 14.578 1.00 34.49 ? 205 ASN A C 1 ATOM 1612 O O . ASN A 1 205 ? -18.438 4.269 13.387 1.00 34.41 ? 205 ASN A O 1 ATOM 1613 C CB . ASN A 1 205 ? -16.797 6.441 14.117 1.00 35.34 ? 205 ASN A CB 1 ATOM 1614 C CG . ASN A 1 205 ? -17.840 7.516 13.899 1.00 37.85 ? 205 ASN A CG 1 ATOM 1615 O OD1 . ASN A 1 205 ? -18.987 7.380 14.322 1.00 37.28 ? 205 ASN A OD1 1 ATOM 1616 N ND2 . ASN A 1 205 ? -17.446 8.588 13.229 1.00 40.19 ? 205 ASN A ND2 1 ATOM 1617 N N . LEU A 1 206 ? -19.355 4.232 15.436 1.00 35.05 ? 206 LEU A N 1 ATOM 1618 C CA . LEU A 1 206 ? -20.490 3.424 15.019 1.00 37.20 ? 206 LEU A CA 1 ATOM 1619 C C . LEU A 1 206 ? -21.769 4.226 14.781 1.00 39.93 ? 206 LEU A C 1 ATOM 1620 O O . LEU A 1 206 ? -22.855 3.657 14.674 1.00 41.21 ? 206 LEU A O 1 ATOM 1621 C CB . LEU A 1 206 ? -20.749 2.336 16.057 1.00 35.36 ? 206 LEU A CB 1 ATOM 1622 C CG . LEU A 1 206 ? -19.566 1.462 16.480 1.00 34.15 ? 206 LEU A CG 1 ATOM 1623 C CD1 . LEU A 1 206 ? -20.047 0.485 17.538 1.00 33.00 ? 206 LEU A CD1 1 ATOM 1624 C CD2 . LEU A 1 206 ? -18.985 0.721 15.285 1.00 34.10 ? 206 LEU A CD2 1 ATOM 1625 N N . SER A 1 207 ? -21.643 5.547 14.712 1.00 43.19 ? 207 SER A N 1 ATOM 1626 C CA . SER A 1 207 ? -22.796 6.395 14.448 1.00 45.65 ? 207 SER A CA 1 ATOM 1627 C C . SER A 1 207 ? -23.020 6.321 12.937 1.00 46.64 ? 207 SER A C 1 ATOM 1628 O O . SER A 1 207 ? -24.154 6.248 12.469 1.00 48.36 ? 207 SER A O 1 ATOM 1629 C CB . SER A 1 207 ? -22.512 7.840 14.874 1.00 46.28 ? 207 SER A CB 1 ATOM 1630 O OG . SER A 1 207 ? -22.028 7.901 16.208 1.00 47.99 ? 207 SER A OG 1 ATOM 1631 N N . SER A 1 208 ? -21.921 6.325 12.186 1.00 47.05 ? 208 SER A N 1 ATOM 1632 C CA . SER A 1 208 ? -21.959 6.242 10.726 1.00 47.27 ? 208 SER A CA 1 ATOM 1633 C C . SER A 1 208 ? -21.451 4.862 10.289 1.00 47.43 ? 208 SER A C 1 ATOM 1634 O O . SER A 1 208 ? -20.546 4.300 10.908 1.00 48.05 ? 208 SER A O 1 ATOM 1635 C CB . SER A 1 208 ? -21.082 7.336 10.107 1.00 47.87 ? 208 SER A CB 1 ATOM 1636 O OG . SER A 1 208 ? -19.701 7.035 10.243 1.00 48.11 ? 208 SER A OG 1 ATOM 1637 N N . PRO A 1 209 ? -22.012 4.308 9.202 1.00 46.99 ? 209 PRO A N 1 ATOM 1638 C CA . PRO A 1 209 ? -21.585 2.989 8.730 1.00 45.42 ? 209 PRO A CA 1 ATOM 1639 C C . PRO A 1 209 ? -20.416 3.078 7.748 1.00 42.74 ? 209 PRO A C 1 ATOM 1640 O O . PRO A 1 209 ? -20.409 2.398 6.723 1.00 42.89 ? 209 PRO A O 1 ATOM 1641 C CB . PRO A 1 209 ? -22.847 2.468 8.064 1.00 46.56 ? 209 PRO A CB 1 ATOM 1642 C CG . PRO A 1 209 ? -23.322 3.705 7.325 1.00 47.12 ? 209 PRO A CG 1 ATOM 1643 C CD . PRO A 1 209 ? -23.052 4.864 8.311 1.00 47.70 ? 209 PRO A CD 1 ATOM 1644 N N . LEU A 1 210 ? -19.426 3.904 8.069 1.00 40.19 ? 210 LEU A N 1 ATOM 1645 C CA . LEU A 1 210 ? -18.280 4.099 7.184 1.00 37.46 ? 210 LEU A CA 1 ATOM 1646 C C . LEU A 1 210 ? -16.971 3.412 7.622 1.00 35.78 ? 210 LEU A C 1 ATOM 1647 O O . LEU A 1 210 ? -15.934 3.580 6.977 1.00 34.39 ? 210 LEU A O 1 ATOM 1648 C CB . LEU A 1 210 ? -18.052 5.606 6.991 1.00 38.65 ? 210 LEU A CB 1 ATOM 1649 C CG . LEU A 1 210 ? -19.212 6.441 6.416 1.00 39.25 ? 210 LEU A CG 1 ATOM 1650 C CD1 . LEU A 1 210 ? -18.963 7.921 6.677 1.00 38.99 ? 210 LEU A CD1 1 ATOM 1651 C CD2 . LEU A 1 210 ? -19.364 6.182 4.920 1.00 40.50 ? 210 LEU A CD2 1 ATOM 1652 N N . GLY A 1 211 ? -17.023 2.642 8.708 1.00 35.26 ? 211 GLY A N 1 ATOM 1653 C CA . GLY A 1 211 ? -15.846 1.933 9.199 1.00 33.41 ? 211 GLY A CA 1 ATOM 1654 C C . GLY A 1 211 ? -14.710 2.802 9.716 1.00 31.67 ? 211 GLY A C 1 ATOM 1655 O O . GLY A 1 211 ? -13.548 2.383 9.731 1.00 30.70 ? 211 GLY A O 1 ATOM 1656 N N . LEU A 1 212 ? -15.050 4.012 10.146 1.00 29.28 ? 212 LEU A N 1 ATOM 1657 C CA . LEU A 1 212 ? -14.072 4.959 10.667 1.00 29.06 ? 212 LEU A CA 1 ATOM 1658 C C . LEU A 1 212 ? -13.840 4.787 12.172 1.00 28.11 ? 212 LEU A C 1 ATOM 1659 O O . LEU A 1 212 ? -14.637 4.167 12.880 1.00 27.53 ? 212 LEU A O 1 ATOM 1660 C CB . LEU A 1 212 ? -14.549 6.395 10.418 1.00 29.02 ? 212 LEU A CB 1 ATOM 1661 C CG . LEU A 1 212 ? -14.923 6.838 9.001 1.00 30.12 ? 212 LEU A CG 1 ATOM 1662 C CD1 . LEU A 1 212 ? -15.685 8.161 9.062 1.00 28.21 ? 212 LEU A CD1 1 ATOM 1663 C CD2 . LEU A 1 212 ? -13.663 6.970 8.151 1.00 31.04 ? 212 LEU A CD2 1 ATOM 1664 N N . MET A 1 213 ? -12.736 5.352 12.645 1.00 26.58 ? 213 MET A N 1 ATOM 1665 C CA . MET A 1 213 ? -12.394 5.332 14.058 1.00 24.80 ? 213 MET A CA 1 ATOM 1666 C C . MET A 1 213 ? -12.890 6.674 14.589 1.00 23.88 ? 213 MET A C 1 ATOM 1667 O O . MET A 1 213 ? -12.932 7.654 13.844 1.00 23.85 ? 213 MET A O 1 ATOM 1668 C CB . MET A 1 213 ? -10.876 5.232 14.238 1.00 24.64 ? 213 MET A CB 1 ATOM 1669 C CG . MET A 1 213 ? -10.267 3.899 13.825 1.00 23.44 ? 213 MET A CG 1 ATOM 1670 S SD . MET A 1 213 ? -10.739 2.581 14.953 1.00 26.59 ? 213 MET A SD 1 ATOM 1671 C CE . MET A 1 213 ? -9.374 2.622 16.117 1.00 24.16 ? 213 MET A CE 1 ATOM 1672 N N . ALA A 1 214 ? -13.268 6.719 15.862 1.00 23.08 ? 214 ALA A N 1 ATOM 1673 C CA . ALA A 1 214 ? -13.757 7.949 16.472 1.00 22.35 ? 214 ALA A CA 1 ATOM 1674 C C . ALA A 1 214 ? -12.657 8.992 16.504 1.00 22.62 ? 214 ALA A C 1 ATOM 1675 O O . ALA A 1 214 ? -11.499 8.664 16.739 1.00 25.44 ? 214 ALA A O 1 ATOM 1676 C CB . ALA A 1 214 ? -14.243 7.670 17.891 1.00 22.49 ? 214 ALA A CB 1 ATOM 1677 N N . VAL A 1 215 ? -13.010 10.247 16.255 1.00 23.16 ? 215 VAL A N 1 ATOM 1678 C CA . VAL A 1 215 ? -12.019 11.314 16.299 1.00 23.59 ? 215 VAL A CA 1 ATOM 1679 C C . VAL A 1 215 ? -12.455 12.417 17.263 1.00 24.90 ? 215 VAL A C 1 ATOM 1680 O O . VAL A 1 215 ? -13.624 12.520 17.629 1.00 25.28 ? 215 VAL A O 1 ATOM 1681 C CB . VAL A 1 215 ? -11.761 11.930 14.898 1.00 22.39 ? 215 VAL A CB 1 ATOM 1682 C CG1 . VAL A 1 215 ? -11.409 10.830 13.904 1.00 21.08 ? 215 VAL A CG1 1 ATOM 1683 C CG2 . VAL A 1 215 ? -12.974 12.717 14.430 1.00 23.49 ? 215 VAL A CG2 1 ATOM 1684 N N . ASN A 1 216 ? -11.488 13.219 17.691 1.00 26.00 ? 216 ASN A N 1 ATOM 1685 C CA . ASN A 1 216 ? -11.733 14.333 18.593 1.00 27.88 ? 216 ASN A CA 1 ATOM 1686 C C . ASN A 1 216 ? -12.788 15.273 17.982 1.00 29.41 ? 216 ASN A C 1 ATOM 1687 O O . ASN A 1 216 ? -12.778 15.543 16.774 1.00 26.57 ? 216 ASN A O 1 ATOM 1688 C CB . ASN A 1 216 ? -10.418 15.087 18.819 1.00 26.18 ? 216 ASN A CB 1 ATOM 1689 C CG . ASN A 1 216 ? -10.393 15.844 20.131 1.00 28.76 ? 216 ASN A CG 1 ATOM 1690 O OD1 . ASN A 1 216 ? -11.203 16.746 20.354 1.00 25.94 ? 216 ASN A OD1 1 ATOM 1691 N ND2 . ASN A 1 216 ? -9.458 15.481 21.011 1.00 25.21 ? 216 ASN A ND2 1 ATOM 1692 N N . GLN A 1 217 ? -13.703 15.757 18.818 1.00 31.52 ? 217 GLN A N 1 ATOM 1693 C CA . GLN A 1 217 ? -14.750 16.667 18.362 1.00 34.37 ? 217 GLN A CA 1 ATOM 1694 C C . GLN A 1 217 ? -14.560 18.066 18.947 1.00 34.69 ? 217 GLN A C 1 ATOM 1695 O O . GLN A 1 217 ? -15.345 18.966 18.663 1.00 35.63 ? 217 GLN A O 1 ATOM 1696 C CB . GLN A 1 217 ? -16.140 16.146 18.758 1.00 34.55 ? 217 GLN A CB 1 ATOM 1697 C CG . GLN A 1 217 ? -16.565 14.823 18.116 1.00 38.15 ? 217 GLN A CG 1 ATOM 1698 C CD . GLN A 1 217 ? -16.562 14.870 16.595 1.00 40.27 ? 217 GLN A CD 1 ATOM 1699 O OE1 . GLN A 1 217 ? -17.074 15.814 15.986 1.00 42.81 ? 217 GLN A OE1 1 ATOM 1700 N NE2 . GLN A 1 217 ? -15.992 13.843 15.975 1.00 40.41 ? 217 GLN A NE2 1 ATOM 1701 N N . GLU A 1 218 ? -13.516 18.243 19.755 1.00 35.20 ? 218 GLU A N 1 ATOM 1702 C CA . GLU A 1 218 ? -13.222 19.529 20.396 1.00 35.05 ? 218 GLU A CA 1 ATOM 1703 C C . GLU A 1 218 ? -12.103 20.282 19.706 1.00 33.93 ? 218 GLU A C 1 ATOM 1704 O O . GLU A 1 218 ? -11.998 21.498 19.841 1.00 33.87 ? 218 GLU A O 1 ATOM 1705 C CB . GLU A 1 218 ? -12.765 19.333 21.843 1.00 36.70 ? 218 GLU A CB 1 ATOM 1706 C CG . GLU A 1 218 ? -13.652 18.484 22.711 1.00 41.59 ? 218 GLU A CG 1 ATOM 1707 C CD . GLU A 1 218 ? -15.019 19.084 22.883 1.00 43.05 ? 218 GLU A CD 1 ATOM 1708 O OE1 . GLU A 1 218 ? -15.105 20.262 23.300 1.00 45.18 ? 218 GLU A OE1 1 ATOM 1709 O OE2 . GLU A 1 218 ? -16.007 18.373 22.602 1.00 45.01 ? 218 GLU A OE2 1 ATOM 1710 N N . ALA A 1 219 ? -11.246 19.556 18.998 1.00 33.44 ? 219 ALA A N 1 ATOM 1711 C CA . ALA A 1 219 ? -10.106 20.182 18.351 1.00 32.89 ? 219 ALA A CA 1 ATOM 1712 C C . ALA A 1 219 ? -9.738 19.530 17.041 1.00 32.09 ? 219 ALA A C 1 ATOM 1713 O O . ALA A 1 219 ? -9.910 18.325 16.859 1.00 32.64 ? 219 ALA A O 1 ATOM 1714 C CB . ALA A 1 219 ? -8.904 20.161 19.295 1.00 31.25 ? 219 ALA A CB 1 ATOM 1715 N N . TRP A 1 220 ? -9.229 20.347 16.127 1.00 31.96 ? 220 TRP A N 1 ATOM 1716 C CA . TRP A 1 220 ? -8.810 19.906 14.821 1.00 32.81 ? 220 TRP A CA 1 ATOM 1717 C C . TRP A 1 220 ? -7.440 20.482 14.518 1.00 31.71 ? 220 TRP A C 1 ATOM 1718 O O . TRP A 1 220 ? -7.088 21.555 15.029 1.00 32.49 ? 220 TRP A O 1 ATOM 1719 C CB . TRP A 1 220 ? -9.889 20.299 13.762 1.00 34.38 ? 220 TRP A CB 1 ATOM 1720 C CG . TRP A 1 220 ? -11.184 19.553 14.001 1.00 37.37 ? 220 TRP A CG 1 ATOM 1721 C CD1 . TRP A 1 220 ? -12.169 19.876 14.871 1.00 36.78 ? 220 TRP A CD1 1 ATOM 1722 C CD2 . TRP A 1 220 ? -11.602 18.328 13.348 1.00 38.92 ? 220 TRP A CD2 1 ATOM 1723 N NE1 . TRP A 1 220 ? -13.161 18.921 14.852 1.00 38.89 ? 220 TRP A NE1 1 ATOM 1724 C CE2 . TRP A 1 220 ? -12.838 17.960 13.929 1.00 38.84 ? 220 TRP A CE2 1 ATOM 1725 C CE3 . TRP A 1 220 ? -11.044 17.500 12.361 1.00 40.75 ? 220 TRP A CE3 1 ATOM 1726 C CZ2 . TRP A 1 220 ? -13.527 16.801 13.553 1.00 40.46 ? 220 TRP A CZ2 1 ATOM 1727 C CZ3 . TRP A 1 220 ? -11.729 16.347 11.987 1.00 40.61 ? 220 TRP A CZ3 1 ATOM 1728 C CH2 . TRP A 1 220 ? -12.958 16.009 12.586 1.00 41.70 ? 220 TRP A CH2 1 ATOM 1729 N N . ASP A 1 221 ? -6.657 19.769 13.722 1.00 31.06 ? 221 ASP A N 1 ATOM 1730 C CA . ASP A 1 221 ? -5.357 20.219 13.263 1.00 31.14 ? 221 ASP A CA 1 ATOM 1731 C C . ASP A 1 221 ? -5.536 20.603 11.813 1.00 32.04 ? 221 ASP A C 1 ATOM 1732 O O . ASP A 1 221 ? -5.312 19.801 10.911 1.00 31.57 ? 221 ASP A O 1 ATOM 1733 C CB . ASP A 1 221 ? -4.349 19.090 13.405 1.00 31.18 ? 221 ASP A CB 1 ATOM 1734 C CG . ASP A 1 221 ? -2.895 19.411 13.107 1.00 32.06 ? 221 ASP A CG 1 ATOM 1735 O OD1 . ASP A 1 221 ? -2.570 20.604 12.941 1.00 32.70 ? 221 ASP A OD1 1 ATOM 1736 O OD2 . ASP A 1 221 ? -2.073 18.474 13.036 1.00 30.96 ? 221 ASP A OD2 1 ATOM 1737 N N . HIS A 1 222 ? -5.934 21.878 11.583 1.00 33.46 ? 222 HIS A N 1 ATOM 1738 C CA . HIS A 1 222 ? -6.094 22.332 10.198 1.00 35.40 ? 222 HIS A CA 1 ATOM 1739 C C . HIS A 1 222 ? -7.033 21.425 9.445 1.00 34.43 ? 222 HIS A C 1 ATOM 1740 O O . HIS A 1 222 ? -6.801 21.105 8.281 1.00 34.38 ? 222 HIS A O 1 ATOM 1741 C CB . HIS A 1 222 ? -4.766 22.304 9.408 1.00 39.42 ? 222 HIS A CB 1 ATOM 1742 C CG . HIS A 1 222 ? -3.764 23.256 10.112 1.00 43.16 ? 222 HIS A CG 1 ATOM 1743 N ND1 . HIS A 1 222 ? -3.334 24.441 9.545 1.00 45.74 ? 222 HIS A ND1 1 ATOM 1744 C CD2 . HIS A 1 222 ? -3.215 23.181 11.352 1.00 46.04 ? 222 HIS A CD2 1 ATOM 1745 C CE1 . HIS A 1 222 ? -2.544 25.034 10.422 1.00 47.86 ? 222 HIS A CE1 1 ATOM 1746 N NE2 . HIS A 1 222 ? -2.441 24.290 11.513 1.00 47.32 ? 222 HIS A NE2 1 ATOM 1747 N N . GLY A 1 223 ? -8.093 21.021 10.104 1.00 33.83 ? 223 GLY A N 1 ATOM 1748 C CA . GLY A 1 223 ? -9.025 20.150 9.445 1.00 33.18 ? 223 GLY A CA 1 ATOM 1749 C C . GLY A 1 223 ? -8.564 18.719 9.465 1.00 34.21 ? 223 GLY A C 1 ATOM 1750 O O . GLY A 1 223 ? -9.214 17.901 8.843 1.00 35.70 ? 223 GLY A O 1 ATOM 1751 N N . LEU A 1 224 ? -7.452 18.396 10.125 1.00 32.82 ? 224 LEU A N 1 ATOM 1752 C CA . LEU A 1 224 ? -7.041 16.991 10.191 1.00 30.98 ? 224 LEU A CA 1 ATOM 1753 C C . LEU A 1 224 ? -7.347 16.493 11.607 1.00 28.98 ? 224 LEU A C 1 ATOM 1754 O O . LEU A 1 224 ? -7.283 17.257 12.567 1.00 29.04 ? 224 LEU A O 1 ATOM 1755 C CB . LEU A 1 224 ? -5.553 16.812 9.844 1.00 31.42 ? 224 LEU A CB 1 ATOM 1756 C CG . LEU A 1 224 ? -5.085 17.278 8.453 1.00 32.13 ? 224 LEU A CG 1 ATOM 1757 C CD1 . LEU A 1 224 ? -3.603 16.992 8.301 1.00 31.16 ? 224 LEU A CD1 1 ATOM 1758 C CD2 . LEU A 1 224 ? -5.859 16.573 7.350 1.00 31.54 ? 224 LEU A CD2 1 ATOM 1759 N N . ALA A 1 225 ? -7.681 15.214 11.731 1.00 27.41 ? 225 ALA A N 1 ATOM 1760 C CA . ALA A 1 225 ? -8.059 14.618 13.011 1.00 26.26 ? 225 ALA A CA 1 ATOM 1761 C C . ALA A 1 225 ? -7.016 14.463 14.114 1.00 26.12 ? 225 ALA A C 1 ATOM 1762 O O . ALA A 1 225 ? -5.819 14.316 13.864 1.00 27.03 ? 225 ALA A O 1 ATOM 1763 C CB . ALA A 1 225 ? -8.710 13.259 12.751 1.00 26.06 ? 225 ALA A CB 1 ATOM 1764 N N . TYR A 1 226 ? -7.516 14.510 15.344 1.00 25.84 ? 226 TYR A N 1 ATOM 1765 C CA . TYR A 1 226 ? -6.737 14.308 16.559 1.00 26.01 ? 226 TYR A CA 1 ATOM 1766 C C . TYR A 1 226 ? -7.398 13.086 17.192 1.00 25.81 ? 226 TYR A C 1 ATOM 1767 O O . TYR A 1 226 ? -8.571 12.809 16.933 1.00 25.18 ? 226 TYR A O 1 ATOM 1768 C CB . TYR A 1 226 ? -6.903 15.477 17.536 1.00 25.91 ? 226 TYR A CB 1 ATOM 1769 C CG . TYR A 1 226 ? -6.022 16.680 17.297 1.00 28.67 ? 226 TYR A CG 1 ATOM 1770 C CD1 . TYR A 1 226 ? -6.556 17.971 17.343 1.00 28.70 ? 226 TYR A CD1 1 ATOM 1771 C CD2 . TYR A 1 226 ? -4.651 16.540 17.083 1.00 29.06 ? 226 TYR A CD2 1 ATOM 1772 C CE1 . TYR A 1 226 ? -5.749 19.090 17.186 1.00 29.25 ? 226 TYR A CE1 1 ATOM 1773 C CE2 . TYR A 1 226 ? -3.832 17.654 16.924 1.00 29.07 ? 226 TYR A CE2 1 ATOM 1774 C CZ . TYR A 1 226 ? -4.387 18.926 16.978 1.00 30.09 ? 226 TYR A CZ 1 ATOM 1775 O OH . TYR A 1 226 ? -3.585 20.034 16.830 1.00 28.83 ? 226 TYR A OH 1 ATOM 1776 N N . LEU A 1 227 ? -6.664 12.353 18.016 1.00 25.33 ? 227 LEU A N 1 ATOM 1777 C CA . LEU A 1 227 ? -7.261 11.210 18.689 1.00 26.27 ? 227 LEU A CA 1 ATOM 1778 C C . LEU A 1 227 ? -8.262 11.800 19.676 1.00 25.30 ? 227 LEU A C 1 ATOM 1779 O O . LEU A 1 227 ? -8.158 12.968 20.053 1.00 23.97 ? 227 LEU A O 1 ATOM 1780 C CB . LEU A 1 227 ? -6.207 10.431 19.485 1.00 26.67 ? 227 LEU A CB 1 ATOM 1781 C CG . LEU A 1 227 ? -4.999 9.811 18.780 1.00 29.48 ? 227 LEU A CG 1 ATOM 1782 C CD1 . LEU A 1 227 ? -3.953 9.457 19.825 1.00 29.57 ? 227 LEU A CD1 1 ATOM 1783 C CD2 . LEU A 1 227 ? -5.407 8.583 17.995 1.00 28.09 ? 227 LEU A CD2 1 ATOM 1784 N N . PRO A 1 228 ? -9.264 11.013 20.083 1.00 25.49 ? 228 PRO A N 1 ATOM 1785 C CA . PRO A 1 228 ? -10.239 11.534 21.046 1.00 25.67 ? 228 PRO A CA 1 ATOM 1786 C C . PRO A 1 228 ? -9.605 11.654 22.446 1.00 27.05 ? 228 PRO A C 1 ATOM 1787 O O . PRO A 1 228 ? -8.580 11.027 22.724 1.00 26.95 ? 228 PRO A O 1 ATOM 1788 C CB . PRO A 1 228 ? -11.376 10.507 20.983 1.00 25.56 ? 228 PRO A CB 1 ATOM 1789 C CG . PRO A 1 228 ? -10.715 9.257 20.469 1.00 26.66 ? 228 PRO A CG 1 ATOM 1790 C CD . PRO A 1 228 ? -9.736 9.765 19.457 1.00 25.22 ? 228 PRO A CD 1 ATOM 1791 N N . PHE A 1 229 ? -10.198 12.466 23.318 1.00 28.61 ? 229 PHE A N 1 ATOM 1792 C CA . PHE A 1 229 ? -9.662 12.639 24.667 1.00 30.88 ? 229 PHE A CA 1 ATOM 1793 C C . PHE A 1 229 ? -10.092 11.489 25.558 1.00 32.76 ? 229 PHE A C 1 ATOM 1794 O O . PHE A 1 229 ? -11.173 10.935 25.381 1.00 32.25 ? 229 PHE A O 1 ATOM 1795 C CB . PHE A 1 229 ? -10.163 13.941 25.303 1.00 30.32 ? 229 PHE A CB 1 ATOM 1796 C CG . PHE A 1 229 ? -9.540 15.186 24.739 1.00 31.08 ? 229 PHE A CG 1 ATOM 1797 C CD1 . PHE A 1 229 ? -8.158 15.292 24.599 1.00 31.20 ? 229 PHE A CD1 1 ATOM 1798 C CD2 . PHE A 1 229 ? -10.335 16.274 24.388 1.00 30.41 ? 229 PHE A CD2 1 ATOM 1799 C CE1 . PHE A 1 229 ? -7.578 16.472 24.117 1.00 32.70 ? 229 PHE A CE1 1 ATOM 1800 C CE2 . PHE A 1 229 ? -9.768 17.455 23.907 1.00 30.94 ? 229 PHE A CE2 1 ATOM 1801 C CZ . PHE A 1 229 ? -8.387 17.555 23.771 1.00 31.65 ? 229 PHE A CZ 1 ATOM 1802 N N . ASN A 1 230 ? -9.249 11.127 26.516 1.00 36.75 ? 230 ASN A N 1 ATOM 1803 C CA . ASN A 1 230 ? -9.618 10.065 27.428 1.00 40.94 ? 230 ASN A CA 1 ATOM 1804 C C . ASN A 1 230 ? -10.597 10.592 28.479 1.00 43.55 ? 230 ASN A C 1 ATOM 1805 O O . ASN A 1 230 ? -10.454 11.698 29.007 1.00 41.98 ? 230 ASN A O 1 ATOM 1806 C CB . ASN A 1 230 ? -8.394 9.462 28.116 1.00 42.07 ? 230 ASN A CB 1 ATOM 1807 C CG . ASN A 1 230 ? -8.764 8.330 29.061 1.00 43.70 ? 230 ASN A CG 1 ATOM 1808 O OD1 . ASN A 1 230 ? -9.930 7.924 29.138 1.00 44.61 ? 230 ASN A OD1 1 ATOM 1809 N ND2 . ASN A 1 230 ? -7.776 7.811 29.784 1.00 45.17 ? 230 ASN A ND2 1 ATOM 1810 N N . ASN A 1 231 ? -11.591 9.755 28.751 1.00 47.88 ? 231 ASN A N 1 ATOM 1811 C CA . ASN A 1 231 ? -12.688 9.969 29.696 1.00 51.20 ? 231 ASN A CA 1 ATOM 1812 C C . ASN A 1 231 ? -12.274 10.260 31.143 1.00 51.67 ? 231 ASN A C 1 ATOM 1813 O O . ASN A 1 231 ? -12.807 11.158 31.798 1.00 51.85 ? 231 ASN A O 1 ATOM 1814 C CB . ASN A 1 231 ? -13.534 8.689 29.704 1.00 53.21 ? 231 ASN A CB 1 ATOM 1815 C CG . ASN A 1 231 ? -15.008 8.941 29.931 1.00 54.70 ? 231 ASN A CG 1 ATOM 1816 O OD1 . ASN A 1 231 ? -15.405 9.956 30.506 1.00 56.01 ? 231 ASN A OD1 1 ATOM 1817 N ND2 . ASN A 1 231 ? -15.835 7.996 29.490 1.00 54.45 ? 231 ASN A ND2 1 ATOM 1818 N N . LYS A 1 232 ? -11.317 9.467 31.610 1.00 52.78 ? 232 LYS A N 1 ATOM 1819 C CA . LYS A 1 232 ? -10.818 9.456 32.980 1.00 53.79 ? 232 LYS A CA 1 ATOM 1820 C C . LYS A 1 232 ? -10.176 10.656 33.668 1.00 53.75 ? 232 LYS A C 1 ATOM 1821 O O . LYS A 1 232 ? -9.317 11.346 33.119 1.00 54.80 ? 232 LYS A O 1 ATOM 1822 C CB . LYS A 1 232 ? -9.870 8.269 33.127 1.00 54.56 ? 232 LYS A CB 1 ATOM 1823 C CG . LYS A 1 232 ? -9.995 7.510 34.432 1.00 56.48 ? 232 LYS A CG 1 ATOM 1824 C CD . LYS A 1 232 ? -8.962 6.398 34.459 1.00 57.86 ? 232 LYS A CD 1 ATOM 1825 C CE . LYS A 1 232 ? -9.180 5.419 35.602 1.00 59.00 ? 232 LYS A CE 1 ATOM 1826 N NZ . LYS A 1 232 ? -8.432 4.148 35.345 1.00 59.05 ? 232 LYS A NZ 1 ATOM 1827 N N . LYS A 1 233 ? -10.604 10.858 34.909 1.00 52.70 ? 233 LYS A N 1 ATOM 1828 C CA . LYS A 1 233 ? -10.085 11.900 35.774 1.00 51.82 ? 233 LYS A CA 1 ATOM 1829 C C . LYS A 1 233 ? -9.918 11.230 37.137 1.00 50.43 ? 233 LYS A C 1 ATOM 1830 O O . LYS A 1 233 ? -10.765 10.432 37.554 1.00 50.54 ? 233 LYS A O 1 ATOM 1831 C CB . LYS A 1 233 ? -11.050 13.097 35.822 1.00 51.57 ? 233 LYS A CB 1 ATOM 1832 C CG . LYS A 1 233 ? -11.021 13.891 34.514 1.00 52.29 ? 233 LYS A CG 1 ATOM 1833 C CD . LYS A 1 233 ? -11.849 15.172 34.528 1.00 53.11 ? 233 LYS A CD 1 ATOM 1834 C CE . LYS A 1 233 ? -11.696 15.915 33.191 1.00 54.23 ? 233 LYS A CE 1 ATOM 1835 N NZ . LYS A 1 233 ? -12.537 17.148 33.087 1.00 54.20 ? 233 LYS A NZ 1 ATOM 1836 N N . PRO A 1 234 ? -8.804 11.512 37.835 1.00 48.75 ? 234 PRO A N 1 ATOM 1837 C CA . PRO A 1 234 ? -7.708 12.415 37.457 1.00 47.08 ? 234 PRO A CA 1 ATOM 1838 C C . PRO A 1 234 ? -6.909 12.047 36.196 1.00 45.24 ? 234 PRO A C 1 ATOM 1839 O O . PRO A 1 234 ? -6.501 10.898 36.003 1.00 44.63 ? 234 PRO A O 1 ATOM 1840 C CB . PRO A 1 234 ? -6.833 12.416 38.707 1.00 47.50 ? 234 PRO A CB 1 ATOM 1841 C CG . PRO A 1 234 ? -6.972 11.001 39.190 1.00 47.83 ? 234 PRO A CG 1 ATOM 1842 C CD . PRO A 1 234 ? -8.466 10.774 39.067 1.00 48.18 ? 234 PRO A CD 1 ATOM 1843 N N . SER A 1 235 ? -6.689 13.046 35.347 1.00 42.54 ? 235 SER A N 1 ATOM 1844 C CA . SER A 1 235 ? -5.927 12.883 34.112 1.00 39.94 ? 235 SER A CA 1 ATOM 1845 C C . SER A 1 235 ? -4.490 13.376 34.342 1.00 38.21 ? 235 SER A C 1 ATOM 1846 O O . SER A 1 235 ? -4.281 14.491 34.826 1.00 39.19 ? 235 SER A O 1 ATOM 1847 C CB . SER A 1 235 ? -6.589 13.693 32.993 1.00 39.39 ? 235 SER A CB 1 ATOM 1848 O OG . SER A 1 235 ? -5.726 13.849 31.883 1.00 38.24 ? 235 SER A OG 1 ATOM 1849 N N . PRO A 1 236 ? -3.482 12.550 34.007 1.00 36.31 ? 236 PRO A N 1 ATOM 1850 C CA . PRO A 1 236 ? -2.073 12.935 34.192 1.00 33.95 ? 236 PRO A CA 1 ATOM 1851 C C . PRO A 1 236 ? -1.675 14.092 33.287 1.00 31.71 ? 236 PRO A C 1 ATOM 1852 O O . PRO A 1 236 ? -0.815 14.902 33.631 1.00 31.34 ? 236 PRO A O 1 ATOM 1853 C CB . PRO A 1 236 ? -1.298 11.672 33.809 1.00 33.77 ? 236 PRO A CB 1 ATOM 1854 C CG . PRO A 1 236 ? -2.296 10.572 33.918 1.00 35.03 ? 236 PRO A CG 1 ATOM 1855 C CD . PRO A 1 236 ? -3.585 11.188 33.459 1.00 35.77 ? 236 PRO A CD 1 ATOM 1856 N N . CYS A 1 237 ? -2.299 14.141 32.116 1.00 29.95 ? 237 CYS A N 1 ATOM 1857 C CA . CYS A 1 237 ? -2.009 15.164 31.128 1.00 28.88 ? 237 CYS A CA 1 ATOM 1858 C C . CYS A 1 237 ? -2.531 16.540 31.526 1.00 30.66 ? 237 CYS A C 1 ATOM 1859 O O . CYS A 1 237 ? -2.012 17.556 31.060 1.00 30.52 ? 237 CYS A O 1 ATOM 1860 C CB . CYS A 1 237 ? -2.551 14.730 29.759 1.00 25.76 ? 237 CYS A CB 1 ATOM 1861 S SG . CYS A 1 237 ? -1.824 13.149 29.185 1.00 23.71 ? 237 CYS A SG 1 ATOM 1862 N N . GLU A 1 238 ? -3.555 16.607 32.373 1.00 32.90 ? 238 GLU A N 1 ATOM 1863 C CA . GLU A 1 238 ? -3.974 17.939 32.772 1.00 35.67 ? 238 GLU A CA 1 ATOM 1864 C C . GLU A 1 238 ? -3.296 18.377 34.073 1.00 35.71 ? 238 GLU A C 1 ATOM 1865 O O . GLU A 1 238 ? -3.197 19.571 34.351 1.00 36.43 ? 238 GLU A O 1 ATOM 1866 C CB . GLU A 1 238 ? -5.510 18.105 32.799 1.00 36.76 ? 238 GLU A CB 1 ATOM 1867 C CG . GLU A 1 238 ? -6.385 17.096 33.511 1.00 41.16 ? 238 GLU A CG 1 ATOM 1868 C CD . GLU A 1 238 ? -7.872 17.448 33.332 1.00 44.03 ? 238 GLU A CD 1 ATOM 1869 O OE1 . GLU A 1 238 ? -8.481 17.035 32.314 1.00 44.20 ? 238 GLU A OE1 1 ATOM 1870 O OE2 . GLU A 1 238 ? -8.423 18.164 34.201 1.00 46.15 ? 238 GLU A OE2 1 ATOM 1871 N N . PHE A 1 239 ? -2.780 17.418 34.841 1.00 35.46 ? 239 PHE A N 1 ATOM 1872 C CA . PHE A 1 239 ? -2.063 17.742 36.072 1.00 35.34 ? 239 PHE A CA 1 ATOM 1873 C C . PHE A 1 239 ? -0.775 18.491 35.724 1.00 35.66 ? 239 PHE A C 1 ATOM 1874 O O . PHE A 1 239 ? -0.365 19.384 36.462 1.00 35.39 ? 239 PHE A O 1 ATOM 1875 C CB . PHE A 1 239 ? -1.693 16.472 36.864 1.00 34.62 ? 239 PHE A CB 1 ATOM 1876 C CG . PHE A 1 239 ? -0.657 16.703 37.956 1.00 34.53 ? 239 PHE A CG 1 ATOM 1877 C CD1 . PHE A 1 239 ? -1.039 16.986 39.270 1.00 35.20 ? 239 PHE A CD1 1 ATOM 1878 C CD2 . PHE A 1 239 ? 0.705 16.654 37.659 1.00 33.96 ? 239 PHE A CD2 1 ATOM 1879 C CE1 . PHE A 1 239 ? -0.074 17.217 40.268 1.00 34.83 ? 239 PHE A CE1 1 ATOM 1880 C CE2 . PHE A 1 239 ? 1.672 16.884 38.645 1.00 33.71 ? 239 PHE A CE2 1 ATOM 1881 C CZ . PHE A 1 239 ? 1.282 17.165 39.950 1.00 34.74 ? 239 PHE A CZ 1 ATOM 1882 N N . ILE A 1 240 ? -0.136 18.139 34.608 1.00 35.73 ? 240 ILE A N 1 ATOM 1883 C CA . ILE A 1 240 ? 1.120 18.797 34.261 1.00 36.16 ? 240 ILE A CA 1 ATOM 1884 C C . ILE A 1 240 ? 0.981 20.274 33.893 1.00 35.84 ? 240 ILE A C 1 ATOM 1885 O O . ILE A 1 240 ? 1.974 20.992 33.811 1.00 35.75 ? 240 ILE A O 1 ATOM 1886 C CB . ILE A 1 240 ? 1.910 18.029 33.157 1.00 37.17 ? 240 ILE A CB 1 ATOM 1887 C CG1 . ILE A 1 240 ? 1.091 17.885 31.879 1.00 37.81 ? 240 ILE A CG1 1 ATOM 1888 C CG2 . ILE A 1 240 ? 2.328 16.666 33.688 1.00 36.62 ? 240 ILE A CG2 1 ATOM 1889 C CD1 . ILE A 1 240 ? 1.965 17.607 30.667 1.00 40.15 ? 240 ILE A CD1 1 ATOM 1890 N N . ASN A 1 241 ? -0.250 20.718 33.664 1.00 35.93 ? 241 ASN A N 1 ATOM 1891 C CA . ASN A 1 241 ? -0.548 22.126 33.389 1.00 36.54 ? 241 ASN A CA 1 ATOM 1892 C C . ASN A 1 241 ? -2.022 22.310 33.683 1.00 36.50 ? 241 ASN A C 1 ATOM 1893 O O . ASN A 1 241 ? -2.870 22.130 32.807 1.00 35.31 ? 241 ASN A O 1 ATOM 1894 C CB . ASN A 1 241 ? -0.290 22.532 31.942 1.00 37.91 ? 241 ASN A CB 1 ATOM 1895 C CG . ASN A 1 241 ? -0.367 24.042 31.752 1.00 40.26 ? 241 ASN A CG 1 ATOM 1896 O OD1 . ASN A 1 241 ? -1.048 24.739 32.508 1.00 40.84 ? 241 ASN A OD1 1 ATOM 1897 N ND2 . ASN A 1 241 ? 0.334 24.544 30.743 1.00 40.80 ? 241 ASN A ND2 1 ATOM 1898 N N . THR A 1 242 ? -2.325 22.659 34.925 1.00 35.88 ? 242 THR A N 1 ATOM 1899 C CA . THR A 1 242 ? -3.706 22.834 35.331 1.00 35.97 ? 242 THR A CA 1 ATOM 1900 C C . THR A 1 242 ? -4.406 24.009 34.664 1.00 35.72 ? 242 THR A C 1 ATOM 1901 O O . THR A 1 242 ? -5.622 24.137 34.765 1.00 36.00 ? 242 THR A O 1 ATOM 1902 C CB . THR A 1 242 ? -3.811 22.973 36.857 1.00 36.72 ? 242 THR A CB 1 ATOM 1903 O OG1 . THR A 1 242 ? -2.832 23.909 37.321 1.00 35.90 ? 242 THR A OG1 1 ATOM 1904 C CG2 . THR A 1 242 ? -3.585 21.620 37.526 1.00 36.52 ? 242 THR A CG2 1 ATOM 1905 N N . THR A 1 243 ? -3.652 24.856 33.968 1.00 34.88 ? 243 THR A N 1 ATOM 1906 C CA . THR A 1 243 ? -4.255 26.002 33.296 1.00 34.08 ? 243 THR A CA 1 ATOM 1907 C C . THR A 1 243 ? -4.796 25.624 31.920 1.00 33.20 ? 243 THR A C 1 ATOM 1908 O O . THR A 1 243 ? -5.880 26.062 31.533 1.00 33.26 ? 243 THR A O 1 ATOM 1909 C CB . THR A 1 243 ? -3.251 27.163 33.160 1.00 34.68 ? 243 THR A CB 1 ATOM 1910 O OG1 . THR A 1 243 ? -2.832 27.573 34.468 1.00 36.12 ? 243 THR A OG1 1 ATOM 1911 C CG2 . THR A 1 243 ? -3.893 28.352 32.452 1.00 34.50 ? 243 THR A CG2 1 ATOM 1912 N N . ALA A 1 244 ? -4.050 24.803 31.186 1.00 32.35 ? 244 ALA A N 1 ATOM 1913 C CA . ALA A 1 244 ? -4.490 24.375 29.864 1.00 30.44 ? 244 ALA A CA 1 ATOM 1914 C C . ALA A 1 244 ? -5.554 23.293 29.986 1.00 30.13 ? 244 ALA A C 1 ATOM 1915 O O . ALA A 1 244 ? -6.453 23.203 29.153 1.00 31.03 ? 244 ALA A O 1 ATOM 1916 C CB . ALA A 1 244 ? -3.309 23.862 29.054 1.00 30.43 ? 244 ALA A CB 1 ATOM 1917 N N . ARG A 1 245 ? -5.458 22.481 31.032 1.00 29.65 ? 245 ARG A N 1 ATOM 1918 C CA . ARG A 1 245 ? -6.422 21.411 31.243 1.00 32.86 ? 245 ARG A CA 1 ATOM 1919 C C . ARG A 1 245 ? -6.695 20.626 29.963 1.00 32.37 ? 245 ARG A C 1 ATOM 1920 O O . ARG A 1 245 ? -7.841 20.538 29.522 1.00 32.58 ? 245 ARG A O 1 ATOM 1921 C CB . ARG A 1 245 ? -7.750 21.976 31.751 1.00 36.79 ? 245 ARG A CB 1 ATOM 1922 C CG . ARG A 1 245 ? -7.835 22.224 33.245 1.00 41.38 ? 245 ARG A CG 1 ATOM 1923 C CD . ARG A 1 245 ? -9.131 22.958 33.567 1.00 44.57 ? 245 ARG A CD 1 ATOM 1924 N NE . ARG A 1 245 ? -9.031 24.384 33.266 1.00 47.98 ? 245 ARG A NE 1 ATOM 1925 C CZ . ARG A 1 245 ? -8.567 25.296 34.120 1.00 49.24 ? 245 ARG A CZ 1 ATOM 1926 N NH1 . ARG A 1 245 ? -8.503 26.576 33.762 1.00 48.49 ? 245 ARG A NH1 1 ATOM 1927 N NH2 . ARG A 1 245 ? -8.187 24.928 35.340 1.00 48.56 ? 245 ARG A NH2 1 ATOM 1928 N N . VAL A 1 246 ? -5.655 20.090 29.337 1.00 30.31 ? 246 VAL A N 1 ATOM 1929 C CA . VAL A 1 246 ? -5.881 19.290 28.144 1.00 29.05 ? 246 VAL A CA 1 ATOM 1930 C C . VAL A 1 246 ? -5.652 17.849 28.572 1.00 26.58 ? 246 VAL A C 1 ATOM 1931 O O . VAL A 1 246 ? -4.584 17.498 29.077 1.00 27.82 ? 246 VAL A O 1 ATOM 1932 C CB . VAL A 1 246 ? -4.938 19.675 26.988 1.00 28.74 ? 246 VAL A CB 1 ATOM 1933 C CG1 . VAL A 1 246 ? -5.179 18.755 25.796 1.00 28.87 ? 246 VAL A CG1 1 ATOM 1934 C CG2 . VAL A 1 246 ? -5.185 21.123 26.586 1.00 27.21 ? 246 VAL A CG2 1 ATOM 1935 N N . PRO A 1 247 ? -6.678 17.003 28.425 1.00 24.79 ? 247 PRO A N 1 ATOM 1936 C CA . PRO A 1 247 ? -6.511 15.605 28.826 1.00 22.92 ? 247 PRO A CA 1 ATOM 1937 C C . PRO A 1 247 ? -5.682 14.734 27.880 1.00 21.37 ? 247 PRO A C 1 ATOM 1938 O O . PRO A 1 247 ? -5.274 15.158 26.791 1.00 18.73 ? 247 PRO A O 1 ATOM 1939 C CB . PRO A 1 247 ? -7.953 15.115 28.978 1.00 22.66 ? 247 PRO A CB 1 ATOM 1940 C CG . PRO A 1 247 ? -8.705 15.941 27.979 1.00 22.75 ? 247 PRO A CG 1 ATOM 1941 C CD . PRO A 1 247 ? -8.087 17.312 28.107 1.00 22.27 ? 247 PRO A CD 1 ATOM 1942 N N . CYS A 1 248 ? -5.413 13.517 28.337 1.00 21.45 ? 248 CYS A N 1 ATOM 1943 C CA . CYS A 1 248 ? -4.653 12.558 27.557 1.00 21.67 ? 248 CYS A CA 1 ATOM 1944 C C . CYS A 1 248 ? -5.539 12.049 26.433 1.00 22.59 ? 248 CYS A C 1 ATOM 1945 O O . CYS A 1 248 ? -6.768 12.154 26.488 1.00 22.06 ? 248 CYS A O 1 ATOM 1946 C CB . CYS A 1 248 ? -4.222 11.375 28.422 1.00 21.69 ? 248 CYS A CB 1 ATOM 1947 S SG . CYS A 1 248 ? -3.124 11.723 29.838 1.00 22.59 ? 248 CYS A SG 1 ATOM 1948 N N . PHE A 1 249 ? -4.909 11.488 25.413 1.00 22.44 ? 249 PHE A N 1 ATOM 1949 C CA . PHE A 1 249 ? -5.637 10.958 24.277 1.00 22.99 ? 249 PHE A CA 1 ATOM 1950 C C . PHE A 1 249 ? -6.099 9.534 24.557 1.00 23.59 ? 249 PHE A C 1 ATOM 1951 O O . PHE A 1 249 ? -5.526 8.843 25.399 1.00 25.19 ? 249 PHE A O 1 ATOM 1952 C CB . PHE A 1 249 ? -4.740 10.970 23.044 1.00 23.40 ? 249 PHE A CB 1 ATOM 1953 C CG . PHE A 1 249 ? -4.402 12.347 22.548 1.00 24.99 ? 249 PHE A CG 1 ATOM 1954 C CD1 . PHE A 1 249 ? -3.076 12.756 22.444 1.00 25.53 ? 249 PHE A CD1 1 ATOM 1955 C CD2 . PHE A 1 249 ? -5.408 13.220 22.144 1.00 25.55 ? 249 PHE A CD2 1 ATOM 1956 C CE1 . PHE A 1 249 ? -2.753 14.019 21.939 1.00 26.90 ? 249 PHE A CE1 1 ATOM 1957 C CE2 . PHE A 1 249 ? -5.100 14.482 21.638 1.00 27.62 ? 249 PHE A CE2 1 ATOM 1958 C CZ . PHE A 1 249 ? -3.767 14.883 21.534 1.00 27.50 ? 249 PHE A CZ 1 ATOM 1959 N N . LEU A 1 250 ? -7.144 9.102 23.858 1.00 23.94 ? 250 LEU A N 1 ATOM 1960 C CA . LEU A 1 250 ? -7.660 7.745 23.983 1.00 24.16 ? 250 LEU A CA 1 ATOM 1961 C C . LEU A 1 250 ? -7.275 6.972 22.756 1.00 22.56 ? 250 LEU A C 1 ATOM 1962 O O . LEU A 1 250 ? -7.650 7.358 21.644 1.00 22.54 ? 250 LEU A O 1 ATOM 1963 C CB . LEU A 1 250 ? -9.185 7.755 24.175 1.00 24.39 ? 250 LEU A CB 1 ATOM 1964 C CG . LEU A 1 250 ? -9.844 6.384 24.352 1.00 25.73 ? 250 LEU A CG 1 ATOM 1965 C CD1 . LEU A 1 250 ? -9.426 5.742 25.660 1.00 26.19 ? 250 LEU A CD1 1 ATOM 1966 C CD2 . LEU A 1 250 ? -11.349 6.509 24.271 1.00 25.36 ? 250 LEU A CD2 1 ATOM 1967 N N . ALA A 1 251 ? -6.527 5.888 22.937 1.00 20.88 ? 251 ALA A N 1 ATOM 1968 C CA . ALA A 1 251 ? -6.040 5.070 21.817 1.00 20.65 ? 251 ALA A CA 1 ATOM 1969 C C . ALA A 1 251 ? -6.062 3.577 22.145 1.00 19.65 ? 251 ALA A C 1 ATOM 1970 O O . ALA A 1 251 ? -6.394 3.194 23.273 1.00 19.62 ? 251 ALA A O 1 ATOM 1971 C CB . ALA A 1 251 ? -4.621 5.476 21.433 1.00 19.80 ? 251 ALA A CB 1 ATOM 1972 N N . GLY A 1 252 ? -5.697 2.745 21.182 1.00 19.35 ? 252 GLY A N 1 ATOM 1973 C CA . GLY A 1 252 ? -5.737 1.306 21.372 1.00 17.75 ? 252 GLY A CA 1 ATOM 1974 C C . GLY A 1 252 ? -4.788 0.772 22.430 1.00 18.86 ? 252 GLY A C 1 ATOM 1975 O O . GLY A 1 252 ? -4.932 -0.372 22.901 1.00 17.93 ? 252 GLY A O 1 ATOM 1976 N N . ASP A 1 253 ? -3.803 1.581 22.817 1.00 18.01 ? 253 ASP A N 1 ATOM 1977 C CA . ASP A 1 253 ? -2.843 1.191 23.845 1.00 18.56 ? 253 ASP A CA 1 ATOM 1978 C C . ASP A 1 253 ? -2.872 2.271 24.918 1.00 20.60 ? 253 ASP A C 1 ATOM 1979 O O . ASP A 1 253 ? -2.999 3.457 24.609 1.00 21.53 ? 253 ASP A O 1 ATOM 1980 C CB . ASP A 1 253 ? -1.430 1.069 23.273 1.00 17.30 ? 253 ASP A CB 1 ATOM 1981 C CG . ASP A 1 253 ? -0.404 0.700 24.337 1.00 17.87 ? 253 ASP A CG 1 ATOM 1982 O OD1 . ASP A 1 253 ? -0.331 -0.488 24.729 1.00 16.09 ? 253 ASP A OD1 1 ATOM 1983 O OD2 . ASP A 1 253 ? 0.319 1.606 24.797 1.00 16.42 ? 253 ASP A OD2 1 ATOM 1984 N N . PHE A 1 254 ? -2.729 1.869 26.175 1.00 22.34 ? 254 PHE A N 1 ATOM 1985 C CA . PHE A 1 254 ? -2.801 2.814 27.287 1.00 25.52 ? 254 PHE A CA 1 ATOM 1986 C C . PHE A 1 254 ? -1.630 3.777 27.518 1.00 22.92 ? 254 PHE A C 1 ATOM 1987 O O . PHE A 1 254 ? -1.761 4.732 28.283 1.00 22.14 ? 254 PHE A O 1 ATOM 1988 C CB . PHE A 1 254 ? -3.119 2.045 28.581 1.00 29.86 ? 254 PHE A CB 1 ATOM 1989 C CG . PHE A 1 254 ? -4.479 1.388 28.568 1.00 37.35 ? 254 PHE A CG 1 ATOM 1990 C CD1 . PHE A 1 254 ? -4.625 0.040 28.227 1.00 40.16 ? 254 PHE A CD1 1 ATOM 1991 C CD2 . PHE A 1 254 ? -5.626 2.139 28.835 1.00 39.18 ? 254 PHE A CD2 1 ATOM 1992 C CE1 . PHE A 1 254 ? -5.899 -0.552 28.151 1.00 41.82 ? 254 PHE A CE1 1 ATOM 1993 C CE2 . PHE A 1 254 ? -6.902 1.565 28.763 1.00 41.01 ? 254 PHE A CE2 1 ATOM 1994 C CZ . PHE A 1 254 ? -7.041 0.216 28.420 1.00 42.86 ? 254 PHE A CZ 1 ATOM 1995 N N . ARG A 1 255 ? -0.505 3.551 26.848 1.00 19.69 ? 255 ARG A N 1 ATOM 1996 C CA . ARG A 1 255 ? 0.675 4.404 27.026 1.00 17.42 ? 255 ARG A CA 1 ATOM 1997 C C . ARG A 1 255 ? 0.839 5.488 25.948 1.00 17.21 ? 255 ARG A C 1 ATOM 1998 O O . ARG A 1 255 ? 1.822 6.231 25.949 1.00 18.01 ? 255 ARG A O 1 ATOM 1999 C CB . ARG A 1 255 ? 1.929 3.522 27.060 1.00 14.87 ? 255 ARG A CB 1 ATOM 2000 C CG . ARG A 1 255 ? 1.899 2.427 28.109 1.00 12.91 ? 255 ARG A CG 1 ATOM 2001 C CD . ARG A 1 255 ? 2.832 1.262 27.757 1.00 14.04 ? 255 ARG A CD 1 ATOM 2002 N NE . ARG A 1 255 ? 2.286 0.435 26.679 1.00 13.76 ? 255 ARG A NE 1 ATOM 2003 C CZ . ARG A 1 255 ? 2.807 -0.714 26.243 1.00 13.27 ? 255 ARG A CZ 1 ATOM 2004 N NH1 . ARG A 1 255 ? 3.915 -1.214 26.780 1.00 10.54 ? 255 ARG A NH1 1 ATOM 2005 N NH2 . ARG A 1 255 ? 2.201 -1.377 25.264 1.00 10.61 ? 255 ARG A NH2 1 ATOM 2006 N N . ALA A 1 256 ? -0.139 5.589 25.052 1.00 16.32 ? 256 ALA A N 1 ATOM 2007 C CA . ALA A 1 256 ? -0.113 6.544 23.944 1.00 14.49 ? 256 ALA A CA 1 ATOM 2008 C C . ALA A 1 256 ? 0.348 7.975 24.232 1.00 14.36 ? 256 ALA A C 1 ATOM 2009 O O . ALA A 1 256 ? 0.974 8.597 23.373 1.00 15.46 ? 256 ALA A O 1 ATOM 2010 C CB . ALA A 1 256 ? -1.492 6.580 23.270 1.00 15.59 ? 256 ALA A CB 1 ATOM 2011 N N . SER A 1 257 ? 0.047 8.496 25.420 1.00 13.14 ? 257 SER A N 1 ATOM 2012 C CA . SER A 1 257 ? 0.403 9.879 25.772 1.00 14.40 ? 257 SER A CA 1 ATOM 2013 C C . SER A 1 257 ? 1.668 10.040 26.601 1.00 15.40 ? 257 SER A C 1 ATOM 2014 O O . SER A 1 257 ? 2.012 11.142 27.010 1.00 15.21 ? 257 SER A O 1 ATOM 2015 C CB . SER A 1 257 ? -0.755 10.545 26.534 1.00 14.46 ? 257 SER A CB 1 ATOM 2016 O OG . SER A 1 257 ? -1.947 10.559 25.764 1.00 16.37 ? 257 SER A OG 1 ATOM 2017 N N . GLU A 1 258 ? 2.423 8.909 26.836 1.00 15.87 ? 258 GLU A N 1 ATOM 2018 C CA . GLU A 1 258 ? 3.687 8.937 27.706 1.00 17.02 ? 258 GLU A CA 1 ATOM 2019 C C . GLU A 1 258 ? 4.613 10.070 27.285 1.00 16.72 ? 258 GLU A C 1 ATOM 2020 O O . GLU A 1 258 ? 5.234 10.701 28.126 1.00 17.53 ? 258 GLU A O 1 ATOM 2021 C CB . GLU A 1 258 ? 4.577 7.648 27.663 1.00 16.88 ? 258 GLU A CB 1 ATOM 2022 C CG . GLU A 1 258 ? 5.882 7.759 28.475 1.00 14.39 ? 258 GLU A CG 1 ATOM 2023 C CD . GLU A 1 258 ? 7.167 7.783 27.632 1.00 16.07 ? 258 GLU A CD 1 ATOM 2024 O OE1 . GLU A 1 258 ? 7.045 7.651 26.397 1.00 13.44 ? 258 GLU A OE1 1 ATOM 2025 O OE2 . GLU A 1 258 ? 8.269 7.946 28.195 1.00 15.06 ? 258 GLU A OE2 1 ATOM 2026 N N . GLN A 1 259 ? 4.723 10.330 26.003 1.00 15.92 ? 259 GLN A N 1 ATOM 2027 C CA . GLN A 1 259 ? 5.602 11.403 25.554 1.00 15.93 ? 259 GLN A CA 1 ATOM 2028 C C . GLN A 1 259 ? 4.990 11.890 24.246 1.00 17.32 ? 259 GLN A C 1 ATOM 2029 O O . GLN A 1 259 ? 4.339 11.130 23.533 1.00 19.41 ? 259 GLN A O 1 ATOM 2030 C CB . GLN A 1 259 ? 7.079 10.962 25.433 1.00 15.57 ? 259 GLN A CB 1 ATOM 2031 C CG . GLN A 1 259 ? 7.388 9.768 24.553 1.00 13.52 ? 259 GLN A CG 1 ATOM 2032 C CD . GLN A 1 259 ? 7.910 10.178 23.190 1.00 15.45 ? 259 GLN A CD 1 ATOM 2033 O OE1 . GLN A 1 259 ? 8.046 11.370 22.895 1.00 14.79 ? 259 GLN A OE1 1 ATOM 2034 N NE2 . GLN A 1 259 ? 8.208 9.193 22.351 1.00 13.17 ? 259 GLN A NE2 1 ATOM 2035 N N . ILE A 1 260 ? 5.177 13.169 23.957 1.00 18.67 ? 260 ILE A N 1 ATOM 2036 C CA . ILE A 1 260 ? 4.574 13.830 22.804 1.00 18.71 ? 260 ILE A CA 1 ATOM 2037 C C . ILE A 1 260 ? 4.779 13.231 21.412 1.00 19.89 ? 260 ILE A C 1 ATOM 2038 O O . ILE A 1 260 ? 3.866 13.261 20.570 1.00 20.19 ? 260 ILE A O 1 ATOM 2039 C CB . ILE A 1 260 ? 4.985 15.322 22.816 1.00 18.94 ? 260 ILE A CB 1 ATOM 2040 C CG1 . ILE A 1 260 ? 3.951 16.157 22.070 1.00 19.21 ? 260 ILE A CG1 1 ATOM 2041 C CG2 . ILE A 1 260 ? 6.391 15.488 22.253 1.00 16.90 ? 260 ILE A CG2 1 ATOM 2042 C CD1 . ILE A 1 260 ? 4.067 17.641 22.356 1.00 22.39 ? 260 ILE A CD1 1 ATOM 2043 N N . LEU A 1 261 ? 5.969 12.705 21.153 1.00 18.58 ? 261 LEU A N 1 ATOM 2044 C CA . LEU A 1 261 ? 6.242 12.098 19.860 1.00 18.93 ? 261 LEU A CA 1 ATOM 2045 C C . LEU A 1 261 ? 5.555 10.730 19.720 1.00 17.51 ? 261 LEU A C 1 ATOM 2046 O O . LEU A 1 261 ? 5.327 10.265 18.605 1.00 17.84 ? 261 LEU A O 1 ATOM 2047 C CB . LEU A 1 261 ? 7.753 11.976 19.646 1.00 19.04 ? 261 LEU A CB 1 ATOM 2048 C CG . LEU A 1 261 ? 8.548 13.045 18.868 1.00 20.10 ? 261 LEU A CG 1 ATOM 2049 C CD1 . LEU A 1 261 ? 7.854 14.399 18.804 1.00 22.40 ? 261 LEU A CD1 1 ATOM 2050 C CD2 . LEU A 1 261 ? 9.907 13.164 19.514 1.00 17.60 ? 261 LEU A CD2 1 ATOM 2051 N N . LEU A 1 262 ? 5.224 10.082 20.837 1.00 16.96 ? 262 LEU A N 1 ATOM 2052 C CA . LEU A 1 262 ? 4.528 8.798 20.756 1.00 16.48 ? 262 LEU A CA 1 ATOM 2053 C C . LEU A 1 262 ? 3.076 9.102 20.386 1.00 16.87 ? 262 LEU A C 1 ATOM 2054 O O . LEU A 1 262 ? 2.488 8.408 19.563 1.00 17.62 ? 262 LEU A O 1 ATOM 2055 C CB . LEU A 1 262 ? 4.591 8.029 22.089 1.00 14.55 ? 262 LEU A CB 1 ATOM 2056 C CG . LEU A 1 262 ? 3.795 6.710 22.227 1.00 16.88 ? 262 LEU A CG 1 ATOM 2057 C CD1 . LEU A 1 262 ? 4.217 5.697 21.159 1.00 12.01 ? 262 LEU A CD1 1 ATOM 2058 C CD2 . LEU A 1 262 ? 4.008 6.123 23.631 1.00 12.42 ? 262 LEU A CD2 1 ATOM 2059 N N . ALA A 1 263 ? 2.508 10.151 20.980 1.00 17.33 ? 263 ALA A N 1 ATOM 2060 C CA . ALA A 1 263 ? 1.125 10.543 20.689 1.00 17.77 ? 263 ALA A CA 1 ATOM 2061 C C . ALA A 1 263 ? 1.022 11.000 19.234 1.00 17.68 ? 263 ALA A C 1 ATOM 2062 O O . ALA A 1 263 ? -0.001 10.788 18.571 1.00 18.29 ? 263 ALA A O 1 ATOM 2063 C CB . ALA A 1 263 ? 0.684 11.662 21.622 1.00 17.15 ? 263 ALA A CB 1 ATOM 2064 N N . THR A 1 264 ? 2.089 11.633 18.749 1.00 15.73 ? 264 THR A N 1 ATOM 2065 C CA . THR A 1 264 ? 2.157 12.099 17.366 1.00 14.96 ? 264 THR A CA 1 ATOM 2066 C C . THR A 1 264 ? 2.091 10.898 16.421 1.00 15.07 ? 264 THR A C 1 ATOM 2067 O O . THR A 1 264 ? 1.288 10.882 15.495 1.00 16.75 ? 264 THR A O 1 ATOM 2068 C CB . THR A 1 264 ? 3.457 12.891 17.110 1.00 14.69 ? 264 THR A CB 1 ATOM 2069 O OG1 . THR A 1 264 ? 3.408 14.123 17.838 1.00 14.55 ? 264 THR A OG1 1 ATOM 2070 C CG2 . THR A 1 264 ? 3.620 13.195 15.630 1.00 14.51 ? 264 THR A CG2 1 ATOM 2071 N N . ALA A 1 265 ? 2.929 9.893 16.668 1.00 13.73 ? 265 ALA A N 1 ATOM 2072 C CA . ALA A 1 265 ? 2.934 8.682 15.856 1.00 13.25 ? 265 ALA A CA 1 ATOM 2073 C C . ALA A 1 265 ? 1.550 8.016 15.859 1.00 14.68 ? 265 ALA A C 1 ATOM 2074 O O . ALA A 1 265 ? 1.082 7.557 14.815 1.00 14.19 ? 265 ALA A O 1 ATOM 2075 C CB . ALA A 1 265 ? 3.992 7.705 16.377 1.00 12.17 ? 265 ALA A CB 1 ATOM 2076 N N . HIS A 1 266 ? 0.900 7.971 17.025 1.00 15.84 ? 266 HIS A N 1 ATOM 2077 C CA . HIS A 1 266 ? -0.434 7.369 17.160 1.00 16.28 ? 266 HIS A CA 1 ATOM 2078 C C . HIS A 1 266 ? -1.463 8.114 16.299 1.00 17.69 ? 266 HIS A C 1 ATOM 2079 O O . HIS A 1 266 ? -2.356 7.490 15.721 1.00 18.18 ? 266 HIS A O 1 ATOM 2080 C CB . HIS A 1 266 ? -0.898 7.395 18.635 1.00 16.57 ? 266 HIS A CB 1 ATOM 2081 C CG . HIS A 1 266 ? -0.642 6.124 19.401 1.00 17.22 ? 266 HIS A CG 1 ATOM 2082 N ND1 . HIS A 1 266 ? -1.489 5.036 19.350 1.00 16.94 ? 266 HIS A ND1 1 ATOM 2083 C CD2 . HIS A 1 266 ? 0.330 5.799 20.289 1.00 16.50 ? 266 HIS A CD2 1 ATOM 2084 C CE1 . HIS A 1 266 ? -1.054 4.100 20.177 1.00 17.20 ? 266 HIS A CE1 1 ATOM 2085 N NE2 . HIS A 1 266 ? 0.048 4.537 20.759 1.00 16.27 ? 266 HIS A NE2 1 ATOM 2086 N N . THR A 1 267 ? -1.342 9.442 16.230 1.00 17.18 ? 267 THR A N 1 ATOM 2087 C CA . THR A 1 267 ? -2.260 10.274 15.445 1.00 17.64 ? 267 THR A CA 1 ATOM 2088 C C . THR A 1 267 ? -2.146 9.981 13.949 1.00 18.32 ? 267 THR A C 1 ATOM 2089 O O . THR A 1 267 ? -3.153 9.927 13.242 1.00 18.28 ? 267 THR A O 1 ATOM 2090 C CB . THR A 1 267 ? -2.003 11.787 15.673 1.00 18.04 ? 267 THR A CB 1 ATOM 2091 O OG1 . THR A 1 267 ? -2.042 12.075 17.075 1.00 16.90 ? 267 THR A OG1 1 ATOM 2092 C CG2 . THR A 1 267 ? -3.070 12.624 14.969 1.00 16.37 ? 267 THR A CG2 1 ATOM 2093 N N . LEU A 1 268 ? -0.918 9.796 13.471 1.00 18.92 ? 268 LEU A N 1 ATOM 2094 C CA . LEU A 1 268 ? -0.678 9.477 12.066 1.00 20.36 ? 268 LEU A CA 1 ATOM 2095 C C . LEU A 1 268 ? -1.386 8.175 11.673 1.00 21.57 ? 268 LEU A C 1 ATOM 2096 O O . LEU A 1 268 ? -2.051 8.108 10.633 1.00 23.13 ? 268 LEU A O 1 ATOM 2097 C CB . LEU A 1 268 ? 0.827 9.336 11.807 1.00 19.64 ? 268 LEU A CB 1 ATOM 2098 C CG . LEU A 1 268 ? 1.647 10.494 11.206 1.00 22.62 ? 268 LEU A CG 1 ATOM 2099 C CD1 . LEU A 1 268 ? 0.835 11.776 11.128 1.00 22.34 ? 268 LEU A CD1 1 ATOM 2100 C CD2 . LEU A 1 268 ? 2.913 10.699 12.026 1.00 19.85 ? 268 LEU A CD2 1 ATOM 2101 N N . LEU A 1 269 ? -1.245 7.148 12.510 1.00 19.76 ? 269 LEU A N 1 ATOM 2102 C CA . LEU A 1 269 ? -1.857 5.850 12.246 1.00 19.73 ? 269 LEU A CA 1 ATOM 2103 C C . LEU A 1 269 ? -3.386 5.899 12.299 1.00 19.33 ? 269 LEU A C 1 ATOM 2104 O O . LEU A 1 269 ? -4.057 5.198 11.542 1.00 17.15 ? 269 LEU A O 1 ATOM 2105 C CB . LEU A 1 269 ? -1.314 4.809 13.231 1.00 18.37 ? 269 LEU A CB 1 ATOM 2106 C CG . LEU A 1 269 ? 0.218 4.669 13.218 1.00 21.85 ? 269 LEU A CG 1 ATOM 2107 C CD1 . LEU A 1 269 ? 0.665 3.722 14.330 1.00 21.30 ? 269 LEU A CD1 1 ATOM 2108 C CD2 . LEU A 1 269 ? 0.700 4.169 11.852 1.00 20.07 ? 269 LEU A CD2 1 ATOM 2109 N N . LEU A 1 270 ? -3.934 6.717 13.194 1.00 20.00 ? 270 LEU A N 1 ATOM 2110 C CA . LEU A 1 270 ? -5.384 6.856 13.300 1.00 21.32 ? 270 LEU A CA 1 ATOM 2111 C C . LEU A 1 270 ? -5.886 7.531 12.030 1.00 22.88 ? 270 LEU A C 1 ATOM 2112 O O . LEU A 1 270 ? -6.932 7.167 11.489 1.00 24.80 ? 270 LEU A O 1 ATOM 2113 C CB . LEU A 1 270 ? -5.765 7.730 14.492 1.00 21.64 ? 270 LEU A CB 1 ATOM 2114 C CG . LEU A 1 270 ? -7.244 8.127 14.495 1.00 22.83 ? 270 LEU A CG 1 ATOM 2115 C CD1 . LEU A 1 270 ? -8.070 7.015 15.116 1.00 23.65 ? 270 LEU A CD1 1 ATOM 2116 C CD2 . LEU A 1 270 ? -7.432 9.419 15.257 1.00 24.85 ? 270 LEU A CD2 1 ATOM 2117 N N . ARG A 1 271 ? -5.146 8.535 11.572 1.00 21.04 ? 271 ARG A N 1 ATOM 2118 C CA . ARG A 1 271 ? -5.524 9.239 10.358 1.00 21.75 ? 271 ARG A CA 1 ATOM 2119 C C . ARG A 1 271 ? -5.460 8.291 9.163 1.00 21.96 ? 271 ARG A C 1 ATOM 2120 O O . ARG A 1 271 ? -6.337 8.316 8.302 1.00 22.67 ? 271 ARG A O 1 ATOM 2121 C CB . ARG A 1 271 ? -4.609 10.447 10.122 1.00 19.61 ? 271 ARG A CB 1 ATOM 2122 C CG . ARG A 1 271 ? -4.814 11.574 11.112 1.00 18.44 ? 271 ARG A CG 1 ATOM 2123 C CD . ARG A 1 271 ? -3.986 12.804 10.746 1.00 18.17 ? 271 ARG A CD 1 ATOM 2124 N NE . ARG A 1 271 ? -4.082 13.834 11.777 1.00 16.99 ? 271 ARG A NE 1 ATOM 2125 C CZ . ARG A 1 271 ? -3.278 14.887 11.859 1.00 17.49 ? 271 ARG A CZ 1 ATOM 2126 N NH1 . ARG A 1 271 ? -2.315 15.053 10.967 1.00 17.09 ? 271 ARG A NH1 1 ATOM 2127 N NH2 . ARG A 1 271 ? -3.434 15.769 12.837 1.00 16.68 ? 271 ARG A NH2 1 ATOM 2128 N N . GLU A 1 272 ? -4.434 7.448 9.114 1.00 20.67 ? 272 GLU A N 1 ATOM 2129 C CA . GLU A 1 272 ? -4.294 6.512 8.008 1.00 20.55 ? 272 GLU A CA 1 ATOM 2130 C C . GLU A 1 272 ? -5.440 5.500 7.926 1.00 21.29 ? 272 GLU A C 1 ATOM 2131 O O . GLU A 1 272 ? -5.822 5.100 6.825 1.00 20.83 ? 272 GLU A O 1 ATOM 2132 C CB . GLU A 1 272 ? -2.951 5.787 8.096 1.00 20.50 ? 272 GLU A CB 1 ATOM 2133 C CG . GLU A 1 272 ? -2.706 4.754 7.004 1.00 21.55 ? 272 GLU A CG 1 ATOM 2134 C CD . GLU A 1 272 ? -2.708 5.331 5.590 1.00 22.85 ? 272 GLU A CD 1 ATOM 2135 O OE1 . GLU A 1 272 ? -2.796 6.567 5.425 1.00 22.63 ? 272 GLU A OE1 1 ATOM 2136 O OE2 . GLU A 1 272 ? -2.611 4.532 4.636 1.00 21.68 ? 272 GLU A OE2 1 ATOM 2137 N N . HIS A 1 273 ? -5.987 5.079 9.069 1.00 20.88 ? 273 HIS A N 1 ATOM 2138 C CA . HIS A 1 273 ? -7.103 4.137 9.041 1.00 21.46 ? 273 HIS A CA 1 ATOM 2139 C C . HIS A 1 273 ? -8.317 4.814 8.406 1.00 23.09 ? 273 HIS A C 1 ATOM 2140 O O . HIS A 1 273 ? -9.016 4.223 7.577 1.00 23.26 ? 273 HIS A O 1 ATOM 2141 C CB . HIS A 1 273 ? -7.497 3.662 10.445 1.00 22.07 ? 273 HIS A CB 1 ATOM 2142 C CG . HIS A 1 273 ? -8.826 2.961 10.486 1.00 21.47 ? 273 HIS A CG 1 ATOM 2143 N ND1 . HIS A 1 273 ? -8.958 1.592 10.381 1.00 22.14 ? 273 HIS A ND1 1 ATOM 2144 C CD2 . HIS A 1 273 ? -10.086 3.452 10.573 1.00 21.54 ? 273 HIS A CD2 1 ATOM 2145 C CE1 . HIS A 1 273 ? -10.240 1.271 10.405 1.00 22.60 ? 273 HIS A CE1 1 ATOM 2146 N NE2 . HIS A 1 273 ? -10.946 2.381 10.521 1.00 23.21 ? 273 HIS A NE2 1 ATOM 2147 N N . ASN A 1 274 ? -8.580 6.053 8.807 1.00 22.46 ? 274 ASN A N 1 ATOM 2148 C CA . ASN A 1 274 ? -9.714 6.769 8.258 1.00 23.03 ? 274 ASN A CA 1 ATOM 2149 C C . ASN A 1 274 ? -9.517 7.083 6.783 1.00 23.73 ? 274 ASN A C 1 ATOM 2150 O O . ASN A 1 274 ? -10.459 6.983 6.003 1.00 25.40 ? 274 ASN A O 1 ATOM 2151 C CB . ASN A 1 274 ? -9.985 8.039 9.067 1.00 22.90 ? 274 ASN A CB 1 ATOM 2152 C CG . ASN A 1 274 ? -10.610 7.733 10.416 1.00 22.88 ? 274 ASN A CG 1 ATOM 2153 O OD1 . ASN A 1 274 ? -11.109 6.630 10.644 1.00 24.42 ? 274 ASN A OD1 1 ATOM 2154 N ND2 . ASN A 1 274 ? -10.597 8.708 11.310 1.00 22.86 ? 274 ASN A ND2 1 ATOM 2155 N N . ARG A 1 275 ? -8.300 7.447 6.391 1.00 23.50 ? 275 ARG A N 1 ATOM 2156 C CA . ARG A 1 275 ? -8.028 7.734 4.987 1.00 23.37 ? 275 ARG A CA 1 ATOM 2157 C C . ARG A 1 275 ? -8.346 6.493 4.152 1.00 24.83 ? 275 ARG A C 1 ATOM 2158 O O . ARG A 1 275 ? -9.002 6.584 3.118 1.00 26.61 ? 275 ARG A O 1 ATOM 2159 C CB . ARG A 1 275 ? -6.556 8.109 4.781 1.00 23.42 ? 275 ARG A CB 1 ATOM 2160 C CG . ARG A 1 275 ? -6.239 8.578 3.367 1.00 22.23 ? 275 ARG A CG 1 ATOM 2161 C CD . ARG A 1 275 ? -4.741 8.725 3.134 1.00 23.70 ? 275 ARG A CD 1 ATOM 2162 N NE . ARG A 1 275 ? -4.074 7.429 3.039 1.00 24.73 ? 275 ARG A NE 1 ATOM 2163 C CZ . ARG A 1 275 ? -3.975 6.715 1.924 1.00 25.94 ? 275 ARG A CZ 1 ATOM 2164 N NH1 . ARG A 1 275 ? -4.495 7.170 0.791 1.00 27.19 ? 275 ARG A NH1 1 ATOM 2165 N NH2 . ARG A 1 275 ? -3.361 5.539 1.942 1.00 26.62 ? 275 ARG A NH2 1 ATOM 2166 N N . LEU A 1 276 ? -7.868 5.342 4.622 1.00 25.36 ? 276 LEU A N 1 ATOM 2167 C CA . LEU A 1 276 ? -8.055 4.041 3.978 1.00 26.10 ? 276 LEU A CA 1 ATOM 2168 C C . LEU A 1 276 ? -9.515 3.652 3.846 1.00 27.15 ? 276 LEU A C 1 ATOM 2169 O O . LEU A 1 276 ? -9.947 3.188 2.790 1.00 27.78 ? 276 LEU A O 1 ATOM 2170 C CB . LEU A 1 276 ? -7.366 2.958 4.806 1.00 26.75 ? 276 LEU A CB 1 ATOM 2171 C CG . LEU A 1 276 ? -6.067 2.222 4.464 1.00 27.13 ? 276 LEU A CG 1 ATOM 2172 C CD1 . LEU A 1 276 ? -5.264 2.889 3.363 1.00 26.92 ? 276 LEU A CD1 1 ATOM 2173 C CD2 . LEU A 1 276 ? -5.274 2.119 5.757 1.00 25.80 ? 276 LEU A CD2 1 ATOM 2174 N N . ALA A 1 277 ? -10.260 3.812 4.938 1.00 28.17 ? 277 ALA A N 1 ATOM 2175 C CA . ALA A 1 277 ? -11.675 3.462 4.969 1.00 30.47 ? 277 ALA A CA 1 ATOM 2176 C C . ALA A 1 277 ? -12.532 4.264 3.999 1.00 31.56 ? 277 ALA A C 1 ATOM 2177 O O . ALA A 1 277 ? -13.480 3.725 3.434 1.00 32.71 ? 277 ALA A O 1 ATOM 2178 C CB . ALA A 1 277 ? -12.228 3.600 6.390 1.00 29.69 ? 277 ALA A CB 1 ATOM 2179 N N . ARG A 1 278 ? -12.230 5.544 3.800 1.00 33.95 ? 278 ARG A N 1 ATOM 2180 C CA . ARG A 1 278 ? -13.044 6.304 2.861 1.00 37.62 ? 278 ARG A CA 1 ATOM 2181 C C . ARG A 1 278 ? -12.619 6.075 1.411 1.00 38.23 ? 278 ARG A C 1 ATOM 2182 O O . ARG A 1 278 ? -13.425 6.241 0.495 1.00 38.85 ? 278 ARG A O 1 ATOM 2183 C CB . ARG A 1 278 ? -13.095 7.804 3.217 1.00 38.98 ? 278 ARG A CB 1 ATOM 2184 C CG . ARG A 1 278 ? -11.785 8.544 3.366 1.00 42.87 ? 278 ARG A CG 1 ATOM 2185 C CD . ARG A 1 278 ? -12.052 9.992 3.803 1.00 45.06 ? 278 ARG A CD 1 ATOM 2186 N NE . ARG A 1 278 ? -12.663 10.088 5.132 1.00 48.26 ? 278 ARG A NE 1 ATOM 2187 C CZ . ARG A 1 278 ? -12.044 10.570 6.210 1.00 50.22 ? 278 ARG A CZ 1 ATOM 2188 N NH1 . ARG A 1 278 ? -10.791 11.003 6.118 1.00 49.54 ? 278 ARG A NH1 1 ATOM 2189 N NH2 . ARG A 1 278 ? -12.673 10.622 7.382 1.00 49.06 ? 278 ARG A NH2 1 ATOM 2190 N N . GLU A 1 279 ? -11.367 5.673 1.202 1.00 38.45 ? 279 GLU A N 1 ATOM 2191 C CA . GLU A 1 279 ? -10.884 5.368 -0.145 1.00 38.66 ? 279 GLU A CA 1 ATOM 2192 C C . GLU A 1 279 ? -11.447 4.006 -0.556 1.00 38.11 ? 279 GLU A C 1 ATOM 2193 O O . GLU A 1 279 ? -11.621 3.732 -1.742 1.00 37.71 ? 279 GLU A O 1 ATOM 2194 C CB . GLU A 1 279 ? -9.351 5.287 -0.196 1.00 39.78 ? 279 GLU A CB 1 ATOM 2195 C CG . GLU A 1 279 ? -8.607 6.613 -0.125 1.00 41.95 ? 279 GLU A CG 1 ATOM 2196 C CD . GLU A 1 279 ? -9.020 7.594 -1.213 1.00 43.42 ? 279 GLU A CD 1 ATOM 2197 O OE1 . GLU A 1 279 ? -9.159 7.175 -2.384 1.00 44.28 ? 279 GLU A OE1 1 ATOM 2198 O OE2 . GLU A 1 279 ? -9.192 8.791 -0.893 1.00 45.31 ? 279 GLU A OE2 1 ATOM 2199 N N . LEU A 1 280 ? -11.715 3.152 0.431 1.00 36.79 ? 280 LEU A N 1 ATOM 2200 C CA . LEU A 1 280 ? -12.249 1.819 0.168 1.00 36.10 ? 280 LEU A CA 1 ATOM 2201 C C . LEU A 1 280 ? -13.742 1.886 -0.083 1.00 36.24 ? 280 LEU A C 1 ATOM 2202 O O . LEU A 1 280 ? -14.306 1.018 -0.741 1.00 35.69 ? 280 LEU A O 1 ATOM 2203 C CB . LEU A 1 280 ? -11.970 0.880 1.346 1.00 34.88 ? 280 LEU A CB 1 ATOM 2204 C CG . LEU A 1 280 ? -10.591 0.216 1.414 1.00 35.19 ? 280 LEU A CG 1 ATOM 2205 C CD1 . LEU A 1 280 ? -10.441 -0.524 2.737 1.00 32.71 ? 280 LEU A CD1 1 ATOM 2206 C CD2 . LEU A 1 280 ? -10.426 -0.740 0.238 1.00 35.01 ? 280 LEU A CD2 1 ATOM 2207 N N . LYS A 1 281 ? -14.375 2.918 0.459 1.00 37.82 ? 281 LYS A N 1 ATOM 2208 C CA . LYS A 1 281 ? -15.806 3.129 0.288 1.00 40.21 ? 281 LYS A CA 1 ATOM 2209 C C . LYS A 1 281 ? -16.039 3.693 -1.117 1.00 41.04 ? 281 LYS A C 1 ATOM 2210 O O . LYS A 1 281 ? -17.083 3.466 -1.728 1.00 41.49 ? 281 LYS A O 1 ATOM 2211 C CB . LYS A 1 281 ? -16.304 4.104 1.364 1.00 40.88 ? 281 LYS A CB 1 ATOM 2212 C CG . LYS A 1 281 ? -17.713 4.655 1.175 1.00 42.61 ? 281 LYS A CG 1 ATOM 2213 C CD . LYS A 1 281 ? -18.778 3.574 1.215 1.00 44.42 ? 281 LYS A CD 1 ATOM 2214 C CE . LYS A 1 281 ? -20.167 4.194 1.305 1.00 45.01 ? 281 LYS A CE 1 ATOM 2215 N NZ . LYS A 1 281 ? -21.233 3.168 1.475 1.00 46.14 ? 281 LYS A NZ 1 ATOM 2216 N N . LYS A 1 282 ? -15.049 4.418 -1.627 1.00 41.68 ? 282 LYS A N 1 ATOM 2217 C CA . LYS A 1 282 ? -15.134 5.000 -2.960 1.00 42.47 ? 282 LYS A CA 1 ATOM 2218 C C . LYS A 1 282 ? -15.123 3.884 -3.993 1.00 41.99 ? 282 LYS A C 1 ATOM 2219 O O . LYS A 1 282 ? -15.872 3.917 -4.967 1.00 43.39 ? 282 LYS A O 1 ATOM 2220 C CB . LYS A 1 282 ? -13.948 5.925 -3.209 1.00 42.13 ? 282 LYS A CB 1 ATOM 2221 C CG . LYS A 1 282 ? -14.155 6.911 -4.337 1.00 45.53 ? 282 LYS A CG 1 ATOM 2222 C CD . LYS A 1 282 ? -13.600 8.260 -3.927 1.00 47.57 ? 282 LYS A CD 1 ATOM 2223 C CE . LYS A 1 282 ? -14.135 8.651 -2.549 1.00 47.69 ? 282 LYS A CE 1 ATOM 2224 N NZ . LYS A 1 282 ? -13.364 9.765 -1.936 1.00 49.21 ? 282 LYS A NZ 1 ATOM 2225 N N . LEU A 1 283 ? -14.271 2.892 -3.755 1.00 40.85 ? 283 LEU A N 1 ATOM 2226 C CA . LEU A 1 283 ? -14.109 1.751 -4.648 1.00 40.20 ? 283 LEU A CA 1 ATOM 2227 C C . LEU A 1 283 ? -15.148 0.660 -4.455 1.00 39.27 ? 283 LEU A C 1 ATOM 2228 O O . LEU A 1 283 ? -15.427 -0.098 -5.377 1.00 40.74 ? 283 LEU A O 1 ATOM 2229 C CB . LEU A 1 283 ? -12.728 1.128 -4.445 1.00 41.22 ? 283 LEU A CB 1 ATOM 2230 C CG . LEU A 1 283 ? -11.488 1.887 -4.905 1.00 40.65 ? 283 LEU A CG 1 ATOM 2231 C CD1 . LEU A 1 283 ? -10.248 1.238 -4.304 1.00 41.32 ? 283 LEU A CD1 1 ATOM 2232 C CD2 . LEU A 1 283 ? -11.425 1.872 -6.420 1.00 41.25 ? 283 LEU A CD2 1 ATOM 2233 N N . ASN A 1 284 ? -15.712 0.570 -3.259 1.00 37.26 ? 284 ASN A N 1 ATOM 2234 C CA . ASN A 1 284 ? -16.687 -0.473 -2.977 1.00 37.18 ? 284 ASN A CA 1 ATOM 2235 C C . ASN A 1 284 ? -17.860 0.093 -2.175 1.00 38.49 ? 284 ASN A C 1 ATOM 2236 O O . ASN A 1 284 ? -18.019 -0.203 -0.986 1.00 38.07 ? 284 ASN A O 1 ATOM 2237 C CB . ASN A 1 284 ? -15.991 -1.601 -2.212 1.00 36.37 ? 284 ASN A CB 1 ATOM 2238 C CG . ASN A 1 284 ? -14.771 -2.141 -2.954 1.00 37.56 ? 284 ASN A CG 1 ATOM 2239 O OD1 . ASN A 1 284 ? -14.891 -2.687 -4.050 1.00 35.94 ? 284 ASN A OD1 1 ATOM 2240 N ND2 . ASN A 1 284 ? -13.591 -1.984 -2.358 1.00 37.29 ? 284 ASN A ND2 1 ATOM 2241 N N . PRO A 1 285 ? -18.722 0.887 -2.838 1.00 39.12 ? 285 PRO A N 1 ATOM 2242 C CA . PRO A 1 285 ? -19.897 1.534 -2.238 1.00 38.65 ? 285 PRO A CA 1 ATOM 2243 C C . PRO A 1 285 ? -20.863 0.625 -1.494 1.00 38.06 ? 285 PRO A C 1 ATOM 2244 O O . PRO A 1 285 ? -21.599 1.087 -0.623 1.00 37.91 ? 285 PRO A O 1 ATOM 2245 C CB . PRO A 1 285 ? -20.571 2.216 -3.430 1.00 38.90 ? 285 PRO A CB 1 ATOM 2246 C CG . PRO A 1 285 ? -19.452 2.387 -4.426 1.00 38.74 ? 285 PRO A CG 1 ATOM 2247 C CD . PRO A 1 285 ? -18.718 1.088 -4.298 1.00 38.33 ? 285 PRO A CD 1 ATOM 2248 N N . HIS A 1 286 ? -20.856 -0.662 -1.830 1.00 38.24 ? 286 HIS A N 1 ATOM 2249 C CA . HIS A 1 286 ? -21.762 -1.622 -1.198 1.00 38.72 ? 286 HIS A CA 1 ATOM 2250 C C . HIS A 1 286 ? -21.297 -2.199 0.138 1.00 38.32 ? 286 HIS A C 1 ATOM 2251 O O . HIS A 1 286 ? -22.113 -2.700 0.917 1.00 39.01 ? 286 HIS A O 1 ATOM 2252 C CB . HIS A 1 286 ? -22.057 -2.768 -2.161 1.00 40.12 ? 286 HIS A CB 1 ATOM 2253 C CG . HIS A 1 286 ? -20.832 -3.463 -2.664 1.00 42.07 ? 286 HIS A CG 1 ATOM 2254 N ND1 . HIS A 1 286 ? -19.877 -2.827 -3.428 1.00 42.83 ? 286 HIS A ND1 1 ATOM 2255 C CD2 . HIS A 1 286 ? -20.415 -4.744 -2.528 1.00 42.53 ? 286 HIS A CD2 1 ATOM 2256 C CE1 . HIS A 1 286 ? -18.925 -3.688 -3.744 1.00 43.11 ? 286 HIS A CE1 1 ATOM 2257 N NE2 . HIS A 1 286 ? -19.228 -4.857 -3.210 1.00 44.52 ? 286 HIS A NE2 1 ATOM 2258 N N . TRP A 1 287 ? -19.992 -2.140 0.394 1.00 37.94 ? 287 TRP A N 1 ATOM 2259 C CA . TRP A 1 287 ? -19.425 -2.646 1.641 1.00 35.75 ? 287 TRP A CA 1 ATOM 2260 C C . TRP A 1 287 ? -20.019 -1.924 2.845 1.00 34.74 ? 287 TRP A C 1 ATOM 2261 O O . TRP A 1 287 ? -20.203 -0.704 2.817 1.00 33.94 ? 287 TRP A O 1 ATOM 2262 C CB . TRP A 1 287 ? -17.905 -2.454 1.644 1.00 36.27 ? 287 TRP A CB 1 ATOM 2263 C CG . TRP A 1 287 ? -17.143 -3.489 0.870 1.00 36.43 ? 287 TRP A CG 1 ATOM 2264 C CD1 . TRP A 1 287 ? -17.663 -4.515 0.130 1.00 36.48 ? 287 TRP A CD1 1 ATOM 2265 C CD2 . TRP A 1 287 ? -15.718 -3.612 0.782 1.00 36.12 ? 287 TRP A CD2 1 ATOM 2266 N NE1 . TRP A 1 287 ? -16.649 -5.271 -0.411 1.00 36.10 ? 287 TRP A NE1 1 ATOM 2267 C CE2 . TRP A 1 287 ? -15.445 -4.740 -0.028 1.00 35.88 ? 287 TRP A CE2 1 ATOM 2268 C CE3 . TRP A 1 287 ? -14.644 -2.881 1.309 1.00 35.36 ? 287 TRP A CE3 1 ATOM 2269 C CZ2 . TRP A 1 287 ? -14.142 -5.154 -0.324 1.00 34.95 ? 287 TRP A CZ2 1 ATOM 2270 C CZ3 . TRP A 1 287 ? -13.346 -3.294 1.016 1.00 35.11 ? 287 TRP A CZ3 1 ATOM 2271 C CH2 . TRP A 1 287 ? -13.109 -4.423 0.205 1.00 35.64 ? 287 TRP A CH2 1 ATOM 2272 N N . ASN A 1 288 ? -20.325 -2.676 3.899 1.00 33.44 ? 288 ASN A N 1 ATOM 2273 C CA . ASN A 1 288 ? -20.868 -2.076 5.112 1.00 34.10 ? 288 ASN A CA 1 ATOM 2274 C C . ASN A 1 288 ? -19.740 -1.563 6.020 1.00 33.66 ? 288 ASN A C 1 ATOM 2275 O O . ASN A 1 288 ? -18.559 -1.770 5.731 1.00 32.89 ? 288 ASN A O 1 ATOM 2276 C CB . ASN A 1 288 ? -21.752 -3.083 5.866 1.00 35.52 ? 288 ASN A CB 1 ATOM 2277 C CG . ASN A 1 288 ? -21.032 -4.378 6.194 1.00 37.79 ? 288 ASN A CG 1 ATOM 2278 O OD1 . ASN A 1 288 ? -19.864 -4.560 5.856 1.00 38.92 ? 288 ASN A OD1 1 ATOM 2279 N ND2 . ASN A 1 288 ? -21.734 -5.291 6.859 1.00 39.85 ? 288 ASN A ND2 1 ATOM 2280 N N . GLY A 1 289 ? -20.112 -0.891 7.108 1.00 32.41 ? 289 GLY A N 1 ATOM 2281 C CA . GLY A 1 289 ? -19.133 -0.346 8.036 1.00 32.05 ? 289 GLY A CA 1 ATOM 2282 C C . GLY A 1 289 ? -18.117 -1.333 8.586 1.00 31.88 ? 289 GLY A C 1 ATOM 2283 O O . GLY A 1 289 ? -16.914 -1.058 8.599 1.00 31.62 ? 289 GLY A O 1 ATOM 2284 N N . GLU A 1 290 ? -18.606 -2.482 9.040 1.00 30.83 ? 290 GLU A N 1 ATOM 2285 C CA . GLU A 1 290 ? -17.757 -3.529 9.593 1.00 31.00 ? 290 GLU A CA 1 ATOM 2286 C C . GLU A 1 290 ? -16.708 -3.983 8.577 1.00 31.12 ? 290 GLU A C 1 ATOM 2287 O O . GLU A 1 290 ? -15.532 -4.151 8.914 1.00 30.02 ? 290 GLU A O 1 ATOM 2288 C CB . GLU A 1 290 ? -18.622 -4.719 10.011 1.00 31.63 ? 290 GLU A CB 1 ATOM 2289 C CG . GLU A 1 290 ? -17.887 -5.854 10.689 1.00 33.29 ? 290 GLU A CG 1 ATOM 2290 C CD . GLU A 1 290 ? -17.376 -5.473 12.060 1.00 34.67 ? 290 GLU A CD 1 ATOM 2291 O OE1 . GLU A 1 290 ? -17.953 -4.547 12.670 1.00 34.69 ? 290 GLU A OE1 1 ATOM 2292 O OE2 . GLU A 1 290 ? -16.402 -6.105 12.532 1.00 35.60 ? 290 GLU A OE2 1 ATOM 2293 N N . LYS A 1 291 ? -17.139 -4.181 7.333 1.00 30.04 ? 291 LYS A N 1 ATOM 2294 C CA . LYS A 1 291 ? -16.236 -4.622 6.273 1.00 28.78 ? 291 LYS A CA 1 ATOM 2295 C C . LYS A 1 291 ? -15.193 -3.547 5.992 1.00 26.72 ? 291 LYS A C 1 ATOM 2296 O O . LYS A 1 291 ? -14.035 -3.861 5.725 1.00 27.33 ? 291 LYS A O 1 ATOM 2297 C CB . LYS A 1 291 ? -17.027 -4.941 4.995 1.00 29.70 ? 291 LYS A CB 1 ATOM 2298 C CG . LYS A 1 291 ? -16.192 -5.387 3.793 1.00 31.30 ? 291 LYS A CG 1 ATOM 2299 C CD . LYS A 1 291 ? -15.959 -6.884 3.784 1.00 32.87 ? 291 LYS A CD 1 ATOM 2300 C CE . LYS A 1 291 ? -15.229 -7.327 2.522 1.00 34.63 ? 291 LYS A CE 1 ATOM 2301 N NZ . LYS A 1 291 ? -14.916 -8.798 2.554 1.00 37.91 ? 291 LYS A NZ 1 ATOM 2302 N N . LEU A 1 292 ? -15.598 -2.280 6.039 1.00 25.61 ? 292 LEU A N 1 ATOM 2303 C CA . LEU A 1 292 ? -14.652 -1.189 5.802 1.00 25.54 ? 292 LEU A CA 1 ATOM 2304 C C . LEU A 1 292 ? -13.609 -1.125 6.929 1.00 24.44 ? 292 LEU A C 1 ATOM 2305 O O . LEU A 1 292 ? -12.419 -0.929 6.681 1.00 22.02 ? 292 LEU A O 1 ATOM 2306 C CB . LEU A 1 292 ? -15.370 0.170 5.705 1.00 26.72 ? 292 LEU A CB 1 ATOM 2307 C CG . LEU A 1 292 ? -15.984 0.734 4.406 1.00 28.67 ? 292 LEU A CG 1 ATOM 2308 C CD1 . LEU A 1 292 ? -15.001 0.627 3.238 1.00 27.88 ? 292 LEU A CD1 1 ATOM 2309 C CD2 . LEU A 1 292 ? -17.257 0.007 4.085 1.00 27.92 ? 292 LEU A CD2 1 ATOM 2310 N N . TYR A 1 293 ? -14.070 -1.293 8.166 1.00 23.32 ? 293 TYR A N 1 ATOM 2311 C CA . TYR A 1 293 ? -13.199 -1.257 9.337 1.00 23.25 ? 293 TYR A CA 1 ATOM 2312 C C . TYR A 1 293 ? -12.148 -2.363 9.280 1.00 22.53 ? 293 TYR A C 1 ATOM 2313 O O . TYR A 1 293 ? -10.952 -2.084 9.321 1.00 21.83 ? 293 TYR A O 1 ATOM 2314 C CB . TYR A 1 293 ? -14.045 -1.389 10.608 1.00 21.57 ? 293 TYR A CB 1 ATOM 2315 C CG . TYR A 1 293 ? -13.267 -1.668 11.878 1.00 22.64 ? 293 TYR A CG 1 ATOM 2316 C CD1 . TYR A 1 293 ? -12.591 -0.647 12.558 1.00 22.36 ? 293 TYR A CD1 1 ATOM 2317 C CD2 . TYR A 1 293 ? -13.219 -2.960 12.410 1.00 21.75 ? 293 TYR A CD2 1 ATOM 2318 C CE1 . TYR A 1 293 ? -11.890 -0.913 13.741 1.00 23.09 ? 293 TYR A CE1 1 ATOM 2319 C CE2 . TYR A 1 293 ? -12.521 -3.236 13.588 1.00 22.37 ? 293 TYR A CE2 1 ATOM 2320 C CZ . TYR A 1 293 ? -11.859 -2.211 14.250 1.00 23.48 ? 293 TYR A CZ 1 ATOM 2321 O OH . TYR A 1 293 ? -11.164 -2.485 15.413 1.00 22.02 ? 293 TYR A OH 1 ATOM 2322 N N . GLN A 1 294 ? -12.605 -3.608 9.166 1.00 21.91 ? 294 GLN A N 1 ATOM 2323 C CA . GLN A 1 294 ? -11.728 -4.774 9.112 1.00 22.83 ? 294 GLN A CA 1 ATOM 2324 C C . GLN A 1 294 ? -10.737 -4.743 7.955 1.00 23.98 ? 294 GLN A C 1 ATOM 2325 O O . GLN A 1 294 ? -9.578 -5.141 8.102 1.00 23.12 ? 294 GLN A O 1 ATOM 2326 C CB . GLN A 1 294 ? -12.557 -6.055 8.991 1.00 21.54 ? 294 GLN A CB 1 ATOM 2327 C CG . GLN A 1 294 ? -13.434 -6.374 10.184 1.00 24.14 ? 294 GLN A CG 1 ATOM 2328 C CD . GLN A 1 294 ? -12.638 -6.733 11.421 1.00 24.05 ? 294 GLN A CD 1 ATOM 2329 O OE1 . GLN A 1 294 ? -11.448 -7.038 11.344 1.00 23.17 ? 294 GLN A OE1 1 ATOM 2330 N NE2 . GLN A 1 294 ? -13.299 -6.717 12.569 1.00 24.89 ? 294 GLN A NE2 1 ATOM 2331 N N . GLU A 1 295 ? -11.201 -4.286 6.797 1.00 25.00 ? 295 GLU A N 1 ATOM 2332 C CA . GLU A 1 295 ? -10.356 -4.243 5.613 1.00 25.10 ? 295 GLU A CA 1 ATOM 2333 C C . GLU A 1 295 ? -9.323 -3.131 5.763 1.00 24.11 ? 295 GLU A C 1 ATOM 2334 O O . GLU A 1 295 ? -8.180 -3.288 5.343 1.00 24.06 ? 295 GLU A O 1 ATOM 2335 C CB . GLU A 1 295 ? -11.225 -4.048 4.363 1.00 26.51 ? 295 GLU A CB 1 ATOM 2336 C CG . GLU A 1 295 ? -10.674 -4.651 3.062 1.00 28.78 ? 295 GLU A CG 1 ATOM 2337 C CD . GLU A 1 295 ? -10.593 -6.171 3.064 1.00 28.18 ? 295 GLU A CD 1 ATOM 2338 O OE1 . GLU A 1 295 ? -11.483 -6.833 3.636 1.00 29.21 ? 295 GLU A OE1 1 ATOM 2339 O OE2 . GLU A 1 295 ? -9.638 -6.706 2.467 1.00 31.12 ? 295 GLU A OE2 1 ATOM 2340 N N . ALA A 1 296 ? -9.717 -2.012 6.368 1.00 22.55 ? 296 ALA A N 1 ATOM 2341 C CA . ALA A 1 296 ? -8.772 -0.921 6.602 1.00 22.40 ? 296 ALA A CA 1 ATOM 2342 C C . ALA A 1 296 ? -7.753 -1.415 7.647 1.00 21.95 ? 296 ALA A C 1 ATOM 2343 O O . ALA A 1 296 ? -6.547 -1.213 7.504 1.00 20.47 ? 296 ALA A O 1 ATOM 2344 C CB . ALA A 1 296 ? -9.502 0.323 7.121 1.00 20.45 ? 296 ALA A CB 1 ATOM 2345 N N . ARG A 1 297 ? -8.271 -2.072 8.683 1.00 21.33 ? 297 ARG A N 1 ATOM 2346 C CA . ARG A 1 297 ? -7.481 -2.632 9.778 1.00 21.91 ? 297 ARG A CA 1 ATOM 2347 C C . ARG A 1 297 ? -6.404 -3.611 9.287 1.00 22.51 ? 297 ARG A C 1 ATOM 2348 O O . ARG A 1 297 ? -5.247 -3.548 9.711 1.00 23.29 ? 297 ARG A O 1 ATOM 2349 C CB . ARG A 1 297 ? -8.430 -3.331 10.765 1.00 19.77 ? 297 ARG A CB 1 ATOM 2350 C CG . ARG A 1 297 ? -7.737 -4.104 11.862 1.00 18.96 ? 297 ARG A CG 1 ATOM 2351 C CD . ARG A 1 297 ? -8.683 -4.503 12.983 1.00 17.56 ? 297 ARG A CD 1 ATOM 2352 N NE . ARG A 1 297 ? -7.981 -5.341 13.944 1.00 17.55 ? 297 ARG A NE 1 ATOM 2353 C CZ . ARG A 1 297 ? -8.236 -6.629 14.150 1.00 17.95 ? 297 ARG A CZ 1 ATOM 2354 N NH1 . ARG A 1 297 ? -9.194 -7.243 13.470 1.00 16.81 ? 297 ARG A NH1 1 ATOM 2355 N NH2 . ARG A 1 297 ? -7.507 -7.312 15.021 1.00 18.21 ? 297 ARG A NH2 1 ATOM 2356 N N . LYS A 1 298 ? -6.799 -4.503 8.384 1.00 22.95 ? 298 LYS A N 1 ATOM 2357 C CA . LYS A 1 298 ? -5.922 -5.520 7.805 1.00 22.14 ? 298 LYS A CA 1 ATOM 2358 C C . LYS A 1 298 ? -4.765 -4.884 7.032 1.00 22.07 ? 298 LYS A C 1 ATOM 2359 O O . LYS A 1 298 ? -3.625 -5.347 7.104 1.00 21.55 ? 298 LYS A O 1 ATOM 2360 C CB . LYS A 1 298 ? -6.755 -6.419 6.878 1.00 21.19 ? 298 LYS A CB 1 ATOM 2361 C CG . LYS A 1 298 ? -6.024 -7.589 6.237 1.00 20.11 ? 298 LYS A CG 1 ATOM 2362 C CD . LYS A 1 298 ? -7.018 -8.465 5.456 1.00 23.06 ? 298 LYS A CD 1 ATOM 2363 C CE . LYS A 1 298 ? -6.392 -9.781 5.005 1.00 23.22 ? 298 LYS A CE 1 ATOM 2364 N NZ . LYS A 1 298 ? -7.386 -10.714 4.391 1.00 24.18 ? 298 LYS A NZ 1 ATOM 2365 N N . ILE A 1 299 ? -5.064 -3.827 6.287 1.00 22.23 ? 299 ILE A N 1 ATOM 2366 C CA . ILE A 1 299 ? -4.042 -3.137 5.513 1.00 24.23 ? 299 ILE A CA 1 ATOM 2367 C C . ILE A 1 299 ? -3.041 -2.428 6.441 1.00 23.60 ? 299 ILE A C 1 ATOM 2368 O O . ILE A 1 299 ? -1.829 -2.537 6.249 1.00 23.53 ? 299 ILE A O 1 ATOM 2369 C CB . ILE A 1 299 ? -4.677 -2.098 4.531 1.00 26.48 ? 299 ILE A CB 1 ATOM 2370 C CG1 . ILE A 1 299 ? -5.272 -2.796 3.297 1.00 27.75 ? 299 ILE A CG1 1 ATOM 2371 C CG2 . ILE A 1 299 ? -3.607 -1.118 4.040 1.00 26.11 ? 299 ILE A CG2 1 ATOM 2372 C CD1 . ILE A 1 299 ? -6.220 -3.947 3.587 1.00 35.75 ? 299 ILE A CD1 1 ATOM 2373 N N . LEU A 1 300 ? -3.541 -1.709 7.446 1.00 22.55 ? 300 LEU A N 1 ATOM 2374 C CA . LEU A 1 300 ? -2.658 -1.007 8.378 1.00 21.97 ? 300 LEU A CA 1 ATOM 2375 C C . LEU A 1 300 ? -1.710 -1.969 9.120 1.00 21.45 ? 300 LEU A C 1 ATOM 2376 O O . LEU A 1 300 ? -0.537 -1.651 9.345 1.00 19.22 ? 300 LEU A O 1 ATOM 2377 C CB . LEU A 1 300 ? -3.478 -0.197 9.393 1.00 22.32 ? 300 LEU A CB 1 ATOM 2378 C CG . LEU A 1 300 ? -2.655 0.809 10.219 1.00 25.50 ? 300 LEU A CG 1 ATOM 2379 C CD1 . LEU A 1 300 ? -1.938 1.775 9.278 1.00 22.73 ? 300 LEU A CD1 1 ATOM 2380 C CD2 . LEU A 1 300 ? -3.552 1.579 11.178 1.00 24.12 ? 300 LEU A CD2 1 ATOM 2381 N N . GLY A 1 301 ? -2.219 -3.139 9.497 1.00 20.96 ? 301 GLY A N 1 ATOM 2382 C CA . GLY A 1 301 ? -1.389 -4.111 10.191 1.00 21.01 ? 301 GLY A CA 1 ATOM 2383 C C . GLY A 1 301 ? -0.291 -4.622 9.277 1.00 20.88 ? 301 GLY A C 1 ATOM 2384 O O . GLY A 1 301 ? 0.811 -4.936 9.723 1.00 19.49 ? 301 GLY A O 1 ATOM 2385 N N . ALA A 1 302 ? -0.601 -4.705 7.987 1.00 20.49 ? 302 ALA A N 1 ATOM 2386 C CA . ALA A 1 302 ? 0.358 -5.168 6.992 1.00 19.90 ? 302 ALA A CA 1 ATOM 2387 C C . ALA A 1 302 ? 1.440 -4.102 6.826 1.00 19.41 ? 302 ALA A C 1 ATOM 2388 O O . ALA A 1 302 ? 2.606 -4.413 6.597 1.00 19.48 ? 302 ALA A O 1 ATOM 2389 C CB . ALA A 1 302 ? -0.347 -5.419 5.669 1.00 17.84 ? 302 ALA A CB 1 ATOM 2390 N N . PHE A 1 303 ? 1.037 -2.842 6.946 1.00 18.17 ? 303 PHE A N 1 ATOM 2391 C CA . PHE A 1 303 ? 1.956 -1.714 6.839 1.00 18.75 ? 303 PHE A CA 1 ATOM 2392 C C . PHE A 1 303 ? 2.988 -1.732 7.996 1.00 17.96 ? 303 PHE A C 1 ATOM 2393 O O . PHE A 1 303 ? 4.189 -1.528 7.772 1.00 17.04 ? 303 PHE A O 1 ATOM 2394 C CB . PHE A 1 303 ? 1.143 -0.407 6.841 1.00 18.47 ? 303 PHE A CB 1 ATOM 2395 C CG . PHE A 1 303 ? 1.976 0.846 6.949 1.00 18.70 ? 303 PHE A CG 1 ATOM 2396 C CD1 . PHE A 1 303 ? 2.388 1.539 5.810 1.00 18.74 ? 303 PHE A CD1 1 ATOM 2397 C CD2 . PHE A 1 303 ? 2.330 1.347 8.203 1.00 19.24 ? 303 PHE A CD2 1 ATOM 2398 C CE1 . PHE A 1 303 ? 3.142 2.721 5.924 1.00 19.55 ? 303 PHE A CE1 1 ATOM 2399 C CE2 . PHE A 1 303 ? 3.079 2.517 8.328 1.00 18.83 ? 303 PHE A CE2 1 ATOM 2400 C CZ . PHE A 1 303 ? 3.486 3.206 7.187 1.00 19.89 ? 303 PHE A CZ 1 ATOM 2401 N N . ILE A 1 304 ? 2.524 -1.973 9.221 1.00 17.04 ? 304 ILE A N 1 ATOM 2402 C CA . ILE A 1 304 ? 3.422 -2.022 10.382 1.00 17.29 ? 304 ILE A CA 1 ATOM 2403 C C . ILE A 1 304 ? 4.439 -3.142 10.192 1.00 15.41 ? 304 ILE A C 1 ATOM 2404 O O . ILE A 1 304 ? 5.633 -2.954 10.410 1.00 12.78 ? 304 ILE A O 1 ATOM 2405 C CB . ILE A 1 304 ? 2.663 -2.309 11.695 1.00 19.73 ? 304 ILE A CB 1 ATOM 2406 C CG1 . ILE A 1 304 ? 1.491 -1.343 11.850 1.00 20.08 ? 304 ILE A CG1 1 ATOM 2407 C CG2 . ILE A 1 304 ? 3.613 -2.163 12.899 1.00 18.05 ? 304 ILE A CG2 1 ATOM 2408 C CD1 . ILE A 1 304 ? 0.703 -1.567 13.130 1.00 27.94 ? 304 ILE A CD1 1 ATOM 2409 N N . GLN A 1 305 ? 3.947 -4.309 9.791 1.00 14.66 ? 305 GLN A N 1 ATOM 2410 C CA . GLN A 1 305 ? 4.796 -5.468 9.554 1.00 15.93 ? 305 GLN A CA 1 ATOM 2411 C C . GLN A 1 305 ? 5.857 -5.185 8.486 1.00 15.86 ? 305 GLN A C 1 ATOM 2412 O O . GLN A 1 305 ? 7.026 -5.532 8.651 1.00 16.35 ? 305 GLN A O 1 ATOM 2413 C CB . GLN A 1 305 ? 3.941 -6.666 9.121 1.00 16.32 ? 305 GLN A CB 1 ATOM 2414 C CG . GLN A 1 305 ? 3.039 -7.242 10.210 1.00 15.59 ? 305 GLN A CG 1 ATOM 2415 C CD . GLN A 1 305 ? 2.322 -8.489 9.751 1.00 16.09 ? 305 GLN A CD 1 ATOM 2416 O OE1 . GLN A 1 305 ? 2.190 -8.727 8.553 1.00 16.13 ? 305 GLN A OE1 1 ATOM 2417 N NE2 . GLN A 1 305 ? 1.842 -9.288 10.697 1.00 16.34 ? 305 GLN A NE2 1 ATOM 2418 N N . ILE A 1 306 ? 5.452 -4.543 7.396 1.00 17.87 ? 306 ILE A N 1 ATOM 2419 C CA . ILE A 1 306 ? 6.378 -4.242 6.313 1.00 18.16 ? 306 ILE A CA 1 ATOM 2420 C C . ILE A 1 306 ? 7.452 -3.239 6.710 1.00 16.76 ? 306 ILE A C 1 ATOM 2421 O O . ILE A 1 306 ? 8.636 -3.499 6.514 1.00 18.39 ? 306 ILE A O 1 ATOM 2422 C CB . ILE A 1 306 ? 5.613 -3.756 5.066 1.00 18.75 ? 306 ILE A CB 1 ATOM 2423 C CG1 . ILE A 1 306 ? 4.770 -4.916 4.520 1.00 19.20 ? 306 ILE A CG1 1 ATOM 2424 C CG2 . ILE A 1 306 ? 6.592 -3.264 4.000 1.00 20.99 ? 306 ILE A CG2 1 ATOM 2425 C CD1 . ILE A 1 306 ? 3.768 -4.524 3.456 1.00 19.16 ? 306 ILE A CD1 1 ATOM 2426 N N . ILE A 1 307 ? 7.054 -2.107 7.280 1.00 16.78 ? 307 ILE A N 1 ATOM 2427 C CA . ILE A 1 307 ? 8.031 -1.107 7.707 1.00 18.21 ? 307 ILE A CA 1 ATOM 2428 C C . ILE A 1 307 ? 8.996 -1.737 8.724 1.00 17.55 ? 307 ILE A C 1 ATOM 2429 O O . ILE A 1 307 ? 10.218 -1.596 8.616 1.00 17.60 ? 307 ILE A O 1 ATOM 2430 C CB . ILE A 1 307 ? 7.336 0.136 8.347 1.00 17.72 ? 307 ILE A CB 1 ATOM 2431 C CG1 . ILE A 1 307 ? 6.331 0.746 7.356 1.00 21.00 ? 307 ILE A CG1 1 ATOM 2432 C CG2 . ILE A 1 307 ? 8.379 1.180 8.750 1.00 19.01 ? 307 ILE A CG2 1 ATOM 2433 C CD1 . ILE A 1 307 ? 6.930 1.191 6.032 1.00 18.67 ? 307 ILE A CD1 1 ATOM 2434 N N . THR A 1 308 ? 8.440 -2.459 9.691 1.00 16.94 ? 308 THR A N 1 ATOM 2435 C CA . THR A 1 308 ? 9.243 -3.097 10.722 1.00 15.96 ? 308 THR A CA 1 ATOM 2436 C C . THR A 1 308 ? 10.281 -4.082 10.180 1.00 15.78 ? 308 THR A C 1 ATOM 2437 O O . THR A 1 308 ? 11.461 -3.975 10.514 1.00 15.51 ? 308 THR A O 1 ATOM 2438 C CB . THR A 1 308 ? 8.337 -3.821 11.754 1.00 17.11 ? 308 THR A CB 1 ATOM 2439 O OG1 . THR A 1 308 ? 7.422 -2.876 12.317 1.00 15.26 ? 308 THR A OG1 1 ATOM 2440 C CG2 . THR A 1 308 ? 9.172 -4.434 12.887 1.00 16.43 ? 308 THR A CG2 1 ATOM 2441 N N . PHE A 1 309 ? 9.861 -5.021 9.332 1.00 16.19 ? 309 PHE A N 1 ATOM 2442 C CA . PHE A 1 309 ? 10.796 -6.024 8.815 1.00 16.40 ? 309 PHE A CA 1 ATOM 2443 C C . PHE A 1 309 ? 11.670 -5.625 7.627 1.00 17.32 ? 309 PHE A C 1 ATOM 2444 O O . PHE A 1 309 ? 12.801 -6.105 7.500 1.00 17.53 ? 309 PHE A O 1 ATOM 2445 C CB . PHE A 1 309 ? 10.055 -7.331 8.494 1.00 14.10 ? 309 PHE A CB 1 ATOM 2446 C CG . PHE A 1 309 ? 9.845 -8.218 9.694 1.00 15.74 ? 309 PHE A CG 1 ATOM 2447 C CD1 . PHE A 1 309 ? 8.966 -7.849 10.712 1.00 13.94 ? 309 PHE A CD1 1 ATOM 2448 C CD2 . PHE A 1 309 ? 10.538 -9.419 9.813 1.00 13.07 ? 309 PHE A CD2 1 ATOM 2449 C CE1 . PHE A 1 309 ? 8.783 -8.670 11.831 1.00 14.15 ? 309 PHE A CE1 1 ATOM 2450 C CE2 . PHE A 1 309 ? 10.364 -10.238 10.922 1.00 14.51 ? 309 PHE A CE2 1 ATOM 2451 C CZ . PHE A 1 309 ? 9.482 -9.863 11.935 1.00 12.75 ? 309 PHE A CZ 1 ATOM 2452 N N . ARG A 1 310 ? 11.166 -4.751 6.762 1.00 16.91 ? 310 ARG A N 1 ATOM 2453 C CA . ARG A 1 310 ? 11.940 -4.336 5.596 1.00 16.88 ? 310 ARG A CA 1 ATOM 2454 C C . ARG A 1 310 ? 12.877 -3.178 5.892 1.00 16.79 ? 310 ARG A C 1 ATOM 2455 O O . ARG A 1 310 ? 14.045 -3.204 5.499 1.00 17.42 ? 310 ARG A O 1 ATOM 2456 C CB . ARG A 1 310 ? 11.014 -3.927 4.440 1.00 15.55 ? 310 ARG A CB 1 ATOM 2457 C CG . ARG A 1 310 ? 11.740 -3.701 3.104 1.00 16.00 ? 310 ARG A CG 1 ATOM 2458 C CD . ARG A 1 310 ? 10.860 -2.946 2.116 1.00 14.85 ? 310 ARG A CD 1 ATOM 2459 N NE . ARG A 1 310 ? 10.540 -1.612 2.628 1.00 17.83 ? 310 ARG A NE 1 ATOM 2460 C CZ . ARG A 1 310 ? 9.451 -0.925 2.303 1.00 17.27 ? 310 ARG A CZ 1 ATOM 2461 N NH1 . ARG A 1 310 ? 8.567 -1.440 1.457 1.00 18.19 ? 310 ARG A NH1 1 ATOM 2462 N NH2 . ARG A 1 310 ? 9.234 0.267 2.838 1.00 15.62 ? 310 ARG A NH2 1 ATOM 2463 N N . ASP A 1 311 ? 12.369 -2.171 6.596 1.00 17.78 ? 311 ASP A N 1 ATOM 2464 C CA . ASP A 1 311 ? 13.150 -0.972 6.894 1.00 19.45 ? 311 ASP A CA 1 ATOM 2465 C C . ASP A 1 311 ? 13.828 -0.835 8.268 1.00 20.22 ? 311 ASP A C 1 ATOM 2466 O O . ASP A 1 311 ? 14.959 -0.348 8.349 1.00 22.04 ? 311 ASP A O 1 ATOM 2467 C CB . ASP A 1 311 ? 12.281 0.277 6.680 1.00 19.83 ? 311 ASP A CB 1 ATOM 2468 C CG . ASP A 1 311 ? 11.644 0.331 5.301 1.00 20.47 ? 311 ASP A CG 1 ATOM 2469 O OD1 . ASP A 1 311 ? 12.240 -0.191 4.338 1.00 22.38 ? 311 ASP A OD1 1 ATOM 2470 O OD2 . ASP A 1 311 ? 10.553 0.921 5.175 1.00 22.51 ? 311 ASP A OD2 1 ATOM 2471 N N . TYR A 1 312 ? 13.149 -1.257 9.335 1.00 18.37 ? 312 TYR A N 1 ATOM 2472 C CA . TYR A 1 312 ? 13.666 -1.100 10.698 1.00 16.79 ? 312 TYR A CA 1 ATOM 2473 C C . TYR A 1 312 ? 14.606 -2.178 11.243 1.00 16.32 ? 312 TYR A C 1 ATOM 2474 O O . TYR A 1 312 ? 15.698 -1.863 11.719 1.00 16.75 ? 312 TYR A O 1 ATOM 2475 C CB . TYR A 1 312 ? 12.479 -0.904 11.662 1.00 17.07 ? 312 TYR A CB 1 ATOM 2476 C CG . TYR A 1 312 ? 12.841 -0.780 13.132 1.00 16.10 ? 312 TYR A CG 1 ATOM 2477 C CD1 . TYR A 1 312 ? 13.344 0.417 13.659 1.00 15.79 ? 312 TYR A CD1 1 ATOM 2478 C CD2 . TYR A 1 312 ? 12.672 -1.861 13.997 1.00 15.00 ? 312 TYR A CD2 1 ATOM 2479 C CE1 . TYR A 1 312 ? 13.669 0.531 15.016 1.00 13.81 ? 312 TYR A CE1 1 ATOM 2480 C CE2 . TYR A 1 312 ? 12.991 -1.759 15.351 1.00 17.12 ? 312 TYR A CE2 1 ATOM 2481 C CZ . TYR A 1 312 ? 13.489 -0.561 15.854 1.00 15.47 ? 312 TYR A CZ 1 ATOM 2482 O OH . TYR A 1 312 ? 13.801 -0.470 17.191 1.00 15.98 ? 312 TYR A OH 1 ATOM 2483 N N . LEU A 1 313 ? 14.200 -3.442 11.179 1.00 15.08 ? 313 LEU A N 1 ATOM 2484 C CA . LEU A 1 313 ? 15.043 -4.510 11.709 1.00 15.84 ? 313 LEU A CA 1 ATOM 2485 C C . LEU A 1 313 ? 16.438 -4.650 11.090 1.00 16.99 ? 313 LEU A C 1 ATOM 2486 O O . LEU A 1 313 ? 17.398 -4.940 11.809 1.00 16.10 ? 313 LEU A O 1 ATOM 2487 C CB . LEU A 1 313 ? 14.301 -5.854 11.661 1.00 14.50 ? 313 LEU A CB 1 ATOM 2488 C CG . LEU A 1 313 ? 13.113 -5.939 12.635 1.00 18.28 ? 313 LEU A CG 1 ATOM 2489 C CD1 . LEU A 1 313 ? 12.468 -7.317 12.561 1.00 15.62 ? 313 LEU A CD1 1 ATOM 2490 C CD2 . LEU A 1 313 ? 13.579 -5.641 14.063 1.00 14.69 ? 313 LEU A CD2 1 ATOM 2491 N N . PRO A 1 314 ? 16.578 -4.454 9.759 1.00 18.05 ? 314 PRO A N 1 ATOM 2492 C CA . PRO A 1 314 ? 17.910 -4.581 9.155 1.00 17.23 ? 314 PRO A CA 1 ATOM 2493 C C . PRO A 1 314 ? 18.907 -3.579 9.730 1.00 17.94 ? 314 PRO A C 1 ATOM 2494 O O . PRO A 1 314 ? 20.115 -3.833 9.746 1.00 16.67 ? 314 PRO A O 1 ATOM 2495 C CB . PRO A 1 314 ? 17.651 -4.320 7.669 1.00 18.39 ? 314 PRO A CB 1 ATOM 2496 C CG . PRO A 1 314 ? 16.263 -4.798 7.463 1.00 17.99 ? 314 PRO A CG 1 ATOM 2497 C CD . PRO A 1 314 ? 15.545 -4.304 8.713 1.00 18.78 ? 314 PRO A CD 1 ATOM 2498 N N . ILE A 1 315 ? 18.412 -2.435 10.194 1.00 19.17 ? 315 ILE A N 1 ATOM 2499 C CA . ILE A 1 315 ? 19.320 -1.443 10.743 1.00 19.55 ? 315 ILE A CA 1 ATOM 2500 C C . ILE A 1 315 ? 19.446 -1.483 12.270 1.00 19.91 ? 315 ILE A C 1 ATOM 2501 O O . ILE A 1 315 ? 20.145 -0.664 12.858 1.00 19.60 ? 315 ILE A O 1 ATOM 2502 C CB . ILE A 1 315 ? 18.999 -0.003 10.222 1.00 20.65 ? 315 ILE A CB 1 ATOM 2503 C CG1 . ILE A 1 315 ? 17.655 0.502 10.746 1.00 22.17 ? 315 ILE A CG1 1 ATOM 2504 C CG2 . ILE A 1 315 ? 18.973 -0.011 8.690 1.00 21.77 ? 315 ILE A CG2 1 ATOM 2505 C CD1 . ILE A 1 315 ? 17.416 1.987 10.437 1.00 20.39 ? 315 ILE A CD1 1 ATOM 2506 N N . VAL A 1 316 ? 18.762 -2.429 12.911 1.00 19.84 ? 316 VAL A N 1 ATOM 2507 C CA . VAL A 1 316 ? 18.923 -2.621 14.352 1.00 19.12 ? 316 VAL A CA 1 ATOM 2508 C C . VAL A 1 316 ? 19.877 -3.827 14.429 1.00 20.44 ? 316 VAL A C 1 ATOM 2509 O O . VAL A 1 316 ? 20.933 -3.764 15.055 1.00 20.68 ? 316 VAL A O 1 ATOM 2510 C CB . VAL A 1 316 ? 17.597 -2.995 15.089 1.00 19.57 ? 316 VAL A CB 1 ATOM 2511 C CG1 . VAL A 1 316 ? 17.892 -3.360 16.551 1.00 17.02 ? 316 VAL A CG1 1 ATOM 2512 C CG2 . VAL A 1 316 ? 16.622 -1.829 15.046 1.00 17.57 ? 316 VAL A CG2 1 ATOM 2513 N N . LEU A 1 317 ? 19.506 -4.907 13.745 1.00 20.04 ? 317 LEU A N 1 ATOM 2514 C CA . LEU A 1 317 ? 20.286 -6.142 13.734 1.00 20.53 ? 317 LEU A CA 1 ATOM 2515 C C . LEU A 1 317 ? 21.585 -6.110 12.922 1.00 21.27 ? 317 LEU A C 1 ATOM 2516 O O . LEU A 1 317 ? 22.525 -6.833 13.241 1.00 21.14 ? 317 LEU A O 1 ATOM 2517 C CB . LEU A 1 317 ? 19.400 -7.297 13.258 1.00 19.85 ? 317 LEU A CB 1 ATOM 2518 C CG . LEU A 1 317 ? 18.613 -8.100 14.307 1.00 23.09 ? 317 LEU A CG 1 ATOM 2519 C CD1 . LEU A 1 317 ? 18.316 -7.264 15.542 1.00 21.04 ? 317 LEU A CD1 1 ATOM 2520 C CD2 . LEU A 1 317 ? 17.330 -8.627 13.679 1.00 19.87 ? 317 LEU A CD2 1 ATOM 2521 N N . GLY A 1 318 ? 21.641 -5.283 11.881 1.00 21.29 ? 318 GLY A N 1 ATOM 2522 C CA . GLY A 1 318 ? 22.849 -5.189 11.078 1.00 22.55 ? 318 GLY A CA 1 ATOM 2523 C C . GLY A 1 318 ? 23.231 -6.502 10.424 1.00 24.00 ? 318 GLY A C 1 ATOM 2524 O O . GLY A 1 318 ? 22.378 -7.196 9.877 1.00 23.09 ? 318 GLY A O 1 ATOM 2525 N N . SER A 1 319 ? 24.510 -6.856 10.487 1.00 25.19 ? 319 SER A N 1 ATOM 2526 C CA . SER A 1 319 ? 24.968 -8.088 9.865 1.00 27.16 ? 319 SER A CA 1 ATOM 2527 C C . SER A 1 319 ? 24.420 -9.352 10.522 1.00 27.52 ? 319 SER A C 1 ATOM 2528 O O . SER A 1 319 ? 24.534 -10.434 9.958 1.00 27.59 ? 319 SER A O 1 ATOM 2529 C CB . SER A 1 319 ? 26.501 -8.122 9.821 1.00 28.81 ? 319 SER A CB 1 ATOM 2530 O OG . SER A 1 319 ? 27.066 -7.960 11.111 1.00 31.40 ? 319 SER A OG 1 ATOM 2531 N N . GLU A 1 320 ? 23.813 -9.222 11.699 1.00 27.94 ? 320 GLU A N 1 ATOM 2532 C CA . GLU A 1 320 ? 23.232 -10.382 12.382 1.00 28.15 ? 320 GLU A CA 1 ATOM 2533 C C . GLU A 1 320 ? 21.830 -10.712 11.859 1.00 27.62 ? 320 GLU A C 1 ATOM 2534 O O . GLU A 1 320 ? 21.290 -11.773 12.160 1.00 27.81 ? 320 GLU A O 1 ATOM 2535 C CB . GLU A 1 320 ? 23.137 -10.139 13.894 1.00 28.66 ? 320 GLU A CB 1 ATOM 2536 C CG . GLU A 1 320 ? 24.468 -9.948 14.612 1.00 31.08 ? 320 GLU A CG 1 ATOM 2537 C CD . GLU A 1 320 ? 25.249 -11.238 14.769 1.00 32.03 ? 320 GLU A CD 1 ATOM 2538 O OE1 . GLU A 1 320 ? 24.890 -12.068 15.633 1.00 32.62 ? 320 GLU A OE1 1 ATOM 2539 O OE2 . GLU A 1 320 ? 26.223 -11.419 14.013 1.00 34.14 ? 320 GLU A OE2 1 ATOM 2540 N N . MET A 1 321 ? 21.246 -9.805 11.081 1.00 28.09 ? 321 MET A N 1 ATOM 2541 C CA . MET A 1 321 ? 19.896 -9.995 10.552 1.00 30.18 ? 321 MET A CA 1 ATOM 2542 C C . MET A 1 321 ? 19.639 -11.341 9.861 1.00 32.49 ? 321 MET A C 1 ATOM 2543 O O . MET A 1 321 ? 18.689 -12.033 10.210 1.00 32.88 ? 321 MET A O 1 ATOM 2544 C CB . MET A 1 321 ? 19.544 -8.847 9.599 1.00 29.15 ? 321 MET A CB 1 ATOM 2545 C CG . MET A 1 321 ? 18.187 -8.979 8.901 1.00 29.85 ? 321 MET A CG 1 ATOM 2546 S SD . MET A 1 321 ? 16.755 -8.264 9.748 1.00 30.03 ? 321 MET A SD 1 ATOM 2547 C CE . MET A 1 321 ? 15.434 -8.703 8.630 1.00 27.81 ? 321 MET A CE 1 ATOM 2548 N N . GLN A 1 322 ? 20.480 -11.719 8.898 1.00 35.19 ? 322 GLN A N 1 ATOM 2549 C CA . GLN A 1 322 ? 20.298 -12.983 8.167 1.00 38.16 ? 322 GLN A CA 1 ATOM 2550 C C . GLN A 1 322 ? 20.516 -14.201 9.050 1.00 36.98 ? 322 GLN A C 1 ATOM 2551 O O . GLN A 1 322 ? 19.937 -15.263 8.825 1.00 37.49 ? 322 GLN A O 1 ATOM 2552 C CB . GLN A 1 322 ? 21.279 -13.087 7.000 1.00 41.43 ? 322 GLN A CB 1 ATOM 2553 C CG . GLN A 1 322 ? 21.516 -11.809 6.229 1.00 47.18 ? 322 GLN A CG 1 ATOM 2554 C CD . GLN A 1 322 ? 22.627 -11.972 5.202 1.00 50.43 ? 322 GLN A CD 1 ATOM 2555 O OE1 . GLN A 1 322 ? 23.640 -11.264 5.240 1.00 51.49 ? 322 GLN A OE1 1 ATOM 2556 N NE2 . GLN A 1 322 ? 22.443 -12.917 4.279 1.00 52.01 ? 322 GLN A NE2 1 ATOM 2557 N N . LYS A 1 323 ? 21.385 -14.045 10.037 1.00 36.49 ? 323 LYS A N 1 ATOM 2558 C CA . LYS A 1 323 ? 21.700 -15.116 10.965 1.00 35.39 ? 323 LYS A CA 1 ATOM 2559 C C . LYS A 1 323 ? 20.484 -15.581 11.761 1.00 34.65 ? 323 LYS A C 1 ATOM 2560 O O . LYS A 1 323 ? 20.276 -16.781 11.942 1.00 36.01 ? 323 LYS A O 1 ATOM 2561 C CB . LYS A 1 323 ? 22.804 -14.645 11.911 1.00 36.66 ? 323 LYS A CB 1 ATOM 2562 C CG . LYS A 1 323 ? 22.945 -15.438 13.191 1.00 38.99 ? 323 LYS A CG 1 ATOM 2563 C CD . LYS A 1 323 ? 24.319 -15.204 13.799 1.00 41.04 ? 323 LYS A CD 1 ATOM 2564 C CE . LYS A 1 323 ? 24.459 -15.880 15.154 1.00 43.29 ? 323 LYS A CE 1 ATOM 2565 N NZ . LYS A 1 323 ? 24.037 -17.317 15.118 1.00 45.03 ? 323 LYS A NZ 1 ATOM 2566 N N . TRP A 1 324 ? 19.672 -14.631 12.216 1.00 32.11 ? 324 TRP A N 1 ATOM 2567 C CA . TRP A 1 324 ? 18.500 -14.983 13.055 1.00 30.66 ? 324 TRP A CA 1 ATOM 2568 C C . TRP A 1 324 ? 17.173 -15.075 12.319 1.00 29.94 ? 324 TRP A C 1 ATOM 2569 O O . TRP A 1 324 ? 16.271 -15.825 12.725 1.00 30.45 ? 324 TRP A O 1 ATOM 2570 C CB . TRP A 1 324 ? 18.379 -13.988 14.241 1.00 29.22 ? 324 TRP A CB 1 ATOM 2571 C CG . TRP A 1 324 ? 19.646 -13.990 15.023 1.00 29.47 ? 324 TRP A CG 1 ATOM 2572 C CD1 . TRP A 1 324 ? 20.650 -13.059 15.010 1.00 29.36 ? 324 TRP A CD1 1 ATOM 2573 C CD2 . TRP A 1 324 ? 20.067 -15.024 15.910 1.00 28.79 ? 324 TRP A CD2 1 ATOM 2574 N NE1 . TRP A 1 324 ? 21.676 -13.460 15.836 1.00 29.75 ? 324 TRP A NE1 1 ATOM 2575 C CE2 . TRP A 1 324 ? 21.342 -14.664 16.400 1.00 29.01 ? 324 TRP A CE2 1 ATOM 2576 C CE3 . TRP A 1 324 ? 19.493 -16.229 16.335 1.00 29.17 ? 324 TRP A CE3 1 ATOM 2577 C CZ2 . TRP A 1 324 ? 22.051 -15.466 17.298 1.00 28.85 ? 324 TRP A CZ2 1 ATOM 2578 C CZ3 . TRP A 1 324 ? 20.195 -17.026 17.223 1.00 28.21 ? 324 TRP A CZ3 1 ATOM 2579 C CH2 . TRP A 1 324 ? 21.463 -16.642 17.695 1.00 29.45 ? 324 TRP A CH2 1 ATOM 2580 N N . ILE A 1 325 ? 17.055 -14.268 11.304 1.00 30.74 ? 325 ILE A N 1 ATOM 2581 C CA . ILE A 1 325 ? 15.855 -14.080 10.507 1.00 31.57 ? 325 ILE A CA 1 ATOM 2582 C C . ILE A 1 325 ? 16.129 -14.554 9.112 1.00 32.35 ? 325 ILE A C 1 ATOM 2583 O O . ILE A 1 325 ? 16.798 -13.848 8.362 1.00 31.78 ? 325 ILE A O 1 ATOM 2584 C CB . ILE A 1 325 ? 15.503 -12.566 10.488 1.00 32.40 ? 325 ILE A CB 1 ATOM 2585 C CG1 . ILE A 1 325 ? 15.799 -11.937 11.861 1.00 32.52 ? 325 ILE A CG1 1 ATOM 2586 C CG2 . ILE A 1 325 ? 14.066 -12.346 10.061 1.00 31.56 ? 325 ILE A CG2 1 ATOM 2587 C CD1 . ILE A 1 325 ? 14.642 -11.154 12.442 1.00 36.62 ? 325 ILE A CD1 1 ATOM 2588 N N . PRO A 1 326 ? 15.720 -15.786 8.722 1.00 33.48 ? 326 PRO A N 1 ATOM 2589 C CA . PRO A 1 326 ? 15.919 -16.340 7.326 1.00 33.91 ? 326 PRO A CA 1 ATOM 2590 C C . PRO A 1 326 ? 14.942 -15.749 6.385 1.00 35.19 ? 326 PRO A C 1 ATOM 2591 O O . PRO A 1 326 ? 13.951 -15.202 6.858 1.00 34.77 ? 326 PRO A O 1 ATOM 2592 C CB . PRO A 1 326 ? 15.628 -17.795 7.407 1.00 34.15 ? 326 PRO A CB 1 ATOM 2593 C CG . PRO A 1 326 ? 16.258 -18.081 8.725 1.00 33.91 ? 326 PRO A CG 1 ATOM 2594 C CD . PRO A 1 326 ? 16.378 -16.807 9.517 1.00 34.67 ? 326 PRO A CD 1 ATOM 2595 N N . PRO A 1 327 ? 15.142 -15.791 5.104 1.00 36.15 ? 327 PRO A N 1 ATOM 2596 C CA . PRO A 1 327 ? 13.987 -15.393 4.289 1.00 35.44 ? 327 PRO A CA 1 ATOM 2597 C C . PRO A 1 327 ? 12.736 -16.209 4.594 1.00 33.69 ? 327 PRO A C 1 ATOM 2598 O O . PRO A 1 327 ? 12.816 -17.407 4.864 1.00 32.74 ? 327 PRO A O 1 ATOM 2599 C CB . PRO A 1 327 ? 14.478 -15.599 2.850 1.00 36.77 ? 327 PRO A CB 1 ATOM 2600 C CG . PRO A 1 327 ? 15.997 -15.690 2.977 1.00 36.11 ? 327 PRO A CG 1 ATOM 2601 C CD . PRO A 1 327 ? 16.172 -16.426 4.263 1.00 36.08 ? 327 PRO A CD 1 ATOM 2602 N N . TYR A 1 328 ? 11.586 -15.546 4.547 1.00 31.62 ? 328 TYR A N 1 ATOM 2603 C CA . TYR A 1 328 ? 10.296 -16.170 4.825 1.00 30.69 ? 328 TYR A CA 1 ATOM 2604 C C . TYR A 1 328 ? 9.993 -17.395 3.953 1.00 32.97 ? 328 TYR A C 1 ATOM 2605 O O . TYR A 1 328 ? 10.103 -17.347 2.721 1.00 31.51 ? 328 TYR A O 1 ATOM 2606 C CB . TYR A 1 328 ? 9.192 -15.128 4.657 1.00 28.33 ? 328 TYR A CB 1 ATOM 2607 C CG . TYR A 1 328 ? 7.821 -15.592 5.079 1.00 26.78 ? 328 TYR A CG 1 ATOM 2608 C CD1 . TYR A 1 328 ? 7.567 -15.998 6.392 1.00 25.56 ? 328 TYR A CD1 1 ATOM 2609 C CD2 . TYR A 1 328 ? 6.768 -15.604 4.171 1.00 26.74 ? 328 TYR A CD2 1 ATOM 2610 C CE1 . TYR A 1 328 ? 6.290 -16.404 6.784 1.00 23.64 ? 328 TYR A CE1 1 ATOM 2611 C CE2 . TYR A 1 328 ? 5.492 -16.004 4.552 1.00 24.84 ? 328 TYR A CE2 1 ATOM 2612 C CZ . TYR A 1 328 ? 5.260 -16.401 5.854 1.00 23.59 ? 328 TYR A CZ 1 ATOM 2613 O OH . TYR A 1 328 ? 3.994 -16.788 6.214 1.00 22.04 ? 328 TYR A OH 1 ATOM 2614 N N . GLN A 1 329 ? 9.596 -18.485 4.606 1.00 34.17 ? 329 GLN A N 1 ATOM 2615 C CA . GLN A 1 329 ? 9.281 -19.728 3.915 1.00 35.68 ? 329 GLN A CA 1 ATOM 2616 C C . GLN A 1 329 ? 7.838 -20.182 4.087 1.00 34.43 ? 329 GLN A C 1 ATOM 2617 O O . GLN A 1 329 ? 7.475 -21.281 3.667 1.00 34.63 ? 329 GLN A O 1 ATOM 2618 C CB . GLN A 1 329 ? 10.213 -20.840 4.389 1.00 38.10 ? 329 GLN A CB 1 ATOM 2619 C CG . GLN A 1 329 ? 11.668 -20.573 4.076 1.00 44.65 ? 329 GLN A CG 1 ATOM 2620 C CD . GLN A 1 329 ? 12.460 -21.851 3.916 1.00 48.22 ? 329 GLN A CD 1 ATOM 2621 O OE1 . GLN A 1 329 ? 13.074 -22.088 2.871 1.00 50.29 ? 329 GLN A OE1 1 ATOM 2622 N NE2 . GLN A 1 329 ? 12.449 -22.689 4.950 1.00 50.12 ? 329 GLN A NE2 1 ATOM 2623 N N . GLY A 1 330 ? 7.013 -19.338 4.695 1.00 32.36 ? 330 GLY A N 1 ATOM 2624 C CA . GLY A 1 330 ? 5.627 -19.704 4.903 1.00 30.01 ? 330 GLY A CA 1 ATOM 2625 C C . GLY A 1 330 ? 5.275 -19.897 6.366 1.00 28.48 ? 330 GLY A C 1 ATOM 2626 O O . GLY A 1 330 ? 6.151 -19.985 7.228 1.00 27.85 ? 330 GLY A O 1 ATOM 2627 N N . TYR A 1 331 ? 3.979 -19.971 6.637 1.00 26.95 ? 331 TYR A N 1 ATOM 2628 C CA . TYR A 1 331 ? 3.470 -20.141 7.989 1.00 27.30 ? 331 TYR A CA 1 ATOM 2629 C C . TYR A 1 331 ? 3.822 -21.495 8.597 1.00 28.21 ? 331 TYR A C 1 ATOM 2630 O O . TYR A 1 331 ? 3.611 -22.533 7.975 1.00 30.05 ? 331 TYR A O 1 ATOM 2631 C CB . TYR A 1 331 ? 1.953 -19.941 7.985 1.00 24.54 ? 331 TYR A CB 1 ATOM 2632 C CG . TYR A 1 331 ? 1.283 -20.245 9.300 1.00 24.57 ? 331 TYR A CG 1 ATOM 2633 C CD1 . TYR A 1 331 ? 1.689 -19.613 10.476 1.00 23.63 ? 331 TYR A CD1 1 ATOM 2634 C CD2 . TYR A 1 331 ? 0.227 -21.155 9.368 1.00 22.52 ? 331 TYR A CD2 1 ATOM 2635 C CE1 . TYR A 1 331 ? 1.057 -19.880 11.688 1.00 24.03 ? 331 TYR A CE1 1 ATOM 2636 C CE2 . TYR A 1 331 ? -0.412 -21.427 10.567 1.00 22.36 ? 331 TYR A CE2 1 ATOM 2637 C CZ . TYR A 1 331 ? 0.006 -20.787 11.724 1.00 23.43 ? 331 TYR A CZ 1 ATOM 2638 O OH . TYR A 1 331 ? -0.631 -21.043 12.912 1.00 22.29 ? 331 TYR A OH 1 ATOM 2639 N N . ASN A 1 332 ? 4.355 -21.469 9.819 1.00 29.02 ? 332 ASN A N 1 ATOM 2640 C CA . ASN A 1 332 ? 4.745 -22.678 10.539 1.00 30.23 ? 332 ASN A CA 1 ATOM 2641 C C . ASN A 1 332 ? 3.876 -22.816 11.814 1.00 29.79 ? 332 ASN A C 1 ATOM 2642 O O . ASN A 1 332 ? 4.103 -22.122 12.807 1.00 29.43 ? 332 ASN A O 1 ATOM 2643 C CB . ASN A 1 332 ? 6.245 -22.602 10.898 1.00 34.37 ? 332 ASN A CB 1 ATOM 2644 C CG . ASN A 1 332 ? 6.790 -23.934 11.358 1.00 39.25 ? 332 ASN A CG 1 ATOM 2645 O OD1 . ASN A 1 332 ? 6.029 -24.714 11.917 1.00 36.88 ? 332 ASN A OD1 1 ATOM 2646 N ND2 . ASN A 1 332 ? 8.077 -24.227 11.160 1.00 47.17 ? 332 ASN A ND2 1 ATOM 2647 N N . ASN A 1 333 ? 2.886 -23.710 11.792 1.00 27.46 ? 333 ASN A N 1 ATOM 2648 C CA . ASN A 1 333 ? 1.994 -23.870 12.945 1.00 26.75 ? 333 ASN A CA 1 ATOM 2649 C C . ASN A 1 333 ? 2.615 -24.463 14.206 1.00 25.68 ? 333 ASN A C 1 ATOM 2650 O O . ASN A 1 333 ? 1.966 -24.524 15.249 1.00 24.14 ? 333 ASN A O 1 ATOM 2651 C CB . ASN A 1 333 ? 0.731 -24.669 12.557 1.00 27.51 ? 333 ASN A CB 1 ATOM 2652 C CG . ASN A 1 333 ? 1.022 -26.115 12.179 1.00 28.97 ? 333 ASN A CG 1 ATOM 2653 O OD1 . ASN A 1 333 ? 0.460 -26.632 11.217 1.00 32.00 ? 333 ASN A OD1 1 ATOM 2654 N ND2 . ASN A 1 333 ? 1.878 -26.778 12.943 1.00 31.11 ? 333 ASN A ND2 1 ATOM 2655 N N . SER A 1 334 ? 3.872 -24.879 14.123 1.00 24.33 ? 334 SER A N 1 ATOM 2656 C CA . SER A 1 334 ? 4.534 -25.458 15.280 1.00 25.58 ? 334 SER A CA 1 ATOM 2657 C C . SER A 1 334 ? 5.426 -24.449 15.991 1.00 25.39 ? 334 SER A C 1 ATOM 2658 O O . SER A 1 334 ? 6.032 -24.760 17.018 1.00 25.35 ? 334 SER A O 1 ATOM 2659 C CB . SER A 1 334 ? 5.341 -26.686 14.857 1.00 27.21 ? 334 SER A CB 1 ATOM 2660 O OG . SER A 1 334 ? 4.478 -27.669 14.301 1.00 32.24 ? 334 SER A OG 1 ATOM 2661 N N . VAL A 1 335 ? 5.489 -23.237 15.447 1.00 24.17 ? 335 VAL A N 1 ATOM 2662 C CA . VAL A 1 335 ? 6.291 -22.162 16.020 1.00 24.87 ? 335 VAL A CA 1 ATOM 2663 C C . VAL A 1 335 ? 5.488 -21.404 17.087 1.00 24.27 ? 335 VAL A C 1 ATOM 2664 O O . VAL A 1 335 ? 4.325 -21.072 16.873 1.00 24.35 ? 335 VAL A O 1 ATOM 2665 C CB . VAL A 1 335 ? 6.758 -21.191 14.898 1.00 26.03 ? 335 VAL A CB 1 ATOM 2666 C CG1 . VAL A 1 335 ? 7.223 -19.870 15.485 1.00 27.47 ? 335 VAL A CG1 1 ATOM 2667 C CG2 . VAL A 1 335 ? 7.893 -21.836 14.099 1.00 26.20 ? 335 VAL A CG2 1 ATOM 2668 N N . ASP A 1 336 ? 6.116 -21.159 18.240 1.00 24.75 ? 336 ASP A N 1 ATOM 2669 C CA . ASP A 1 336 ? 5.504 -20.440 19.372 1.00 24.43 ? 336 ASP A CA 1 ATOM 2670 C C . ASP A 1 336 ? 5.561 -18.927 19.128 1.00 23.08 ? 336 ASP A C 1 ATOM 2671 O O . ASP A 1 336 ? 6.628 -18.312 19.193 1.00 22.91 ? 336 ASP A O 1 ATOM 2672 C CB . ASP A 1 336 ? 6.249 -20.796 20.669 1.00 24.75 ? 336 ASP A CB 1 ATOM 2673 C CG . ASP A 1 336 ? 5.636 -20.148 21.911 1.00 26.67 ? 336 ASP A CG 1 ATOM 2674 O OD1 . ASP A 1 336 ? 4.527 -19.584 21.825 1.00 26.06 ? 336 ASP A OD1 1 ATOM 2675 O OD2 . ASP A 1 336 ? 6.266 -20.211 22.989 1.00 27.11 ? 336 ASP A OD2 1 ATOM 2676 N N . PRO A 1 337 ? 4.403 -18.301 18.866 1.00 22.90 ? 337 PRO A N 1 ATOM 2677 C CA . PRO A 1 337 ? 4.357 -16.857 18.606 1.00 22.02 ? 337 PRO A CA 1 ATOM 2678 C C . PRO A 1 337 ? 4.353 -15.915 19.824 1.00 21.51 ? 337 PRO A C 1 ATOM 2679 O O . PRO A 1 337 ? 4.440 -14.693 19.669 1.00 21.57 ? 337 PRO A O 1 ATOM 2680 C CB . PRO A 1 337 ? 3.090 -16.721 17.772 1.00 21.69 ? 337 PRO A CB 1 ATOM 2681 C CG . PRO A 1 337 ? 2.166 -17.694 18.461 1.00 21.40 ? 337 PRO A CG 1 ATOM 2682 C CD . PRO A 1 337 ? 3.056 -18.901 18.763 1.00 20.97 ? 337 PRO A CD 1 ATOM 2683 N N . ARG A 1 338 ? 4.260 -16.472 21.027 1.00 19.00 ? 338 ARG A N 1 ATOM 2684 C CA . ARG A 1 338 ? 4.216 -15.656 22.239 1.00 17.63 ? 338 ARG A CA 1 ATOM 2685 C C . ARG A 1 338 ? 5.471 -14.830 22.495 1.00 15.66 ? 338 ARG A C 1 ATOM 2686 O O . ARG A 1 338 ? 6.592 -15.285 22.246 1.00 15.43 ? 338 ARG A O 1 ATOM 2687 C CB . ARG A 1 338 ? 3.949 -16.547 23.457 1.00 17.26 ? 338 ARG A CB 1 ATOM 2688 C CG . ARG A 1 338 ? 2.584 -17.220 23.456 1.00 18.87 ? 338 ARG A CG 1 ATOM 2689 C CD . ARG A 1 338 ? 2.480 -18.187 24.615 1.00 20.36 ? 338 ARG A CD 1 ATOM 2690 N NE . ARG A 1 338 ? 3.574 -19.154 24.566 1.00 24.62 ? 338 ARG A NE 1 ATOM 2691 C CZ . ARG A 1 338 ? 3.998 -19.868 25.602 1.00 25.14 ? 338 ARG A CZ 1 ATOM 2692 N NH1 . ARG A 1 338 ? 3.419 -19.730 26.785 1.00 28.55 ? 338 ARG A NH1 1 ATOM 2693 N NH2 . ARG A 1 338 ? 5.009 -20.714 25.458 1.00 26.59 ? 338 ARG A NH2 1 ATOM 2694 N N . ILE A 1 339 ? 5.281 -13.606 22.980 1.00 13.42 ? 339 ILE A N 1 ATOM 2695 C CA . ILE A 1 339 ? 6.420 -12.760 23.319 1.00 13.01 ? 339 ILE A CA 1 ATOM 2696 C C . ILE A 1 339 ? 7.001 -13.329 24.624 1.00 12.62 ? 339 ILE A C 1 ATOM 2697 O O . ILE A 1 339 ? 6.260 -13.667 25.548 1.00 12.02 ? 339 ILE A O 1 ATOM 2698 C CB . ILE A 1 339 ? 5.999 -11.280 23.530 1.00 10.80 ? 339 ILE A CB 1 ATOM 2699 C CG1 . ILE A 1 339 ? 5.457 -10.690 22.217 1.00 11.15 ? 339 ILE A CG1 1 ATOM 2700 C CG2 . ILE A 1 339 ? 7.180 -10.468 24.036 1.00 7.95 ? 339 ILE A CG2 1 ATOM 2701 C CD1 . ILE A 1 339 ? 6.433 -10.740 21.032 1.00 9.28 ? 339 ILE A CD1 1 ATOM 2702 N N . SER A 1 340 ? 8.322 -13.472 24.684 1.00 13.41 ? 340 SER A N 1 ATOM 2703 C CA . SER A 1 340 ? 8.973 -14.011 25.879 1.00 13.02 ? 340 SER A CA 1 ATOM 2704 C C . SER A 1 340 ? 9.189 -12.912 26.917 1.00 13.31 ? 340 SER A C 1 ATOM 2705 O O . SER A 1 340 ? 9.246 -11.726 26.576 1.00 13.71 ? 340 SER A O 1 ATOM 2706 C CB . SER A 1 340 ? 10.322 -14.631 25.516 1.00 11.02 ? 340 SER A CB 1 ATOM 2707 O OG . SER A 1 340 ? 11.202 -13.649 24.985 1.00 12.09 ? 340 SER A OG 1 ATOM 2708 N N . ASN A 1 341 ? 9.309 -13.309 28.183 1.00 13.70 ? 341 ASN A N 1 ATOM 2709 C CA . ASN A 1 341 ? 9.529 -12.351 29.257 1.00 14.59 ? 341 ASN A CA 1 ATOM 2710 C C . ASN A 1 341 ? 10.833 -11.579 29.000 1.00 13.09 ? 341 ASN A C 1 ATOM 2711 O O . ASN A 1 341 ? 10.831 -10.352 29.049 1.00 12.49 ? 341 ASN A O 1 ATOM 2712 C CB . ASN A 1 341 ? 9.588 -13.066 30.621 1.00 13.78 ? 341 ASN A CB 1 ATOM 2713 C CG . ASN A 1 341 ? 9.071 -12.198 31.775 1.00 17.56 ? 341 ASN A CG 1 ATOM 2714 O OD1 . ASN A 1 341 ? 9.471 -11.041 31.936 1.00 16.41 ? 341 ASN A OD1 1 ATOM 2715 N ND2 . ASN A 1 341 ? 8.183 -12.767 32.591 1.00 15.52 ? 341 ASN A ND2 1 ATOM 2716 N N . VAL A 1 342 ? 11.931 -12.276 28.691 1.00 11.16 ? 342 VAL A N 1 ATOM 2717 C CA . VAL A 1 342 ? 13.209 -11.582 28.463 1.00 12.34 ? 342 VAL A CA 1 ATOM 2718 C C . VAL A 1 342 ? 13.182 -10.561 27.309 1.00 12.53 ? 342 VAL A C 1 ATOM 2719 O O . VAL A 1 342 ? 13.914 -9.568 27.339 1.00 12.45 ? 342 VAL A O 1 ATOM 2720 C CB . VAL A 1 342 ? 14.398 -12.590 28.250 1.00 11.57 ? 342 VAL A CB 1 ATOM 2721 C CG1 . VAL A 1 342 ? 14.235 -13.350 26.944 1.00 10.37 ? 342 VAL A CG1 1 ATOM 2722 C CG2 . VAL A 1 342 ? 15.732 -11.837 28.265 1.00 11.50 ? 342 VAL A CG2 1 ATOM 2723 N N . PHE A 1 343 ? 12.334 -10.790 26.308 1.00 11.92 ? 343 PHE A N 1 ATOM 2724 C CA . PHE A 1 343 ? 12.221 -9.865 25.178 1.00 11.24 ? 343 PHE A CA 1 ATOM 2725 C C . PHE A 1 343 ? 11.783 -8.483 25.648 1.00 10.37 ? 343 PHE A C 1 ATOM 2726 O O . PHE A 1 343 ? 12.264 -7.474 25.136 1.00 11.73 ? 343 PHE A O 1 ATOM 2727 C CB . PHE A 1 343 ? 11.191 -10.367 24.165 1.00 11.33 ? 343 PHE A CB 1 ATOM 2728 C CG . PHE A 1 343 ? 11.010 -9.460 22.977 1.00 10.01 ? 343 PHE A CG 1 ATOM 2729 C CD1 . PHE A 1 343 ? 11.946 -9.447 21.949 1.00 10.04 ? 343 PHE A CD1 1 ATOM 2730 C CD2 . PHE A 1 343 ? 9.890 -8.635 22.875 1.00 9.89 ? 343 PHE A CD2 1 ATOM 2731 C CE1 . PHE A 1 343 ? 11.768 -8.630 20.827 1.00 11.41 ? 343 PHE A CE1 1 ATOM 2732 C CE2 . PHE A 1 343 ? 9.701 -7.813 21.759 1.00 9.83 ? 343 PHE A CE2 1 ATOM 2733 C CZ . PHE A 1 343 ? 10.643 -7.812 20.731 1.00 11.56 ? 343 PHE A CZ 1 ATOM 2734 N N . THR A 1 344 ? 10.860 -8.432 26.607 1.00 10.60 ? 344 THR A N 1 ATOM 2735 C CA . THR A 1 344 ? 10.385 -7.138 27.098 1.00 12.45 ? 344 THR A CA 1 ATOM 2736 C C . THR A 1 344 ? 11.505 -6.304 27.743 1.00 13.29 ? 344 THR A C 1 ATOM 2737 O O . THR A 1 344 ? 11.349 -5.099 27.957 1.00 14.56 ? 344 THR A O 1 ATOM 2738 C CB . THR A 1 344 ? 9.184 -7.284 28.082 1.00 12.00 ? 344 THR A CB 1 ATOM 2739 O OG1 . THR A 1 344 ? 9.623 -7.847 29.323 1.00 11.93 ? 344 THR A OG1 1 ATOM 2740 C CG2 . THR A 1 344 ? 8.108 -8.169 27.478 1.00 9.58 ? 344 THR A CG2 1 ATOM 2741 N N . PHE A 1 345 ? 12.634 -6.937 28.050 1.00 11.08 ? 345 PHE A N 1 ATOM 2742 C CA . PHE A 1 345 ? 13.761 -6.194 28.598 1.00 11.00 ? 345 PHE A CA 1 ATOM 2743 C C . PHE A 1 345 ? 14.798 -5.994 27.510 1.00 11.59 ? 345 PHE A C 1 ATOM 2744 O O . PHE A 1 345 ? 15.510 -4.993 27.501 1.00 13.47 ? 345 PHE A O 1 ATOM 2745 C CB . PHE A 1 345 ? 14.381 -6.911 29.799 1.00 11.33 ? 345 PHE A CB 1 ATOM 2746 C CG . PHE A 1 345 ? 13.465 -6.980 30.970 1.00 11.84 ? 345 PHE A CG 1 ATOM 2747 C CD1 . PHE A 1 345 ? 12.746 -8.143 31.236 1.00 10.58 ? 345 PHE A CD1 1 ATOM 2748 C CD2 . PHE A 1 345 ? 13.242 -5.853 31.758 1.00 10.41 ? 345 PHE A CD2 1 ATOM 2749 C CE1 . PHE A 1 345 ? 11.808 -8.190 32.272 1.00 10.77 ? 345 PHE A CE1 1 ATOM 2750 C CE2 . PHE A 1 345 ? 12.307 -5.887 32.797 1.00 13.16 ? 345 PHE A CE2 1 ATOM 2751 C CZ . PHE A 1 345 ? 11.587 -7.062 33.053 1.00 11.78 ? 345 PHE A CZ 1 ATOM 2752 N N . ALA A 1 346 ? 14.871 -6.932 26.575 1.00 10.71 ? 346 ALA A N 1 ATOM 2753 C CA . ALA A 1 346 ? 15.832 -6.798 25.500 1.00 9.88 ? 346 ALA A CA 1 ATOM 2754 C C . ALA A 1 346 ? 15.460 -5.612 24.609 1.00 12.02 ? 346 ALA A C 1 ATOM 2755 O O . ALA A 1 346 ? 16.337 -4.862 24.159 1.00 12.79 ? 346 ALA A O 1 ATOM 2756 C CB . ALA A 1 346 ? 15.880 -8.073 24.675 1.00 8.87 ? 346 ALA A CB 1 ATOM 2757 N N . PHE A 1 347 ? 14.160 -5.438 24.367 1.00 12.66 ? 347 PHE A N 1 ATOM 2758 C CA . PHE A 1 347 ? 13.682 -4.371 23.497 1.00 11.12 ? 347 PHE A CA 1 ATOM 2759 C C . PHE A 1 347 ? 13.799 -3.004 24.169 1.00 11.67 ? 347 PHE A C 1 ATOM 2760 O O . PHE A 1 347 ? 13.531 -1.975 23.544 1.00 12.74 ? 347 PHE A O 1 ATOM 2761 C CB . PHE A 1 347 ? 12.229 -4.650 23.072 1.00 13.02 ? 347 PHE A CB 1 ATOM 2762 C CG . PHE A 1 347 ? 11.865 -4.117 21.694 1.00 14.28 ? 347 PHE A CG 1 ATOM 2763 C CD1 . PHE A 1 347 ? 12.743 -3.316 20.968 1.00 16.23 ? 347 PHE A CD1 1 ATOM 2764 C CD2 . PHE A 1 347 ? 10.621 -4.399 21.139 1.00 15.88 ? 347 PHE A CD2 1 ATOM 2765 C CE1 . PHE A 1 347 ? 12.387 -2.803 19.713 1.00 14.87 ? 347 PHE A CE1 1 ATOM 2766 C CE2 . PHE A 1 347 ? 10.261 -3.891 19.887 1.00 14.26 ? 347 PHE A CE2 1 ATOM 2767 C CZ . PHE A 1 347 ? 11.150 -3.090 19.180 1.00 15.42 ? 347 PHE A CZ 1 ATOM 2768 N N . ARG A 1 348 ? 14.195 -2.986 25.438 1.00 11.45 ? 348 ARG A N 1 ATOM 2769 C CA . ARG A 1 348 ? 14.355 -1.714 26.136 1.00 11.62 ? 348 ARG A CA 1 ATOM 2770 C C . ARG A 1 348 ? 15.698 -1.058 25.804 1.00 11.80 ? 348 ARG A C 1 ATOM 2771 O O . ARG A 1 348 ? 16.123 -0.120 26.486 1.00 12.23 ? 348 ARG A O 1 ATOM 2772 C CB . ARG A 1 348 ? 14.210 -1.919 27.654 1.00 12.38 ? 348 ARG A CB 1 ATOM 2773 C CG . ARG A 1 348 ? 12.834 -2.435 28.076 1.00 14.18 ? 348 ARG A CG 1 ATOM 2774 C CD . ARG A 1 348 ? 12.585 -2.372 29.576 1.00 13.68 ? 348 ARG A CD 1 ATOM 2775 N NE . ARG A 1 348 ? 11.458 -3.200 29.977 1.00 11.40 ? 348 ARG A NE 1 ATOM 2776 C CZ . ARG A 1 348 ? 10.787 -2.990 31.104 1.00 12.78 ? 348 ARG A CZ 1 ATOM 2777 N NH1 . ARG A 1 348 ? 11.123 -1.990 31.911 1.00 11.53 ? 348 ARG A NH1 1 ATOM 2778 N NH2 . ARG A 1 348 ? 9.782 -3.792 31.428 1.00 11.59 ? 348 ARG A NH2 1 ATOM 2779 N N . PHE A 1 349 ? 16.362 -1.549 24.755 1.00 9.85 ? 349 PHE A N 1 ATOM 2780 C CA . PHE A 1 349 ? 17.630 -0.961 24.321 1.00 10.39 ? 349 PHE A CA 1 ATOM 2781 C C . PHE A 1 349 ? 17.337 0.448 23.796 1.00 11.05 ? 349 PHE A C 1 ATOM 2782 O O . PHE A 1 349 ? 18.222 1.313 23.764 1.00 9.03 ? 349 PHE A O 1 ATOM 2783 C CB . PHE A 1 349 ? 18.294 -1.814 23.219 1.00 10.33 ? 349 PHE A CB 1 ATOM 2784 C CG . PHE A 1 349 ? 17.571 -1.795 21.892 1.00 14.76 ? 349 PHE A CG 1 ATOM 2785 C CD1 . PHE A 1 349 ? 17.764 -0.750 20.986 1.00 14.53 ? 349 PHE A CD1 1 ATOM 2786 C CD2 . PHE A 1 349 ? 16.683 -2.815 21.552 1.00 14.78 ? 349 PHE A CD2 1 ATOM 2787 C CE1 . PHE A 1 349 ? 17.083 -0.723 19.769 1.00 14.96 ? 349 PHE A CE1 1 ATOM 2788 C CE2 . PHE A 1 349 ? 15.995 -2.793 20.333 1.00 15.91 ? 349 PHE A CE2 1 ATOM 2789 C CZ . PHE A 1 349 ? 16.196 -1.747 19.443 1.00 15.42 ? 349 PHE A CZ 1 ATOM 2790 N N . GLY A 1 350 ? 16.082 0.669 23.395 1.00 10.30 ? 350 GLY A N 1 ATOM 2791 C CA . GLY A 1 350 ? 15.674 1.966 22.881 1.00 10.90 ? 350 GLY A CA 1 ATOM 2792 C C . GLY A 1 350 ? 15.807 3.109 23.875 1.00 12.84 ? 350 GLY A C 1 ATOM 2793 O O . GLY A 1 350 ? 15.926 4.265 23.474 1.00 15.34 ? 350 GLY A O 1 ATOM 2794 N N . HIS A 1 351 ? 15.788 2.806 25.169 1.00 13.19 ? 351 HIS A N 1 ATOM 2795 C CA . HIS A 1 351 ? 15.920 3.843 26.189 1.00 13.95 ? 351 HIS A CA 1 ATOM 2796 C C . HIS A 1 351 ? 17.241 4.601 26.072 1.00 14.78 ? 351 HIS A C 1 ATOM 2797 O O . HIS A 1 351 ? 17.337 5.767 26.461 1.00 14.95 ? 351 HIS A O 1 ATOM 2798 C CB . HIS A 1 351 ? 15.777 3.222 27.579 1.00 10.93 ? 351 HIS A CB 1 ATOM 2799 C CG . HIS A 1 351 ? 14.392 2.736 27.869 1.00 12.65 ? 351 HIS A CG 1 ATOM 2800 N ND1 . HIS A 1 351 ? 14.096 1.908 28.929 1.00 12.01 ? 351 HIS A ND1 1 ATOM 2801 C CD2 . HIS A 1 351 ? 13.219 2.960 27.227 1.00 11.85 ? 351 HIS A CD2 1 ATOM 2802 C CE1 . HIS A 1 351 ? 12.802 1.639 28.927 1.00 13.04 ? 351 HIS A CE1 1 ATOM 2803 N NE2 . HIS A 1 351 ? 12.247 2.265 27.905 1.00 11.67 ? 351 HIS A NE2 1 ATOM 2804 N N . MET A 1 352 ? 18.249 3.943 25.506 1.00 15.11 ? 352 MET A N 1 ATOM 2805 C CA . MET A 1 352 ? 19.556 4.559 25.346 1.00 16.14 ? 352 MET A CA 1 ATOM 2806 C C . MET A 1 352 ? 19.687 5.305 24.023 1.00 17.04 ? 352 MET A C 1 ATOM 2807 O O . MET A 1 352 ? 20.761 5.828 23.703 1.00 15.12 ? 352 MET A O 1 ATOM 2808 C CB . MET A 1 352 ? 20.644 3.489 25.460 1.00 18.23 ? 352 MET A CB 1 ATOM 2809 C CG . MET A 1 352 ? 20.504 2.642 26.727 1.00 21.49 ? 352 MET A CG 1 ATOM 2810 S SD . MET A 1 352 ? 22.052 1.915 27.229 1.00 27.99 ? 352 MET A SD 1 ATOM 2811 C CE . MET A 1 352 ? 21.573 1.097 28.801 1.00 23.41 ? 352 MET A CE 1 ATOM 2812 N N . GLU A 1 353 ? 18.585 5.358 23.271 1.00 14.73 ? 353 GLU A N 1 ATOM 2813 C CA . GLU A 1 353 ? 18.547 6.025 21.971 1.00 15.95 ? 353 GLU A CA 1 ATOM 2814 C C . GLU A 1 353 ? 17.752 7.321 22.016 1.00 14.53 ? 353 GLU A C 1 ATOM 2815 O O . GLU A 1 353 ? 17.650 8.024 21.007 1.00 15.79 ? 353 GLU A O 1 ATOM 2816 C CB . GLU A 1 353 ? 17.930 5.104 20.910 1.00 15.35 ? 353 GLU A CB 1 ATOM 2817 C CG . GLU A 1 353 ? 18.832 3.973 20.468 1.00 14.50 ? 353 GLU A CG 1 ATOM 2818 C CD . GLU A 1 353 ? 18.134 2.992 19.548 1.00 16.33 ? 353 GLU A CD 1 ATOM 2819 O OE1 . GLU A 1 353 ? 16.938 3.191 19.235 1.00 16.94 ? 353 GLU A OE1 1 ATOM 2820 O OE2 . GLU A 1 353 ? 18.789 2.016 19.134 1.00 14.46 ? 353 GLU A OE2 1 ATOM 2821 N N . VAL A 1 354 ? 17.195 7.623 23.185 1.00 12.86 ? 354 VAL A N 1 ATOM 2822 C CA . VAL A 1 354 ? 16.398 8.823 23.373 1.00 11.87 ? 354 VAL A CA 1 ATOM 2823 C C . VAL A 1 354 ? 17.293 10.007 23.725 1.00 13.65 ? 354 VAL A C 1 ATOM 2824 O O . VAL A 1 354 ? 18.061 9.955 24.688 1.00 12.90 ? 354 VAL A O 1 ATOM 2825 C CB . VAL A 1 354 ? 15.342 8.625 24.496 1.00 12.52 ? 354 VAL A CB 1 ATOM 2826 C CG1 . VAL A 1 354 ? 14.427 9.844 24.588 1.00 8.13 ? 354 VAL A CG1 1 ATOM 2827 C CG2 . VAL A 1 354 ? 14.525 7.365 24.221 1.00 8.83 ? 354 VAL A CG2 1 ATOM 2828 N N . PRO A 1 355 ? 17.225 11.081 22.919 1.00 13.54 ? 355 PRO A N 1 ATOM 2829 C CA . PRO A 1 355 ? 18.025 12.287 23.143 1.00 13.95 ? 355 PRO A CA 1 ATOM 2830 C C . PRO A 1 355 ? 17.349 13.171 24.198 1.00 14.23 ? 355 PRO A C 1 ATOM 2831 O O . PRO A 1 355 ? 16.209 12.913 24.599 1.00 13.62 ? 355 PRO A O 1 ATOM 2832 C CB . PRO A 1 355 ? 18.088 12.924 21.755 1.00 13.12 ? 355 PRO A CB 1 ATOM 2833 C CG . PRO A 1 355 ? 16.772 12.593 21.181 1.00 14.37 ? 355 PRO A CG 1 ATOM 2834 C CD . PRO A 1 355 ? 16.474 11.172 21.654 1.00 13.61 ? 355 PRO A CD 1 ATOM 2835 N N . SER A 1 356 ? 18.046 14.213 24.637 1.00 12.27 ? 356 SER A N 1 ATOM 2836 C CA . SER A 1 356 ? 17.535 15.088 25.688 1.00 13.46 ? 356 SER A CA 1 ATOM 2837 C C . SER A 1 356 ? 16.534 16.168 25.275 1.00 12.78 ? 356 SER A C 1 ATOM 2838 O O . SER A 1 356 ? 15.843 16.710 26.132 1.00 14.18 ? 356 SER A O 1 ATOM 2839 C CB . SER A 1 356 ? 18.708 15.750 26.407 1.00 10.98 ? 356 SER A CB 1 ATOM 2840 O OG . SER A 1 356 ? 19.355 16.652 25.531 1.00 12.40 ? 356 SER A OG 1 ATOM 2841 N N . THR A 1 357 ? 16.451 16.490 23.988 1.00 12.79 ? 357 THR A N 1 ATOM 2842 C CA . THR A 1 357 ? 15.514 17.523 23.545 1.00 15.04 ? 357 THR A CA 1 ATOM 2843 C C . THR A 1 357 ? 14.635 17.090 22.374 1.00 16.30 ? 357 THR A C 1 ATOM 2844 O O . THR A 1 357 ? 14.933 16.118 21.678 1.00 17.25 ? 357 THR A O 1 ATOM 2845 C CB . THR A 1 357 ? 16.250 18.825 23.112 1.00 14.30 ? 357 THR A CB 1 ATOM 2846 O OG1 . THR A 1 357 ? 17.047 18.564 21.952 1.00 15.20 ? 357 THR A OG1 1 ATOM 2847 C CG2 . THR A 1 357 ? 17.153 19.327 24.216 1.00 13.56 ? 357 THR A CG2 1 ATOM 2848 N N . VAL A 1 358 ? 13.541 17.823 22.180 1.00 17.98 ? 358 VAL A N 1 ATOM 2849 C CA . VAL A 1 358 ? 12.614 17.594 21.080 1.00 18.46 ? 358 VAL A CA 1 ATOM 2850 C C . VAL A 1 358 ? 12.393 18.955 20.408 1.00 21.09 ? 358 VAL A C 1 ATOM 2851 O O . VAL A 1 358 ? 12.233 19.972 21.092 1.00 20.27 ? 358 VAL A O 1 ATOM 2852 C CB . VAL A 1 358 ? 11.258 17.048 21.574 1.00 18.91 ? 358 VAL A CB 1 ATOM 2853 C CG1 . VAL A 1 358 ? 10.248 17.077 20.440 1.00 15.78 ? 358 VAL A CG1 1 ATOM 2854 C CG2 . VAL A 1 358 ? 11.422 15.618 22.089 1.00 18.86 ? 358 VAL A CG2 1 ATOM 2855 N N . SER A 1 359 ? 12.376 18.974 19.077 1.00 21.78 ? 359 SER A N 1 ATOM 2856 C CA . SER A 1 359 ? 12.200 20.221 18.339 1.00 24.32 ? 359 SER A CA 1 ATOM 2857 C C . SER A 1 359 ? 10.945 20.294 17.491 1.00 24.18 ? 359 SER A C 1 ATOM 2858 O O . SER A 1 359 ? 10.429 19.279 17.017 1.00 26.64 ? 359 SER A O 1 ATOM 2859 C CB . SER A 1 359 ? 13.394 20.467 17.407 1.00 23.48 ? 359 SER A CB 1 ATOM 2860 O OG . SER A 1 359 ? 14.605 20.626 18.122 1.00 26.93 ? 359 SER A OG 1 ATOM 2861 N N . ARG A 1 360 ? 10.464 21.519 17.316 1.00 23.42 ? 360 ARG A N 1 ATOM 2862 C CA . ARG A 1 360 ? 9.326 21.802 16.461 1.00 25.72 ? 360 ARG A CA 1 ATOM 2863 C C . ARG A 1 360 ? 9.957 22.619 15.333 1.00 26.46 ? 360 ARG A C 1 ATOM 2864 O O . ARG A 1 360 ? 10.587 23.648 15.584 1.00 27.11 ? 360 ARG A O 1 ATOM 2865 C CB . ARG A 1 360 ? 8.266 22.642 17.187 1.00 26.81 ? 360 ARG A CB 1 ATOM 2866 C CG . ARG A 1 360 ? 7.360 21.857 18.125 1.00 26.61 ? 360 ARG A CG 1 ATOM 2867 C CD . ARG A 1 360 ? 7.850 21.882 19.561 1.00 27.59 ? 360 ARG A CD 1 ATOM 2868 N NE . ARG A 1 360 ? 7.229 22.952 20.348 1.00 30.69 ? 360 ARG A NE 1 ATOM 2869 C CZ . ARG A 1 360 ? 7.743 24.163 20.506 1.00 28.77 ? 360 ARG A CZ 1 ATOM 2870 N NH1 . ARG A 1 360 ? 8.891 24.471 19.931 1.00 34.27 ? 360 ARG A NH1 1 ATOM 2871 N NH2 . ARG A 1 360 ? 7.117 25.063 21.246 1.00 32.11 ? 360 ARG A NH2 1 ATOM 2872 N N . LEU A 1 361 ? 9.821 22.154 14.099 1.00 27.42 ? 361 LEU A N 1 ATOM 2873 C CA . LEU A 1 361 ? 10.398 22.861 12.960 1.00 28.24 ? 361 LEU A CA 1 ATOM 2874 C C . LEU A 1 361 ? 9.279 23.469 12.109 1.00 29.04 ? 361 LEU A C 1 ATOM 2875 O O . LEU A 1 361 ? 8.190 22.894 12.013 1.00 26.80 ? 361 LEU A O 1 ATOM 2876 C CB . LEU A 1 361 ? 11.252 21.891 12.124 1.00 28.42 ? 361 LEU A CB 1 ATOM 2877 C CG . LEU A 1 361 ? 12.523 21.322 12.787 1.00 30.20 ? 361 LEU A CG 1 ATOM 2878 C CD1 . LEU A 1 361 ? 13.152 20.240 11.926 1.00 26.91 ? 361 LEU A CD1 1 ATOM 2879 C CD2 . LEU A 1 361 ? 13.532 22.438 13.054 1.00 30.02 ? 361 LEU A CD2 1 ATOM 2880 N N . ASP A 1 362 ? 9.529 24.635 11.510 1.00 31.02 ? 362 ASP A N 1 ATOM 2881 C CA . ASP A 1 362 ? 8.538 25.282 10.671 1.00 33.49 ? 362 ASP A CA 1 ATOM 2882 C C . ASP A 1 362 ? 8.712 24.821 9.218 1.00 33.95 ? 362 ASP A C 1 ATOM 2883 O O . ASP A 1 362 ? 9.590 24.020 8.936 1.00 32.74 ? 362 ASP A O 1 ATOM 2884 C CB . ASP A 1 362 ? 8.641 26.801 10.762 1.00 35.01 ? 362 ASP A CB 1 ATOM 2885 C CG . ASP A 1 362 ? 9.771 27.385 9.938 1.00 36.24 ? 362 ASP A CG 1 ATOM 2886 O OD1 . ASP A 1 362 ? 10.406 26.625 9.173 1.00 37.12 ? 362 ASP A OD1 1 ATOM 2887 O OD2 . ASP A 1 362 ? 10.030 28.610 10.069 1.00 39.45 ? 362 ASP A OD2 1 ATOM 2888 N N . GLU A 1 363 ? 7.866 25.303 8.330 1.00 34.32 ? 363 GLU A N 1 ATOM 2889 C CA . GLU A 1 363 ? 7.809 24.813 6.933 1.00 35.28 ? 363 GLU A CA 1 ATOM 2890 C C . GLU A 1 363 ? 9.140 24.736 6.131 1.00 35.36 ? 363 GLU A C 1 ATOM 2891 O O . GLU A 1 363 ? 9.230 23.924 5.210 1.00 35.40 ? 363 GLU A O 1 ATOM 2892 C CB . GLU A 1 363 ? 6.805 25.654 6.153 1.00 37.16 ? 363 GLU A CB 1 ATOM 2893 C CG . GLU A 1 363 ? 5.431 25.639 6.798 1.00 38.84 ? 363 GLU A CG 1 ATOM 2894 C CD . GLU A 1 363 ? 4.320 25.835 5.807 1.00 39.64 ? 363 GLU A CD 1 ATOM 2895 O OE1 . GLU A 1 363 ? 4.438 25.327 4.672 1.00 40.85 ? 363 GLU A OE1 1 ATOM 2896 O OE2 . GLU A 1 363 ? 3.328 26.503 6.166 1.00 40.28 ? 363 GLU A OE2 1 ATOM 2897 N N . ASN A 1 364 ? 10.139 25.551 6.442 1.00 35.81 ? 364 ASN A N 1 ATOM 2898 C CA . ASN A 1 364 ? 11.411 25.429 5.731 1.00 37.62 ? 364 ASN A CA 1 ATOM 2899 C C . ASN A 1 364 ? 12.346 24.644 6.654 1.00 37.57 ? 364 ASN A C 1 ATOM 2900 O O . ASN A 1 364 ? 13.573 24.730 6.544 1.00 38.88 ? 364 ASN A O 1 ATOM 2901 C CB . ASN A 1 364 ? 12.026 26.798 5.435 1.00 39.00 ? 364 ASN A CB 1 ATOM 2902 C CG . ASN A 1 364 ? 11.141 27.671 4.566 1.00 40.46 ? 364 ASN A CG 1 ATOM 2903 O OD1 . ASN A 1 364 ? 11.188 28.897 4.672 1.00 42.11 ? 364 ASN A OD1 1 ATOM 2904 N ND2 . ASN A 1 364 ? 10.345 27.055 3.693 1.00 41.50 ? 364 ASN A ND2 1 ATOM 2905 N N . TYR A 1 365 ? 11.741 23.883 7.566 1.00 36.23 ? 365 TYR A N 1 ATOM 2906 C CA . TYR A 1 365 ? 12.471 23.069 8.536 1.00 36.50 ? 365 TYR A CA 1 ATOM 2907 C C . TYR A 1 365 ? 13.378 23.902 9.431 1.00 36.93 ? 365 TYR A C 1 ATOM 2908 O O . TYR A 1 365 ? 14.433 23.462 9.881 1.00 37.58 ? 365 TYR A O 1 ATOM 2909 C CB . TYR A 1 365 ? 13.277 21.989 7.822 1.00 34.16 ? 365 TYR A CB 1 ATOM 2910 C CG . TYR A 1 365 ? 12.418 20.817 7.409 1.00 33.49 ? 365 TYR A CG 1 ATOM 2911 C CD1 . TYR A 1 365 ? 12.412 19.628 8.148 1.00 32.56 ? 365 TYR A CD1 1 ATOM 2912 C CD2 . TYR A 1 365 ? 11.566 20.912 6.310 1.00 32.27 ? 365 TYR A CD2 1 ATOM 2913 C CE1 . TYR A 1 365 ? 11.573 18.563 7.795 1.00 32.79 ? 365 TYR A CE1 1 ATOM 2914 C CE2 . TYR A 1 365 ? 10.726 19.858 5.953 1.00 31.85 ? 365 TYR A CE2 1 ATOM 2915 C CZ . TYR A 1 365 ? 10.733 18.691 6.696 1.00 31.70 ? 365 TYR A CZ 1 ATOM 2916 O OH . TYR A 1 365 ? 9.896 17.662 6.341 1.00 31.33 ? 365 TYR A OH 1 ATOM 2917 N N . GLN A 1 366 ? 12.941 25.125 9.686 1.00 38.66 ? 366 GLN A N 1 ATOM 2918 C CA . GLN A 1 366 ? 13.686 26.019 10.544 1.00 40.53 ? 366 GLN A CA 1 ATOM 2919 C C . GLN A 1 366 ? 12.985 26.057 11.909 1.00 41.17 ? 366 GLN A C 1 ATOM 2920 O O . GLN A 1 366 ? 11.791 25.778 12.003 1.00 41.41 ? 366 GLN A O 1 ATOM 2921 C CB . GLN A 1 366 ? 13.723 27.431 9.932 1.00 40.92 ? 366 GLN A CB 1 ATOM 2922 C CG . GLN A 1 366 ? 14.243 27.538 8.528 1.00 43.93 ? 366 GLN A CG 1 ATOM 2923 C CD . GLN A 1 366 ? 15.633 26.989 8.378 1.00 44.87 ? 366 GLN A CD 1 ATOM 2924 O OE1 . GLN A 1 366 ? 16.539 27.234 9.209 1.00 45.06 ? 366 GLN A OE1 1 ATOM 2925 N NE2 . GLN A 1 366 ? 15.827 26.244 7.284 1.00 46.16 ? 366 GLN A NE2 1 ATOM 2926 N N . PRO A 1 367 ? 13.747 26.318 12.981 1.00 41.50 ? 367 PRO A N 1 ATOM 2927 C CA . PRO A 1 367 ? 13.269 26.426 14.360 1.00 42.18 ? 367 PRO A CA 1 ATOM 2928 C C . PRO A 1 367 ? 11.914 27.190 14.403 1.00 42.30 ? 367 PRO A C 1 ATOM 2929 O O . PRO A 1 367 ? 11.784 28.349 13.953 1.00 44.15 ? 367 PRO A O 1 ATOM 2930 C CB . PRO A 1 367 ? 14.393 27.205 15.000 1.00 42.61 ? 367 PRO A CB 1 ATOM 2931 C CG . PRO A 1 367 ? 15.654 26.461 14.384 1.00 41.89 ? 367 PRO A CG 1 ATOM 2932 C CD . PRO A 1 367 ? 15.230 26.249 12.929 1.00 41.52 ? 367 PRO A CD 1 ATOM 2933 N N . TRP A 1 368 ? 10.926 26.521 14.981 1.00 43.05 ? 368 TRP A N 1 ATOM 2934 C CA . TRP A 1 368 ? 9.583 27.046 15.095 1.00 42.85 ? 368 TRP A CA 1 ATOM 2935 C C . TRP A 1 368 ? 9.334 27.905 16.335 1.00 42.17 ? 368 TRP A C 1 ATOM 2936 O O . TRP A 1 368 ? 8.912 27.412 17.384 1.00 40.56 ? 368 TRP A O 1 ATOM 2937 C CB . TRP A 1 368 ? 8.598 25.880 15.064 1.00 44.18 ? 368 TRP A CB 1 ATOM 2938 C CG . TRP A 1 368 ? 7.179 26.269 14.784 1.00 46.03 ? 368 TRP A CG 1 ATOM 2939 C CD1 . TRP A 1 368 ? 6.634 26.617 13.574 1.00 46.75 ? 368 TRP A CD1 1 ATOM 2940 C CD2 . TRP A 1 368 ? 6.113 26.302 15.729 1.00 45.37 ? 368 TRP A CD2 1 ATOM 2941 N NE1 . TRP A 1 368 ? 5.286 26.857 13.717 1.00 47.26 ? 368 TRP A NE1 1 ATOM 2942 C CE2 . TRP A 1 368 ? 4.942 26.672 15.031 1.00 46.62 ? 368 TRP A CE2 1 ATOM 2943 C CE3 . TRP A 1 368 ? 6.033 26.054 17.103 1.00 45.55 ? 368 TRP A CE3 1 ATOM 2944 C CZ2 . TRP A 1 368 ? 3.702 26.797 15.665 1.00 46.96 ? 368 TRP A CZ2 1 ATOM 2945 C CZ3 . TRP A 1 368 ? 4.804 26.177 17.733 1.00 46.75 ? 368 TRP A CZ3 1 ATOM 2946 C CH2 . TRP A 1 368 ? 3.653 26.547 17.013 1.00 47.46 ? 368 TRP A CH2 1 ATOM 2947 N N . GLY A 1 369 ? 9.581 29.201 16.198 1.00 42.23 ? 369 GLY A N 1 ATOM 2948 C CA . GLY A 1 369 ? 9.346 30.118 17.296 1.00 42.42 ? 369 GLY A CA 1 ATOM 2949 C C . GLY A 1 369 ? 10.495 30.310 18.267 1.00 42.51 ? 369 GLY A C 1 ATOM 2950 O O . GLY A 1 369 ? 11.614 29.848 18.025 1.00 43.33 ? 369 GLY A O 1 ATOM 2951 N N . PRO A 1 370 ? 10.237 30.988 19.399 1.00 42.17 ? 370 PRO A N 1 ATOM 2952 C CA . PRO A 1 370 ? 11.239 31.262 20.433 1.00 41.09 ? 370 PRO A CA 1 ATOM 2953 C C . PRO A 1 370 ? 11.605 30.046 21.287 1.00 39.83 ? 370 PRO A C 1 ATOM 2954 O O . PRO A 1 370 ? 12.752 29.885 21.703 1.00 40.07 ? 370 PRO A O 1 ATOM 2955 C CB . PRO A 1 370 ? 10.575 32.364 21.254 1.00 41.47 ? 370 PRO A CB 1 ATOM 2956 C CG . PRO A 1 370 ? 9.138 31.948 21.235 1.00 41.11 ? 370 PRO A CG 1 ATOM 2957 C CD . PRO A 1 370 ? 8.922 31.541 19.785 1.00 41.47 ? 370 PRO A CD 1 ATOM 2958 N N . GLU A 1 371 ? 10.626 29.189 21.543 1.00 37.99 ? 371 GLU A N 1 ATOM 2959 C CA . GLU A 1 371 ? 10.851 28.016 22.370 1.00 35.60 ? 371 GLU A CA 1 ATOM 2960 C C . GLU A 1 371 ? 10.685 26.751 21.523 1.00 32.49 ? 371 GLU A C 1 ATOM 2961 O O . GLU A 1 371 ? 9.946 25.834 21.873 1.00 31.92 ? 371 GLU A O 1 ATOM 2962 C CB . GLU A 1 371 ? 9.876 28.077 23.557 1.00 37.42 ? 371 GLU A CB 1 ATOM 2963 C CG . GLU A 1 371 ? 9.820 29.505 24.151 1.00 41.02 ? 371 GLU A CG 1 ATOM 2964 C CD . GLU A 1 371 ? 8.913 29.662 25.367 1.00 44.37 ? 371 GLU A CD 1 ATOM 2965 O OE1 . GLU A 1 371 ? 7.857 28.984 25.423 1.00 44.28 ? 371 GLU A OE1 1 ATOM 2966 O OE2 . GLU A 1 371 ? 9.255 30.488 26.255 1.00 44.09 ? 371 GLU A OE2 1 ATOM 2967 N N . ALA A 1 372 ? 11.406 26.723 20.404 1.00 29.09 ? 372 ALA A N 1 ATOM 2968 C CA . ALA A 1 372 ? 11.368 25.615 19.451 1.00 27.59 ? 372 ALA A CA 1 ATOM 2969 C C . ALA A 1 372 ? 11.903 24.305 20.001 1.00 27.23 ? 372 ALA A C 1 ATOM 2970 O O . ALA A 1 372 ? 11.343 23.238 19.749 1.00 24.68 ? 372 ALA A O 1 ATOM 2971 C CB . ALA A 1 372 ? 12.150 25.984 18.209 1.00 27.38 ? 372 ALA A CB 1 ATOM 2972 N N . GLU A 1 373 ? 12.995 24.395 20.752 1.00 26.91 ? 373 GLU A N 1 ATOM 2973 C CA . GLU A 1 373 ? 13.635 23.219 21.310 1.00 26.99 ? 373 GLU A CA 1 ATOM 2974 C C . GLU A 1 373 ? 13.298 23.066 22.786 1.00 24.75 ? 373 GLU A C 1 ATOM 2975 O O . GLU A 1 373 ? 13.636 23.919 23.601 1.00 26.21 ? 373 GLU A O 1 ATOM 2976 C CB . GLU A 1 373 ? 15.132 23.342 21.110 1.00 29.20 ? 373 GLU A CB 1 ATOM 2977 C CG . GLU A 1 373 ? 15.889 22.067 21.288 1.00 32.08 ? 373 GLU A CG 1 ATOM 2978 C CD . GLU A 1 373 ? 17.332 22.266 20.932 1.00 34.36 ? 373 GLU A CD 1 ATOM 2979 O OE1 . GLU A 1 373 ? 18.177 22.272 21.851 1.00 34.73 ? 373 GLU A OE1 1 ATOM 2980 O OE2 . GLU A 1 373 ? 17.611 22.442 19.725 1.00 35.96 ? 373 GLU A OE2 1 ATOM 2981 N N . LEU A 1 374 ? 12.648 21.962 23.125 1.00 20.65 ? 374 LEU A N 1 ATOM 2982 C CA . LEU A 1 374 ? 12.215 21.719 24.495 1.00 18.71 ? 374 LEU A CA 1 ATOM 2983 C C . LEU A 1 374 ? 12.897 20.545 25.181 1.00 17.79 ? 374 LEU A C 1 ATOM 2984 O O . LEU A 1 374 ? 13.243 19.556 24.533 1.00 16.81 ? 374 LEU A O 1 ATOM 2985 C CB . LEU A 1 374 ? 10.706 21.467 24.500 1.00 17.95 ? 374 LEU A CB 1 ATOM 2986 C CG . LEU A 1 374 ? 9.843 22.536 23.830 1.00 17.92 ? 374 LEU A CG 1 ATOM 2987 C CD1 . LEU A 1 374 ? 8.434 22.007 23.590 1.00 16.81 ? 374 LEU A CD1 1 ATOM 2988 C CD2 . LEU A 1 374 ? 9.819 23.771 24.711 1.00 17.59 ? 374 LEU A CD2 1 ATOM 2989 N N . PRO A 1 375 ? 13.109 20.644 26.510 1.00 17.17 ? 375 PRO A N 1 ATOM 2990 C CA . PRO A 1 375 ? 13.749 19.503 27.166 1.00 17.05 ? 375 PRO A CA 1 ATOM 2991 C C . PRO A 1 375 ? 12.714 18.374 27.183 1.00 16.93 ? 375 PRO A C 1 ATOM 2992 O O . PRO A 1 375 ? 11.515 18.612 27.365 1.00 15.27 ? 375 PRO A O 1 ATOM 2993 C CB . PRO A 1 375 ? 14.053 20.023 28.572 1.00 14.26 ? 375 PRO A CB 1 ATOM 2994 C CG . PRO A 1 375 ? 14.098 21.520 28.400 1.00 14.01 ? 375 PRO A CG 1 ATOM 2995 C CD . PRO A 1 375 ? 12.962 21.767 27.450 1.00 14.60 ? 375 PRO A CD 1 ATOM 2996 N N . LEU A 1 376 ? 13.191 17.154 26.984 1.00 17.31 ? 376 LEU A N 1 ATOM 2997 C CA . LEU A 1 376 ? 12.342 15.968 26.954 1.00 19.00 ? 376 LEU A CA 1 ATOM 2998 C C . LEU A 1 376 ? 11.436 15.829 28.180 1.00 18.52 ? 376 LEU A C 1 ATOM 2999 O O . LEU A 1 376 ? 10.258 15.483 28.049 1.00 18.93 ? 376 LEU A O 1 ATOM 3000 C CB . LEU A 1 376 ? 13.233 14.722 26.836 1.00 19.04 ? 376 LEU A CB 1 ATOM 3001 C CG . LEU A 1 376 ? 12.761 13.343 26.345 1.00 21.59 ? 376 LEU A CG 1 ATOM 3002 C CD1 . LEU A 1 376 ? 13.221 12.294 27.354 1.00 18.72 ? 376 LEU A CD1 1 ATOM 3003 C CD2 . LEU A 1 376 ? 11.259 13.288 26.143 1.00 17.61 ? 376 LEU A CD2 1 ATOM 3004 N N . HIS A 1 377 ? 11.971 16.104 29.368 1.00 16.93 ? 377 HIS A N 1 ATOM 3005 C CA . HIS A 1 377 ? 11.177 15.934 30.585 1.00 17.47 ? 377 HIS A CA 1 ATOM 3006 C C . HIS A 1 377 ? 9.944 16.821 30.716 1.00 17.81 ? 377 HIS A C 1 ATOM 3007 O O . HIS A 1 377 ? 9.088 16.552 31.558 1.00 19.09 ? 377 HIS A O 1 ATOM 3008 C CB . HIS A 1 377 ? 12.049 16.062 31.848 1.00 15.77 ? 377 HIS A CB 1 ATOM 3009 C CG . HIS A 1 377 ? 12.258 17.468 32.318 1.00 15.60 ? 377 HIS A CG 1 ATOM 3010 N ND1 . HIS A 1 377 ? 13.318 18.247 31.902 1.00 16.97 ? 377 HIS A ND1 1 ATOM 3011 C CD2 . HIS A 1 377 ? 11.562 18.223 33.200 1.00 15.47 ? 377 HIS A CD2 1 ATOM 3012 C CE1 . HIS A 1 377 ? 13.268 19.418 32.511 1.00 15.33 ? 377 HIS A CE1 1 ATOM 3013 N NE2 . HIS A 1 377 ? 12.211 19.430 33.304 1.00 15.35 ? 377 HIS A NE2 1 ATOM 3014 N N . THR A 1 378 ? 9.838 17.866 29.898 1.00 15.65 ? 378 THR A N 1 ATOM 3015 C CA . THR A 1 378 ? 8.659 18.728 29.957 1.00 16.63 ? 378 THR A CA 1 ATOM 3016 C C . THR A 1 378 ? 7.571 18.138 29.072 1.00 17.08 ? 378 THR A C 1 ATOM 3017 O O . THR A 1 378 ? 6.430 18.598 29.092 1.00 18.06 ? 378 THR A O 1 ATOM 3018 C CB . THR A 1 378 ? 8.926 20.160 29.415 1.00 14.80 ? 378 THR A CB 1 ATOM 3019 O OG1 . THR A 1 378 ? 9.280 20.085 28.030 1.00 18.17 ? 378 THR A OG1 1 ATOM 3020 C CG2 . THR A 1 378 ? 10.037 20.845 30.185 1.00 14.26 ? 378 THR A CG2 1 ATOM 3021 N N . LEU A 1 379 ? 7.925 17.116 28.299 1.00 17.20 ? 379 LEU A N 1 ATOM 3022 C CA . LEU A 1 379 ? 6.983 16.523 27.365 1.00 17.49 ? 379 LEU A CA 1 ATOM 3023 C C . LEU A 1 379 ? 6.379 15.158 27.703 1.00 16.99 ? 379 LEU A C 1 ATOM 3024 O O . LEU A 1 379 ? 5.732 14.553 26.852 1.00 17.40 ? 379 LEU A O 1 ATOM 3025 C CB . LEU A 1 379 ? 7.626 16.490 25.978 1.00 18.47 ? 379 LEU A CB 1 ATOM 3026 C CG . LEU A 1 379 ? 8.075 17.876 25.505 1.00 19.86 ? 379 LEU A CG 1 ATOM 3027 C CD1 . LEU A 1 379 ? 9.136 17.723 24.432 1.00 20.53 ? 379 LEU A CD1 1 ATOM 3028 C CD2 . LEU A 1 379 ? 6.875 18.665 24.993 1.00 20.68 ? 379 LEU A CD2 1 ATOM 3029 N N . PHE A 1 380 ? 6.588 14.661 28.920 1.00 16.25 ? 380 PHE A N 1 ATOM 3030 C CA . PHE A 1 380 ? 5.976 13.393 29.314 1.00 15.88 ? 380 PHE A CA 1 ATOM 3031 C C . PHE A 1 380 ? 4.515 13.710 29.669 1.00 17.41 ? 380 PHE A C 1 ATOM 3032 O O . PHE A 1 380 ? 4.250 14.627 30.455 1.00 16.80 ? 380 PHE A O 1 ATOM 3033 C CB . PHE A 1 380 ? 6.654 12.791 30.549 1.00 14.50 ? 380 PHE A CB 1 ATOM 3034 C CG . PHE A 1 380 ? 8.113 12.491 30.369 1.00 14.21 ? 380 PHE A CG 1 ATOM 3035 C CD1 . PHE A 1 380 ? 8.566 11.778 29.267 1.00 13.93 ? 380 PHE A CD1 1 ATOM 3036 C CD2 . PHE A 1 380 ? 9.034 12.906 31.321 1.00 13.22 ? 380 PHE A CD2 1 ATOM 3037 C CE1 . PHE A 1 380 ? 9.914 11.487 29.119 1.00 14.11 ? 380 PHE A CE1 1 ATOM 3038 C CE2 . PHE A 1 380 ? 10.380 12.619 31.180 1.00 13.45 ? 380 PHE A CE2 1 ATOM 3039 C CZ . PHE A 1 380 ? 10.820 11.908 30.075 1.00 12.98 ? 380 PHE A CZ 1 ATOM 3040 N N . PHE A 1 381 ? 3.579 12.959 29.089 1.00 17.88 ? 381 PHE A N 1 ATOM 3041 C CA . PHE A 1 381 ? 2.149 13.144 29.337 1.00 18.77 ? 381 PHE A CA 1 ATOM 3042 C C . PHE A 1 381 ? 1.691 14.560 29.073 1.00 20.17 ? 381 PHE A C 1 ATOM 3043 O O . PHE A 1 381 ? 0.797 15.082 29.736 1.00 21.15 ? 381 PHE A O 1 ATOM 3044 C CB . PHE A 1 381 ? 1.815 12.728 30.764 1.00 17.13 ? 381 PHE A CB 1 ATOM 3045 C CG . PHE A 1 381 ? 1.914 11.251 30.974 1.00 18.56 ? 381 PHE A CG 1 ATOM 3046 C CD1 . PHE A 1 381 ? 0.904 10.404 30.520 1.00 16.16 ? 381 PHE A CD1 1 ATOM 3047 C CD2 . PHE A 1 381 ? 3.044 10.696 31.552 1.00 15.56 ? 381 PHE A CD2 1 ATOM 3048 C CE1 . PHE A 1 381 ? 1.023 9.025 30.640 1.00 16.70 ? 381 PHE A CE1 1 ATOM 3049 C CE2 . PHE A 1 381 ? 3.171 9.324 31.674 1.00 17.34 ? 381 PHE A CE2 1 ATOM 3050 C CZ . PHE A 1 381 ? 2.156 8.484 31.216 1.00 17.12 ? 381 PHE A CZ 1 ATOM 3051 N N . ASN A 1 382 ? 2.311 15.157 28.066 1.00 21.62 ? 382 ASN A N 1 ATOM 3052 C CA . ASN A 1 382 ? 2.029 16.515 27.653 1.00 20.45 ? 382 ASN A CA 1 ATOM 3053 C C . ASN A 1 382 ? 1.253 16.470 26.342 1.00 20.68 ? 382 ASN A C 1 ATOM 3054 O O . ASN A 1 382 ? 1.810 16.115 25.308 1.00 21.27 ? 382 ASN A O 1 ATOM 3055 C CB . ASN A 1 382 ? 3.355 17.249 27.447 1.00 20.54 ? 382 ASN A CB 1 ATOM 3056 C CG . ASN A 1 382 ? 3.180 18.732 27.220 1.00 22.64 ? 382 ASN A CG 1 ATOM 3057 O OD1 . ASN A 1 382 ? 2.273 19.164 26.507 1.00 22.60 ? 382 ASN A OD1 1 ATOM 3058 N ND2 . ASN A 1 382 ? 4.068 19.523 27.812 1.00 20.42 ? 382 ASN A ND2 1 ATOM 3059 N N . THR A 1 383 ? -0.036 16.789 26.387 1.00 20.88 ? 383 THR A N 1 ATOM 3060 C CA . THR A 1 383 ? -0.843 16.824 25.171 1.00 21.44 ? 383 THR A CA 1 ATOM 3061 C C . THR A 1 383 ? -1.163 18.274 24.777 1.00 21.84 ? 383 THR A C 1 ATOM 3062 O O . THR A 1 383 ? -1.543 18.541 23.630 1.00 20.32 ? 383 THR A O 1 ATOM 3063 C CB . THR A 1 383 ? -2.185 16.066 25.328 1.00 20.81 ? 383 THR A CB 1 ATOM 3064 O OG1 . THR A 1 383 ? -2.850 16.504 26.518 1.00 25.77 ? 383 THR A OG1 1 ATOM 3065 C CG2 . THR A 1 383 ? -1.958 14.562 25.388 1.00 22.08 ? 383 THR A CG2 1 ATOM 3066 N N . TRP A 1 384 ? -0.998 19.211 25.711 1.00 20.72 ? 384 TRP A N 1 ATOM 3067 C CA . TRP A 1 384 ? -1.323 20.600 25.408 1.00 21.87 ? 384 TRP A CA 1 ATOM 3068 C C . TRP A 1 384 ? -0.394 21.242 24.378 1.00 22.72 ? 384 TRP A C 1 ATOM 3069 O O . TRP A 1 384 ? -0.828 22.105 23.609 1.00 22.67 ? 384 TRP A O 1 ATOM 3070 C CB . TRP A 1 384 ? -1.411 21.456 26.689 1.00 21.18 ? 384 TRP A CB 1 ATOM 3071 C CG . TRP A 1 384 ? -0.113 21.812 27.368 1.00 23.26 ? 384 TRP A CG 1 ATOM 3072 C CD1 . TRP A 1 384 ? 0.476 21.161 28.422 1.00 23.26 ? 384 TRP A CD1 1 ATOM 3073 C CD2 . TRP A 1 384 ? 0.739 22.923 27.060 1.00 22.91 ? 384 TRP A CD2 1 ATOM 3074 N NE1 . TRP A 1 384 ? 1.638 21.800 28.783 1.00 24.29 ? 384 TRP A NE1 1 ATOM 3075 C CE2 . TRP A 1 384 ? 1.828 22.880 27.959 1.00 23.94 ? 384 TRP A CE2 1 ATOM 3076 C CE3 . TRP A 1 384 ? 0.694 23.945 26.102 1.00 25.13 ? 384 TRP A CE3 1 ATOM 3077 C CZ2 . TRP A 1 384 ? 2.857 23.828 27.938 1.00 25.18 ? 384 TRP A CZ2 1 ATOM 3078 C CZ3 . TRP A 1 384 ? 1.719 24.888 26.080 1.00 24.58 ? 384 TRP A CZ3 1 ATOM 3079 C CH2 . TRP A 1 384 ? 2.787 24.818 26.989 1.00 24.87 ? 384 TRP A CH2 1 ATOM 3080 N N . ARG A 1 385 ? 0.866 20.813 24.332 1.00 22.73 ? 385 ARG A N 1 ATOM 3081 C CA . ARG A 1 385 ? 1.810 21.358 23.351 1.00 23.45 ? 385 ARG A CA 1 ATOM 3082 C C . ARG A 1 385 ? 1.394 21.003 21.930 1.00 23.31 ? 385 ARG A C 1 ATOM 3083 O O . ARG A 1 385 ? 1.826 21.642 20.969 1.00 25.06 ? 385 ARG A O 1 ATOM 3084 C CB . ARG A 1 385 ? 3.217 20.828 23.602 1.00 22.62 ? 385 ARG A CB 1 ATOM 3085 C CG . ARG A 1 385 ? 3.948 21.510 24.722 1.00 22.05 ? 385 ARG A CG 1 ATOM 3086 C CD . ARG A 1 385 ? 4.617 22.808 24.272 1.00 21.83 ? 385 ARG A CD 1 ATOM 3087 N NE . ARG A 1 385 ? 5.404 23.334 25.381 1.00 22.87 ? 385 ARG A NE 1 ATOM 3088 C CZ . ARG A 1 385 ? 5.830 24.586 25.494 1.00 23.94 ? 385 ARG A CZ 1 ATOM 3089 N NH1 . ARG A 1 385 ? 5.552 25.475 24.549 1.00 25.30 ? 385 ARG A NH1 1 ATOM 3090 N NH2 . ARG A 1 385 ? 6.516 24.950 26.572 1.00 22.14 ? 385 ARG A NH2 1 ATOM 3091 N N . ILE A 1 386 ? 0.580 19.962 21.790 1.00 22.74 ? 386 ILE A N 1 ATOM 3092 C CA . ILE A 1 386 ? 0.104 19.575 20.470 1.00 23.67 ? 386 ILE A CA 1 ATOM 3093 C C . ILE A 1 386 ? -1.145 20.397 20.151 1.00 25.43 ? 386 ILE A C 1 ATOM 3094 O O . ILE A 1 386 ? -1.182 21.142 19.172 1.00 26.80 ? 386 ILE A O 1 ATOM 3095 C CB . ILE A 1 386 ? -0.275 18.073 20.401 1.00 21.92 ? 386 ILE A CB 1 ATOM 3096 C CG1 . ILE A 1 386 ? 0.976 17.197 20.505 1.00 20.42 ? 386 ILE A CG1 1 ATOM 3097 C CG2 . ILE A 1 386 ? -0.995 17.785 19.096 1.00 20.68 ? 386 ILE A CG2 1 ATOM 3098 C CD1 . ILE A 1 386 ? 0.668 15.719 20.686 1.00 17.12 ? 386 ILE A CD1 1 ATOM 3099 N N . ILE A 1 387 ? -2.158 20.261 20.999 1.00 27.20 ? 387 ILE A N 1 ATOM 3100 C CA . ILE A 1 387 ? -3.424 20.952 20.811 1.00 30.35 ? 387 ILE A CA 1 ATOM 3101 C C . ILE A 1 387 ? -3.302 22.472 20.851 1.00 31.58 ? 387 ILE A C 1 ATOM 3102 O O . ILE A 1 387 ? -3.907 23.167 20.037 1.00 33.25 ? 387 ILE A O 1 ATOM 3103 C CB . ILE A 1 387 ? -4.451 20.533 21.890 1.00 30.32 ? 387 ILE A CB 1 ATOM 3104 C CG1 . ILE A 1 387 ? -4.448 19.010 22.083 1.00 31.64 ? 387 ILE A CG1 1 ATOM 3105 C CG2 . ILE A 1 387 ? -5.846 21.001 21.480 1.00 31.85 ? 387 ILE A CG2 1 ATOM 3106 C CD1 . ILE A 1 387 ? -5.278 18.249 21.069 1.00 30.36 ? 387 ILE A CD1 1 ATOM 3107 N N . LYS A 1 388 ? -2.511 22.982 21.789 1.00 32.69 ? 388 LYS A N 1 ATOM 3108 C CA . LYS A 1 388 ? -2.340 24.424 21.961 1.00 34.69 ? 388 LYS A CA 1 ATOM 3109 C C . LYS A 1 388 ? -1.115 25.070 21.318 1.00 34.58 ? 388 LYS A C 1 ATOM 3110 O O . LYS A 1 388 ? -1.045 26.293 21.237 1.00 36.42 ? 388 LYS A O 1 ATOM 3111 C CB . LYS A 1 388 ? -2.310 24.764 23.461 1.00 36.49 ? 388 LYS A CB 1 ATOM 3112 C CG . LYS A 1 388 ? -3.609 25.286 24.065 1.00 39.43 ? 388 LYS A CG 1 ATOM 3113 C CD . LYS A 1 388 ? -4.765 24.331 23.852 1.00 41.79 ? 388 LYS A CD 1 ATOM 3114 C CE . LYS A 1 388 ? -5.829 24.514 24.938 1.00 44.87 ? 388 LYS A CE 1 ATOM 3115 N NZ . LYS A 1 388 ? -6.392 25.898 24.987 1.00 46.18 ? 388 LYS A NZ 1 ATOM 3116 N N . ASP A 1 389 ? -0.163 24.280 20.835 1.00 33.84 ? 389 ASP A N 1 ATOM 3117 C CA . ASP A 1 389 ? 1.056 24.877 20.307 1.00 31.72 ? 389 ASP A CA 1 ATOM 3118 C C . ASP A 1 389 ? 1.535 24.417 18.923 1.00 30.94 ? 389 ASP A C 1 ATOM 3119 O O . ASP A 1 389 ? 2.693 24.012 18.766 1.00 29.77 ? 389 ASP A O 1 ATOM 3120 C CB . ASP A 1 389 ? 2.158 24.666 21.358 1.00 33.38 ? 389 ASP A CB 1 ATOM 3121 C CG . ASP A 1 389 ? 3.233 25.740 21.332 1.00 33.62 ? 389 ASP A CG 1 ATOM 3122 O OD1 . ASP A 1 389 ? 2.935 26.893 20.956 1.00 35.87 ? 389 ASP A OD1 1 ATOM 3123 O OD2 . ASP A 1 389 ? 4.380 25.427 21.720 1.00 34.71 ? 389 ASP A OD2 1 ATOM 3124 N N . GLY A 1 390 ? 0.647 24.469 17.928 1.00 29.14 ? 390 GLY A N 1 ATOM 3125 C CA . GLY A 1 390 ? 1.029 24.109 16.567 1.00 26.93 ? 390 GLY A CA 1 ATOM 3126 C C . GLY A 1 390 ? 0.562 22.825 15.883 1.00 26.41 ? 390 GLY A C 1 ATOM 3127 O O . GLY A 1 390 ? 0.809 22.663 14.687 1.00 25.01 ? 390 GLY A O 1 ATOM 3128 N N . GLY A 1 391 ? -0.105 21.915 16.591 1.00 25.89 ? 391 GLY A N 1 ATOM 3129 C CA . GLY A 1 391 ? -0.523 20.672 15.948 1.00 25.01 ? 391 GLY A CA 1 ATOM 3130 C C . GLY A 1 391 ? 0.637 19.682 15.846 1.00 23.76 ? 391 GLY A C 1 ATOM 3131 O O . GLY A 1 391 ? 1.634 19.850 16.553 1.00 23.83 ? 391 GLY A O 1 ATOM 3132 N N . ILE A 1 392 ? 0.550 18.677 14.970 1.00 22.11 ? 392 ILE A N 1 ATOM 3133 C CA . ILE A 1 392 ? 1.633 17.687 14.880 1.00 23.62 ? 392 ILE A CA 1 ATOM 3134 C C . ILE A 1 392 ? 2.704 17.852 13.801 1.00 23.45 ? 392 ILE A C 1 ATOM 3135 O O . ILE A 1 392 ? 3.793 17.308 13.949 1.00 24.69 ? 392 ILE A O 1 ATOM 3136 C CB . ILE A 1 392 ? 1.091 16.203 14.805 1.00 23.76 ? 392 ILE A CB 1 ATOM 3137 C CG1 . ILE A 1 392 ? 0.264 15.968 13.543 1.00 22.82 ? 392 ILE A CG1 1 ATOM 3138 C CG2 . ILE A 1 392 ? 0.277 15.876 16.045 1.00 22.66 ? 392 ILE A CG2 1 ATOM 3139 C CD1 . ILE A 1 392 ? 1.096 15.695 12.315 1.00 27.92 ? 392 ILE A CD1 1 ATOM 3140 N N . ASP A 1 393 ? 2.422 18.595 12.733 1.00 23.27 ? 393 ASP A N 1 ATOM 3141 C CA . ASP A 1 393 ? 3.403 18.792 11.654 1.00 21.83 ? 393 ASP A CA 1 ATOM 3142 C C . ASP A 1 393 ? 4.784 19.293 12.097 1.00 20.86 ? 393 ASP A C 1 ATOM 3143 O O . ASP A 1 393 ? 5.810 18.841 11.582 1.00 20.63 ? 393 ASP A O 1 ATOM 3144 C CB . ASP A 1 393 ? 2.840 19.749 10.600 1.00 23.92 ? 393 ASP A CB 1 ATOM 3145 C CG . ASP A 1 393 ? 1.740 19.123 9.767 1.00 23.71 ? 393 ASP A CG 1 ATOM 3146 O OD1 . ASP A 1 393 ? 1.230 18.046 10.136 1.00 25.75 ? 393 ASP A OD1 1 ATOM 3147 O OD2 . ASP A 1 393 ? 1.378 19.721 8.739 1.00 26.39 ? 393 ASP A OD2 1 ATOM 3148 N N . PRO A 1 394 ? 4.831 20.269 13.019 1.00 19.52 ? 394 PRO A N 1 ATOM 3149 C CA . PRO A 1 394 ? 6.142 20.755 13.462 1.00 19.46 ? 394 PRO A CA 1 ATOM 3150 C C . PRO A 1 394 ? 6.919 19.637 14.161 1.00 19.54 ? 394 PRO A C 1 ATOM 3151 O O . PRO A 1 394 ? 8.143 19.554 14.057 1.00 18.13 ? 394 PRO A O 1 ATOM 3152 C CB . PRO A 1 394 ? 5.782 21.892 14.416 1.00 20.14 ? 394 PRO A CB 1 ATOM 3153 C CG . PRO A 1 394 ? 4.516 22.426 13.823 1.00 20.46 ? 394 PRO A CG 1 ATOM 3154 C CD . PRO A 1 394 ? 3.757 21.159 13.497 1.00 19.91 ? 394 PRO A CD 1 ATOM 3155 N N . LEU A 1 395 ? 6.190 18.784 14.876 1.00 18.51 ? 395 LEU A N 1 ATOM 3156 C CA . LEU A 1 395 ? 6.792 17.669 15.591 1.00 18.60 ? 395 LEU A CA 1 ATOM 3157 C C . LEU A 1 395 ? 7.219 16.602 14.590 1.00 18.60 ? 395 LEU A C 1 ATOM 3158 O O . LEU A 1 395 ? 8.298 16.030 14.733 1.00 18.32 ? 395 LEU A O 1 ATOM 3159 C CB . LEU A 1 395 ? 5.804 17.089 16.612 1.00 17.35 ? 395 LEU A CB 1 ATOM 3160 C CG . LEU A 1 395 ? 5.442 17.958 17.829 1.00 18.08 ? 395 LEU A CG 1 ATOM 3161 C CD1 . LEU A 1 395 ? 4.198 17.415 18.503 1.00 15.58 ? 395 LEU A CD1 1 ATOM 3162 C CD2 . LEU A 1 395 ? 6.611 17.996 18.811 1.00 14.85 ? 395 LEU A CD2 1 ATOM 3163 N N . VAL A 1 396 ? 6.388 16.338 13.578 1.00 18.45 ? 396 VAL A N 1 ATOM 3164 C CA . VAL A 1 396 ? 6.742 15.343 12.569 1.00 18.05 ? 396 VAL A CA 1 ATOM 3165 C C . VAL A 1 396 ? 8.010 15.760 11.809 1.00 19.42 ? 396 VAL A C 1 ATOM 3166 O O . VAL A 1 396 ? 8.845 14.916 11.499 1.00 21.80 ? 396 VAL A O 1 ATOM 3167 C CB . VAL A 1 396 ? 5.591 15.092 11.547 1.00 18.74 ? 396 VAL A CB 1 ATOM 3168 C CG1 . VAL A 1 396 ? 6.083 14.188 10.417 1.00 15.31 ? 396 VAL A CG1 1 ATOM 3169 C CG2 . VAL A 1 396 ? 4.403 14.430 12.245 1.00 18.32 ? 396 VAL A CG2 1 ATOM 3170 N N . ARG A 1 397 ? 8.174 17.049 11.523 1.00 19.40 ? 397 ARG A N 1 ATOM 3171 C CA . ARG A 1 397 ? 9.371 17.493 10.807 1.00 20.25 ? 397 ARG A CA 1 ATOM 3172 C C . ARG A 1 397 ? 10.624 17.214 11.635 1.00 19.98 ? 397 ARG A C 1 ATOM 3173 O O . ARG A 1 397 ? 11.649 16.783 11.101 1.00 19.19 ? 397 ARG A O 1 ATOM 3174 C CB . ARG A 1 397 ? 9.293 18.989 10.476 1.00 21.76 ? 397 ARG A CB 1 ATOM 3175 C CG . ARG A 1 397 ? 8.182 19.348 9.500 1.00 22.68 ? 397 ARG A CG 1 ATOM 3176 C CD . ARG A 1 397 ? 8.225 20.819 9.075 1.00 24.03 ? 397 ARG A CD 1 ATOM 3177 N NE . ARG A 1 397 ? 7.040 21.167 8.296 1.00 24.44 ? 397 ARG A NE 1 ATOM 3178 C CZ . ARG A 1 397 ? 5.992 21.828 8.779 1.00 24.78 ? 397 ARG A CZ 1 ATOM 3179 N NH1 . ARG A 1 397 ? 5.983 22.230 10.043 1.00 22.52 ? 397 ARG A NH1 1 ATOM 3180 N NH2 . ARG A 1 397 ? 4.940 22.062 8.000 1.00 26.76 ? 397 ARG A NH2 1 ATOM 3181 N N . GLY A 1 398 ? 10.533 17.465 12.940 1.00 19.57 ? 398 GLY A N 1 ATOM 3182 C CA . GLY A 1 398 ? 11.654 17.218 13.833 1.00 17.60 ? 398 GLY A CA 1 ATOM 3183 C C . GLY A 1 398 ? 12.020 15.744 13.852 1.00 18.78 ? 398 GLY A C 1 ATOM 3184 O O . GLY A 1 398 ? 13.195 15.390 13.964 1.00 19.04 ? 398 GLY A O 1 ATOM 3185 N N . LEU A 1 399 ? 11.013 14.879 13.747 1.00 18.91 ? 399 LEU A N 1 ATOM 3186 C CA . LEU A 1 399 ? 11.238 13.437 13.724 1.00 19.68 ? 399 LEU A CA 1 ATOM 3187 C C . LEU A 1 399 ? 12.070 13.048 12.505 1.00 19.83 ? 399 LEU A C 1 ATOM 3188 O O . LEU A 1 399 ? 12.886 12.128 12.558 1.00 18.28 ? 399 LEU A O 1 ATOM 3189 C CB . LEU A 1 399 ? 9.899 12.688 13.687 1.00 18.82 ? 399 LEU A CB 1 ATOM 3190 C CG . LEU A 1 399 ? 9.295 12.333 15.046 1.00 19.33 ? 399 LEU A CG 1 ATOM 3191 C CD1 . LEU A 1 399 ? 7.871 11.823 14.872 1.00 19.63 ? 399 LEU A CD1 1 ATOM 3192 C CD2 . LEU A 1 399 ? 10.173 11.286 15.715 1.00 15.79 ? 399 LEU A CD2 1 ATOM 3193 N N . LEU A 1 400 ? 11.861 13.775 11.412 1.00 20.61 ? 400 LEU A N 1 ATOM 3194 C CA . LEU A 1 400 ? 12.556 13.518 10.160 1.00 19.18 ? 400 LEU A CA 1 ATOM 3195 C C . LEU A 1 400 ? 13.922 14.170 10.035 1.00 19.02 ? 400 LEU A C 1 ATOM 3196 O O . LEU A 1 400 ? 14.843 13.579 9.474 1.00 18.76 ? 400 LEU A O 1 ATOM 3197 C CB . LEU A 1 400 ? 11.696 13.985 8.989 1.00 17.04 ? 400 LEU A CB 1 ATOM 3198 C CG . LEU A 1 400 ? 10.396 13.227 8.743 1.00 18.43 ? 400 LEU A CG 1 ATOM 3199 C CD1 . LEU A 1 400 ? 9.619 13.906 7.622 1.00 17.68 ? 400 LEU A CD1 1 ATOM 3200 C CD2 . LEU A 1 400 ? 10.706 11.780 8.388 1.00 16.68 ? 400 LEU A CD2 1 ATOM 3201 N N . ALA A 1 401 ? 14.059 15.386 10.556 1.00 19.12 ? 401 ALA A N 1 ATOM 3202 C CA . ALA A 1 401 ? 15.318 16.103 10.422 1.00 19.25 ? 401 ALA A CA 1 ATOM 3203 C C . ALA A 1 401 ? 16.264 16.036 11.605 1.00 19.22 ? 401 ALA A C 1 ATOM 3204 O O . ALA A 1 401 ? 17.416 16.445 11.494 1.00 18.76 ? 401 ALA A O 1 ATOM 3205 C CB . ALA A 1 401 ? 15.043 17.555 10.057 1.00 21.07 ? 401 ALA A CB 1 ATOM 3206 N N . LYS A 1 402 ? 15.802 15.527 12.738 1.00 18.84 ? 402 LYS A N 1 ATOM 3207 C CA . LYS A 1 402 ? 16.691 15.434 13.885 1.00 18.18 ? 402 LYS A CA 1 ATOM 3208 C C . LYS A 1 402 ? 17.163 13.996 14.055 1.00 18.37 ? 402 LYS A C 1 ATOM 3209 O O . LYS A 1 402 ? 16.622 13.081 13.430 1.00 18.51 ? 402 LYS A O 1 ATOM 3210 C CB . LYS A 1 402 ? 15.993 15.966 15.135 1.00 17.87 ? 402 LYS A CB 1 ATOM 3211 C CG . LYS A 1 402 ? 15.649 17.446 15.012 1.00 19.28 ? 402 LYS A CG 1 ATOM 3212 C CD . LYS A 1 402 ? 16.913 18.297 14.957 1.00 20.26 ? 402 LYS A CD 1 ATOM 3213 C CE . LYS A 1 402 ? 16.601 19.755 14.657 1.00 20.88 ? 402 LYS A CE 1 ATOM 3214 N NZ . LYS A 1 402 ? 17.647 20.666 15.235 1.00 22.06 ? 402 LYS A NZ 1 ATOM 3215 N N . LYS A 1 403 ? 18.175 13.797 14.892 1.00 18.36 ? 403 LYS A N 1 ATOM 3216 C CA . LYS A 1 403 ? 18.753 12.474 15.095 1.00 18.67 ? 403 LYS A CA 1 ATOM 3217 C C . LYS A 1 403 ? 18.422 11.804 16.414 1.00 17.16 ? 403 LYS A C 1 ATOM 3218 O O . LYS A 1 403 ? 18.027 12.462 17.373 1.00 18.22 ? 403 LYS A O 1 ATOM 3219 C CB . LYS A 1 403 ? 20.276 12.557 14.981 1.00 21.52 ? 403 LYS A CB 1 ATOM 3220 C CG . LYS A 1 403 ? 20.796 13.033 13.636 1.00 23.58 ? 403 LYS A CG 1 ATOM 3221 C CD . LYS A 1 403 ? 22.282 13.362 13.757 1.00 27.95 ? 403 LYS A CD 1 ATOM 3222 C CE . LYS A 1 403 ? 22.941 13.579 12.405 1.00 28.45 ? 403 LYS A CE 1 ATOM 3223 N NZ . LYS A 1 403 ? 22.484 14.834 11.760 1.00 31.86 ? 403 LYS A NZ 1 ATOM 3224 N N . SER A 1 404 ? 18.579 10.482 16.441 1.00 15.11 ? 404 SER A N 1 ATOM 3225 C CA . SER A 1 404 ? 18.375 9.701 17.659 1.00 14.16 ? 404 SER A CA 1 ATOM 3226 C C . SER A 1 404 ? 19.688 9.826 18.418 1.00 14.10 ? 404 SER A C 1 ATOM 3227 O O . SER A 1 404 ? 20.697 10.290 17.872 1.00 14.00 ? 404 SER A O 1 ATOM 3228 C CB . SER A 1 404 ? 18.183 8.201 17.362 1.00 11.45 ? 404 SER A CB 1 ATOM 3229 O OG . SER A 1 404 ? 16.938 7.909 16.776 1.00 13.29 ? 404 SER A OG 1 ATOM 3230 N N . LYS A 1 405 ? 19.678 9.385 19.667 1.00 12.78 ? 405 LYS A N 1 ATOM 3231 C CA . LYS A 1 405 ? 20.889 9.394 20.463 1.00 11.88 ? 405 LYS A CA 1 ATOM 3232 C C . LYS A 1 405 ? 21.573 8.068 20.134 1.00 11.92 ? 405 LYS A C 1 ATOM 3233 O O . LYS A 1 405 ? 20.898 7.078 19.849 1.00 10.54 ? 405 LYS A O 1 ATOM 3234 C CB . LYS A 1 405 ? 20.556 9.458 21.959 1.00 8.24 ? 405 LYS A CB 1 ATOM 3235 C CG . LYS A 1 405 ? 21.779 9.300 22.854 1.00 7.86 ? 405 LYS A CG 1 ATOM 3236 C CD . LYS A 1 405 ? 21.417 9.337 24.318 1.00 8.40 ? 405 LYS A CD 1 ATOM 3237 C CE . LYS A 1 405 ? 22.548 8.807 25.181 1.00 10.14 ? 405 LYS A CE 1 ATOM 3238 N NZ . LYS A 1 405 ? 22.849 7.375 24.888 1.00 12.28 ? 405 LYS A NZ 1 ATOM 3239 N N . LEU A 1 406 ? 22.902 8.060 20.137 1.00 12.39 ? 406 LEU A N 1 ATOM 3240 C CA . LEU A 1 406 ? 23.664 6.849 19.870 1.00 15.24 ? 406 LEU A CA 1 ATOM 3241 C C . LEU A 1 406 ? 23.991 6.201 21.220 1.00 17.45 ? 406 LEU A C 1 ATOM 3242 O O . LEU A 1 406 ? 24.375 6.886 22.172 1.00 15.56 ? 406 LEU A O 1 ATOM 3243 C CB . LEU A 1 406 ? 24.973 7.192 19.143 1.00 14.92 ? 406 LEU A CB 1 ATOM 3244 C CG . LEU A 1 406 ? 25.923 6.058 18.737 1.00 15.77 ? 406 LEU A CG 1 ATOM 3245 C CD1 . LEU A 1 406 ? 25.394 5.379 17.474 1.00 16.98 ? 406 LEU A CD1 1 ATOM 3246 C CD2 . LEU A 1 406 ? 27.319 6.622 18.466 1.00 16.02 ? 406 LEU A CD2 1 ATOM 3247 N N . MET A 1 407 ? 23.813 4.888 21.307 1.00 19.40 ? 407 MET A N 1 ATOM 3248 C CA . MET A 1 407 ? 24.139 4.164 22.523 1.00 22.12 ? 407 MET A CA 1 ATOM 3249 C C . MET A 1 407 ? 25.645 4.373 22.670 1.00 21.63 ? 407 MET A C 1 ATOM 3250 O O . MET A 1 407 ? 26.397 4.213 21.708 1.00 20.73 ? 407 MET A O 1 ATOM 3251 C CB . MET A 1 407 ? 23.844 2.675 22.335 1.00 25.21 ? 407 MET A CB 1 ATOM 3252 C CG . MET A 1 407 ? 23.490 1.894 23.598 1.00 30.99 ? 407 MET A CG 1 ATOM 3253 S SD . MET A 1 407 ? 24.645 2.033 24.990 1.00 39.97 ? 407 MET A SD 1 ATOM 3254 C CE . MET A 1 407 ? 26.168 1.487 24.231 1.00 30.55 ? 407 MET A CE 1 ATOM 3255 N N . ASN A 1 408 ? 26.084 4.746 23.862 1.00 22.69 ? 408 ASN A N 1 ATOM 3256 C CA . ASN A 1 408 ? 27.502 4.960 24.108 1.00 22.95 ? 408 ASN A CA 1 ATOM 3257 C C . ASN A 1 408 ? 27.821 4.390 25.491 1.00 21.77 ? 408 ASN A C 1 ATOM 3258 O O . ASN A 1 408 ? 27.138 4.699 26.467 1.00 19.93 ? 408 ASN A O 1 ATOM 3259 C CB . ASN A 1 408 ? 27.799 6.460 24.053 1.00 26.08 ? 408 ASN A CB 1 ATOM 3260 C CG . ASN A 1 408 ? 29.276 6.765 23.931 1.00 29.29 ? 408 ASN A CG 1 ATOM 3261 O OD1 . ASN A 1 408 ? 30.065 6.464 24.828 1.00 33.48 ? 408 ASN A OD1 1 ATOM 3262 N ND2 . ASN A 1 408 ? 29.659 7.379 22.817 1.00 30.17 ? 408 ASN A ND2 1 ATOM 3263 N N . GLN A 1 409 ? 28.853 3.555 25.574 1.00 20.10 ? 409 GLN A N 1 ATOM 3264 C CA . GLN A 1 409 ? 29.237 2.950 26.846 1.00 20.78 ? 409 GLN A CA 1 ATOM 3265 C C . GLN A 1 409 ? 29.513 3.938 27.992 1.00 21.33 ? 409 GLN A C 1 ATOM 3266 O O . GLN A 1 409 ? 29.329 3.581 29.158 1.00 19.93 ? 409 GLN A O 1 ATOM 3267 C CB . GLN A 1 409 ? 30.444 2.020 26.649 1.00 19.92 ? 409 GLN A CB 1 ATOM 3268 C CG . GLN A 1 409 ? 30.105 0.666 25.996 1.00 19.67 ? 409 GLN A CG 1 ATOM 3269 C CD . GLN A 1 409 ? 31.354 -0.119 25.631 1.00 20.35 ? 409 GLN A CD 1 ATOM 3270 O OE1 . GLN A 1 409 ? 32.379 0.473 25.303 1.00 23.55 ? 409 GLN A OE1 1 ATOM 3271 N NE2 . GLN A 1 409 ? 31.274 -1.449 25.671 1.00 19.61 ? 409 GLN A NE2 1 ATOM 3272 N N . ASP A 1 410 ? 29.948 5.162 27.675 1.00 22.72 ? 410 ASP A N 1 ATOM 3273 C CA . ASP A 1 410 ? 30.223 6.185 28.705 1.00 24.59 ? 410 ASP A CA 1 ATOM 3274 C C . ASP A 1 410 ? 29.055 7.138 28.897 1.00 22.42 ? 410 ASP A C 1 ATOM 3275 O O . ASP A 1 410 ? 29.063 7.959 29.810 1.00 23.30 ? 410 ASP A O 1 ATOM 3276 C CB . ASP A 1 410 ? 31.417 7.073 28.343 1.00 28.41 ? 410 ASP A CB 1 ATOM 3277 C CG . ASP A 1 410 ? 32.704 6.310 28.195 1.00 35.64 ? 410 ASP A CG 1 ATOM 3278 O OD1 . ASP A 1 410 ? 32.930 5.328 28.943 1.00 37.01 ? 410 ASP A OD1 1 ATOM 3279 O OD2 . ASP A 1 410 ? 33.510 6.719 27.330 1.00 40.52 ? 410 ASP A OD2 1 ATOM 3280 N N . LYS A 1 411 ? 28.073 7.060 28.011 1.00 19.96 ? 411 LYS A N 1 ATOM 3281 C CA . LYS A 1 411 ? 26.921 7.945 28.080 1.00 18.42 ? 411 LYS A CA 1 ATOM 3282 C C . LYS A 1 411 ? 25.718 7.123 27.667 1.00 16.26 ? 411 LYS A C 1 ATOM 3283 O O . LYS A 1 411 ? 25.307 7.151 26.517 1.00 15.82 ? 411 LYS A O 1 ATOM 3284 C CB . LYS A 1 411 ? 27.084 9.144 27.144 1.00 18.87 ? 411 LYS A CB 1 ATOM 3285 C CG . LYS A 1 411 ? 28.307 10.010 27.389 1.00 19.74 ? 411 LYS A CG 1 ATOM 3286 C CD . LYS A 1 411 ? 28.535 10.965 26.239 1.00 19.65 ? 411 LYS A CD 1 ATOM 3287 C CE . LYS A 1 411 ? 29.549 12.036 26.597 1.00 21.66 ? 411 LYS A CE 1 ATOM 3288 N NZ . LYS A 1 411 ? 29.386 13.250 25.747 1.00 24.66 ? 411 LYS A NZ 1 ATOM 3289 N N . MET A 1 412 ? 25.108 6.405 28.615 1.00 15.18 ? 412 MET A N 1 ATOM 3290 C CA . MET A 1 412 ? 24.001 5.464 28.298 1.00 13.37 ? 412 MET A CA 1 ATOM 3291 C C . MET A 1 412 ? 22.566 5.988 28.204 1.00 13.79 ? 412 MET A C 1 ATOM 3292 O O . MET A 1 412 ? 21.910 5.832 27.175 1.00 13.84 ? 412 MET A O 1 ATOM 3293 C CB . MET A 1 412 ? 24.046 4.351 29.337 1.00 15.43 ? 412 MET A CB 1 ATOM 3294 C CG . MET A 1 412 ? 25.360 3.589 29.409 1.00 15.24 ? 412 MET A CG 1 ATOM 3295 S SD . MET A 1 412 ? 25.154 1.991 30.194 1.00 16.02 ? 412 MET A SD 1 ATOM 3296 C CE . MET A 1 412 ? 26.768 1.277 29.905 1.00 16.51 ? 412 MET A CE 1 ATOM 3297 N N . VAL A 1 413 ? 22.071 6.593 29.293 1.00 13.02 ? 413 VAL A N 1 ATOM 3298 C CA . VAL A 1 413 ? 20.719 7.127 29.345 1.00 12.73 ? 413 VAL A CA 1 ATOM 3299 C C . VAL A 1 413 ? 20.711 8.596 29.773 1.00 13.80 ? 413 VAL A C 1 ATOM 3300 O O . VAL A 1 413 ? 21.266 8.950 30.815 1.00 12.59 ? 413 VAL A O 1 ATOM 3301 C CB . VAL A 1 413 ? 19.809 6.299 30.315 1.00 13.54 ? 413 VAL A CB 1 ATOM 3302 C CG1 . VAL A 1 413 ? 18.459 6.990 30.519 1.00 11.18 ? 413 VAL A CG1 1 ATOM 3303 C CG2 . VAL A 1 413 ? 19.606 4.888 29.796 1.00 9.78 ? 413 VAL A CG2 1 ATOM 3304 N N . THR A 1 414 ? 20.073 9.445 28.971 1.00 11.98 ? 414 THR A N 1 ATOM 3305 C CA . THR A 1 414 ? 20.004 10.867 29.282 1.00 11.18 ? 414 THR A CA 1 ATOM 3306 C C . THR A 1 414 ? 19.324 11.120 30.633 1.00 12.06 ? 414 THR A C 1 ATOM 3307 O O . THR A 1 414 ? 18.474 10.342 31.068 1.00 11.49 ? 414 THR A O 1 ATOM 3308 C CB . THR A 1 414 ? 19.255 11.644 28.164 1.00 10.65 ? 414 THR A CB 1 ATOM 3309 O OG1 . THR A 1 414 ? 19.234 13.041 28.482 1.00 12.57 ? 414 THR A OG1 1 ATOM 3310 C CG2 . THR A 1 414 ? 17.823 11.136 28.011 1.00 9.90 ? 414 THR A CG2 1 ATOM 3311 N N . SER A 1 415 ? 19.713 12.212 31.288 1.00 12.77 ? 415 SER A N 1 ATOM 3312 C CA . SER A 1 415 ? 19.170 12.596 32.586 1.00 13.95 ? 415 SER A CA 1 ATOM 3313 C C . SER A 1 415 ? 17.703 12.960 32.532 1.00 13.87 ? 415 SER A C 1 ATOM 3314 O O . SER A 1 415 ? 17.025 12.967 33.560 1.00 15.44 ? 415 SER A O 1 ATOM 3315 C CB . SER A 1 415 ? 19.946 13.782 33.163 1.00 14.71 ? 415 SER A CB 1 ATOM 3316 O OG . SER A 1 415 ? 21.233 13.386 33.600 1.00 21.50 ? 415 SER A OG 1 ATOM 3317 N N . GLU A 1 416 ? 17.214 13.292 31.343 1.00 15.93 ? 416 GLU A N 1 ATOM 3318 C CA . GLU A 1 416 ? 15.806 13.633 31.197 1.00 15.30 ? 416 GLU A CA 1 ATOM 3319 C C . GLU A 1 416 ? 15.001 12.398 31.593 1.00 13.76 ? 416 GLU A C 1 ATOM 3320 O O . GLU A 1 416 ? 13.918 12.507 32.158 1.00 13.12 ? 416 GLU A O 1 ATOM 3321 C CB . GLU A 1 416 ? 15.501 14.057 29.757 1.00 15.30 ? 416 GLU A CB 1 ATOM 3322 C CG . GLU A 1 416 ? 16.233 15.330 29.319 1.00 18.40 ? 416 GLU A CG 1 ATOM 3323 C CD . GLU A 1 416 ? 15.846 16.553 30.144 1.00 21.17 ? 416 GLU A CD 1 ATOM 3324 O OE1 . GLU A 1 416 ? 16.754 17.206 30.701 1.00 22.97 ? 416 GLU A OE1 1 ATOM 3325 O OE2 . GLU A 1 416 ? 14.638 16.866 30.233 1.00 21.09 ? 416 GLU A OE2 1 ATOM 3326 N N . LEU A 1 417 ? 15.558 11.223 31.315 1.00 13.62 ? 417 LEU A N 1 ATOM 3327 C CA . LEU A 1 417 ? 14.916 9.956 31.657 1.00 12.84 ? 417 LEU A CA 1 ATOM 3328 C C . LEU A 1 417 ? 15.484 9.339 32.935 1.00 13.51 ? 417 LEU A C 1 ATOM 3329 O O . LEU A 1 417 ? 14.796 8.587 33.624 1.00 13.82 ? 417 LEU A O 1 ATOM 3330 C CB . LEU A 1 417 ? 15.102 8.939 30.531 1.00 11.70 ? 417 LEU A CB 1 ATOM 3331 C CG . LEU A 1 417 ? 14.356 9.108 29.212 1.00 11.81 ? 417 LEU A CG 1 ATOM 3332 C CD1 . LEU A 1 417 ? 14.885 8.093 28.220 1.00 12.79 ? 417 LEU A CD1 1 ATOM 3333 C CD2 . LEU A 1 417 ? 12.858 8.925 29.428 1.00 13.46 ? 417 LEU A CD2 1 ATOM 3334 N N . ARG A 1 418 ? 16.737 9.650 33.252 1.00 15.07 ? 418 ARG A N 1 ATOM 3335 C CA . ARG A 1 418 ? 17.379 9.054 34.424 1.00 16.12 ? 418 ARG A CA 1 ATOM 3336 C C . ARG A 1 418 ? 17.107 9.722 35.771 1.00 16.52 ? 418 ARG A C 1 ATOM 3337 O O . ARG A 1 418 ? 17.245 9.081 36.813 1.00 14.28 ? 418 ARG A O 1 ATOM 3338 C CB . ARG A 1 418 ? 18.896 8.958 34.210 1.00 14.97 ? 418 ARG A CB 1 ATOM 3339 C CG . ARG A 1 418 ? 19.545 7.885 35.081 1.00 15.72 ? 418 ARG A CG 1 ATOM 3340 C CD . ARG A 1 418 ? 21.061 7.861 34.935 1.00 17.11 ? 418 ARG A CD 1 ATOM 3341 N NE . ARG A 1 418 ? 21.713 8.918 35.703 1.00 15.70 ? 418 ARG A NE 1 ATOM 3342 C CZ . ARG A 1 418 ? 21.870 8.902 37.024 1.00 16.60 ? 418 ARG A CZ 1 ATOM 3343 N NH1 . ARG A 1 418 ? 21.429 7.880 37.747 1.00 17.49 ? 418 ARG A NH1 1 ATOM 3344 N NH2 . ARG A 1 418 ? 22.467 9.918 37.628 1.00 19.39 ? 418 ARG A NH2 1 ATOM 3345 N N . ASN A 1 419 ? 16.730 11.000 35.760 1.00 17.74 ? 419 ASN A N 1 ATOM 3346 C CA . ASN A 1 419 ? 16.452 11.720 37.008 1.00 17.76 ? 419 ASN A CA 1 ATOM 3347 C C . ASN A 1 419 ? 15.139 12.472 36.977 1.00 19.16 ? 419 ASN A C 1 ATOM 3348 O O . ASN A 1 419 ? 14.616 12.846 38.032 1.00 17.67 ? 419 ASN A O 1 ATOM 3349 C CB . ASN A 1 419 ? 17.535 12.766 37.311 1.00 16.85 ? 419 ASN A CB 1 ATOM 3350 C CG . ASN A 1 419 ? 18.822 12.162 37.801 1.00 15.72 ? 419 ASN A CG 1 ATOM 3351 O OD1 . ASN A 1 419 ? 18.826 11.333 38.711 1.00 18.93 ? 419 ASN A OD1 1 ATOM 3352 N ND2 . ASN A 1 419 ? 19.932 12.590 37.217 1.00 15.96 ? 419 ASN A ND2 1 ATOM 3353 N N . LYS A 1 420 ? 14.603 12.697 35.780 1.00 18.38 ? 420 LYS A N 1 ATOM 3354 C CA . LYS A 1 420 ? 13.389 13.499 35.657 1.00 20.30 ? 420 LYS A CA 1 ATOM 3355 C C . LYS A 1 420 ? 12.156 12.866 35.015 1.00 19.88 ? 420 LYS A C 1 ATOM 3356 O O . LYS A 1 420 ? 11.287 13.578 34.514 1.00 20.26 ? 420 LYS A O 1 ATOM 3357 C CB . LYS A 1 420 ? 13.734 14.794 34.922 1.00 21.07 ? 420 LYS A CB 1 ATOM 3358 C CG . LYS A 1 420 ? 15.035 15.436 35.413 1.00 25.06 ? 420 LYS A CG 1 ATOM 3359 C CD . LYS A 1 420 ? 15.195 16.860 34.897 1.00 26.43 ? 420 LYS A CD 1 ATOM 3360 C CE . LYS A 1 420 ? 16.405 17.532 35.523 1.00 28.60 ? 420 LYS A CE 1 ATOM 3361 N NZ . LYS A 1 420 ? 16.615 18.902 34.974 1.00 31.22 ? 420 LYS A NZ 1 ATOM 3362 N N . LEU A 1 421 ? 12.068 11.542 35.043 1.00 19.15 ? 421 LEU A N 1 ATOM 3363 C CA . LEU A 1 421 ? 10.916 10.844 34.482 1.00 19.92 ? 421 LEU A CA 1 ATOM 3364 C C . LEU A 1 421 ? 9.636 11.134 35.288 1.00 20.14 ? 421 LEU A C 1 ATOM 3365 O O . LEU A 1 421 ? 9.655 11.155 36.516 1.00 19.70 ? 421 LEU A O 1 ATOM 3366 C CB . LEU A 1 421 ? 11.170 9.332 34.479 1.00 18.13 ? 421 LEU A CB 1 ATOM 3367 C CG . LEU A 1 421 ? 10.057 8.430 33.931 1.00 19.31 ? 421 LEU A CG 1 ATOM 3368 C CD1 . LEU A 1 421 ? 9.957 8.593 32.425 1.00 19.28 ? 421 LEU A CD1 1 ATOM 3369 C CD2 . LEU A 1 421 ? 10.342 6.973 34.296 1.00 18.08 ? 421 LEU A CD2 1 ATOM 3370 N N . PHE A 1 422 ? 8.527 11.364 34.595 1.00 20.13 ? 422 PHE A N 1 ATOM 3371 C CA . PHE A 1 422 ? 7.260 11.597 35.276 1.00 22.05 ? 422 PHE A CA 1 ATOM 3372 C C . PHE A 1 422 ? 6.446 10.306 35.154 1.00 22.20 ? 422 PHE A C 1 ATOM 3373 O O . PHE A 1 422 ? 6.350 9.723 34.073 1.00 20.96 ? 422 PHE A O 1 ATOM 3374 C CB . PHE A 1 422 ? 6.506 12.759 34.622 1.00 23.57 ? 422 PHE A CB 1 ATOM 3375 C CG . PHE A 1 422 ? 5.168 13.052 35.250 1.00 26.39 ? 422 PHE A CG 1 ATOM 3376 C CD1 . PHE A 1 422 ? 5.065 13.883 36.361 1.00 27.72 ? 422 PHE A CD1 1 ATOM 3377 C CD2 . PHE A 1 422 ? 4.004 12.493 34.723 1.00 28.55 ? 422 PHE A CD2 1 ATOM 3378 C CE1 . PHE A 1 422 ? 3.815 14.155 36.936 1.00 28.54 ? 422 PHE A CE1 1 ATOM 3379 C CE2 . PHE A 1 422 ? 2.751 12.757 35.292 1.00 28.40 ? 422 PHE A CE2 1 ATOM 3380 C CZ . PHE A 1 422 ? 2.659 13.588 36.396 1.00 28.79 ? 422 PHE A CZ 1 ATOM 3381 N N . GLN A 1 423 ? 5.882 9.853 36.269 1.00 25.39 ? 423 GLN A N 1 ATOM 3382 C CA . GLN A 1 423 ? 5.065 8.633 36.308 1.00 28.89 ? 423 GLN A CA 1 ATOM 3383 C C . GLN A 1 423 ? 3.603 9.037 36.473 1.00 30.28 ? 423 GLN A C 1 ATOM 3384 O O . GLN A 1 423 ? 3.274 9.821 37.360 1.00 29.24 ? 423 GLN A O 1 ATOM 3385 C CB . GLN A 1 423 ? 5.497 7.748 37.480 1.00 30.29 ? 423 GLN A CB 1 ATOM 3386 C CG . GLN A 1 423 ? 6.833 7.044 37.286 1.00 31.32 ? 423 GLN A CG 1 ATOM 3387 C CD . GLN A 1 423 ? 6.714 5.822 36.402 1.00 32.50 ? 423 GLN A CD 1 ATOM 3388 O OE1 . GLN A 1 423 ? 6.865 4.692 36.866 1.00 31.67 ? 423 GLN A OE1 1 ATOM 3389 N NE2 . GLN A 1 423 ? 6.430 6.041 35.123 1.00 31.84 ? 423 GLN A NE2 1 ATOM 3390 N N . PRO A 1 424 ? 2.700 8.478 35.645 1.00 33.29 ? 424 PRO A N 1 ATOM 3391 C CA . PRO A 1 424 ? 1.275 8.826 35.727 1.00 36.24 ? 424 PRO A CA 1 ATOM 3392 C C . PRO A 1 424 ? 0.627 8.867 37.113 1.00 39.21 ? 424 PRO A C 1 ATOM 3393 O O . PRO A 1 424 ? -0.114 9.801 37.423 1.00 42.09 ? 424 PRO A O 1 ATOM 3394 C CB . PRO A 1 424 ? 0.609 7.809 34.790 1.00 35.13 ? 424 PRO A CB 1 ATOM 3395 C CG . PRO A 1 424 ? 1.558 6.646 34.796 1.00 33.76 ? 424 PRO A CG 1 ATOM 3396 C CD . PRO A 1 424 ? 2.905 7.320 34.756 1.00 33.10 ? 424 PRO A CD 1 ATOM 3397 N N . THR A 1 425 ? 0.923 7.873 37.942 1.00 40.76 ? 425 THR A N 1 ATOM 3398 C CA . THR A 1 425 ? 0.354 7.758 39.285 1.00 43.75 ? 425 THR A CA 1 ATOM 3399 C C . THR A 1 425 ? 0.881 8.757 40.308 1.00 43.51 ? 425 THR A C 1 ATOM 3400 O O . THR A 1 425 ? 0.226 9.016 41.321 1.00 45.30 ? 425 THR A O 1 ATOM 3401 C CB . THR A 1 425 ? 0.596 6.332 39.839 1.00 44.76 ? 425 THR A CB 1 ATOM 3402 O OG1 . THR A 1 425 ? -0.134 5.386 39.050 1.00 47.05 ? 425 THR A OG1 1 ATOM 3403 C CG2 . THR A 1 425 ? 0.135 6.235 41.285 1.00 46.24 ? 425 THR A CG2 1 ATOM 3404 N N . HIS A 1 426 ? 2.055 9.322 40.051 1.00 42.86 ? 426 HIS A N 1 ATOM 3405 C CA . HIS A 1 426 ? 2.714 10.247 41.005 1.00 41.79 ? 426 HIS A CA 1 ATOM 3406 C C . HIS A 1 426 ? 2.863 11.691 40.518 1.00 41.25 ? 426 HIS A C 1 ATOM 3407 O O . HIS A 1 426 ? 2.608 11.977 39.350 1.00 40.97 ? 426 HIS A O 1 ATOM 3408 C CB . HIS A 1 426 ? 4.078 9.727 41.413 1.00 41.73 ? 426 HIS A CB 1 ATOM 3409 C CG . HIS A 1 426 ? 3.954 8.260 41.842 1.00 43.00 ? 426 HIS A CG 1 ATOM 3410 N ND1 . HIS A 1 426 ? 3.524 7.872 43.094 1.00 42.82 ? 426 HIS A ND1 1 ATOM 3411 C CD2 . HIS A 1 426 ? 4.156 7.116 41.146 1.00 43.15 ? 426 HIS A CD2 1 ATOM 3412 C CE1 . HIS A 1 426 ? 3.462 6.554 43.149 1.00 43.51 ? 426 HIS A CE1 1 ATOM 3413 N NE2 . HIS A 1 426 ? 3.839 6.071 41.979 1.00 43.60 ? 426 HIS A NE2 1 ATOM 3414 N N . LYS A 1 427 ? 3.260 12.632 41.387 1.00 40.10 ? 427 LYS A N 1 ATOM 3415 C CA . LYS A 1 427 ? 3.255 14.066 41.012 1.00 39.85 ? 427 LYS A CA 1 ATOM 3416 C C . LYS A 1 427 ? 4.589 14.696 40.641 1.00 37.92 ? 427 LYS A C 1 ATOM 3417 O O . LYS A 1 427 ? 4.597 15.827 40.156 1.00 37.81 ? 427 LYS A O 1 ATOM 3418 C CB . LYS A 1 427 ? 2.628 14.894 42.133 1.00 42.07 ? 427 LYS A CB 1 ATOM 3419 C CG . LYS A 1 427 ? 1.269 14.418 42.589 1.00 43.92 ? 427 LYS A CG 1 ATOM 3420 C CD . LYS A 1 427 ? 0.933 15.023 43.939 1.00 46.66 ? 427 LYS A CD 1 ATOM 3421 C CE . LYS A 1 427 ? -0.472 14.649 44.385 1.00 47.64 ? 427 LYS A CE 1 ATOM 3422 N NZ . LYS A 1 427 ? -0.939 15.525 45.501 1.00 48.47 ? 427 LYS A NZ 1 ATOM 3423 N N . ILE A 1 428 ? 5.718 14.039 40.856 1.00 35.83 ? 428 ILE A N 1 ATOM 3424 C CA . ILE A 1 428 ? 6.996 14.679 40.590 1.00 33.68 ? 428 ILE A CA 1 ATOM 3425 C C . ILE A 1 428 ? 7.739 14.209 39.350 1.00 31.35 ? 428 ILE A C 1 ATOM 3426 O O . ILE A 1 428 ? 7.599 13.066 38.918 1.00 31.39 ? 428 ILE A O 1 ATOM 3427 C CB . ILE A 1 428 ? 7.921 14.513 41.815 1.00 34.86 ? 428 ILE A CB 1 ATOM 3428 C CG1 . ILE A 1 428 ? 8.330 13.047 41.969 1.00 35.64 ? 428 ILE A CG1 1 ATOM 3429 C CG2 . ILE A 1 428 ? 7.170 14.934 43.079 1.00 35.79 ? 428 ILE A CG2 1 ATOM 3430 C CD1 . ILE A 1 428 ? 9.428 12.809 42.987 1.00 36.73 ? 428 ILE A CD1 1 ATOM 3431 N N . HIS A 1 429 ? 8.503 15.121 38.761 1.00 29.45 ? 429 HIS A N 1 ATOM 3432 C CA . HIS A 1 429 ? 9.334 14.803 37.611 1.00 28.20 ? 429 HIS A CA 1 ATOM 3433 C C . HIS A 1 429 ? 10.651 14.379 38.263 1.00 27.38 ? 429 HIS A C 1 ATOM 3434 O O . HIS A 1 429 ? 11.657 15.084 38.163 1.00 27.82 ? 429 HIS A O 1 ATOM 3435 C CB . HIS A 1 429 ? 9.555 16.045 36.734 1.00 27.65 ? 429 HIS A CB 1 ATOM 3436 C CG . HIS A 1 429 ? 8.439 16.320 35.773 1.00 27.97 ? 429 HIS A CG 1 ATOM 3437 N ND1 . HIS A 1 429 ? 7.179 16.706 36.177 1.00 28.48 ? 429 HIS A ND1 1 ATOM 3438 C CD2 . HIS A 1 429 ? 8.392 16.242 34.421 1.00 27.96 ? 429 HIS A CD2 1 ATOM 3439 C CE1 . HIS A 1 429 ? 6.404 16.853 35.117 1.00 28.34 ? 429 HIS A CE1 1 ATOM 3440 N NE2 . HIS A 1 429 ? 7.115 16.577 34.039 1.00 27.69 ? 429 HIS A NE2 1 ATOM 3441 N N . GLY A 1 430 ? 10.640 13.233 38.946 1.00 25.15 ? 430 GLY A N 1 ATOM 3442 C CA . GLY A 1 430 ? 11.844 12.791 39.628 1.00 22.64 ? 430 GLY A CA 1 ATOM 3443 C C . GLY A 1 430 ? 12.201 11.315 39.624 1.00 21.03 ? 430 GLY A C 1 ATOM 3444 O O . GLY A 1 430 ? 13.013 10.887 40.447 1.00 19.97 ? 430 GLY A O 1 ATOM 3445 N N . PHE A 1 431 ? 11.628 10.534 38.711 1.00 18.83 ? 431 PHE A N 1 ATOM 3446 C CA . PHE A 1 431 ? 11.932 9.104 38.660 1.00 17.30 ? 431 PHE A CA 1 ATOM 3447 C C . PHE A 1 431 ? 13.132 8.790 37.769 1.00 16.19 ? 431 PHE A C 1 ATOM 3448 O O . PHE A 1 431 ? 13.617 9.649 37.032 1.00 16.24 ? 431 PHE A O 1 ATOM 3449 C CB . PHE A 1 431 ? 10.709 8.302 38.190 1.00 17.76 ? 431 PHE A CB 1 ATOM 3450 C CG . PHE A 1 431 ? 9.606 8.216 39.216 1.00 21.75 ? 431 PHE A CG 1 ATOM 3451 C CD1 . PHE A 1 431 ? 8.673 9.242 39.354 1.00 22.15 ? 431 PHE A CD1 1 ATOM 3452 C CD2 . PHE A 1 431 ? 9.520 7.117 40.068 1.00 21.02 ? 431 PHE A CD2 1 ATOM 3453 C CE1 . PHE A 1 431 ? 7.673 9.174 40.328 1.00 23.07 ? 431 PHE A CE1 1 ATOM 3454 C CE2 . PHE A 1 431 ? 8.528 7.041 41.039 1.00 22.39 ? 431 PHE A CE2 1 ATOM 3455 C CZ . PHE A 1 431 ? 7.602 8.072 41.170 1.00 22.08 ? 431 PHE A CZ 1 ATOM 3456 N N . ASP A 1 432 ? 13.598 7.546 37.846 1.00 14.69 ? 432 ASP A N 1 ATOM 3457 C CA . ASP A 1 432 ? 14.754 7.066 37.078 1.00 12.98 ? 432 ASP A CA 1 ATOM 3458 C C . ASP A 1 432 ? 14.361 5.832 36.251 1.00 12.75 ? 432 ASP A C 1 ATOM 3459 O O . ASP A 1 432 ? 14.161 4.749 36.803 1.00 12.05 ? 432 ASP A O 1 ATOM 3460 C CB . ASP A 1 432 ? 15.887 6.698 38.049 1.00 11.15 ? 432 ASP A CB 1 ATOM 3461 C CG . ASP A 1 432 ? 17.138 6.177 37.342 1.00 12.13 ? 432 ASP A CG 1 ATOM 3462 O OD1 . ASP A 1 432 ? 17.042 5.672 36.206 1.00 11.75 ? 432 ASP A OD1 1 ATOM 3463 O OD2 . ASP A 1 432 ? 18.231 6.255 37.937 1.00 11.09 ? 432 ASP A OD2 1 ATOM 3464 N N . LEU A 1 433 ? 14.257 5.986 34.934 1.00 12.25 ? 433 LEU A N 1 ATOM 3465 C CA . LEU A 1 433 ? 13.878 4.861 34.080 1.00 12.43 ? 433 LEU A CA 1 ATOM 3466 C C . LEU A 1 433 ? 14.899 3.721 34.097 1.00 11.72 ? 433 LEU A C 1 ATOM 3467 O O . LEU A 1 433 ? 14.524 2.556 33.989 1.00 14.50 ? 433 LEU A O 1 ATOM 3468 C CB . LEU A 1 433 ? 13.639 5.332 32.637 1.00 12.92 ? 433 LEU A CB 1 ATOM 3469 C CG . LEU A 1 433 ? 13.178 4.274 31.618 1.00 14.20 ? 433 LEU A CG 1 ATOM 3470 C CD1 . LEU A 1 433 ? 11.941 3.551 32.123 1.00 14.71 ? 433 LEU A CD1 1 ATOM 3471 C CD2 . LEU A 1 433 ? 12.878 4.939 30.279 1.00 15.21 ? 433 LEU A CD2 1 ATOM 3472 N N . ALA A 1 434 ? 16.180 4.048 34.236 1.00 10.42 ? 434 ALA A N 1 ATOM 3473 C CA . ALA A 1 434 ? 17.222 3.018 34.264 1.00 11.33 ? 434 ALA A CA 1 ATOM 3474 C C . ALA A 1 434 ? 17.123 2.170 35.530 1.00 10.12 ? 434 ALA A C 1 ATOM 3475 O O . ALA A 1 434 ? 17.234 0.943 35.476 1.00 9.01 ? 434 ALA A O 1 ATOM 3476 C CB . ALA A 1 434 ? 18.618 3.659 34.158 1.00 8.07 ? 434 ALA A CB 1 ATOM 3477 N N . ALA A 1 435 ? 16.920 2.828 36.668 1.00 10.10 ? 435 ALA A N 1 ATOM 3478 C CA . ALA A 1 435 ? 16.781 2.123 37.935 1.00 10.93 ? 435 ALA A CA 1 ATOM 3479 C C . ALA A 1 435 ? 15.498 1.291 37.906 1.00 11.99 ? 435 ALA A C 1 ATOM 3480 O O . ALA A 1 435 ? 15.456 0.179 38.440 1.00 13.15 ? 435 ALA A O 1 ATOM 3481 C CB . ALA A 1 435 ? 16.737 3.114 39.095 1.00 10.52 ? 435 ALA A CB 1 ATOM 3482 N N . ILE A 1 436 ? 14.449 1.834 37.293 1.00 12.24 ? 436 ILE A N 1 ATOM 3483 C CA . ILE A 1 436 ? 13.186 1.104 37.192 1.00 14.19 ? 436 ILE A CA 1 ATOM 3484 C C . ILE A 1 436 ? 13.372 -0.159 36.322 1.00 13.78 ? 436 ILE A C 1 ATOM 3485 O O . ILE A 1 436 ? 12.864 -1.224 36.668 1.00 12.83 ? 436 ILE A O 1 ATOM 3486 C CB . ILE A 1 436 ? 12.043 1.998 36.600 1.00 16.57 ? 436 ILE A CB 1 ATOM 3487 C CG1 . ILE A 1 436 ? 11.578 3.048 37.624 1.00 16.58 ? 436 ILE A CG1 1 ATOM 3488 C CG2 . ILE A 1 436 ? 10.864 1.133 36.194 1.00 14.34 ? 436 ILE A CG2 1 ATOM 3489 C CD1 . ILE A 1 436 ? 10.876 2.479 38.843 1.00 26.15 ? 436 ILE A CD1 1 ATOM 3490 N N . ASN A 1 437 ? 14.107 -0.040 35.212 1.00 13.14 ? 437 ASN A N 1 ATOM 3491 C CA . ASN A 1 437 ? 14.377 -1.175 34.323 1.00 12.49 ? 437 ASN A CA 1 ATOM 3492 C C . ASN A 1 437 ? 15.081 -2.300 35.083 1.00 13.34 ? 437 ASN A C 1 ATOM 3493 O O . ASN A 1 437 ? 14.701 -3.471 34.977 1.00 16.04 ? 437 ASN A O 1 ATOM 3494 C CB . ASN A 1 437 ? 15.281 -0.755 33.120 1.00 10.91 ? 437 ASN A CB 1 ATOM 3495 C CG . ASN A 1 437 ? 14.661 -0.029 31.908 1.00 12.44 ? 437 ASN A CG 1 ATOM 3496 O OD1 . ASN A 1 437 ? 15.385 0.513 31.080 1.00 12.70 ? 437 ASN A OD1 1 ATOM 3497 N ND2 . ASN A 1 437 ? 13.333 -0.018 31.824 1.00 9.72 ? 437 ASN A ND2 1 ATOM 3498 N N . LEU A 1 438 ? 16.094 -1.945 35.867 1.00 14.93 ? 438 LEU A N 1 ATOM 3499 C CA . LEU A 1 438 ? 16.850 -2.933 36.632 1.00 14.92 ? 438 LEU A CA 1 ATOM 3500 C C . LEU A 1 438 ? 15.969 -3.583 37.699 1.00 15.90 ? 438 LEU A C 1 ATOM 3501 O O . LEU A 1 438 ? 15.940 -4.812 37.837 1.00 13.75 ? 438 LEU A O 1 ATOM 3502 C CB . LEU A 1 438 ? 18.070 -2.275 37.287 1.00 13.50 ? 438 LEU A CB 1 ATOM 3503 C CG . LEU A 1 438 ? 19.174 -1.795 36.340 1.00 13.03 ? 438 LEU A CG 1 ATOM 3504 C CD1 . LEU A 1 438 ? 20.169 -0.952 37.107 1.00 13.11 ? 438 LEU A CD1 1 ATOM 3505 C CD2 . LEU A 1 438 ? 19.870 -2.987 35.709 1.00 13.61 ? 438 LEU A CD2 1 ATOM 3506 N N . GLN A 1 439 ? 15.251 -2.755 38.451 1.00 15.59 ? 439 GLN A N 1 ATOM 3507 C CA . GLN A 1 439 ? 14.365 -3.263 39.487 1.00 15.69 ? 439 GLN A CA 1 ATOM 3508 C C . GLN A 1 439 ? 13.308 -4.192 38.858 1.00 14.63 ? 439 GLN A C 1 ATOM 3509 O O . GLN A 1 439 ? 12.938 -5.210 39.448 1.00 13.57 ? 439 GLN A O 1 ATOM 3510 C CB . GLN A 1 439 ? 13.678 -2.097 40.219 1.00 15.81 ? 439 GLN A CB 1 ATOM 3511 C CG . GLN A 1 439 ? 12.908 -2.511 41.485 1.00 17.41 ? 439 GLN A CG 1 ATOM 3512 C CD . GLN A 1 439 ? 13.782 -2.536 42.739 1.00 19.27 ? 439 GLN A CD 1 ATOM 3513 O OE1 . GLN A 1 439 ? 14.993 -2.730 42.658 1.00 17.87 ? 439 GLN A OE1 1 ATOM 3514 N NE2 . GLN A 1 439 ? 13.161 -2.350 43.905 1.00 19.60 ? 439 GLN A NE2 1 ATOM 3515 N N . ARG A 1 440 ? 12.838 -3.849 37.658 1.00 12.75 ? 440 ARG A N 1 ATOM 3516 C CA . ARG A 1 440 ? 11.821 -4.647 36.974 1.00 11.53 ? 440 ARG A CA 1 ATOM 3517 C C . ARG A 1 440 ? 12.370 -6.001 36.501 1.00 12.58 ? 440 ARG A C 1 ATOM 3518 O O . ARG A 1 440 ? 11.627 -6.986 36.416 1.00 12.80 ? 440 ARG A O 1 ATOM 3519 C CB . ARG A 1 440 ? 11.240 -3.859 35.794 1.00 10.96 ? 440 ARG A CB 1 ATOM 3520 C CG . ARG A 1 440 ? 9.987 -4.482 35.164 1.00 12.83 ? 440 ARG A CG 1 ATOM 3521 C CD . ARG A 1 440 ? 8.759 -4.359 36.083 1.00 10.95 ? 440 ARG A CD 1 ATOM 3522 N NE . ARG A 1 440 ? 8.257 -2.988 36.155 1.00 8.64 ? 440 ARG A NE 1 ATOM 3523 C CZ . ARG A 1 440 ? 7.368 -2.564 37.049 1.00 8.36 ? 440 ARG A CZ 1 ATOM 3524 N NH1 . ARG A 1 440 ? 6.885 -3.409 37.947 1.00 8.55 ? 440 ARG A NH1 1 ATOM 3525 N NH2 . ARG A 1 440 ? 6.962 -1.300 37.053 1.00 8.38 ? 440 ARG A NH2 1 ATOM 3526 N N . CYS A 1 441 ? 13.666 -6.048 36.190 1.00 13.15 ? 441 CYS A N 1 ATOM 3527 C CA . CYS A 1 441 ? 14.314 -7.292 35.764 1.00 12.20 ? 441 CYS A CA 1 ATOM 3528 C C . CYS A 1 441 ? 14.183 -8.305 36.891 1.00 12.18 ? 441 CYS A C 1 ATOM 3529 O O . CYS A 1 441 ? 13.847 -9.465 36.671 1.00 12.45 ? 441 CYS A O 1 ATOM 3530 C CB . CYS A 1 441 ? 15.813 -7.076 35.491 1.00 14.38 ? 441 CYS A CB 1 ATOM 3531 S SG . CYS A 1 441 ? 16.264 -6.312 33.900 1.00 15.49 ? 441 CYS A SG 1 ATOM 3532 N N . ARG A 1 442 ? 14.459 -7.842 38.103 1.00 12.23 ? 442 ARG A N 1 ATOM 3533 C CA . ARG A 1 442 ? 14.405 -8.682 39.289 1.00 13.58 ? 442 ARG A CA 1 ATOM 3534 C C . ARG A 1 442 ? 12.965 -9.077 39.605 1.00 13.70 ? 442 ARG A C 1 ATOM 3535 O O . ARG A 1 442 ? 12.685 -10.230 39.935 1.00 14.29 ? 442 ARG A O 1 ATOM 3536 C CB . ARG A 1 442 ? 15.068 -7.935 40.448 1.00 12.76 ? 442 ARG A CB 1 ATOM 3537 C CG . ARG A 1 442 ? 16.547 -7.678 40.173 1.00 10.83 ? 442 ARG A CG 1 ATOM 3538 C CD . ARG A 1 442 ? 17.164 -6.685 41.125 1.00 13.41 ? 442 ARG A CD 1 ATOM 3539 N NE . ARG A 1 442 ? 18.530 -6.343 40.734 1.00 13.82 ? 442 ARG A NE 1 ATOM 3540 C CZ . ARG A 1 442 ? 19.288 -5.447 41.362 1.00 15.43 ? 442 ARG A CZ 1 ATOM 3541 N NH1 . ARG A 1 442 ? 18.811 -4.800 42.414 1.00 13.77 ? 442 ARG A NH1 1 ATOM 3542 N NH2 . ARG A 1 442 ? 20.527 -5.199 40.945 1.00 16.63 ? 442 ARG A NH2 1 ATOM 3543 N N . ASP A 1 443 ? 12.058 -8.112 39.474 1.00 15.06 ? 443 ASP A N 1 ATOM 3544 C CA . ASP A 1 443 ? 10.627 -8.317 39.692 1.00 15.23 ? 443 ASP A CA 1 ATOM 3545 C C . ASP A 1 443 ? 10.131 -9.440 38.769 1.00 15.23 ? 443 ASP A C 1 ATOM 3546 O O . ASP A 1 443 ? 9.362 -10.311 39.188 1.00 14.41 ? 443 ASP A O 1 ATOM 3547 C CB . ASP A 1 443 ? 9.885 -6.995 39.413 1.00 14.47 ? 443 ASP A CB 1 ATOM 3548 C CG . ASP A 1 443 ? 8.364 -7.136 39.436 1.00 17.95 ? 443 ASP A CG 1 ATOM 3549 O OD1 . ASP A 1 443 ? 7.831 -8.057 40.098 1.00 19.05 ? 443 ASP A OD1 1 ATOM 3550 O OD2 . ASP A 1 443 ? 7.695 -6.295 38.797 1.00 17.13 ? 443 ASP A OD2 1 ATOM 3551 N N . HIS A 1 444 ? 10.611 -9.437 37.527 1.00 13.02 ? 444 HIS A N 1 ATOM 3552 C CA . HIS A 1 444 ? 10.217 -10.444 36.549 1.00 12.19 ? 444 HIS A CA 1 ATOM 3553 C C . HIS A 1 444 ? 10.962 -11.781 36.637 1.00 11.92 ? 444 HIS A C 1 ATOM 3554 O O . HIS A 1 444 ? 10.710 -12.677 35.843 1.00 11.75 ? 444 HIS A O 1 ATOM 3555 C CB . HIS A 1 444 ? 10.346 -9.871 35.135 1.00 12.68 ? 444 HIS A CB 1 ATOM 3556 C CG . HIS A 1 444 ? 9.213 -8.972 34.738 1.00 13.33 ? 444 HIS A CG 1 ATOM 3557 N ND1 . HIS A 1 444 ? 8.504 -9.148 33.569 1.00 14.95 ? 444 HIS A ND1 1 ATOM 3558 C CD2 . HIS A 1 444 ? 8.676 -7.884 35.342 1.00 13.65 ? 444 HIS A CD2 1 ATOM 3559 C CE1 . HIS A 1 444 ? 7.581 -8.207 33.468 1.00 12.76 ? 444 HIS A CE1 1 ATOM 3560 N NE2 . HIS A 1 444 ? 7.664 -7.427 34.531 1.00 13.21 ? 444 HIS A NE2 1 ATOM 3561 N N . GLY A 1 445 ? 11.873 -11.922 37.594 1.00 11.62 ? 445 GLY A N 1 ATOM 3562 C CA . GLY A 1 445 ? 12.593 -13.174 37.745 1.00 10.11 ? 445 GLY A CA 1 ATOM 3563 C C . GLY A 1 445 ? 13.574 -13.488 36.638 1.00 12.75 ? 445 GLY A C 1 ATOM 3564 O O . GLY A 1 445 ? 13.731 -14.647 36.246 1.00 14.56 ? 445 GLY A O 1 ATOM 3565 N N . MET A 1 446 ? 14.259 -12.467 36.145 1.00 11.77 ? 446 MET A N 1 ATOM 3566 C CA . MET A 1 446 ? 15.209 -12.667 35.068 1.00 12.73 ? 446 MET A CA 1 ATOM 3567 C C . MET A 1 446 ? 16.497 -13.408 35.425 1.00 13.38 ? 446 MET A C 1 ATOM 3568 O O . MET A 1 446 ? 17.112 -13.165 36.471 1.00 12.98 ? 446 MET A O 1 ATOM 3569 C CB . MET A 1 446 ? 15.617 -11.310 34.449 1.00 14.47 ? 446 MET A CB 1 ATOM 3570 C CG . MET A 1 446 ? 14.601 -10.672 33.496 1.00 13.11 ? 446 MET A CG 1 ATOM 3571 S SD . MET A 1 446 ? 14.181 -11.726 32.081 1.00 17.17 ? 446 MET A SD 1 ATOM 3572 C CE . MET A 1 446 ? 12.639 -12.396 32.630 1.00 13.79 ? 446 MET A CE 1 ATOM 3573 N N . PRO A 1 447 ? 16.878 -14.384 34.589 1.00 12.45 ? 447 PRO A N 1 ATOM 3574 C CA . PRO A 1 447 ? 18.131 -15.089 34.859 1.00 11.52 ? 447 PRO A CA 1 ATOM 3575 C C . PRO A 1 447 ? 19.200 -13.997 34.588 1.00 12.84 ? 447 PRO A C 1 ATOM 3576 O O . PRO A 1 447 ? 18.913 -12.993 33.914 1.00 10.04 ? 447 PRO A O 1 ATOM 3577 C CB . PRO A 1 447 ? 18.148 -16.162 33.784 1.00 11.87 ? 447 PRO A CB 1 ATOM 3578 C CG . PRO A 1 447 ? 16.691 -16.515 33.656 1.00 12.39 ? 447 PRO A CG 1 ATOM 3579 C CD . PRO A 1 447 ? 16.014 -15.166 33.677 1.00 10.98 ? 447 PRO A CD 1 ATOM 3580 N N . GLY A 1 448 ? 20.417 -14.195 35.086 1.00 13.33 ? 448 GLY A N 1 ATOM 3581 C CA . GLY A 1 448 ? 21.464 -13.205 34.894 1.00 12.57 ? 448 GLY A CA 1 ATOM 3582 C C . GLY A 1 448 ? 22.078 -13.174 33.509 1.00 13.10 ? 448 GLY A C 1 ATOM 3583 O O . GLY A 1 448 ? 21.707 -13.951 32.635 1.00 13.78 ? 448 GLY A O 1 ATOM 3584 N N . TYR A 1 449 ? 23.043 -12.276 33.332 1.00 12.26 ? 449 TYR A N 1 ATOM 3585 C CA . TYR A 1 449 ? 23.745 -12.066 32.069 1.00 12.56 ? 449 TYR A CA 1 ATOM 3586 C C . TYR A 1 449 ? 24.398 -13.306 31.442 1.00 13.40 ? 449 TYR A C 1 ATOM 3587 O O . TYR A 1 449 ? 24.193 -13.582 30.257 1.00 12.27 ? 449 TYR A O 1 ATOM 3588 C CB . TYR A 1 449 ? 24.791 -10.951 32.275 1.00 12.70 ? 449 TYR A CB 1 ATOM 3589 C CG . TYR A 1 449 ? 25.716 -10.663 31.104 1.00 13.41 ? 449 TYR A CG 1 ATOM 3590 C CD1 . TYR A 1 449 ? 25.234 -10.084 29.926 1.00 14.52 ? 449 TYR A CD1 1 ATOM 3591 C CD2 . TYR A 1 449 ? 27.080 -10.951 31.183 1.00 12.09 ? 449 TYR A CD2 1 ATOM 3592 C CE1 . TYR A 1 449 ? 26.088 -9.799 28.858 1.00 12.79 ? 449 TYR A CE1 1 ATOM 3593 C CE2 . TYR A 1 449 ? 27.942 -10.670 30.123 1.00 12.34 ? 449 TYR A CE2 1 ATOM 3594 C CZ . TYR A 1 449 ? 27.438 -10.094 28.962 1.00 14.58 ? 449 TYR A CZ 1 ATOM 3595 O OH . TYR A 1 449 ? 28.281 -9.821 27.905 1.00 13.73 ? 449 TYR A OH 1 ATOM 3596 N N . ASN A 1 450 ? 25.188 -14.051 32.215 1.00 15.93 ? 450 ASN A N 1 ATOM 3597 C CA . ASN A 1 450 ? 25.851 -15.238 31.667 1.00 18.15 ? 450 ASN A CA 1 ATOM 3598 C C . ASN A 1 450 ? 24.906 -16.372 31.288 1.00 18.63 ? 450 ASN A C 1 ATOM 3599 O O . ASN A 1 450 ? 25.217 -17.206 30.430 1.00 20.50 ? 450 ASN A O 1 ATOM 3600 C CB . ASN A 1 450 ? 26.920 -15.759 32.629 1.00 17.72 ? 450 ASN A CB 1 ATOM 3601 C CG . ASN A 1 450 ? 28.256 -15.071 32.430 1.00 18.43 ? 450 ASN A CG 1 ATOM 3602 O OD1 . ASN A 1 450 ? 28.515 -14.509 31.366 1.00 18.62 ? 450 ASN A OD1 1 ATOM 3603 N ND2 . ASN A 1 450 ? 29.115 -15.121 33.444 1.00 17.27 ? 450 ASN A ND2 1 ATOM 3604 N N . SER A 1 451 ? 23.752 -16.400 31.935 1.00 18.56 ? 451 SER A N 1 ATOM 3605 C CA . SER A 1 451 ? 22.752 -17.402 31.652 1.00 18.88 ? 451 SER A CA 1 ATOM 3606 C C . SER A 1 451 ? 22.193 -17.122 30.263 1.00 17.42 ? 451 SER A C 1 ATOM 3607 O O . SER A 1 451 ? 21.922 -18.043 29.499 1.00 17.90 ? 451 SER A O 1 ATOM 3608 C CB . SER A 1 451 ? 21.654 -17.326 32.708 1.00 18.20 ? 451 SER A CB 1 ATOM 3609 O OG . SER A 1 451 ? 21.398 -18.600 33.251 1.00 26.19 ? 451 SER A OG 1 ATOM 3610 N N . TRP A 1 452 ? 22.026 -15.847 29.926 1.00 14.58 ? 452 TRP A N 1 ATOM 3611 C CA . TRP A 1 452 ? 21.520 -15.505 28.608 1.00 13.13 ? 452 TRP A CA 1 ATOM 3612 C C . TRP A 1 452 ? 22.621 -15.598 27.551 1.00 13.27 ? 452 TRP A C 1 ATOM 3613 O O . TRP A 1 452 ? 22.328 -15.872 26.394 1.00 14.34 ? 452 TRP A O 1 ATOM 3614 C CB . TRP A 1 452 ? 20.852 -14.125 28.625 1.00 12.78 ? 452 TRP A CB 1 ATOM 3615 C CG . TRP A 1 452 ? 19.524 -14.174 29.358 1.00 10.78 ? 452 TRP A CG 1 ATOM 3616 C CD1 . TRP A 1 452 ? 19.214 -13.591 30.561 1.00 9.67 ? 452 TRP A CD1 1 ATOM 3617 C CD2 . TRP A 1 452 ? 18.352 -14.900 28.952 1.00 9.26 ? 452 TRP A CD2 1 ATOM 3618 N NE1 . TRP A 1 452 ? 17.923 -13.913 30.924 1.00 11.07 ? 452 TRP A NE1 1 ATOM 3619 C CE2 . TRP A 1 452 ? 17.373 -14.716 29.957 1.00 8.72 ? 452 TRP A CE2 1 ATOM 3620 C CE3 . TRP A 1 452 ? 18.038 -15.696 27.838 1.00 9.63 ? 452 TRP A CE3 1 ATOM 3621 C CZ2 . TRP A 1 452 ? 16.095 -15.294 29.878 1.00 7.83 ? 452 TRP A CZ2 1 ATOM 3622 C CZ3 . TRP A 1 452 ? 16.771 -16.271 27.759 1.00 7.59 ? 452 TRP A CZ3 1 ATOM 3623 C CH2 . TRP A 1 452 ? 15.815 -16.066 28.777 1.00 9.30 ? 452 TRP A CH2 1 ATOM 3624 N N . ARG A 1 453 ? 23.880 -15.391 27.943 1.00 12.53 ? 453 ARG A N 1 ATOM 3625 C CA . ARG A 1 453 ? 24.994 -15.538 27.010 1.00 12.46 ? 453 ARG A CA 1 ATOM 3626 C C . ARG A 1 453 ? 25.023 -17.016 26.581 1.00 13.36 ? 453 ARG A C 1 ATOM 3627 O O . ARG A 1 453 ? 25.152 -17.324 25.398 1.00 13.19 ? 453 ARG A O 1 ATOM 3628 C CB . ARG A 1 453 ? 26.330 -15.174 27.680 1.00 13.16 ? 453 ARG A CB 1 ATOM 3629 C CG . ARG A 1 453 ? 26.565 -13.678 27.896 1.00 13.06 ? 453 ARG A CG 1 ATOM 3630 C CD . ARG A 1 453 ? 26.997 -12.949 26.616 1.00 14.89 ? 453 ARG A CD 1 ATOM 3631 N NE . ARG A 1 453 ? 28.369 -13.273 26.210 1.00 15.87 ? 453 ARG A NE 1 ATOM 3632 C CZ . ARG A 1 453 ? 29.014 -12.673 25.212 1.00 16.04 ? 453 ARG A CZ 1 ATOM 3633 N NH1 . ARG A 1 453 ? 28.420 -11.718 24.509 1.00 15.13 ? 453 ARG A NH1 1 ATOM 3634 N NH2 . ARG A 1 453 ? 30.259 -13.020 24.918 1.00 17.94 ? 453 ARG A NH2 1 ATOM 3635 N N . GLY A 1 454 ? 24.891 -17.922 27.551 1.00 14.07 ? 454 GLY A N 1 ATOM 3636 C CA . GLY A 1 454 ? 24.899 -19.346 27.252 1.00 14.38 ? 454 GLY A CA 1 ATOM 3637 C C . GLY A 1 454 ? 23.781 -19.724 26.297 1.00 16.20 ? 454 GLY A C 1 ATOM 3638 O O . GLY A 1 454 ? 24.008 -20.399 25.298 1.00 16.62 ? 454 GLY A O 1 ATOM 3639 N N . PHE A 1 455 ? 22.571 -19.275 26.616 1.00 15.73 ? 455 PHE A N 1 ATOM 3640 C CA . PHE A 1 455 ? 21.380 -19.514 25.803 1.00 16.06 ? 455 PHE A CA 1 ATOM 3641 C C . PHE A 1 455 ? 21.602 -19.168 24.331 1.00 16.11 ? 455 PHE A C 1 ATOM 3642 O O . PHE A 1 455 ? 21.092 -19.836 23.439 1.00 14.78 ? 455 PHE A O 1 ATOM 3643 C CB . PHE A 1 455 ? 20.231 -18.665 26.343 1.00 15.63 ? 455 PHE A CB 1 ATOM 3644 C CG . PHE A 1 455 ? 18.973 -18.745 25.530 1.00 14.81 ? 455 PHE A CG 1 ATOM 3645 C CD1 . PHE A 1 455 ? 18.085 -19.797 25.700 1.00 17.44 ? 455 PHE A CD1 1 ATOM 3646 C CD2 . PHE A 1 455 ? 18.654 -17.740 24.627 1.00 15.95 ? 455 PHE A CD2 1 ATOM 3647 C CE1 . PHE A 1 455 ? 16.887 -19.846 24.983 1.00 16.34 ? 455 PHE A CE1 1 ATOM 3648 C CE2 . PHE A 1 455 ? 17.460 -17.779 23.904 1.00 16.23 ? 455 PHE A CE2 1 ATOM 3649 C CZ . PHE A 1 455 ? 16.575 -18.834 24.085 1.00 16.56 ? 455 PHE A CZ 1 ATOM 3650 N N . CYS A 1 456 ? 22.361 -18.107 24.098 1.00 16.97 ? 456 CYS A N 1 ATOM 3651 C CA . CYS A 1 456 ? 22.653 -17.642 22.757 1.00 16.78 ? 456 CYS A CA 1 ATOM 3652 C C . CYS A 1 456 ? 23.944 -18.238 22.211 1.00 18.89 ? 456 CYS A C 1 ATOM 3653 O O . CYS A 1 456 ? 24.350 -17.925 21.099 1.00 19.96 ? 456 CYS A O 1 ATOM 3654 C CB . CYS A 1 456 ? 22.720 -16.116 22.760 1.00 16.65 ? 456 CYS A CB 1 ATOM 3655 S SG . CYS A 1 456 ? 21.069 -15.334 22.870 1.00 16.34 ? 456 CYS A SG 1 ATOM 3656 N N . GLY A 1 457 ? 24.590 -19.096 22.999 1.00 19.96 ? 457 GLY A N 1 ATOM 3657 C CA . GLY A 1 457 ? 25.814 -19.733 22.551 1.00 20.23 ? 457 GLY A CA 1 ATOM 3658 C C . GLY A 1 457 ? 27.015 -18.815 22.443 1.00 21.42 ? 457 GLY A C 1 ATOM 3659 O O . GLY A 1 457 ? 27.833 -18.956 21.533 1.00 21.16 ? 457 GLY A O 1 ATOM 3660 N N . LEU A 1 458 ? 27.119 -17.866 23.366 1.00 20.08 ? 458 LEU A N 1 ATOM 3661 C CA . LEU A 1 458 ? 28.238 -16.935 23.378 1.00 19.53 ? 458 LEU A CA 1 ATOM 3662 C C . LEU A 1 458 ? 29.006 -17.258 24.644 1.00 19.98 ? 458 LEU A C 1 ATOM 3663 O O . LEU A 1 458 ? 28.451 -17.848 25.567 1.00 19.93 ? 458 LEU A O 1 ATOM 3664 C CB . LEU A 1 458 ? 27.744 -15.486 23.437 1.00 17.17 ? 458 LEU A CB 1 ATOM 3665 C CG . LEU A 1 458 ? 26.715 -15.060 22.384 1.00 17.50 ? 458 LEU A CG 1 ATOM 3666 C CD1 . LEU A 1 458 ? 26.060 -13.756 22.818 1.00 14.49 ? 458 LEU A CD1 1 ATOM 3667 C CD2 . LEU A 1 458 ? 27.368 -14.926 21.013 1.00 15.37 ? 458 LEU A CD2 1 ATOM 3668 N N . SER A 1 459 ? 30.273 -16.867 24.690 1.00 20.38 ? 459 SER A N 1 ATOM 3669 C CA . SER A 1 459 ? 31.104 -17.122 25.857 1.00 22.10 ? 459 SER A CA 1 ATOM 3670 C C . SER A 1 459 ? 30.507 -16.499 27.110 1.00 21.65 ? 459 SER A C 1 ATOM 3671 O O . SER A 1 459 ? 29.730 -15.550 27.037 1.00 23.87 ? 459 SER A O 1 ATOM 3672 C CB . SER A 1 459 ? 32.496 -16.552 25.635 1.00 22.09 ? 459 SER A CB 1 ATOM 3673 O OG . SER A 1 459 ? 32.402 -15.161 25.405 1.00 27.69 ? 459 SER A OG 1 ATOM 3674 N N . GLN A 1 460 ? 30.903 -17.032 28.261 1.00 23.28 ? 460 GLN A N 1 ATOM 3675 C CA . GLN A 1 460 ? 30.420 -16.566 29.550 1.00 23.10 ? 460 GLN A CA 1 ATOM 3676 C C . GLN A 1 460 ? 31.609 -16.167 30.419 1.00 24.23 ? 460 GLN A C 1 ATOM 3677 O O . GLN A 1 460 ? 32.207 -17.010 31.085 1.00 25.26 ? 460 GLN A O 1 ATOM 3678 C CB . GLN A 1 460 ? 29.616 -17.684 30.222 1.00 23.74 ? 460 GLN A CB 1 ATOM 3679 C CG . GLN A 1 460 ? 28.467 -18.207 29.355 1.00 24.51 ? 460 GLN A CG 1 ATOM 3680 C CD . GLN A 1 460 ? 27.823 -19.468 29.903 1.00 27.36 ? 460 GLN A CD 1 ATOM 3681 O OE1 . GLN A 1 460 ? 27.207 -19.459 30.974 1.00 28.31 ? 460 GLN A OE1 1 ATOM 3682 N NE2 . GLN A 1 460 ? 27.964 -20.565 29.166 1.00 26.86 ? 460 GLN A NE2 1 ATOM 3683 N N . PRO A 1 461 ? 31.970 -14.869 30.416 1.00 24.72 ? 461 PRO A N 1 ATOM 3684 C CA . PRO A 1 461 ? 33.100 -14.372 31.213 1.00 24.82 ? 461 PRO A CA 1 ATOM 3685 C C . PRO A 1 461 ? 32.900 -14.566 32.716 1.00 25.25 ? 461 PRO A C 1 ATOM 3686 O O . PRO A 1 461 ? 31.819 -14.311 33.250 1.00 22.98 ? 461 PRO A O 1 ATOM 3687 C CB . PRO A 1 461 ? 33.179 -12.894 30.820 1.00 24.65 ? 461 PRO A CB 1 ATOM 3688 C CG . PRO A 1 461 ? 31.742 -12.549 30.538 1.00 25.33 ? 461 PRO A CG 1 ATOM 3689 C CD . PRO A 1 461 ? 31.270 -13.757 29.745 1.00 23.43 ? 461 PRO A CD 1 ATOM 3690 N N . LYS A 1 462 ? 33.952 -15.012 33.396 1.00 27.03 ? 462 LYS A N 1 ATOM 3691 C CA . LYS A 1 462 ? 33.883 -15.255 34.834 1.00 28.40 ? 462 LYS A CA 1 ATOM 3692 C C . LYS A 1 462 ? 34.790 -14.320 35.614 1.00 28.05 ? 462 LYS A C 1 ATOM 3693 O O . LYS A 1 462 ? 34.652 -14.185 36.829 1.00 27.27 ? 462 LYS A O 1 ATOM 3694 C CB . LYS A 1 462 ? 34.270 -16.704 35.137 1.00 30.30 ? 462 LYS A CB 1 ATOM 3695 C CG . LYS A 1 462 ? 33.360 -17.730 34.483 1.00 32.78 ? 462 LYS A CG 1 ATOM 3696 C CD . LYS A 1 462 ? 32.017 -17.820 35.190 1.00 33.41 ? 462 LYS A CD 1 ATOM 3697 C CE . LYS A 1 462 ? 30.999 -18.551 34.322 1.00 35.72 ? 462 LYS A CE 1 ATOM 3698 N NZ . LYS A 1 462 ? 29.682 -18.734 34.998 1.00 36.55 ? 462 LYS A NZ 1 ATOM 3699 N N . THR A 1 463 ? 35.700 -13.660 34.905 1.00 26.63 ? 463 THR A N 1 ATOM 3700 C CA . THR A 1 463 ? 36.654 -12.760 35.536 1.00 26.25 ? 463 THR A CA 1 ATOM 3701 C C . THR A 1 463 ? 36.601 -11.344 34.977 1.00 25.76 ? 463 THR A C 1 ATOM 3702 O O . THR A 1 463 ? 36.001 -11.103 33.932 1.00 25.50 ? 463 THR A O 1 ATOM 3703 C CB . THR A 1 463 ? 38.085 -13.291 35.349 1.00 25.01 ? 463 THR A CB 1 ATOM 3704 O OG1 . THR A 1 463 ? 38.383 -13.355 33.950 1.00 24.76 ? 463 THR A OG1 1 ATOM 3705 C CG2 . THR A 1 463 ? 38.217 -14.687 35.938 1.00 26.53 ? 463 THR A CG2 1 ATOM 3706 N N . LEU A 1 464 ? 37.245 -10.419 35.687 1.00 25.70 ? 464 LEU A N 1 ATOM 3707 C CA . LEU A 1 464 ? 37.325 -9.018 35.286 1.00 26.33 ? 464 LEU A CA 1 ATOM 3708 C C . LEU A 1 464 ? 37.863 -8.976 33.854 1.00 26.62 ? 464 LEU A C 1 ATOM 3709 O O . LEU A 1 464 ? 37.270 -8.349 32.976 1.00 27.10 ? 464 LEU A O 1 ATOM 3710 C CB . LEU A 1 464 ? 38.295 -8.265 36.214 1.00 25.94 ? 464 LEU A CB 1 ATOM 3711 C CG . LEU A 1 464 ? 38.249 -6.749 36.476 1.00 26.88 ? 464 LEU A CG 1 ATOM 3712 C CD1 . LEU A 1 464 ? 39.681 -6.230 36.550 1.00 25.01 ? 464 LEU A CD1 1 ATOM 3713 C CD2 . LEU A 1 464 ? 37.479 -6.011 35.400 1.00 26.00 ? 464 LEU A CD2 1 ATOM 3714 N N . LYS A 1 465 ? 38.975 -9.674 33.625 1.00 26.30 ? 465 LYS A N 1 ATOM 3715 C CA . LYS A 1 465 ? 39.623 -9.699 32.315 1.00 27.18 ? 465 LYS A CA 1 ATOM 3716 C C . LYS A 1 465 ? 38.781 -10.385 31.248 1.00 24.94 ? 465 LYS A C 1 ATOM 3717 O O . LYS A 1 465 ? 38.896 -10.069 30.069 1.00 24.43 ? 465 LYS A O 1 ATOM 3718 C CB . LYS A 1 465 ? 41.001 -10.371 32.427 1.00 31.09 ? 465 LYS A CB 1 ATOM 3719 C CG . LYS A 1 465 ? 41.891 -10.309 31.170 1.00 36.17 ? 465 LYS A CG 1 ATOM 3720 C CD . LYS A 1 465 ? 42.362 -8.884 30.840 1.00 40.26 ? 465 LYS A CD 1 ATOM 3721 C CE . LYS A 1 465 ? 43.763 -8.873 30.224 1.00 42.21 ? 465 LYS A CE 1 ATOM 3722 N NZ . LYS A 1 465 ? 44.782 -9.436 31.175 1.00 45.12 ? 465 LYS A NZ 1 ATOM 3723 N N . GLY A 1 466 ? 37.914 -11.271 31.715 1.00 24.32 ? 466 GLY A N 1 ATOM 3724 C CA . GLY A 1 466 ? 36.961 -11.992 30.841 1.00 21.17 ? 466 GLY A CA 1 ATOM 3725 C C . GLY A 1 466 ? 35.968 -10.958 30.245 1.00 19.74 ? 466 GLY A C 1 ATOM 3726 O O . GLY A 1 466 ? 35.889 -10.781 29.030 1.00 18.30 ? 466 GLY A O 1 ATOM 3727 N N . LEU A 1 467 ? 35.202 -10.262 31.130 1.00 18.39 ? 467 LEU A N 1 ATOM 3728 C CA . LEU A 1 467 ? 34.222 -9.163 30.838 1.00 19.68 ? 467 LEU A CA 1 ATOM 3729 C C . LEU A 1 467 ? 34.869 -8.088 29.901 1.00 19.56 ? 467 LEU A C 1 ATOM 3730 O O . LEU A 1 467 ? 34.301 -7.702 28.863 1.00 17.69 ? 467 LEU A O 1 ATOM 3731 C CB . LEU A 1 467 ? 33.778 -8.570 32.186 1.00 19.02 ? 467 LEU A CB 1 ATOM 3732 C CG . LEU A 1 467 ? 32.442 -7.806 32.274 1.00 20.59 ? 467 LEU A CG 1 ATOM 3733 C CD1 . LEU A 1 467 ? 31.307 -8.658 31.736 1.00 19.04 ? 467 LEU A CD1 1 ATOM 3734 C CD2 . LEU A 1 467 ? 32.170 -7.374 33.710 1.00 19.38 ? 467 LEU A CD2 1 ATOM 3735 N N . GLN A 1 468 ? 36.068 -7.600 30.341 1.00 21.05 ? 468 GLN A N 1 ATOM 3736 C CA . GLN A 1 468 ? 36.869 -6.624 29.612 1.00 22.57 ? 468 GLN A CA 1 ATOM 3737 C C . GLN A 1 468 ? 36.914 -7.036 28.170 1.00 21.41 ? 468 GLN A C 1 ATOM 3738 O O . GLN A 1 468 ? 36.476 -6.293 27.294 1.00 21.59 ? 468 GLN A O 1 ATOM 3739 C CB . GLN A 1 468 ? 38.297 -6.580 30.141 1.00 23.05 ? 468 GLN A CB 1 ATOM 3740 C CG . GLN A 1 468 ? 38.627 -5.373 30.969 1.00 28.74 ? 468 GLN A CG 1 ATOM 3741 C CD . GLN A 1 468 ? 39.934 -5.536 31.679 1.00 29.91 ? 468 GLN A CD 1 ATOM 3742 O OE1 . GLN A 1 468 ? 40.015 -5.486 32.914 1.00 32.70 ? 468 GLN A OE1 1 ATOM 3743 N NE2 . GLN A 1 468 ? 41.113 -5.749 31.103 1.00 30.87 ? 468 GLN A NE2 1 ATOM 3744 N N . THR A 1 469 ? 37.439 -8.226 27.918 1.00 22.76 ? 469 THR A N 1 ATOM 3745 C CA . THR A 1 469 ? 37.559 -8.725 26.558 1.00 23.78 ? 469 THR A CA 1 ATOM 3746 C C . THR A 1 469 ? 36.191 -8.697 25.840 1.00 23.10 ? 469 THR A C 1 ATOM 3747 O O . THR A 1 469 ? 36.121 -8.309 24.671 1.00 24.41 ? 469 THR A O 1 ATOM 3748 C CB . THR A 1 469 ? 38.192 -10.112 26.621 1.00 24.75 ? 469 THR A CB 1 ATOM 3749 O OG1 . THR A 1 469 ? 39.499 -10.016 27.202 1.00 27.97 ? 469 THR A OG1 1 ATOM 3750 C CG2 . THR A 1 469 ? 38.280 -10.725 25.236 1.00 23.94 ? 469 THR A CG2 1 ATOM 3751 N N . VAL A 1 470 ? 35.133 -9.109 26.512 1.00 21.07 ? 470 VAL A N 1 ATOM 3752 C CA . VAL A 1 470 ? 33.807 -9.175 25.896 1.00 19.63 ? 470 VAL A CA 1 ATOM 3753 C C . VAL A 1 470 ? 33.225 -7.778 25.656 1.00 19.23 ? 470 VAL A C 1 ATOM 3754 O O . VAL A 1 470 ? 32.696 -7.496 24.587 1.00 19.50 ? 470 VAL A O 1 ATOM 3755 C CB . VAL A 1 470 ? 32.840 -10.012 26.779 1.00 19.96 ? 470 VAL A CB 1 ATOM 3756 C CG1 . VAL A 1 470 ? 31.400 -9.820 26.329 1.00 18.32 ? 470 VAL A CG1 1 ATOM 3757 C CG2 . VAL A 1 470 ? 33.227 -11.496 26.696 1.00 17.41 ? 470 VAL A CG2 1 ATOM 3758 N N . LEU A 1 471 ? 33.346 -6.905 26.650 1.00 18.01 ? 471 LEU A N 1 ATOM 3759 C CA . LEU A 1 471 ? 32.837 -5.544 26.565 1.00 17.60 ? 471 LEU A CA 1 ATOM 3760 C C . LEU A 1 471 ? 33.785 -4.610 25.806 1.00 19.19 ? 471 LEU A C 1 ATOM 3761 O O . LEU A 1 471 ? 33.385 -3.522 25.373 1.00 18.02 ? 471 LEU A O 1 ATOM 3762 C CB . LEU A 1 471 ? 32.596 -5.012 27.982 1.00 17.36 ? 471 LEU A CB 1 ATOM 3763 C CG . LEU A 1 471 ? 31.190 -5.130 28.609 1.00 20.08 ? 471 LEU A CG 1 ATOM 3764 C CD1 . LEU A 1 471 ? 30.461 -6.374 28.140 1.00 17.31 ? 471 LEU A CD1 1 ATOM 3765 C CD2 . LEU A 1 471 ? 31.308 -5.105 30.135 1.00 18.97 ? 471 LEU A CD2 1 ATOM 3766 N N . LYS A 1 472 ? 35.031 -5.056 25.637 1.00 20.98 ? 472 LYS A N 1 ATOM 3767 C CA . LYS A 1 472 ? 36.082 -4.285 24.963 1.00 22.48 ? 472 LYS A CA 1 ATOM 3768 C C . LYS A 1 472 ? 36.202 -2.899 25.565 1.00 22.30 ? 472 LYS A C 1 ATOM 3769 O O . LYS A 1 472 ? 36.405 -1.905 24.862 1.00 21.35 ? 472 LYS A O 1 ATOM 3770 C CB . LYS A 1 472 ? 35.818 -4.207 23.460 1.00 24.14 ? 472 LYS A CB 1 ATOM 3771 C CG . LYS A 1 472 ? 36.124 -5.521 22.766 1.00 27.25 ? 472 LYS A CG 1 ATOM 3772 C CD . LYS A 1 472 ? 35.797 -5.497 21.289 1.00 32.03 ? 472 LYS A CD 1 ATOM 3773 C CE . LYS A 1 472 ? 35.917 -6.900 20.704 1.00 34.34 ? 472 LYS A CE 1 ATOM 3774 N NZ . LYS A 1 472 ? 35.941 -6.873 19.212 1.00 38.20 ? 472 LYS A NZ 1 ATOM 3775 N N . ASN A 1 473 ? 36.091 -2.866 26.890 1.00 20.99 ? 473 ASN A N 1 ATOM 3776 C CA . ASN A 1 473 ? 36.154 -1.639 27.668 1.00 21.79 ? 473 ASN A CA 1 ATOM 3777 C C . ASN A 1 473 ? 36.600 -2.015 29.088 1.00 22.99 ? 473 ASN A C 1 ATOM 3778 O O . ASN A 1 473 ? 35.903 -2.760 29.785 1.00 24.08 ? 473 ASN A O 1 ATOM 3779 C CB . ASN A 1 473 ? 34.768 -0.991 27.704 1.00 18.46 ? 473 ASN A CB 1 ATOM 3780 C CG . ASN A 1 473 ? 34.803 0.440 28.198 1.00 19.22 ? 473 ASN A CG 1 ATOM 3781 O OD1 . ASN A 1 473 ? 35.471 0.745 29.182 1.00 17.69 ? 473 ASN A OD1 1 ATOM 3782 N ND2 . ASN A 1 473 ? 34.068 1.325 27.525 1.00 16.31 ? 473 ASN A ND2 1 ATOM 3783 N N . LYS A 1 474 ? 37.760 -1.502 29.505 1.00 23.89 ? 474 LYS A N 1 ATOM 3784 C CA . LYS A 1 474 ? 38.328 -1.785 30.830 1.00 25.24 ? 474 LYS A CA 1 ATOM 3785 C C . LYS A 1 474 ? 37.587 -1.150 31.998 1.00 24.76 ? 474 LYS A C 1 ATOM 3786 O O . LYS A 1 474 ? 37.301 -1.806 32.993 1.00 24.32 ? 474 LYS A O 1 ATOM 3787 C CB . LYS A 1 474 ? 39.777 -1.309 30.898 1.00 27.04 ? 474 LYS A CB 1 ATOM 3788 C CG . LYS A 1 474 ? 40.819 -2.387 30.777 1.00 31.93 ? 474 LYS A CG 1 ATOM 3789 C CD . LYS A 1 474 ? 42.194 -1.755 30.852 1.00 37.31 ? 474 LYS A CD 1 ATOM 3790 C CE . LYS A 1 474 ? 43.160 -2.397 29.861 1.00 40.37 ? 474 LYS A CE 1 ATOM 3791 N NZ . LYS A 1 474 ? 44.154 -1.398 29.343 1.00 43.15 ? 474 LYS A NZ 1 ATOM 3792 N N . ILE A 1 475 ? 37.310 0.141 31.871 1.00 24.85 ? 475 ILE A N 1 ATOM 3793 C CA . ILE A 1 475 ? 36.634 0.903 32.908 1.00 25.90 ? 475 ILE A CA 1 ATOM 3794 C C . ILE A 1 475 ? 35.204 0.433 33.149 1.00 24.64 ? 475 ILE A C 1 ATOM 3795 O O . ILE A 1 475 ? 34.778 0.320 34.297 1.00 24.65 ? 475 ILE A O 1 ATOM 3796 C CB . ILE A 1 475 ? 36.656 2.404 32.543 1.00 27.38 ? 475 ILE A CB 1 ATOM 3797 C CG1 . ILE A 1 475 ? 38.107 2.843 32.329 1.00 28.88 ? 475 ILE A CG1 1 ATOM 3798 C CG2 . ILE A 1 475 ? 36.024 3.230 33.643 1.00 27.19 ? 475 ILE A CG2 1 ATOM 3799 C CD1 . ILE A 1 475 ? 38.263 4.183 31.633 1.00 32.45 ? 475 ILE A CD1 1 ATOM 3800 N N . LEU A 1 476 ? 34.461 0.164 32.079 1.00 23.15 ? 476 LEU A N 1 ATOM 3801 C CA . LEU A 1 476 ? 33.088 -0.308 32.236 1.00 22.62 ? 476 LEU A CA 1 ATOM 3802 C C . LEU A 1 476 ? 33.082 -1.674 32.942 1.00 21.52 ? 476 LEU A C 1 ATOM 3803 O O . LEU A 1 476 ? 32.323 -1.885 33.883 1.00 21.82 ? 476 LEU A O 1 ATOM 3804 C CB . LEU A 1 476 ? 32.380 -0.396 30.869 1.00 21.28 ? 476 LEU A CB 1 ATOM 3805 C CG . LEU A 1 476 ? 30.943 -0.954 30.848 1.00 22.28 ? 476 LEU A CG 1 ATOM 3806 C CD1 . LEU A 1 476 ? 30.077 -0.224 31.865 1.00 19.65 ? 476 LEU A CD1 1 ATOM 3807 C CD2 . LEU A 1 476 ? 30.353 -0.823 29.448 1.00 20.91 ? 476 LEU A CD2 1 ATOM 3808 N N . ALA A 1 477 ? 33.947 -2.588 32.512 1.00 21.29 ? 477 ALA A N 1 ATOM 3809 C CA . ALA A 1 477 ? 34.012 -3.922 33.117 1.00 21.01 ? 477 ALA A CA 1 ATOM 3810 C C . ALA A 1 477 ? 34.310 -3.881 34.618 1.00 21.36 ? 477 ALA A C 1 ATOM 3811 O O . ALA A 1 477 ? 33.734 -4.626 35.409 1.00 21.24 ? 477 ALA A O 1 ATOM 3812 C CB . ALA A 1 477 ? 35.062 -4.755 32.405 1.00 20.79 ? 477 ALA A CB 1 ATOM 3813 N N . LYS A 1 478 ? 35.216 -2.991 34.991 1.00 22.55 ? 478 LYS A N 1 ATOM 3814 C CA . LYS A 1 478 ? 35.649 -2.799 36.369 1.00 23.79 ? 478 LYS A CA 1 ATOM 3815 C C . LYS A 1 478 ? 34.552 -2.215 37.257 1.00 23.14 ? 478 LYS A C 1 ATOM 3816 O O . LYS A 1 478 ? 34.398 -2.613 38.411 1.00 24.36 ? 478 LYS A O 1 ATOM 3817 C CB . LYS A 1 478 ? 36.854 -1.880 36.325 1.00 26.61 ? 478 LYS A CB 1 ATOM 3818 C CG . LYS A 1 478 ? 37.446 -1.410 37.621 1.00 29.66 ? 478 LYS A CG 1 ATOM 3819 C CD . LYS A 1 478 ? 38.718 -0.648 37.256 1.00 35.26 ? 478 LYS A CD 1 ATOM 3820 C CE . LYS A 1 478 ? 39.342 -1.239 35.970 1.00 36.48 ? 478 LYS A CE 1 ATOM 3821 N NZ . LYS A 1 478 ? 40.824 -1.394 36.014 1.00 38.62 ? 478 LYS A NZ 1 ATOM 3822 N N . LYS A 1 479 ? 33.804 -1.255 36.725 1.00 22.10 ? 479 LYS A N 1 ATOM 3823 C CA . LYS A 1 479 ? 32.708 -0.651 37.476 1.00 22.34 ? 479 LYS A CA 1 ATOM 3824 C C . LYS A 1 479 ? 31.648 -1.729 37.712 1.00 21.33 ? 479 LYS A C 1 ATOM 3825 O O . LYS A 1 479 ? 31.100 -1.855 38.805 1.00 20.56 ? 479 LYS A O 1 ATOM 3826 C CB . LYS A 1 479 ? 32.099 0.505 36.687 1.00 22.55 ? 479 LYS A CB 1 ATOM 3827 C CG . LYS A 1 479 ? 32.915 1.785 36.695 1.00 26.12 ? 479 LYS A CG 1 ATOM 3828 C CD . LYS A 1 479 ? 32.342 2.782 35.700 1.00 28.64 ? 479 LYS A CD 1 ATOM 3829 C CE . LYS A 1 479 ? 32.834 4.188 35.978 1.00 31.24 ? 479 LYS A CE 1 ATOM 3830 N NZ . LYS A 1 479 ? 32.670 5.069 34.786 1.00 34.33 ? 479 LYS A NZ 1 ATOM 3831 N N . LEU A 1 480 ? 31.367 -2.499 36.667 1.00 19.43 ? 480 LEU A N 1 ATOM 3832 C CA . LEU A 1 480 ? 30.403 -3.585 36.739 1.00 20.49 ? 480 LEU A CA 1 ATOM 3833 C C . LEU A 1 480 ? 30.891 -4.655 37.742 1.00 20.04 ? 480 LEU A C 1 ATOM 3834 O O . LEU A 1 480 ? 30.095 -5.187 38.515 1.00 19.62 ? 480 LEU A O 1 ATOM 3835 C CB . LEU A 1 480 ? 30.223 -4.183 35.336 1.00 19.22 ? 480 LEU A CB 1 ATOM 3836 C CG . LEU A 1 480 ? 28.870 -4.259 34.594 1.00 22.24 ? 480 LEU A CG 1 ATOM 3837 C CD1 . LEU A 1 480 ? 27.842 -3.278 35.127 1.00 19.79 ? 480 LEU A CD1 1 ATOM 3838 C CD2 . LEU A 1 480 ? 29.118 -4.036 33.099 1.00 17.76 ? 480 LEU A CD2 1 ATOM 3839 N N . MET A 1 481 ? 32.186 -4.974 37.741 1.00 21.24 ? 481 MET A N 1 ATOM 3840 C CA . MET A 1 481 ? 32.694 -5.974 38.690 1.00 21.35 ? 481 MET A CA 1 ATOM 3841 C C . MET A 1 481 ? 32.590 -5.491 40.134 1.00 21.37 ? 481 MET A C 1 ATOM 3842 O O . MET A 1 481 ? 32.163 -6.252 41.007 1.00 21.89 ? 481 MET A O 1 ATOM 3843 C CB . MET A 1 481 ? 34.149 -6.362 38.390 1.00 21.73 ? 481 MET A CB 1 ATOM 3844 C CG . MET A 1 481 ? 34.314 -7.392 37.276 1.00 24.02 ? 481 MET A CG 1 ATOM 3845 S SD . MET A 1 481 ? 33.356 -8.929 37.532 1.00 25.71 ? 481 MET A SD 1 ATOM 3846 C CE . MET A 1 481 ? 34.462 -9.869 38.575 1.00 24.63 ? 481 MET A CE 1 ATOM 3847 N N . ASP A 1 482 ? 32.966 -4.237 40.394 1.00 20.66 ? 482 ASP A N 1 ATOM 3848 C CA . ASP A 1 482 ? 32.889 -3.711 41.758 1.00 21.20 ? 482 ASP A CA 1 ATOM 3849 C C . ASP A 1 482 ? 31.458 -3.681 42.329 1.00 21.72 ? 482 ASP A C 1 ATOM 3850 O O . ASP A 1 482 ? 31.281 -3.763 43.544 1.00 19.98 ? 482 ASP A O 1 ATOM 3851 C CB . ASP A 1 482 ? 33.513 -2.307 41.852 1.00 24.00 ? 482 ASP A CB 1 ATOM 3852 C CG . ASP A 1 482 ? 35.003 -2.299 41.531 1.00 26.15 ? 482 ASP A CG 1 ATOM 3853 O OD1 . ASP A 1 482 ? 35.657 -3.357 41.650 1.00 27.03 ? 482 ASP A OD1 1 ATOM 3854 O OD2 . ASP A 1 482 ? 35.528 -1.223 41.168 1.00 27.77 ? 482 ASP A OD2 1 ATOM 3855 N N . LEU A 1 483 ? 30.443 -3.571 41.471 1.00 20.26 ? 483 LEU A N 1 ATOM 3856 C CA . LEU A 1 483 ? 29.054 -3.549 41.944 1.00 19.85 ? 483 LEU A CA 1 ATOM 3857 C C . LEU A 1 483 ? 28.378 -4.921 42.022 1.00 18.44 ? 483 LEU A C 1 ATOM 3858 O O . LEU A 1 483 ? 27.625 -5.200 42.958 1.00 18.98 ? 483 LEU A O 1 ATOM 3859 C CB . LEU A 1 483 ? 28.192 -2.629 41.061 1.00 19.48 ? 483 LEU A CB 1 ATOM 3860 C CG . LEU A 1 483 ? 28.298 -1.114 41.285 1.00 23.56 ? 483 LEU A CG 1 ATOM 3861 C CD1 . LEU A 1 483 ? 27.414 -0.376 40.286 1.00 23.99 ? 483 LEU A CD1 1 ATOM 3862 C CD2 . LEU A 1 483 ? 27.883 -0.768 42.709 1.00 22.60 ? 483 LEU A CD2 1 ATOM 3863 N N . TYR A 1 484 ? 28.648 -5.768 41.038 1.00 16.79 ? 484 TYR A N 1 ATOM 3864 C CA . TYR A 1 484 ? 28.034 -7.090 40.966 1.00 16.21 ? 484 TYR A CA 1 ATOM 3865 C C . TYR A 1 484 ? 28.872 -8.246 41.508 1.00 17.70 ? 484 TYR A C 1 ATOM 3866 O O . TYR A 1 484 ? 28.313 -9.277 41.882 1.00 18.33 ? 484 TYR A O 1 ATOM 3867 C CB . TYR A 1 484 ? 27.618 -7.380 39.517 1.00 15.10 ? 484 TYR A CB 1 ATOM 3868 C CG . TYR A 1 484 ? 26.411 -6.578 39.044 1.00 12.53 ? 484 TYR A CG 1 ATOM 3869 C CD1 . TYR A 1 484 ? 25.102 -7.018 39.296 1.00 13.42 ? 484 TYR A CD1 1 ATOM 3870 C CD2 . TYR A 1 484 ? 26.576 -5.388 38.327 1.00 12.32 ? 484 TYR A CD2 1 ATOM 3871 C CE1 . TYR A 1 484 ? 24.024 -6.294 38.836 1.00 11.09 ? 484 TYR A CE1 1 ATOM 3872 C CE2 . TYR A 1 484 ? 25.480 -4.664 37.870 1.00 9.77 ? 484 TYR A CE2 1 ATOM 3873 C CZ . TYR A 1 484 ? 24.194 -5.126 38.126 1.00 11.58 ? 484 TYR A CZ 1 ATOM 3874 O OH . TYR A 1 484 ? 23.101 -4.432 37.668 1.00 10.09 ? 484 TYR A OH 1 ATOM 3875 N N . LYS A 1 485 ? 30.194 -8.105 41.545 1.00 19.29 ? 485 LYS A N 1 ATOM 3876 C CA . LYS A 1 485 ? 31.110 -9.156 42.096 1.00 23.56 ? 485 LYS A CA 1 ATOM 3877 C C . LYS A 1 485 ? 31.106 -10.499 41.355 1.00 23.25 ? 485 LYS A C 1 ATOM 3878 O O . LYS A 1 485 ? 31.750 -11.464 41.796 1.00 25.90 ? 485 LYS A O 1 ATOM 3879 C CB . LYS A 1 485 ? 30.750 -9.482 43.555 1.00 23.58 ? 485 LYS A CB 1 ATOM 3880 C CG . LYS A 1 485 ? 30.537 -8.264 44.431 1.00 28.08 ? 485 LYS A CG 1 ATOM 3881 C CD . LYS A 1 485 ? 31.808 -7.434 44.508 1.00 31.97 ? 485 LYS A CD 1 ATOM 3882 C CE . LYS A 1 485 ? 31.807 -6.560 45.734 1.00 32.94 ? 485 LYS A CE 1 ATOM 3883 N NZ . LYS A 1 485 ? 31.105 -5.271 45.489 1.00 35.62 ? 485 LYS A NZ 1 ATOM 3884 N N . THR A 1 486 ? 30.426 -10.554 40.229 1.00 22.59 ? 486 THR A N 1 ATOM 3885 C CA . THR A 1 486 ? 30.421 -11.741 39.394 1.00 22.31 ? 486 THR A CA 1 ATOM 3886 C C . THR A 1 486 ? 29.544 -11.457 38.199 1.00 20.88 ? 486 THR A C 1 ATOM 3887 O O . THR A 1 486 ? 28.401 -11.036 38.340 1.00 19.89 ? 486 THR A O 1 ATOM 3888 C CB . THR A 1 486 ? 29.951 -12.984 40.123 1.00 20.06 ? 486 THR A CB 1 ATOM 3889 O OG1 . THR A 1 486 ? 29.954 -14.089 39.215 1.00 20.72 ? 486 THR A OG1 1 ATOM 3890 C CG2 . THR A 1 486 ? 28.553 -12.772 40.676 1.00 20.90 ? 486 THR A CG2 1 ATOM 3891 N N . PRO A 1 487 ? 30.081 -11.664 36.997 1.00 21.81 ? 487 PRO A N 1 ATOM 3892 C CA . PRO A 1 487 ? 29.295 -11.404 35.789 1.00 21.45 ? 487 PRO A CA 1 ATOM 3893 C C . PRO A 1 487 ? 27.990 -12.203 35.763 1.00 20.89 ? 487 PRO A C 1 ATOM 3894 O O . PRO A 1 487 ? 27.073 -11.863 35.023 1.00 20.50 ? 487 PRO A O 1 ATOM 3895 C CB . PRO A 1 487 ? 30.244 -11.806 34.660 1.00 22.18 ? 487 PRO A CB 1 ATOM 3896 C CG . PRO A 1 487 ? 31.635 -11.723 35.303 1.00 21.85 ? 487 PRO A CG 1 ATOM 3897 C CD . PRO A 1 487 ? 31.377 -12.279 36.670 1.00 20.88 ? 487 PRO A CD 1 ATOM 3898 N N . ASP A 1 488 ? 27.917 -13.266 36.564 1.00 20.27 ? 488 ASP A N 1 ATOM 3899 C CA . ASP A 1 488 ? 26.717 -14.095 36.631 1.00 19.07 ? 488 ASP A CA 1 ATOM 3900 C C . ASP A 1 488 ? 25.534 -13.309 37.195 1.00 18.71 ? 488 ASP A C 1 ATOM 3901 O O . ASP A 1 488 ? 24.385 -13.567 36.834 1.00 17.67 ? 488 ASP A O 1 ATOM 3902 C CB . ASP A 1 488 ? 26.941 -15.329 37.520 1.00 20.03 ? 488 ASP A CB 1 ATOM 3903 C CG . ASP A 1 488 ? 27.857 -16.370 36.883 1.00 22.27 ? 488 ASP A CG 1 ATOM 3904 O OD1 . ASP A 1 488 ? 28.091 -16.318 35.655 1.00 21.81 ? 488 ASP A OD1 1 ATOM 3905 O OD2 . ASP A 1 488 ? 28.336 -17.259 37.622 1.00 24.11 ? 488 ASP A OD2 1 ATOM 3906 N N . ASN A 1 489 ? 25.823 -12.350 38.072 1.00 16.62 ? 489 ASN A N 1 ATOM 3907 C CA . ASN A 1 489 ? 24.783 -11.546 38.717 1.00 16.40 ? 489 ASN A CA 1 ATOM 3908 C C . ASN A 1 489 ? 24.318 -10.300 37.973 1.00 16.24 ? 489 ASN A C 1 ATOM 3909 O O . ASN A 1 489 ? 23.325 -9.683 38.366 1.00 16.65 ? 489 ASN A O 1 ATOM 3910 C CB . ASN A 1 489 ? 25.241 -11.124 40.112 1.00 14.77 ? 489 ASN A CB 1 ATOM 3911 C CG . ASN A 1 489 ? 25.226 -12.265 41.103 1.00 14.85 ? 489 ASN A CG 1 ATOM 3912 O OD1 . ASN A 1 489 ? 25.093 -13.432 40.725 1.00 14.03 ? 489 ASN A OD1 1 ATOM 3913 N ND2 . ASN A 1 489 ? 25.371 -11.937 42.384 1.00 10.78 ? 489 ASN A ND2 1 ATOM 3914 N N . ILE A 1 490 ? 25.020 -9.925 36.911 1.00 14.51 ? 490 ILE A N 1 ATOM 3915 C CA . ILE A 1 490 ? 24.651 -8.732 36.155 1.00 14.83 ? 490 ILE A CA 1 ATOM 3916 C C . ILE A 1 490 ? 23.242 -8.823 35.554 1.00 14.70 ? 490 ILE A C 1 ATOM 3917 O O . ILE A 1 490 ? 22.916 -9.781 34.853 1.00 13.73 ? 490 ILE A O 1 ATOM 3918 C CB . ILE A 1 490 ? 25.675 -8.469 35.033 1.00 12.71 ? 490 ILE A CB 1 ATOM 3919 C CG1 . ILE A 1 490 ? 27.061 -8.238 35.653 1.00 13.66 ? 490 ILE A CG1 1 ATOM 3920 C CG2 . ILE A 1 490 ? 25.239 -7.276 34.193 1.00 11.92 ? 490 ILE A CG2 1 ATOM 3921 C CD1 . ILE A 1 490 ? 28.201 -8.227 34.652 1.00 10.43 ? 490 ILE A CD1 1 ATOM 3922 N N . ASP A 1 491 ? 22.413 -7.820 35.838 1.00 14.85 ? 491 ASP A N 1 ATOM 3923 C CA . ASP A 1 491 ? 21.044 -7.785 35.326 1.00 15.48 ? 491 ASP A CA 1 ATOM 3924 C C . ASP A 1 491 ? 21.101 -7.736 33.796 1.00 15.67 ? 491 ASP A C 1 ATOM 3925 O O . ASP A 1 491 ? 21.921 -7.010 33.224 1.00 14.54 ? 491 ASP A O 1 ATOM 3926 C CB . ASP A 1 491 ? 20.308 -6.564 35.888 1.00 17.03 ? 491 ASP A CB 1 ATOM 3927 C CG . ASP A 1 491 ? 20.201 -6.590 37.415 1.00 18.83 ? 491 ASP A CG 1 ATOM 3928 O OD1 . ASP A 1 491 ? 19.403 -7.401 37.941 1.00 18.23 ? 491 ASP A OD1 1 ATOM 3929 O OD2 . ASP A 1 491 ? 20.917 -5.806 38.085 1.00 15.12 ? 491 ASP A OD2 1 ATOM 3930 N N . ILE A 1 492 ? 20.234 -8.513 33.142 1.00 14.49 ? 492 ILE A N 1 ATOM 3931 C CA . ILE A 1 492 ? 20.214 -8.604 31.681 1.00 14.35 ? 492 ILE A CA 1 ATOM 3932 C C . ILE A 1 492 ? 20.065 -7.255 30.958 1.00 14.05 ? 492 ILE A C 1 ATOM 3933 O O . ILE A 1 492 ? 20.742 -7.015 29.952 1.00 12.30 ? 492 ILE A O 1 ATOM 3934 C CB . ILE A 1 492 ? 19.122 -9.639 31.193 1.00 14.91 ? 492 ILE A CB 1 ATOM 3935 C CG1 . ILE A 1 492 ? 19.263 -9.887 29.689 1.00 15.38 ? 492 ILE A CG1 1 ATOM 3936 C CG2 . ILE A 1 492 ? 17.718 -9.170 31.548 1.00 10.64 ? 492 ILE A CG2 1 ATOM 3937 C CD1 . ILE A 1 492 ? 20.506 -10.670 29.308 1.00 18.24 ? 492 ILE A CD1 1 ATOM 3938 N N . TRP A 1 493 ? 19.227 -6.357 31.474 1.00 13.71 ? 493 TRP A N 1 ATOM 3939 C CA . TRP A 1 493 ? 19.064 -5.060 30.816 1.00 13.20 ? 493 TRP A CA 1 ATOM 3940 C C . TRP A 1 493 ? 20.386 -4.309 30.641 1.00 14.02 ? 493 TRP A C 1 ATOM 3941 O O . TRP A 1 493 ? 20.683 -3.840 29.543 1.00 14.15 ? 493 TRP A O 1 ATOM 3942 C CB . TRP A 1 493 ? 18.088 -4.146 31.575 1.00 13.63 ? 493 TRP A CB 1 ATOM 3943 C CG . TRP A 1 493 ? 17.903 -2.821 30.861 1.00 12.27 ? 493 TRP A CG 1 ATOM 3944 C CD1 . TRP A 1 493 ? 17.276 -2.617 29.661 1.00 9.35 ? 493 TRP A CD1 1 ATOM 3945 C CD2 . TRP A 1 493 ? 18.413 -1.542 31.268 1.00 10.97 ? 493 TRP A CD2 1 ATOM 3946 N NE1 . TRP A 1 493 ? 17.371 -1.298 29.297 1.00 11.33 ? 493 TRP A NE1 1 ATOM 3947 C CE2 . TRP A 1 493 ? 18.065 -0.615 30.262 1.00 12.08 ? 493 TRP A CE2 1 ATOM 3948 C CE3 . TRP A 1 493 ? 19.139 -1.092 32.380 1.00 12.64 ? 493 TRP A CE3 1 ATOM 3949 C CZ2 . TRP A 1 493 ? 18.410 0.745 30.340 1.00 11.74 ? 493 TRP A CZ2 1 ATOM 3950 C CZ3 . TRP A 1 493 ? 19.484 0.259 32.459 1.00 10.02 ? 493 TRP A CZ3 1 ATOM 3951 C CH2 . TRP A 1 493 ? 19.121 1.158 31.442 1.00 11.88 ? 493 TRP A CH2 1 ATOM 3952 N N . ILE A 1 494 ? 21.183 -4.184 31.702 1.00 13.50 ? 494 ILE A N 1 ATOM 3953 C CA . ILE A 1 494 ? 22.435 -3.449 31.552 1.00 14.92 ? 494 ILE A CA 1 ATOM 3954 C C . ILE A 1 494 ? 23.533 -4.283 30.906 1.00 13.96 ? 494 ILE A C 1 ATOM 3955 O O . ILE A 1 494 ? 24.321 -3.764 30.117 1.00 15.20 ? 494 ILE A O 1 ATOM 3956 C CB . ILE A 1 494 ? 22.935 -2.824 32.898 1.00 16.97 ? 494 ILE A CB 1 ATOM 3957 C CG1 . ILE A 1 494 ? 24.037 -1.807 32.589 1.00 17.58 ? 494 ILE A CG1 1 ATOM 3958 C CG2 . ILE A 1 494 ? 23.451 -3.889 33.848 1.00 16.11 ? 494 ILE A CG2 1 ATOM 3959 C CD1 . ILE A 1 494 ? 24.381 -0.902 33.739 1.00 24.48 ? 494 ILE A CD1 1 ATOM 3960 N N . GLY A 1 495 ? 23.569 -5.576 31.208 1.00 13.44 ? 495 GLY A N 1 ATOM 3961 C CA . GLY A 1 495 ? 24.572 -6.432 30.598 1.00 13.83 ? 495 GLY A CA 1 ATOM 3962 C C . GLY A 1 495 ? 24.448 -6.472 29.083 1.00 13.63 ? 495 GLY A C 1 ATOM 3963 O O . GLY A 1 495 ? 25.441 -6.351 28.356 1.00 14.88 ? 495 GLY A O 1 ATOM 3964 N N . GLY A 1 496 ? 23.223 -6.637 28.600 1.00 13.84 ? 496 GLY A N 1 ATOM 3965 C CA . GLY A 1 496 ? 23.004 -6.690 27.166 1.00 15.14 ? 496 GLY A CA 1 ATOM 3966 C C . GLY A 1 496 ? 23.308 -5.379 26.463 1.00 16.09 ? 496 GLY A C 1 ATOM 3967 O O . GLY A 1 496 ? 23.849 -5.374 25.359 1.00 16.64 ? 496 GLY A O 1 ATOM 3968 N N . ASN A 1 497 ? 22.963 -4.264 27.101 1.00 16.54 ? 497 ASN A N 1 ATOM 3969 C CA . ASN A 1 497 ? 23.196 -2.955 26.513 1.00 17.50 ? 497 ASN A CA 1 ATOM 3970 C C . ASN A 1 497 ? 24.646 -2.469 26.632 1.00 19.43 ? 497 ASN A C 1 ATOM 3971 O O . ASN A 1 497 ? 25.037 -1.526 25.951 1.00 20.55 ? 497 ASN A O 1 ATOM 3972 C CB . ASN A 1 497 ? 22.239 -1.922 27.129 1.00 15.73 ? 497 ASN A CB 1 ATOM 3973 C CG . ASN A 1 497 ? 20.810 -2.068 26.617 1.00 16.76 ? 497 ASN A CG 1 ATOM 3974 O OD1 . ASN A 1 497 ? 19.897 -2.443 27.356 1.00 16.54 ? 497 ASN A OD1 1 ATOM 3975 N ND2 . ASN A 1 497 ? 20.616 -1.778 25.338 1.00 16.94 ? 497 ASN A ND2 1 ATOM 3976 N N . ALA A 1 498 ? 25.449 -3.120 27.470 1.00 18.93 ? 498 ALA A N 1 ATOM 3977 C CA . ALA A 1 498 ? 26.845 -2.709 27.639 1.00 18.27 ? 498 ALA A CA 1 ATOM 3978 C C . ALA A 1 498 ? 27.792 -3.224 26.536 1.00 18.25 ? 498 ALA A C 1 ATOM 3979 O O . ALA A 1 498 ? 28.888 -2.692 26.359 1.00 16.33 ? 498 ALA A O 1 ATOM 3980 C CB . ALA A 1 498 ? 27.353 -3.158 29.018 1.00 18.45 ? 498 ALA A CB 1 ATOM 3981 N N . GLU A 1 499 ? 27.365 -4.248 25.797 1.00 17.77 ? 499 GLU A N 1 ATOM 3982 C CA . GLU A 1 499 ? 28.186 -4.839 24.738 1.00 17.15 ? 499 GLU A CA 1 ATOM 3983 C C . GLU A 1 499 ? 28.327 -3.950 23.511 1.00 18.00 ? 499 GLU A C 1 ATOM 3984 O O . GLU A 1 499 ? 27.385 -3.267 23.118 1.00 17.84 ? 499 GLU A O 1 ATOM 3985 C CB . GLU A 1 499 ? 27.610 -6.196 24.307 1.00 15.28 ? 499 GLU A CB 1 ATOM 3986 C CG . GLU A 1 499 ? 27.551 -7.239 25.409 1.00 13.73 ? 499 GLU A CG 1 ATOM 3987 C CD . GLU A 1 499 ? 26.955 -8.552 24.939 1.00 15.42 ? 499 GLU A CD 1 ATOM 3988 O OE1 . GLU A 1 499 ? 26.298 -8.570 23.879 1.00 16.89 ? 499 GLU A OE1 1 ATOM 3989 O OE2 . GLU A 1 499 ? 27.128 -9.571 25.638 1.00 17.67 ? 499 GLU A OE2 1 ATOM 3990 N N . PRO A 1 500 ? 29.515 -3.949 22.885 1.00 18.92 ? 500 PRO A N 1 ATOM 3991 C CA . PRO A 1 500 ? 29.697 -3.112 21.691 1.00 19.86 ? 500 PRO A CA 1 ATOM 3992 C C . PRO A 1 500 ? 28.755 -3.577 20.579 1.00 20.94 ? 500 PRO A C 1 ATOM 3993 O O . PRO A 1 500 ? 28.421 -4.754 20.497 1.00 20.99 ? 500 PRO A O 1 ATOM 3994 C CB . PRO A 1 500 ? 31.166 -3.302 21.306 1.00 20.34 ? 500 PRO A CB 1 ATOM 3995 C CG . PRO A 1 500 ? 31.756 -4.243 22.286 1.00 21.23 ? 500 PRO A CG 1 ATOM 3996 C CD . PRO A 1 500 ? 30.699 -4.758 23.211 1.00 19.49 ? 500 PRO A CD 1 ATOM 3997 N N . MET A 1 501 ? 28.344 -2.656 19.718 1.00 22.19 ? 501 MET A N 1 ATOM 3998 C CA . MET A 1 501 ? 27.418 -2.968 18.637 1.00 24.25 ? 501 MET A CA 1 ATOM 3999 C C . MET A 1 501 ? 27.992 -3.800 17.504 1.00 24.33 ? 501 MET A C 1 ATOM 4000 O O . MET A 1 501 ? 29.184 -3.735 17.217 1.00 24.86 ? 501 MET A O 1 ATOM 4001 C CB . MET A 1 501 ? 26.871 -1.675 18.052 1.00 26.36 ? 501 MET A CB 1 ATOM 4002 C CG . MET A 1 501 ? 26.208 -0.799 19.065 1.00 29.81 ? 501 MET A CG 1 ATOM 4003 S SD . MET A 1 501 ? 25.801 0.812 18.368 1.00 35.16 ? 501 MET A SD 1 ATOM 4004 C CE . MET A 1 501 ? 24.783 1.416 19.654 1.00 30.55 ? 501 MET A CE 1 ATOM 4005 N N . VAL A 1 502 ? 27.129 -4.582 16.862 1.00 24.93 ? 502 VAL A N 1 ATOM 4006 C CA . VAL A 1 502 ? 27.543 -5.392 15.729 1.00 25.27 ? 502 VAL A CA 1 ATOM 4007 C C . VAL A 1 502 ? 27.623 -4.484 14.498 1.00 26.30 ? 502 VAL A C 1 ATOM 4008 O O . VAL A 1 502 ? 27.035 -3.400 14.460 1.00 25.66 ? 502 VAL A O 1 ATOM 4009 C CB . VAL A 1 502 ? 26.550 -6.558 15.445 1.00 24.37 ? 502 VAL A CB 1 ATOM 4010 C CG1 . VAL A 1 502 ? 26.545 -7.528 16.609 1.00 23.97 ? 502 VAL A CG1 1 ATOM 4011 C CG2 . VAL A 1 502 ? 25.148 -6.022 15.192 1.00 22.40 ? 502 VAL A CG2 1 ATOM 4012 N N . GLU A 1 503 ? 28.372 -4.942 13.506 1.00 27.73 ? 503 GLU A N 1 ATOM 4013 C CA . GLU A 1 503 ? 28.583 -4.229 12.252 1.00 29.86 ? 503 GLU A CA 1 ATOM 4014 C C . GLU A 1 503 ? 27.222 -3.853 11.630 1.00 28.57 ? 503 GLU A C 1 ATOM 4015 O O . GLU A 1 503 ? 26.347 -4.705 11.468 1.00 27.95 ? 503 GLU A O 1 ATOM 4016 C CB . GLU A 1 503 ? 29.408 -5.157 11.344 1.00 33.56 ? 503 GLU A CB 1 ATOM 4017 C CG . GLU A 1 503 ? 30.006 -4.583 10.066 1.00 38.47 ? 503 GLU A CG 1 ATOM 4018 C CD . GLU A 1 503 ? 30.830 -5.637 9.308 1.00 42.28 ? 503 GLU A CD 1 ATOM 4019 O OE1 . GLU A 1 503 ? 32.016 -5.851 9.661 1.00 43.45 ? 503 GLU A OE1 1 ATOM 4020 O OE2 . GLU A 1 503 ? 30.281 -6.266 8.371 1.00 43.29 ? 503 GLU A OE2 1 ATOM 4021 N N . ARG A 1 504 ? 27.059 -2.566 11.316 1.00 28.19 ? 504 ARG A N 1 ATOM 4022 C CA . ARG A 1 504 ? 25.841 -1.989 10.720 1.00 29.19 ? 504 ARG A CA 1 ATOM 4023 C C . ARG A 1 504 ? 24.579 -2.072 11.589 1.00 27.46 ? 504 ARG A C 1 ATOM 4024 O O . ARG A 1 504 ? 23.481 -1.793 11.110 1.00 27.58 ? 504 ARG A O 1 ATOM 4025 C CB . ARG A 1 504 ? 25.535 -2.617 9.347 1.00 32.87 ? 504 ARG A CB 1 ATOM 4026 C CG . ARG A 1 504 ? 26.661 -2.550 8.303 1.00 37.90 ? 504 ARG A CG 1 ATOM 4027 C CD . ARG A 1 504 ? 26.806 -1.193 7.606 1.00 42.58 ? 504 ARG A CD 1 ATOM 4028 N NE . ARG A 1 504 ? 28.044 -1.154 6.821 1.00 47.51 ? 504 ARG A NE 1 ATOM 4029 C CZ . ARG A 1 504 ? 28.634 -0.044 6.380 1.00 48.52 ? 504 ARG A CZ 1 ATOM 4030 N NH1 . ARG A 1 504 ? 28.102 1.146 6.635 1.00 49.66 ? 504 ARG A NH1 1 ATOM 4031 N NH2 . ARG A 1 504 ? 29.778 -0.127 5.708 1.00 48.15 ? 504 ARG A NH2 1 ATOM 4032 N N . GLY A 1 505 ? 24.727 -2.444 12.856 1.00 24.96 ? 505 GLY A N 1 ATOM 4033 C CA . GLY A 1 505 ? 23.569 -2.538 13.730 1.00 23.28 ? 505 GLY A CA 1 ATOM 4034 C C . GLY A 1 505 ? 23.610 -1.541 14.873 1.00 22.83 ? 505 GLY A C 1 ATOM 4035 O O . GLY A 1 505 ? 24.473 -0.663 14.906 1.00 22.84 ? 505 GLY A O 1 ATOM 4036 N N . ARG A 1 506 ? 22.682 -1.667 15.817 1.00 21.47 ? 506 ARG A N 1 ATOM 4037 C CA . ARG A 1 506 ? 22.658 -0.749 16.945 1.00 19.04 ? 506 ARG A CA 1 ATOM 4038 C C . ARG A 1 506 ? 22.450 -1.471 18.274 1.00 18.72 ? 506 ARG A C 1 ATOM 4039 O O . ARG A 1 506 ? 22.039 -0.872 19.270 1.00 17.54 ? 506 ARG A O 1 ATOM 4040 C CB . ARG A 1 506 ? 21.607 0.344 16.715 1.00 19.48 ? 506 ARG A CB 1 ATOM 4041 C CG . ARG A 1 506 ? 21.970 1.332 15.583 1.00 21.09 ? 506 ARG A CG 1 ATOM 4042 C CD . ARG A 1 506 ? 23.146 2.252 15.968 1.00 22.88 ? 506 ARG A CD 1 ATOM 4043 N NE . ARG A 1 506 ? 23.377 3.342 15.013 1.00 22.02 ? 506 ARG A NE 1 ATOM 4044 C CZ . ARG A 1 506 ? 24.251 3.304 14.006 1.00 23.42 ? 506 ARG A CZ 1 ATOM 4045 N NH1 . ARG A 1 506 ? 24.996 2.227 13.806 1.00 23.42 ? 506 ARG A NH1 1 ATOM 4046 N NH2 . ARG A 1 506 ? 24.380 4.345 13.189 1.00 22.20 ? 506 ARG A NH2 1 ATOM 4047 N N . VAL A 1 507 ? 22.724 -2.776 18.263 1.00 16.20 ? 507 VAL A N 1 ATOM 4048 C CA . VAL A 1 507 ? 22.687 -3.602 19.464 1.00 14.38 ? 507 VAL A CA 1 ATOM 4049 C C . VAL A 1 507 ? 23.856 -4.585 19.379 1.00 14.64 ? 507 VAL A C 1 ATOM 4050 O O . VAL A 1 507 ? 24.386 -4.848 18.298 1.00 14.32 ? 507 VAL A O 1 ATOM 4051 C CB . VAL A 1 507 ? 21.354 -4.389 19.644 1.00 14.93 ? 507 VAL A CB 1 ATOM 4052 C CG1 . VAL A 1 507 ? 20.205 -3.419 19.850 1.00 15.55 ? 507 VAL A CG1 1 ATOM 4053 C CG2 . VAL A 1 507 ? 21.096 -5.305 18.462 1.00 14.69 ? 507 VAL A CG2 1 ATOM 4054 N N . GLY A 1 508 ? 24.278 -5.102 20.524 1.00 13.24 ? 508 GLY A N 1 ATOM 4055 C CA . GLY A 1 508 ? 25.367 -6.055 20.532 1.00 13.80 ? 508 GLY A CA 1 ATOM 4056 C C . GLY A 1 508 ? 24.926 -7.480 20.217 1.00 13.60 ? 508 GLY A C 1 ATOM 4057 O O . GLY A 1 508 ? 23.768 -7.723 19.856 1.00 14.08 ? 508 GLY A O 1 ATOM 4058 N N . PRO A 1 509 ? 25.849 -8.447 20.338 1.00 12.60 ? 509 PRO A N 1 ATOM 4059 C CA . PRO A 1 509 ? 25.652 -9.882 20.090 1.00 12.63 ? 509 PRO A CA 1 ATOM 4060 C C . PRO A 1 509 ? 24.518 -10.522 20.897 1.00 13.59 ? 509 PRO A C 1 ATOM 4061 O O . PRO A 1 509 ? 23.665 -11.208 20.334 1.00 15.32 ? 509 PRO A O 1 ATOM 4062 C CB . PRO A 1 509 ? 26.994 -10.499 20.478 1.00 13.69 ? 509 PRO A CB 1 ATOM 4063 C CG . PRO A 1 509 ? 27.974 -9.404 20.282 1.00 13.34 ? 509 PRO A CG 1 ATOM 4064 C CD . PRO A 1 509 ? 27.250 -8.150 20.688 1.00 12.75 ? 509 PRO A CD 1 ATOM 4065 N N . LEU A 1 510 ? 24.525 -10.333 22.217 1.00 13.82 ? 510 LEU A N 1 ATOM 4066 C CA . LEU A 1 510 ? 23.489 -10.927 23.059 1.00 13.76 ? 510 LEU A CA 1 ATOM 4067 C C . LEU A 1 510 ? 22.106 -10.450 22.623 1.00 13.69 ? 510 LEU A C 1 ATOM 4068 O O . LEU A 1 510 ? 21.223 -11.264 22.330 1.00 13.67 ? 510 LEU A O 1 ATOM 4069 C CB . LEU A 1 510 ? 23.720 -10.591 24.536 1.00 13.37 ? 510 LEU A CB 1 ATOM 4070 C CG . LEU A 1 510 ? 22.798 -11.307 25.536 1.00 13.72 ? 510 LEU A CG 1 ATOM 4071 C CD1 . LEU A 1 510 ? 22.776 -12.795 25.252 1.00 11.93 ? 510 LEU A CD1 1 ATOM 4072 C CD2 . LEU A 1 510 ? 23.276 -11.056 26.955 1.00 12.02 ? 510 LEU A CD2 1 ATOM 4073 N N . LEU A 1 511 ? 21.934 -9.134 22.553 1.00 12.31 ? 511 LEU A N 1 ATOM 4074 C CA . LEU A 1 511 ? 20.663 -8.541 22.155 1.00 13.82 ? 511 LEU A CA 1 ATOM 4075 C C . LEU A 1 511 ? 20.232 -8.930 20.735 1.00 13.37 ? 511 LEU A C 1 ATOM 4076 O O . LEU A 1 511 ? 19.056 -9.201 20.502 1.00 13.68 ? 511 LEU A O 1 ATOM 4077 C CB . LEU A 1 511 ? 20.741 -7.012 22.306 1.00 12.14 ? 511 LEU A CB 1 ATOM 4078 C CG . LEU A 1 511 ? 20.056 -6.360 23.522 1.00 15.68 ? 511 LEU A CG 1 ATOM 4079 C CD1 . LEU A 1 511 ? 20.086 -7.271 24.718 1.00 14.14 ? 511 LEU A CD1 1 ATOM 4080 C CD2 . LEU A 1 511 ? 20.723 -5.028 23.843 1.00 15.02 ? 511 LEU A CD2 1 ATOM 4081 N N . ALA A 1 512 ? 21.171 -8.958 19.789 1.00 14.28 ? 512 ALA A N 1 ATOM 4082 C CA . ALA A 1 512 ? 20.836 -9.341 18.418 1.00 14.64 ? 512 ALA A CA 1 ATOM 4083 C C . ALA A 1 512 ? 20.197 -10.727 18.450 1.00 14.82 ? 512 ALA A C 1 ATOM 4084 O O . ALA A 1 512 ? 19.253 -11.009 17.716 1.00 15.98 ? 512 ALA A O 1 ATOM 4085 C CB . ALA A 1 512 ? 22.093 -9.363 17.544 1.00 12.96 ? 512 ALA A CB 1 ATOM 4086 N N . CYS A 1 513 ? 20.727 -11.589 19.311 1.00 15.04 ? 513 CYS A N 1 ATOM 4087 C CA . CYS A 1 513 ? 20.209 -12.940 19.457 1.00 14.78 ? 513 CYS A CA 1 ATOM 4088 C C . CYS A 1 513 ? 18.812 -12.978 20.060 1.00 13.84 ? 513 CYS A C 1 ATOM 4089 O O . CYS A 1 513 ? 17.923 -13.615 19.505 1.00 12.95 ? 513 CYS A O 1 ATOM 4090 C CB . CYS A 1 513 ? 21.162 -13.776 20.310 1.00 15.51 ? 513 CYS A CB 1 ATOM 4091 S SG . CYS A 1 513 ? 20.484 -15.348 20.936 1.00 17.57 ? 513 CYS A SG 1 ATOM 4092 N N . LEU A 1 514 ? 18.616 -12.300 21.191 1.00 13.92 ? 514 LEU A N 1 ATOM 4093 C CA . LEU A 1 514 ? 17.308 -12.289 21.845 1.00 14.12 ? 514 LEU A CA 1 ATOM 4094 C C . LEU A 1 514 ? 16.258 -11.614 20.956 1.00 14.94 ? 514 LEU A C 1 ATOM 4095 O O . LEU A 1 514 ? 15.150 -12.128 20.797 1.00 13.56 ? 514 LEU A O 1 ATOM 4096 C CB . LEU A 1 514 ? 17.403 -11.600 23.214 1.00 12.36 ? 514 LEU A CB 1 ATOM 4097 C CG . LEU A 1 514 ? 18.357 -12.276 24.215 1.00 13.88 ? 514 LEU A CG 1 ATOM 4098 C CD1 . LEU A 1 514 ? 18.485 -11.434 25.474 1.00 11.93 ? 514 LEU A CD1 1 ATOM 4099 C CD2 . LEU A 1 514 ? 17.851 -13.676 24.562 1.00 11.71 ? 514 LEU A CD2 1 ATOM 4100 N N . LEU A 1 515 ? 16.613 -10.482 20.353 1.00 15.54 ? 515 LEU A N 1 ATOM 4101 C CA . LEU A 1 515 ? 15.687 -9.779 19.469 1.00 16.10 ? 515 LEU A CA 1 ATOM 4102 C C . LEU A 1 515 ? 15.395 -10.592 18.215 1.00 14.78 ? 515 LEU A C 1 ATOM 4103 O O . LEU A 1 515 ? 14.234 -10.812 17.878 1.00 14.57 ? 515 LEU A O 1 ATOM 4104 C CB . LEU A 1 515 ? 16.257 -8.411 19.074 1.00 14.89 ? 515 LEU A CB 1 ATOM 4105 C CG . LEU A 1 515 ? 16.371 -7.476 20.279 1.00 16.98 ? 515 LEU A CG 1 ATOM 4106 C CD1 . LEU A 1 515 ? 17.219 -6.255 19.941 1.00 17.68 ? 515 LEU A CD1 1 ATOM 4107 C CD2 . LEU A 1 515 ? 14.974 -7.075 20.725 1.00 15.85 ? 515 LEU A CD2 1 ATOM 4108 N N . GLY A 1 516 ? 16.456 -11.036 17.540 1.00 14.49 ? 516 GLY A N 1 ATOM 4109 C CA . GLY A 1 516 ? 16.325 -11.813 16.319 1.00 13.37 ? 516 GLY A CA 1 ATOM 4110 C C . GLY A 1 516 ? 15.441 -13.042 16.422 1.00 13.82 ? 516 GLY A C 1 ATOM 4111 O O . GLY A 1 516 ? 14.590 -13.263 15.567 1.00 13.60 ? 516 GLY A O 1 ATOM 4112 N N . ARG A 1 517 ? 15.645 -13.854 17.454 1.00 16.80 ? 517 ARG A N 1 ATOM 4113 C CA . ARG A 1 517 ? 14.824 -15.048 17.639 1.00 20.09 ? 517 ARG A CA 1 ATOM 4114 C C . ARG A 1 517 ? 13.353 -14.708 17.831 1.00 18.82 ? 517 ARG A C 1 ATOM 4115 O O . ARG A 1 517 ? 12.485 -15.372 17.281 1.00 19.20 ? 517 ARG A O 1 ATOM 4116 C CB . ARG A 1 517 ? 15.268 -15.840 18.857 1.00 21.43 ? 517 ARG A CB 1 ATOM 4117 C CG . ARG A 1 517 ? 16.572 -16.557 18.732 1.00 27.71 ? 517 ARG A CG 1 ATOM 4118 C CD . ARG A 1 517 ? 16.703 -17.421 19.965 1.00 32.20 ? 517 ARG A CD 1 ATOM 4119 N NE . ARG A 1 517 ? 18.048 -17.928 20.194 1.00 36.93 ? 517 ARG A NE 1 ATOM 4120 C CZ . ARG A 1 517 ? 18.334 -19.216 20.342 1.00 39.16 ? 517 ARG A CZ 1 ATOM 4121 N NH1 . ARG A 1 517 ? 17.360 -20.120 20.272 1.00 40.53 ? 517 ARG A NH1 1 ATOM 4122 N NH2 . ARG A 1 517 ? 19.585 -19.595 20.584 1.00 39.34 ? 517 ARG A NH2 1 ATOM 4123 N N . GLN A 1 518 ? 13.076 -13.682 18.628 1.00 17.29 ? 518 GLN A N 1 ATOM 4124 C CA . GLN A 1 518 ? 11.696 -13.300 18.882 1.00 16.13 ? 518 GLN A CA 1 ATOM 4125 C C . GLN A 1 518 ? 10.975 -12.864 17.623 1.00 14.85 ? 518 GLN A C 1 ATOM 4126 O O . GLN A 1 518 ? 9.837 -13.265 17.385 1.00 14.33 ? 518 GLN A O 1 ATOM 4127 C CB . GLN A 1 518 ? 11.612 -12.167 19.902 1.00 15.41 ? 518 GLN A CB 1 ATOM 4128 C CG . GLN A 1 518 ? 10.172 -11.833 20.272 1.00 13.52 ? 518 GLN A CG 1 ATOM 4129 C CD . GLN A 1 518 ? 9.518 -12.941 21.074 1.00 14.38 ? 518 GLN A CD 1 ATOM 4130 O OE1 . GLN A 1 518 ? 9.869 -13.164 22.230 1.00 16.52 ? 518 GLN A OE1 1 ATOM 4131 N NE2 . GLN A 1 518 ? 8.569 -13.646 20.465 1.00 12.19 ? 518 GLN A NE2 1 ATOM 4132 N N . PHE A 1 519 ? 11.633 -12.028 16.827 1.00 14.13 ? 519 PHE A N 1 ATOM 4133 C CA . PHE A 1 519 ? 11.031 -11.540 15.595 1.00 15.32 ? 519 PHE A CA 1 ATOM 4134 C C . PHE A 1 519 ? 10.865 -12.650 14.553 1.00 15.89 ? 519 PHE A C 1 ATOM 4135 O O . PHE A 1 519 ? 9.916 -12.632 13.771 1.00 16.34 ? 519 PHE A O 1 ATOM 4136 C CB . PHE A 1 519 ? 11.837 -10.356 15.060 1.00 13.55 ? 519 PHE A CB 1 ATOM 4137 C CG . PHE A 1 519 ? 11.483 -9.040 15.720 1.00 15.84 ? 519 PHE A CG 1 ATOM 4138 C CD1 . PHE A 1 519 ? 10.253 -8.424 15.456 1.00 15.71 ? 519 PHE A CD1 1 ATOM 4139 C CD2 . PHE A 1 519 ? 12.361 -8.425 16.608 1.00 12.07 ? 519 PHE A CD2 1 ATOM 4140 C CE1 . PHE A 1 519 ? 9.908 -7.212 16.067 1.00 15.42 ? 519 PHE A CE1 1 ATOM 4141 C CE2 . PHE A 1 519 ? 12.027 -7.220 17.221 1.00 15.73 ? 519 PHE A CE2 1 ATOM 4142 C CZ . PHE A 1 519 ? 10.797 -6.610 16.951 1.00 14.47 ? 519 PHE A CZ 1 ATOM 4143 N N . GLN A 1 520 ? 11.767 -13.626 14.542 1.00 16.89 ? 520 GLN A N 1 ATOM 4144 C CA . GLN A 1 520 ? 11.609 -14.743 13.610 1.00 19.12 ? 520 GLN A CA 1 ATOM 4145 C C . GLN A 1 520 ? 10.319 -15.505 13.984 1.00 18.89 ? 520 GLN A C 1 ATOM 4146 O O . GLN A 1 520 ? 9.532 -15.876 13.114 1.00 18.75 ? 520 GLN A O 1 ATOM 4147 C CB . GLN A 1 520 ? 12.838 -15.671 13.667 1.00 19.54 ? 520 GLN A CB 1 ATOM 4148 C CG . GLN A 1 520 ? 12.685 -16.999 12.913 1.00 21.04 ? 520 GLN A CG 1 ATOM 4149 C CD . GLN A 1 520 ? 12.339 -18.153 13.846 1.00 24.40 ? 520 GLN A CD 1 ATOM 4150 O OE1 . GLN A 1 520 ? 11.456 -18.969 13.556 1.00 24.17 ? 520 GLN A OE1 1 ATOM 4151 N NE2 . GLN A 1 520 ? 13.040 -18.228 14.975 1.00 21.42 ? 520 GLN A NE2 1 ATOM 4152 N N . GLN A 1 521 ? 10.091 -15.695 15.283 1.00 17.28 ? 521 GLN A N 1 ATOM 4153 C CA . GLN A 1 521 ? 8.906 -16.408 15.770 1.00 18.65 ? 521 GLN A CA 1 ATOM 4154 C C . GLN A 1 521 ? 7.543 -15.732 15.549 1.00 18.69 ? 521 GLN A C 1 ATOM 4155 O O . GLN A 1 521 ? 6.569 -16.418 15.212 1.00 17.80 ? 521 GLN A O 1 ATOM 4156 C CB . GLN A 1 521 ? 9.065 -16.731 17.261 1.00 17.35 ? 521 GLN A CB 1 ATOM 4157 C CG . GLN A 1 521 ? 10.047 -17.847 17.566 1.00 17.20 ? 521 GLN A CG 1 ATOM 4158 C CD . GLN A 1 521 ? 10.276 -18.012 19.056 1.00 20.70 ? 521 GLN A CD 1 ATOM 4159 O OE1 . GLN A 1 521 ? 9.331 -17.971 19.855 1.00 22.56 ? 521 GLN A OE1 1 ATOM 4160 N NE2 . GLN A 1 521 ? 11.532 -18.206 19.442 1.00 21.10 ? 521 GLN A NE2 1 ATOM 4161 N N . ILE A 1 522 ? 7.444 -14.416 15.755 1.00 19.48 ? 522 ILE A N 1 ATOM 4162 C CA . ILE A 1 522 ? 6.149 -13.760 15.536 1.00 21.60 ? 522 ILE A CA 1 ATOM 4163 C C . ILE A 1 522 ? 5.848 -13.667 14.046 1.00 21.77 ? 522 ILE A C 1 ATOM 4164 O O . ILE A 1 522 ? 4.690 -13.513 13.646 1.00 22.90 ? 522 ILE A O 1 ATOM 4165 C CB . ILE A 1 522 ? 6.046 -12.342 16.179 1.00 22.83 ? 522 ILE A CB 1 ATOM 4166 C CG1 . ILE A 1 522 ? 7.065 -11.388 15.565 1.00 24.95 ? 522 ILE A CG1 1 ATOM 4167 C CG2 . ILE A 1 522 ? 6.243 -12.441 17.691 1.00 23.89 ? 522 ILE A CG2 1 ATOM 4168 C CD1 . ILE A 1 522 ? 6.846 -9.938 15.967 1.00 28.82 ? 522 ILE A CD1 1 ATOM 4169 N N . ARG A 1 523 ? 6.884 -13.753 13.217 1.00 20.87 ? 523 ARG A N 1 ATOM 4170 C CA . ARG A 1 523 ? 6.648 -13.740 11.784 1.00 20.93 ? 523 ARG A CA 1 ATOM 4171 C C . ARG A 1 523 ? 6.191 -15.155 11.401 1.00 21.40 ? 523 ARG A C 1 ATOM 4172 O O . ARG A 1 523 ? 5.089 -15.342 10.900 1.00 20.73 ? 523 ARG A O 1 ATOM 4173 C CB . ARG A 1 523 ? 7.910 -13.389 10.988 1.00 18.60 ? 523 ARG A CB 1 ATOM 4174 C CG . ARG A 1 523 ? 7.688 -13.549 9.483 1.00 19.65 ? 523 ARG A CG 1 ATOM 4175 C CD . ARG A 1 523 ? 8.959 -13.446 8.663 1.00 20.44 ? 523 ARG A CD 1 ATOM 4176 N NE . ARG A 1 523 ? 9.827 -14.604 8.843 1.00 18.97 ? 523 ARG A NE 1 ATOM 4177 C CZ . ARG A 1 523 ? 11.019 -14.730 8.268 1.00 20.49 ? 523 ARG A CZ 1 ATOM 4178 N NH1 . ARG A 1 523 ? 11.474 -13.767 7.478 1.00 19.71 ? 523 ARG A NH1 1 ATOM 4179 N NH2 . ARG A 1 523 ? 11.759 -15.811 8.491 1.00 21.21 ? 523 ARG A NH2 1 ATOM 4180 N N . ASP A 1 524 ? 7.035 -16.146 11.676 1.00 20.68 ? 524 ASP A N 1 ATOM 4181 C CA . ASP A 1 524 ? 6.750 -17.540 11.335 1.00 20.95 ? 524 ASP A CA 1 ATOM 4182 C C . ASP A 1 524 ? 5.529 -18.176 12.004 1.00 20.64 ? 524 ASP A C 1 ATOM 4183 O O . ASP A 1 524 ? 4.924 -19.091 11.443 1.00 19.13 ? 524 ASP A O 1 ATOM 4184 C CB . ASP A 1 524 ? 7.983 -18.405 11.619 1.00 21.22 ? 524 ASP A CB 1 ATOM 4185 C CG . ASP A 1 524 ? 9.143 -18.091 10.691 1.00 22.78 ? 524 ASP A CG 1 ATOM 4186 O OD1 . ASP A 1 524 ? 8.985 -17.226 9.804 1.00 23.14 ? 524 ASP A OD1 1 ATOM 4187 O OD2 . ASP A 1 524 ? 10.214 -18.710 10.846 1.00 25.19 ? 524 ASP A OD2 1 ATOM 4188 N N . GLY A 1 525 ? 5.166 -17.702 13.193 1.00 19.71 ? 525 GLY A N 1 ATOM 4189 C CA . GLY A 1 525 ? 4.033 -18.279 13.893 1.00 17.50 ? 525 GLY A CA 1 ATOM 4190 C C . GLY A 1 525 ? 2.734 -17.519 13.728 1.00 17.68 ? 525 GLY A C 1 ATOM 4191 O O . GLY A 1 525 ? 1.758 -17.806 14.418 1.00 17.13 ? 525 GLY A O 1 ATOM 4192 N N . ASP A 1 526 ? 2.712 -16.563 12.803 1.00 17.46 ? 526 ASP A N 1 ATOM 4193 C CA . ASP A 1 526 ? 1.524 -15.748 12.563 1.00 17.76 ? 526 ASP A CA 1 ATOM 4194 C C . ASP A 1 526 ? 0.804 -16.215 11.303 1.00 19.21 ? 526 ASP A C 1 ATOM 4195 O O . ASP A 1 526 ? 1.342 -16.121 10.198 1.00 18.92 ? 526 ASP A O 1 ATOM 4196 C CB . ASP A 1 526 ? 1.929 -14.265 12.445 1.00 17.04 ? 526 ASP A CB 1 ATOM 4197 C CG . ASP A 1 526 ? 0.734 -13.327 12.294 1.00 16.91 ? 526 ASP A CG 1 ATOM 4198 O OD1 . ASP A 1 526 ? -0.424 -13.775 12.445 1.00 19.89 ? 526 ASP A OD1 1 ATOM 4199 O OD2 . ASP A 1 526 ? 0.957 -12.125 12.035 1.00 15.26 ? 526 ASP A OD2 1 ATOM 4200 N N . ARG A 1 527 ? -0.414 -16.726 11.481 1.00 19.92 ? 527 ARG A N 1 ATOM 4201 C CA . ARG A 1 527 ? -1.217 -17.226 10.367 1.00 21.96 ? 527 ARG A CA 1 ATOM 4202 C C . ARG A 1 527 ? -1.635 -16.098 9.444 1.00 21.90 ? 527 ARG A C 1 ATOM 4203 O O . ARG A 1 527 ? -1.881 -16.316 8.259 1.00 22.16 ? 527 ARG A O 1 ATOM 4204 C CB . ARG A 1 527 ? -2.466 -17.962 10.882 1.00 21.49 ? 527 ARG A CB 1 ATOM 4205 C CG . ARG A 1 527 ? -3.378 -18.506 9.774 1.00 22.11 ? 527 ARG A CG 1 ATOM 4206 C CD . ARG A 1 527 ? -4.225 -19.694 10.248 1.00 22.94 ? 527 ARG A CD 1 ATOM 4207 N NE . ARG A 1 527 ? -5.255 -19.315 11.212 1.00 24.34 ? 527 ARG A NE 1 ATOM 4208 C CZ . ARG A 1 527 ? -6.400 -18.723 10.892 1.00 25.22 ? 527 ARG A CZ 1 ATOM 4209 N NH1 . ARG A 1 527 ? -6.669 -18.444 9.626 1.00 27.58 ? 527 ARG A NH1 1 ATOM 4210 N NH2 . ARG A 1 527 ? -7.272 -18.397 11.839 1.00 25.11 ? 527 ARG A NH2 1 ATOM 4211 N N . PHE A 1 528 ? -1.709 -14.887 9.985 1.00 22.26 ? 528 PHE A N 1 ATOM 4212 C CA . PHE A 1 528 ? -2.102 -13.749 9.179 1.00 22.18 ? 528 PHE A CA 1 ATOM 4213 C C . PHE A 1 528 ? -0.924 -12.886 8.710 1.00 22.09 ? 528 PHE A C 1 ATOM 4214 O O . PHE A 1 528 ? -1.117 -11.743 8.291 1.00 21.78 ? 528 PHE A O 1 ATOM 4215 C CB . PHE A 1 528 ? -3.151 -12.903 9.929 1.00 23.31 ? 528 PHE A CB 1 ATOM 4216 C CG . PHE A 1 528 ? -4.478 -13.607 10.116 1.00 23.15 ? 528 PHE A CG 1 ATOM 4217 C CD1 . PHE A 1 528 ? -4.715 -14.404 11.237 1.00 23.00 ? 528 PHE A CD1 1 ATOM 4218 C CD2 . PHE A 1 528 ? -5.479 -13.499 9.149 1.00 23.37 ? 528 PHE A CD2 1 ATOM 4219 C CE1 . PHE A 1 528 ? -5.931 -15.086 11.393 1.00 23.73 ? 528 PHE A CE1 1 ATOM 4220 C CE2 . PHE A 1 528 ? -6.699 -14.175 9.292 1.00 23.88 ? 528 PHE A CE2 1 ATOM 4221 C CZ . PHE A 1 528 ? -6.925 -14.972 10.417 1.00 24.55 ? 528 PHE A CZ 1 ATOM 4222 N N . TRP A 1 529 ? 0.295 -13.423 8.767 1.00 21.38 ? 529 TRP A N 1 ATOM 4223 C CA . TRP A 1 529 ? 1.443 -12.658 8.286 1.00 21.70 ? 529 TRP A CA 1 ATOM 4224 C C . TRP A 1 529 ? 1.117 -12.293 6.823 1.00 22.91 ? 529 TRP A C 1 ATOM 4225 O O . TRP A 1 529 ? 0.655 -13.133 6.046 1.00 22.78 ? 529 TRP A O 1 ATOM 4226 C CB . TRP A 1 529 ? 2.734 -13.483 8.388 1.00 20.63 ? 529 TRP A CB 1 ATOM 4227 C CG . TRP A 1 529 ? 3.966 -12.736 7.919 1.00 20.64 ? 529 TRP A CG 1 ATOM 4228 C CD1 . TRP A 1 529 ? 4.596 -12.872 6.716 1.00 21.13 ? 529 TRP A CD1 1 ATOM 4229 C CD2 . TRP A 1 529 ? 4.672 -11.699 8.625 1.00 20.20 ? 529 TRP A CD2 1 ATOM 4230 N NE1 . TRP A 1 529 ? 5.645 -11.984 6.622 1.00 21.40 ? 529 TRP A NE1 1 ATOM 4231 C CE2 . TRP A 1 529 ? 5.713 -11.250 7.777 1.00 20.44 ? 529 TRP A CE2 1 ATOM 4232 C CE3 . TRP A 1 529 ? 4.520 -11.101 9.885 1.00 19.02 ? 529 TRP A CE3 1 ATOM 4233 C CZ2 . TRP A 1 529 ? 6.605 -10.235 8.151 1.00 19.41 ? 529 TRP A CZ2 1 ATOM 4234 C CZ3 . TRP A 1 529 ? 5.407 -10.088 10.258 1.00 20.24 ? 529 TRP A CZ3 1 ATOM 4235 C CH2 . TRP A 1 529 ? 6.435 -9.665 9.390 1.00 20.89 ? 529 TRP A CH2 1 ATOM 4236 N N . TRP A 1 530 ? 1.355 -11.033 6.469 1.00 23.23 ? 530 TRP A N 1 ATOM 4237 C CA . TRP A 1 530 ? 1.032 -10.485 5.151 1.00 23.86 ? 530 TRP A CA 1 ATOM 4238 C C . TRP A 1 530 ? 1.505 -11.231 3.900 1.00 25.45 ? 530 TRP A C 1 ATOM 4239 O O . TRP A 1 530 ? 0.880 -11.123 2.839 1.00 26.28 ? 530 TRP A O 1 ATOM 4240 C CB . TRP A 1 530 ? 1.498 -9.028 5.077 1.00 21.26 ? 530 TRP A CB 1 ATOM 4241 C CG . TRP A 1 530 ? 2.965 -8.858 4.791 1.00 21.60 ? 530 TRP A CG 1 ATOM 4242 C CD1 . TRP A 1 530 ? 4.000 -8.925 5.684 1.00 22.01 ? 530 TRP A CD1 1 ATOM 4243 C CD2 . TRP A 1 530 ? 3.555 -8.580 3.515 1.00 21.15 ? 530 TRP A CD2 1 ATOM 4244 N NE1 . TRP A 1 530 ? 5.196 -8.707 5.040 1.00 21.29 ? 530 TRP A NE1 1 ATOM 4245 C CE2 . TRP A 1 530 ? 4.952 -8.496 3.708 1.00 21.04 ? 530 TRP A CE2 1 ATOM 4246 C CE3 . TRP A 1 530 ? 3.038 -8.407 2.223 1.00 21.14 ? 530 TRP A CE3 1 ATOM 4247 C CZ2 . TRP A 1 530 ? 5.839 -8.231 2.657 1.00 22.33 ? 530 TRP A CZ2 1 ATOM 4248 C CZ3 . TRP A 1 530 ? 3.918 -8.147 1.180 1.00 20.33 ? 530 TRP A CZ3 1 ATOM 4249 C CH2 . TRP A 1 530 ? 5.303 -8.065 1.403 1.00 21.63 ? 530 TRP A CH2 1 ATOM 4250 N N . GLU A 1 531 ? 2.605 -11.965 4.019 1.00 25.63 ? 531 GLU A N 1 ATOM 4251 C CA . GLU A 1 531 ? 3.153 -12.728 2.900 1.00 27.38 ? 531 GLU A CA 1 ATOM 4252 C C . GLU A 1 531 ? 2.636 -14.156 2.895 1.00 27.09 ? 531 GLU A C 1 ATOM 4253 O O . GLU A 1 531 ? 2.945 -14.929 1.987 1.00 28.41 ? 531 GLU A O 1 ATOM 4254 C CB . GLU A 1 531 ? 4.672 -12.807 2.987 1.00 29.05 ? 531 GLU A CB 1 ATOM 4255 C CG . GLU A 1 531 ? 5.421 -11.538 2.699 1.00 33.08 ? 531 GLU A CG 1 ATOM 4256 C CD . GLU A 1 531 ? 6.889 -11.678 3.042 1.00 34.74 ? 531 GLU A CD 1 ATOM 4257 O OE1 . GLU A 1 531 ? 7.211 -11.845 4.245 1.00 34.43 ? 531 GLU A OE1 1 ATOM 4258 O OE2 . GLU A 1 531 ? 7.715 -11.631 2.106 1.00 35.96 ? 531 GLU A OE2 1 ATOM 4259 N N . ASN A 1 532 ? 1.892 -14.529 3.928 1.00 26.13 ? 532 ASN A N 1 ATOM 4260 C CA . ASN A 1 532 ? 1.373 -15.881 3.975 1.00 26.12 ? 532 ASN A CA 1 ATOM 4261 C C . ASN A 1 532 ? 0.328 -16.027 2.876 1.00 26.17 ? 532 ASN A C 1 ATOM 4262 O O . ASN A 1 532 ? -0.684 -15.320 2.870 1.00 25.25 ? 532 ASN A O 1 ATOM 4263 C CB . ASN A 1 532 ? 0.764 -16.189 5.341 1.00 24.28 ? 532 ASN A CB 1 ATOM 4264 C CG . ASN A 1 532 ? 0.359 -17.641 5.471 1.00 25.57 ? 532 ASN A CG 1 ATOM 4265 O OD1 . ASN A 1 532 ? 1.040 -18.532 4.959 1.00 26.19 ? 532 ASN A OD1 1 ATOM 4266 N ND2 . ASN A 1 532 ? -0.745 -17.894 6.165 1.00 24.89 ? 532 ASN A ND2 1 ATOM 4267 N N . PRO A 1 533 ? 0.577 -16.934 1.912 1.00 26.29 ? 533 PRO A N 1 ATOM 4268 C CA . PRO A 1 533 ? -0.339 -17.180 0.792 1.00 26.09 ? 533 PRO A CA 1 ATOM 4269 C C . PRO A 1 533 ? -1.799 -17.246 1.233 1.00 24.66 ? 533 PRO A C 1 ATOM 4270 O O . PRO A 1 533 ? -2.138 -17.966 2.169 1.00 24.12 ? 533 PRO A O 1 ATOM 4271 C CB . PRO A 1 533 ? 0.158 -18.510 0.238 1.00 26.59 ? 533 PRO A CB 1 ATOM 4272 C CG . PRO A 1 533 ? 1.644 -18.393 0.424 1.00 26.99 ? 533 PRO A CG 1 ATOM 4273 C CD . PRO A 1 533 ? 1.756 -17.819 1.829 1.00 27.08 ? 533 PRO A CD 1 ATOM 4274 N N . GLY A 1 534 ? -2.659 -16.488 0.563 1.00 23.46 ? 534 GLY A N 1 ATOM 4275 C CA . GLY A 1 534 ? -4.064 -16.501 0.921 1.00 23.09 ? 534 GLY A CA 1 ATOM 4276 C C . GLY A 1 534 ? -4.519 -15.361 1.819 1.00 23.90 ? 534 GLY A C 1 ATOM 4277 O O . GLY A 1 534 ? -5.720 -15.128 1.946 1.00 24.80 ? 534 GLY A O 1 ATOM 4278 N N . VAL A 1 535 ? -3.583 -14.661 2.459 1.00 22.80 ? 535 VAL A N 1 ATOM 4279 C CA . VAL A 1 535 ? -3.950 -13.538 3.324 1.00 20.89 ? 535 VAL A CA 1 ATOM 4280 C C . VAL A 1 535 ? -4.316 -12.349 2.434 1.00 21.06 ? 535 VAL A C 1 ATOM 4281 O O . VAL A 1 535 ? -5.361 -11.731 2.619 1.00 19.84 ? 535 VAL A O 1 ATOM 4282 C CB . VAL A 1 535 ? -2.800 -13.190 4.300 1.00 20.86 ? 535 VAL A CB 1 ATOM 4283 C CG1 . VAL A 1 535 ? -3.094 -11.890 5.031 1.00 18.01 ? 535 VAL A CG1 1 ATOM 4284 C CG2 . VAL A 1 535 ? -2.631 -14.329 5.302 1.00 19.58 ? 535 VAL A CG2 1 ATOM 4285 N N . PHE A 1 536 ? -3.450 -12.033 1.474 1.00 22.18 ? 536 PHE A N 1 ATOM 4286 C CA . PHE A 1 536 ? -3.715 -10.979 0.490 1.00 23.59 ? 536 PHE A CA 1 ATOM 4287 C C . PHE A 1 536 ? -3.520 -11.681 -0.844 1.00 23.88 ? 536 PHE A C 1 ATOM 4288 O O . PHE A 1 536 ? -2.932 -12.760 -0.892 1.00 23.83 ? 536 PHE A O 1 ATOM 4289 C CB . PHE A 1 536 ? -2.711 -9.819 0.574 1.00 23.96 ? 536 PHE A CB 1 ATOM 4290 C CG . PHE A 1 536 ? -2.872 -8.958 1.789 1.00 25.19 ? 536 PHE A CG 1 ATOM 4291 C CD1 . PHE A 1 536 ? -2.034 -9.122 2.883 1.00 25.07 ? 536 PHE A CD1 1 ATOM 4292 C CD2 . PHE A 1 536 ? -3.875 -7.994 1.850 1.00 24.64 ? 536 PHE A CD2 1 ATOM 4293 C CE1 . PHE A 1 536 ? -2.189 -8.338 4.028 1.00 24.31 ? 536 PHE A CE1 1 ATOM 4294 C CE2 . PHE A 1 536 ? -4.038 -7.206 2.993 1.00 26.26 ? 536 PHE A CE2 1 ATOM 4295 C CZ . PHE A 1 536 ? -3.190 -7.382 4.084 1.00 23.88 ? 536 PHE A CZ 1 ATOM 4296 N N . THR A 1 537 ? -4.016 -11.088 -1.922 1.00 24.14 ? 537 THR A N 1 ATOM 4297 C CA . THR A 1 537 ? -3.831 -11.683 -3.237 1.00 25.17 ? 537 THR A CA 1 ATOM 4298 C C . THR A 1 537 ? -2.472 -11.222 -3.767 1.00 27.47 ? 537 THR A C 1 ATOM 4299 O O . THR A 1 537 ? -1.896 -10.253 -3.266 1.00 27.47 ? 537 THR A O 1 ATOM 4300 C CB . THR A 1 537 ? -4.916 -11.225 -4.218 1.00 24.29 ? 537 THR A CB 1 ATOM 4301 O OG1 . THR A 1 537 ? -4.809 -9.810 -4.408 1.00 22.45 ? 537 THR A OG1 1 ATOM 4302 C CG2 . THR A 1 537 ? -6.298 -11.566 -3.682 1.00 22.29 ? 537 THR A CG2 1 ATOM 4303 N N . GLU A 1 538 ? -1.951 -11.925 -4.766 1.00 30.07 ? 538 GLU A N 1 ATOM 4304 C CA . GLU A 1 538 ? -0.675 -11.560 -5.356 1.00 32.70 ? 538 GLU A CA 1 ATOM 4305 C C . GLU A 1 538 ? -0.663 -10.084 -5.771 1.00 32.46 ? 538 GLU A C 1 ATOM 4306 O O . GLU A 1 538 ? 0.333 -9.385 -5.580 1.00 33.09 ? 538 GLU A O 1 ATOM 4307 C CB . GLU A 1 538 ? -0.383 -12.458 -6.568 1.00 35.09 ? 538 GLU A CB 1 ATOM 4308 C CG . GLU A 1 538 ? 0.296 -13.793 -6.216 1.00 40.35 ? 538 GLU A CG 1 ATOM 4309 C CD . GLU A 1 538 ? 0.047 -14.899 -7.246 1.00 43.39 ? 538 GLU A CD 1 ATOM 4310 O OE1 . GLU A 1 538 ? -0.109 -14.586 -8.450 1.00 44.86 ? 538 GLU A OE1 1 ATOM 4311 O OE2 . GLU A 1 538 ? 0.018 -16.086 -6.846 1.00 44.94 ? 538 GLU A OE2 1 ATOM 4312 N N . LYS A 1 539 ? -1.777 -9.603 -6.311 1.00 31.66 ? 539 LYS A N 1 ATOM 4313 C CA . LYS A 1 539 ? -1.850 -8.218 -6.760 1.00 32.22 ? 539 LYS A CA 1 ATOM 4314 C C . LYS A 1 539 ? -1.907 -7.229 -5.597 1.00 30.43 ? 539 LYS A C 1 ATOM 4315 O O . LYS A 1 539 ? -1.432 -6.097 -5.713 1.00 29.82 ? 539 LYS A O 1 ATOM 4316 C CB . LYS A 1 539 ? -3.055 -8.043 -7.679 1.00 35.11 ? 539 LYS A CB 1 ATOM 4317 C CG . LYS A 1 539 ? -2.834 -7.058 -8.809 1.00 38.84 ? 539 LYS A CG 1 ATOM 4318 C CD . LYS A 1 539 ? -3.976 -7.140 -9.817 1.00 42.26 ? 539 LYS A CD 1 ATOM 4319 C CE . LYS A 1 539 ? -4.020 -5.919 -10.731 1.00 44.72 ? 539 LYS A CE 1 ATOM 4320 N NZ . LYS A 1 539 ? -5.299 -5.873 -11.505 1.00 45.53 ? 539 LYS A NZ 1 ATOM 4321 N N . GLN A 1 540 ? -2.496 -7.651 -4.482 1.00 28.97 ? 540 GLN A N 1 ATOM 4322 C CA . GLN A 1 540 ? -2.565 -6.798 -3.301 1.00 28.12 ? 540 GLN A CA 1 ATOM 4323 C C . GLN A 1 540 ? -1.167 -6.715 -2.686 1.00 28.40 ? 540 GLN A C 1 ATOM 4324 O O . GLN A 1 540 ? -0.712 -5.633 -2.318 1.00 27.75 ? 540 GLN A O 1 ATOM 4325 C CB . GLN A 1 540 ? -3.556 -7.361 -2.274 1.00 27.65 ? 540 GLN A CB 1 ATOM 4326 C CG . GLN A 1 540 ? -5.016 -7.118 -2.620 1.00 26.00 ? 540 GLN A CG 1 ATOM 4327 C CD . GLN A 1 540 ? -5.967 -7.873 -1.712 1.00 25.50 ? 540 GLN A CD 1 ATOM 4328 O OE1 . GLN A 1 540 ? -5.556 -8.765 -0.972 1.00 24.54 ? 540 GLN A OE1 1 ATOM 4329 N NE2 . GLN A 1 540 ? -7.248 -7.531 -1.777 1.00 24.56 ? 540 GLN A NE2 1 ATOM 4330 N N . ARG A 1 541 ? -0.484 -7.855 -2.584 1.00 28.13 ? 541 ARG A N 1 ATOM 4331 C CA . ARG A 1 541 ? 0.867 -7.882 -2.020 1.00 29.87 ? 541 ARG A CA 1 ATOM 4332 C C . ARG A 1 541 ? 1.803 -7.024 -2.853 1.00 31.99 ? 541 ARG A C 1 ATOM 4333 O O . ARG A 1 541 ? 2.709 -6.361 -2.339 1.00 31.89 ? 541 ARG A O 1 ATOM 4334 C CB . ARG A 1 541 ? 1.416 -9.308 -1.984 1.00 28.71 ? 541 ARG A CB 1 ATOM 4335 C CG . ARG A 1 541 ? 0.771 -10.198 -0.947 1.00 30.16 ? 541 ARG A CG 1 ATOM 4336 C CD . ARG A 1 541 ? 1.704 -11.335 -0.563 1.00 30.80 ? 541 ARG A CD 1 ATOM 4337 N NE . ARG A 1 541 ? 1.900 -12.283 -1.655 1.00 33.16 ? 541 ARG A NE 1 ATOM 4338 C CZ . ARG A 1 541 ? 1.041 -13.247 -1.974 1.00 33.13 ? 541 ARG A CZ 1 ATOM 4339 N NH1 . ARG A 1 541 ? -0.081 -13.399 -1.279 1.00 29.63 ? 541 ARG A NH1 1 ATOM 4340 N NH2 . ARG A 1 541 ? 1.305 -14.058 -2.991 1.00 32.96 ? 541 ARG A NH2 1 ATOM 4341 N N . ASP A 1 542 ? 1.570 -7.057 -4.155 1.00 34.52 ? 542 ASP A N 1 ATOM 4342 C CA . ASP A 1 542 ? 2.365 -6.307 -5.106 1.00 35.49 ? 542 ASP A CA 1 ATOM 4343 C C . ASP A 1 542 ? 2.212 -4.811 -4.836 1.00 34.57 ? 542 ASP A C 1 ATOM 4344 O O . ASP A 1 542 ? 3.164 -4.041 -4.978 1.00 33.38 ? 542 ASP A O 1 ATOM 4345 C CB . ASP A 1 542 ? 1.896 -6.651 -6.515 1.00 38.86 ? 542 ASP A CB 1 ATOM 4346 C CG . ASP A 1 542 ? 3.010 -6.593 -7.523 1.00 42.02 ? 542 ASP A CG 1 ATOM 4347 O OD1 . ASP A 1 542 ? 3.523 -5.478 -7.769 1.00 43.11 ? 542 ASP A OD1 1 ATOM 4348 O OD2 . ASP A 1 542 ? 3.371 -7.668 -8.059 1.00 44.05 ? 542 ASP A OD2 1 ATOM 4349 N N . SER A 1 543 ? 1.009 -4.405 -4.447 1.00 32.19 ? 543 SER A N 1 ATOM 4350 C CA . SER A 1 543 ? 0.751 -3.010 -4.140 1.00 32.42 ? 543 SER A CA 1 ATOM 4351 C C . SER A 1 543 ? 1.314 -2.634 -2.766 1.00 31.88 ? 543 SER A C 1 ATOM 4352 O O . SER A 1 543 ? 1.790 -1.518 -2.570 1.00 31.89 ? 543 SER A O 1 ATOM 4353 C CB . SER A 1 543 ? -0.752 -2.730 -4.165 1.00 33.03 ? 543 SER A CB 1 ATOM 4354 O OG . SER A 1 543 ? -1.014 -1.422 -3.679 1.00 38.95 ? 543 SER A OG 1 ATOM 4355 N N . LEU A 1 544 ? 1.268 -3.575 -1.827 1.00 31.33 ? 544 LEU A N 1 ATOM 4356 C CA . LEU A 1 544 ? 1.747 -3.331 -0.475 1.00 31.31 ? 544 LEU A CA 1 ATOM 4357 C C . LEU A 1 544 ? 3.249 -3.125 -0.332 1.00 32.04 ? 544 LEU A C 1 ATOM 4358 O O . LEU A 1 544 ? 3.673 -2.409 0.565 1.00 31.95 ? 544 LEU A O 1 ATOM 4359 C CB . LEU A 1 544 ? 1.278 -4.449 0.457 1.00 30.26 ? 544 LEU A CB 1 ATOM 4360 C CG . LEU A 1 544 ? -0.187 -4.342 0.885 1.00 28.18 ? 544 LEU A CG 1 ATOM 4361 C CD1 . LEU A 1 544 ? -0.641 -5.654 1.486 1.00 27.63 ? 544 LEU A CD1 1 ATOM 4362 C CD2 . LEU A 1 544 ? -0.345 -3.205 1.880 1.00 29.73 ? 544 LEU A CD2 1 ATOM 4363 N N . GLN A 1 545 ? 4.061 -3.725 -1.199 1.00 33.80 ? 545 GLN A N 1 ATOM 4364 C CA . GLN A 1 545 ? 5.501 -3.525 -1.074 1.00 35.03 ? 545 GLN A CA 1 ATOM 4365 C C . GLN A 1 545 ? 5.962 -2.118 -1.420 1.00 34.14 ? 545 GLN A C 1 ATOM 4366 O O . GLN A 1 545 ? 7.133 -1.789 -1.253 1.00 33.85 ? 545 GLN A O 1 ATOM 4367 C CB . GLN A 1 545 ? 6.292 -4.553 -1.896 1.00 37.80 ? 545 GLN A CB 1 ATOM 4368 C CG . GLN A 1 545 ? 5.639 -5.054 -3.158 1.00 43.14 ? 545 GLN A CG 1 ATOM 4369 C CD . GLN A 1 545 ? 6.119 -6.455 -3.503 1.00 46.90 ? 545 GLN A CD 1 ATOM 4370 O OE1 . GLN A 1 545 ? 6.134 -7.342 -2.643 1.00 48.26 ? 545 GLN A OE1 1 ATOM 4371 N NE2 . GLN A 1 545 ? 6.510 -6.664 -4.761 1.00 49.06 ? 545 GLN A NE2 1 ATOM 4372 N N . LYS A 1 546 ? 5.049 -1.270 -1.876 1.00 33.42 ? 546 LYS A N 1 ATOM 4373 C CA . LYS A 1 546 ? 5.446 0.092 -2.203 1.00 33.81 ? 546 LYS A CA 1 ATOM 4374 C C . LYS A 1 546 ? 5.167 1.088 -1.086 1.00 31.82 ? 546 LYS A C 1 ATOM 4375 O O . LYS A 1 546 ? 5.407 2.283 -1.251 1.00 32.74 ? 546 LYS A O 1 ATOM 4376 C CB . LYS A 1 546 ? 4.779 0.552 -3.504 1.00 35.58 ? 546 LYS A CB 1 ATOM 4377 C CG . LYS A 1 546 ? 5.487 0.024 -4.747 1.00 38.64 ? 546 LYS A CG 1 ATOM 4378 C CD . LYS A 1 546 ? 4.880 0.578 -6.024 1.00 41.71 ? 546 LYS A CD 1 ATOM 4379 C CE . LYS A 1 546 ? 5.854 0.459 -7.197 1.00 42.96 ? 546 LYS A CE 1 ATOM 4380 N NZ . LYS A 1 546 ? 6.061 -0.946 -7.651 1.00 44.75 ? 546 LYS A NZ 1 ATOM 4381 N N . VAL A 1 547 ? 4.674 0.608 0.052 1.00 29.52 ? 547 VAL A N 1 ATOM 4382 C CA . VAL A 1 547 ? 4.395 1.512 1.160 1.00 26.56 ? 547 VAL A CA 1 ATOM 4383 C C . VAL A 1 547 ? 5.707 2.005 1.743 1.00 24.23 ? 547 VAL A C 1 ATOM 4384 O O . VAL A 1 547 ? 6.742 1.357 1.610 1.00 22.65 ? 547 VAL A O 1 ATOM 4385 C CB . VAL A 1 547 ? 3.573 0.832 2.292 1.00 27.41 ? 547 VAL A CB 1 ATOM 4386 C CG1 . VAL A 1 547 ? 2.235 0.354 1.745 1.00 26.11 ? 547 VAL A CG1 1 ATOM 4387 C CG2 . VAL A 1 547 ? 4.359 -0.321 2.906 1.00 25.04 ? 547 VAL A CG2 1 ATOM 4388 N N . SER A 1 548 ? 5.652 3.171 2.365 1.00 23.54 ? 548 SER A N 1 ATOM 4389 C CA . SER A 1 548 ? 6.814 3.760 2.999 1.00 24.33 ? 548 SER A CA 1 ATOM 4390 C C . SER A 1 548 ? 6.285 4.725 4.036 1.00 24.55 ? 548 SER A C 1 ATOM 4391 O O . SER A 1 548 ? 5.159 5.217 3.927 1.00 24.46 ? 548 SER A O 1 ATOM 4392 C CB . SER A 1 548 ? 7.670 4.514 1.979 1.00 25.02 ? 548 SER A CB 1 ATOM 4393 O OG . SER A 1 548 ? 6.965 5.625 1.464 1.00 24.42 ? 548 SER A OG 1 ATOM 4394 N N . PHE A 1 549 ? 7.092 4.991 5.051 1.00 24.21 ? 549 PHE A N 1 ATOM 4395 C CA . PHE A 1 549 ? 6.676 5.916 6.079 1.00 23.20 ? 549 PHE A CA 1 ATOM 4396 C C . PHE A 1 549 ? 6.598 7.315 5.470 1.00 21.70 ? 549 PHE A C 1 ATOM 4397 O O . PHE A 1 549 ? 5.779 8.136 5.883 1.00 20.21 ? 549 PHE A O 1 ATOM 4398 C CB . PHE A 1 549 ? 7.660 5.899 7.250 1.00 24.88 ? 549 PHE A CB 1 ATOM 4399 C CG . PHE A 1 549 ? 7.071 6.416 8.522 1.00 25.34 ? 549 PHE A CG 1 ATOM 4400 C CD1 . PHE A 1 549 ? 6.336 5.583 9.354 1.00 26.05 ? 549 PHE A CD1 1 ATOM 4401 C CD2 . PHE A 1 549 ? 7.187 7.757 8.852 1.00 25.38 ? 549 PHE A CD2 1 ATOM 4402 C CE1 . PHE A 1 549 ? 5.722 6.084 10.499 1.00 26.78 ? 549 PHE A CE1 1 ATOM 4403 C CE2 . PHE A 1 549 ? 6.578 8.267 9.990 1.00 25.13 ? 549 PHE A CE2 1 ATOM 4404 C CZ . PHE A 1 549 ? 5.843 7.429 10.814 1.00 25.62 ? 549 PHE A CZ 1 ATOM 4405 N N . SER A 1 550 ? 7.448 7.583 4.484 1.00 21.25 ? 550 SER A N 1 ATOM 4406 C CA . SER A 1 550 ? 7.439 8.884 3.819 1.00 22.82 ? 550 SER A CA 1 ATOM 4407 C C . SER A 1 550 ? 6.045 9.169 3.266 1.00 22.59 ? 550 SER A C 1 ATOM 4408 O O . SER A 1 550 ? 5.477 10.237 3.510 1.00 23.98 ? 550 SER A O 1 ATOM 4409 C CB . SER A 1 550 ? 8.453 8.911 2.675 1.00 24.21 ? 550 SER A CB 1 ATOM 4410 O OG . SER A 1 550 ? 9.765 8.682 3.157 1.00 29.28 ? 550 SER A OG 1 ATOM 4411 N N . ARG A 1 551 ? 5.490 8.203 2.536 1.00 21.64 ? 551 ARG A N 1 ATOM 4412 C CA . ARG A 1 551 ? 4.160 8.353 1.957 1.00 21.33 ? 551 ARG A CA 1 ATOM 4413 C C . ARG A 1 551 ? 3.099 8.559 3.042 1.00 21.55 ? 551 ARG A C 1 ATOM 4414 O O . ARG A 1 551 ? 2.177 9.369 2.878 1.00 20.63 ? 551 ARG A O 1 ATOM 4415 C CB . ARG A 1 551 ? 3.805 7.123 1.117 1.00 21.51 ? 551 ARG A CB 1 ATOM 4416 C CG . ARG A 1 551 ? 2.500 7.262 0.336 1.00 24.94 ? 551 ARG A CG 1 ATOM 4417 C CD . ARG A 1 551 ? 2.667 8.223 -0.830 1.00 26.62 ? 551 ARG A CD 1 ATOM 4418 N NE . ARG A 1 551 ? 1.696 9.309 -0.789 1.00 30.05 ? 551 ARG A NE 1 ATOM 4419 C CZ . ARG A 1 551 ? 1.762 10.398 -1.549 1.00 29.97 ? 551 ARG A CZ 1 ATOM 4420 N NH1 . ARG A 1 551 ? 2.756 10.549 -2.418 1.00 29.89 ? 551 ARG A NH1 1 ATOM 4421 N NH2 . ARG A 1 551 ? 0.838 11.340 -1.427 1.00 30.54 ? 551 ARG A NH2 1 ATOM 4422 N N . LEU A 1 552 ? 3.222 7.819 4.142 1.00 20.22 ? 552 LEU A N 1 ATOM 4423 C CA . LEU A 1 552 ? 2.273 7.952 5.241 1.00 21.69 ? 552 LEU A CA 1 ATOM 4424 C C . LEU A 1 552 ? 2.243 9.410 5.696 1.00 22.03 ? 552 LEU A C 1 ATOM 4425 O O . LEU A 1 552 ? 1.175 9.962 5.951 1.00 23.60 ? 552 LEU A O 1 ATOM 4426 C CB . LEU A 1 552 ? 2.674 7.063 6.420 1.00 23.27 ? 552 LEU A CB 1 ATOM 4427 C CG . LEU A 1 552 ? 1.722 7.062 7.625 1.00 25.21 ? 552 LEU A CG 1 ATOM 4428 C CD1 . LEU A 1 552 ? 0.714 5.928 7.480 1.00 24.97 ? 552 LEU A CD1 1 ATOM 4429 C CD2 . LEU A 1 552 ? 2.520 6.873 8.912 1.00 26.20 ? 552 LEU A CD2 1 ATOM 4430 N N . ILE A 1 553 ? 3.414 10.032 5.805 1.00 21.86 ? 553 ILE A N 1 ATOM 4431 C CA . ILE A 1 553 ? 3.477 11.430 6.215 1.00 23.42 ? 553 ILE A CA 1 ATOM 4432 C C . ILE A 1 553 ? 2.768 12.301 5.165 1.00 23.65 ? 553 ILE A C 1 ATOM 4433 O O . ILE A 1 553 ? 1.846 13.038 5.496 1.00 22.96 ? 553 ILE A O 1 ATOM 4434 C CB . ILE A 1 553 ? 4.952 11.894 6.411 1.00 24.79 ? 553 ILE A CB 1 ATOM 4435 C CG1 . ILE A 1 553 ? 5.557 11.202 7.640 1.00 26.97 ? 553 ILE A CG1 1 ATOM 4436 C CG2 . ILE A 1 553 ? 5.020 13.409 6.583 1.00 24.48 ? 553 ILE A CG2 1 ATOM 4437 C CD1 . ILE A 1 553 ? 4.775 11.430 8.943 1.00 30.50 ? 553 ILE A CD1 1 ATOM 4438 N N . CYS A 1 554 ? 3.183 12.188 3.905 1.00 24.00 ? 554 CYS A N 1 ATOM 4439 C CA . CYS A 1 554 ? 2.592 12.952 2.804 1.00 24.96 ? 554 CYS A CA 1 ATOM 4440 C C . CYS A 1 554 ? 1.064 12.934 2.766 1.00 25.65 ? 554 CYS A C 1 ATOM 4441 O O . CYS A 1 554 ? 0.437 13.969 2.562 1.00 26.87 ? 554 CYS A O 1 ATOM 4442 C CB . CYS A 1 554 ? 3.104 12.428 1.463 1.00 24.50 ? 554 CYS A CB 1 ATOM 4443 S SG . CYS A 1 554 ? 4.857 12.734 1.130 1.00 27.94 ? 554 CYS A SG 1 ATOM 4444 N N . ASP A 1 555 ? 0.476 11.756 2.962 1.00 25.41 ? 555 ASP A N 1 ATOM 4445 C CA . ASP A 1 555 ? -0.974 11.580 2.919 1.00 24.90 ? 555 ASP A CA 1 ATOM 4446 C C . ASP A 1 555 ? -1.732 12.028 4.148 1.00 25.93 ? 555 ASP A C 1 ATOM 4447 O O . ASP A 1 555 ? -2.934 12.273 4.067 1.00 27.32 ? 555 ASP A O 1 ATOM 4448 C CB . ASP A 1 555 ? -1.350 10.108 2.735 1.00 24.97 ? 555 ASP A CB 1 ATOM 4449 C CG . ASP A 1 555 ? -1.017 9.569 1.367 1.00 26.12 ? 555 ASP A CG 1 ATOM 4450 O OD1 . ASP A 1 555 ? -0.797 10.368 0.427 1.00 27.00 ? 555 ASP A OD1 1 ATOM 4451 O OD2 . ASP A 1 555 ? -0.993 8.326 1.238 1.00 24.54 ? 555 ASP A OD2 1 ATOM 4452 N N . ASN A 1 556 ? -1.054 12.110 5.289 1.00 25.02 ? 556 ASN A N 1 ATOM 4453 C CA . ASN A 1 556 ? -1.773 12.442 6.532 1.00 23.07 ? 556 ASN A CA 1 ATOM 4454 C C . ASN A 1 556 ? -1.286 13.679 7.286 1.00 23.75 ? 556 ASN A C 1 ATOM 4455 O O . ASN A 1 556 ? -1.540 13.820 8.476 1.00 24.61 ? 556 ASN A O 1 ATOM 4456 C CB . ASN A 1 556 ? -1.715 11.230 7.468 1.00 20.86 ? 556 ASN A CB 1 ATOM 4457 C CG . ASN A 1 556 ? -2.347 10.007 6.875 1.00 18.52 ? 556 ASN A CG 1 ATOM 4458 O OD1 . ASN A 1 556 ? -3.569 9.925 6.806 1.00 18.05 ? 556 ASN A OD1 1 ATOM 4459 N ND2 . ASN A 1 556 ? -1.542 9.053 6.431 1.00 17.36 ? 556 ASN A ND2 1 ATOM 4460 N N . THR A 1 557 ? -0.608 14.568 6.604 1.00 23.28 ? 557 THR A N 1 ATOM 4461 C CA . THR A 1 557 ? -0.074 15.806 7.215 1.00 23.70 ? 557 THR A CA 1 ATOM 4462 C C . THR A 1 557 ? -0.013 16.851 6.116 1.00 25.41 ? 557 THR A C 1 ATOM 4463 O O . THR A 1 557 ? -0.263 16.522 4.953 1.00 26.13 ? 557 THR A O 1 ATOM 4464 C CB . THR A 1 557 ? 1.359 15.695 7.721 1.00 22.98 ? 557 THR A CB 1 ATOM 4465 O OG1 . THR A 1 557 ? 2.230 15.440 6.611 1.00 22.18 ? 557 THR A OG1 1 ATOM 4466 C CG2 . THR A 1 557 ? 1.469 14.578 8.745 1.00 20.88 ? 557 THR A CG2 1 ATOM 4467 N N . HIS A 1 558 ? 0.361 18.077 6.419 1.00 27.34 ? 558 HIS A N 1 ATOM 4468 C CA . HIS A 1 558 ? 0.472 19.079 5.394 1.00 29.59 ? 558 HIS A CA 1 ATOM 4469 C C . HIS A 1 558 ? 1.929 19.355 5.060 1.00 29.81 ? 558 HIS A C 1 ATOM 4470 O O . HIS A 1 558 ? 2.301 20.449 4.641 1.00 31.95 ? 558 HIS A O 1 ATOM 4471 C CB . HIS A 1 558 ? -0.219 20.359 5.873 1.00 30.24 ? 558 HIS A CB 1 ATOM 4472 C CG . HIS A 1 558 ? -1.741 20.200 5.870 1.00 32.55 ? 558 HIS A CG 1 ATOM 4473 N ND1 . HIS A 1 558 ? -2.565 20.762 6.822 1.00 34.32 ? 558 HIS A ND1 1 ATOM 4474 C CD2 . HIS A 1 558 ? -2.558 19.564 4.996 1.00 33.86 ? 558 HIS A CD2 1 ATOM 4475 C CE1 . HIS A 1 558 ? -3.823 20.474 6.539 1.00 34.02 ? 558 HIS A CE1 1 ATOM 4476 N NE2 . HIS A 1 558 ? -3.846 19.748 5.436 1.00 34.54 ? 558 HIS A NE2 1 ATOM 4477 N N . ILE A 1 559 ? 2.751 18.331 5.257 1.00 29.58 ? 559 ILE A N 1 ATOM 4478 C CA . ILE A 1 559 ? 4.173 18.402 4.951 1.00 27.79 ? 559 ILE A CA 1 ATOM 4479 C C . ILE A 1 559 ? 4.260 18.000 3.480 1.00 28.78 ? 559 ILE A C 1 ATOM 4480 O O . ILE A 1 559 ? 3.604 17.046 3.060 1.00 27.42 ? 559 ILE A O 1 ATOM 4481 C CB . ILE A 1 559 ? 4.974 17.414 5.844 1.00 26.08 ? 559 ILE A CB 1 ATOM 4482 C CG1 . ILE A 1 559 ? 4.895 17.879 7.303 1.00 25.38 ? 559 ILE A CG1 1 ATOM 4483 C CG2 . ILE A 1 559 ? 6.427 17.311 5.366 1.00 22.40 ? 559 ILE A CG2 1 ATOM 4484 C CD1 . ILE A 1 559 ? 5.406 16.869 8.314 1.00 26.19 ? 559 ILE A CD1 1 ATOM 4485 N N . THR A 1 560 ? 5.036 18.745 2.695 1.00 29.72 ? 560 THR A N 1 ATOM 4486 C CA . THR A 1 560 ? 5.171 18.459 1.265 1.00 31.43 ? 560 THR A CA 1 ATOM 4487 C C . THR A 1 560 ? 6.557 17.948 0.882 1.00 31.83 ? 560 THR A C 1 ATOM 4488 O O . THR A 1 560 ? 6.744 17.382 -0.200 1.00 33.10 ? 560 THR A O 1 ATOM 4489 C CB . THR A 1 560 ? 4.839 19.711 0.409 1.00 32.42 ? 560 THR A CB 1 ATOM 4490 O OG1 . THR A 1 560 ? 5.556 20.845 0.915 1.00 33.45 ? 560 THR A OG1 1 ATOM 4491 C CG2 . THR A 1 560 ? 3.340 20.002 0.438 1.00 31.43 ? 560 THR A CG2 1 ATOM 4492 N N . LYS A 1 561 ? 7.524 18.149 1.772 1.00 30.62 ? 561 LYS A N 1 ATOM 4493 C CA . LYS A 1 561 ? 8.896 17.703 1.548 1.00 31.17 ? 561 LYS A CA 1 ATOM 4494 C C . LYS A 1 561 ? 9.290 16.633 2.583 1.00 30.44 ? 561 LYS A C 1 ATOM 4495 O O . LYS A 1 561 ? 9.260 16.881 3.788 1.00 30.69 ? 561 LYS A O 1 ATOM 4496 C CB . LYS A 1 561 ? 9.850 18.898 1.646 1.00 33.45 ? 561 LYS A CB 1 ATOM 4497 C CG . LYS A 1 561 ? 9.525 20.045 0.682 1.00 37.15 ? 561 LYS A CG 1 ATOM 4498 C CD . LYS A 1 561 ? 10.153 19.851 -0.693 1.00 39.45 ? 561 LYS A CD 1 ATOM 4499 C CE . LYS A 1 561 ? 9.626 20.884 -1.689 1.00 41.38 ? 561 LYS A CE 1 ATOM 4500 N NZ . LYS A 1 561 ? 10.279 20.762 -3.027 1.00 42.33 ? 561 LYS A NZ 1 ATOM 4501 N N . VAL A 1 562 ? 9.663 15.452 2.096 1.00 28.50 ? 562 VAL A N 1 ATOM 4502 C CA . VAL A 1 562 ? 10.062 14.329 2.940 1.00 26.42 ? 562 VAL A CA 1 ATOM 4503 C C . VAL A 1 562 ? 11.255 13.605 2.315 1.00 26.16 ? 562 VAL A C 1 ATOM 4504 O O . VAL A 1 562 ? 11.524 13.756 1.127 1.00 25.49 ? 562 VAL A O 1 ATOM 4505 C CB . VAL A 1 562 ? 8.921 13.289 3.047 1.00 26.18 ? 562 VAL A CB 1 ATOM 4506 C CG1 . VAL A 1 562 ? 7.672 13.940 3.606 1.00 24.67 ? 562 VAL A CG1 1 ATOM 4507 C CG2 . VAL A 1 562 ? 8.632 12.685 1.666 1.00 24.15 ? 562 VAL A CG2 1 ATOM 4508 N N . PRO A 1 563 ? 12.002 12.828 3.116 1.00 26.15 ? 563 PRO A N 1 ATOM 4509 C CA . PRO A 1 563 ? 13.151 12.082 2.581 1.00 25.79 ? 563 PRO A CA 1 ATOM 4510 C C . PRO A 1 563 ? 12.630 10.736 2.057 1.00 25.59 ? 563 PRO A C 1 ATOM 4511 O O . PRO A 1 563 ? 11.534 10.315 2.422 1.00 26.27 ? 563 PRO A O 1 ATOM 4512 C CB . PRO A 1 563 ? 14.056 11.921 3.801 1.00 26.24 ? 563 PRO A CB 1 ATOM 4513 C CG . PRO A 1 563 ? 13.072 11.804 4.919 1.00 27.41 ? 563 PRO A CG 1 ATOM 4514 C CD . PRO A 1 563 ? 12.044 12.870 4.589 1.00 27.27 ? 563 PRO A CD 1 ATOM 4515 N N . LEU A 1 564 ? 13.390 10.055 1.206 1.00 24.69 ? 564 LEU A N 1 ATOM 4516 C CA . LEU A 1 564 ? 12.917 8.770 0.696 1.00 25.35 ? 564 LEU A CA 1 ATOM 4517 C C . LEU A 1 564 ? 13.139 7.646 1.711 1.00 26.01 ? 564 LEU A C 1 ATOM 4518 O O . LEU A 1 564 ? 12.318 6.735 1.816 1.00 28.85 ? 564 LEU A O 1 ATOM 4519 C CB . LEU A 1 564 ? 13.586 8.446 -0.647 1.00 25.15 ? 564 LEU A CB 1 ATOM 4520 C CG . LEU A 1 564 ? 12.778 8.653 -1.949 1.00 26.53 ? 564 LEU A CG 1 ATOM 4521 C CD1 . LEU A 1 564 ? 11.471 9.391 -1.703 1.00 26.09 ? 564 LEU A CD1 1 ATOM 4522 C CD2 . LEU A 1 564 ? 13.632 9.404 -2.959 1.00 26.47 ? 564 LEU A CD2 1 ATOM 4523 N N . HIS A 1 565 ? 14.236 7.722 2.463 1.00 25.49 ? 565 HIS A N 1 ATOM 4524 C CA . HIS A 1 565 ? 14.558 6.731 3.494 1.00 25.23 ? 565 HIS A CA 1 ATOM 4525 C C . HIS A 1 565 ? 14.536 7.452 4.840 1.00 24.33 ? 565 HIS A C 1 ATOM 4526 O O . HIS A 1 565 ? 15.561 7.950 5.310 1.00 23.82 ? 565 HIS A O 1 ATOM 4527 C CB . HIS A 1 565 ? 15.939 6.137 3.237 1.00 27.00 ? 565 HIS A CB 1 ATOM 4528 C CG . HIS A 1 565 ? 16.102 5.596 1.853 1.00 30.80 ? 565 HIS A CG 1 ATOM 4529 N ND1 . HIS A 1 565 ? 15.412 4.492 1.400 1.00 32.48 ? 565 HIS A ND1 1 ATOM 4530 C CD2 . HIS A 1 565 ? 16.827 6.046 0.802 1.00 31.45 ? 565 HIS A CD2 1 ATOM 4531 C CE1 . HIS A 1 565 ? 15.703 4.287 0.128 1.00 32.81 ? 565 HIS A CE1 1 ATOM 4532 N NE2 . HIS A 1 565 ? 16.559 5.216 -0.259 1.00 33.45 ? 565 HIS A NE2 1 ATOM 4533 N N . ALA A 1 566 ? 13.359 7.485 5.457 1.00 22.18 ? 566 ALA A N 1 ATOM 4534 C CA . ALA A 1 566 ? 13.140 8.192 6.710 1.00 21.01 ? 566 ALA A CA 1 ATOM 4535 C C . ALA A 1 566 ? 13.901 7.772 7.966 1.00 21.16 ? 566 ALA A C 1 ATOM 4536 O O . ALA A 1 566 ? 13.972 8.561 8.909 1.00 21.42 ? 566 ALA A O 1 ATOM 4537 C CB . ALA A 1 566 ? 11.649 8.219 7.007 1.00 21.01 ? 566 ALA A CB 1 ATOM 4538 N N . PHE A 1 567 ? 14.471 6.567 7.999 1.00 20.80 ? 567 PHE A N 1 ATOM 4539 C CA . PHE A 1 567 ? 15.190 6.113 9.200 1.00 22.24 ? 567 PHE A CA 1 ATOM 4540 C C . PHE A 1 567 ? 16.650 6.503 9.288 1.00 23.09 ? 567 PHE A C 1 ATOM 4541 O O . PHE A 1 567 ? 17.234 6.473 10.369 1.00 22.94 ? 567 PHE A O 1 ATOM 4542 C CB . PHE A 1 567 ? 15.105 4.593 9.369 1.00 21.70 ? 567 PHE A CB 1 ATOM 4543 C CG . PHE A 1 567 ? 13.743 4.103 9.708 1.00 23.25 ? 567 PHE A CG 1 ATOM 4544 C CD1 . PHE A 1 567 ? 13.057 4.620 10.792 1.00 25.46 ? 567 PHE A CD1 1 ATOM 4545 C CD2 . PHE A 1 567 ? 13.133 3.135 8.938 1.00 24.62 ? 567 PHE A CD2 1 ATOM 4546 C CE1 . PHE A 1 567 ? 11.782 4.175 11.095 1.00 25.96 ? 567 PHE A CE1 1 ATOM 4547 C CE2 . PHE A 1 567 ? 11.861 2.690 9.241 1.00 24.83 ? 567 PHE A CE2 1 ATOM 4548 C CZ . PHE A 1 567 ? 11.187 3.212 10.318 1.00 23.90 ? 567 PHE A CZ 1 ATOM 4549 N N . GLN A 1 568 ? 17.255 6.842 8.160 1.00 24.23 ? 568 GLN A N 1 ATOM 4550 C CA . GLN A 1 568 ? 18.651 7.236 8.196 1.00 27.15 ? 568 GLN A CA 1 ATOM 4551 C C . GLN A 1 568 ? 18.700 8.741 8.421 1.00 26.63 ? 568 GLN A C 1 ATOM 4552 O O . GLN A 1 568 ? 17.688 9.419 8.270 1.00 24.61 ? 568 GLN A O 1 ATOM 4553 C CB . GLN A 1 568 ? 19.366 6.838 6.892 1.00 29.60 ? 568 GLN A CB 1 ATOM 4554 C CG . GLN A 1 568 ? 18.753 7.383 5.614 1.00 34.24 ? 568 GLN A CG 1 ATOM 4555 C CD . GLN A 1 568 ? 19.593 7.060 4.383 1.00 36.73 ? 568 GLN A CD 1 ATOM 4556 O OE1 . GLN A 1 568 ? 19.739 5.895 3.995 1.00 36.20 ? 568 GLN A OE1 1 ATOM 4557 N NE2 . GLN A 1 568 ? 20.156 8.098 3.767 1.00 37.97 ? 568 GLN A NE2 1 ATOM 4558 N N . ALA A 1 569 ? 19.860 9.259 8.817 1.00 27.01 ? 569 ALA A N 1 ATOM 4559 C CA . ALA A 1 569 ? 19.997 10.691 9.051 1.00 29.09 ? 569 ALA A CA 1 ATOM 4560 C C . ALA A 1 569 ? 19.836 11.444 7.732 1.00 29.67 ? 569 ALA A C 1 ATOM 4561 O O . ALA A 1 569 ? 20.540 11.159 6.763 1.00 30.87 ? 569 ALA A O 1 ATOM 4562 C CB . ALA A 1 569 ? 21.354 10.989 9.667 1.00 28.52 ? 569 ALA A CB 1 ATOM 4563 N N . ASN A 1 570 ? 18.912 12.403 7.701 1.00 29.87 ? 570 ASN A N 1 ATOM 4564 C CA . ASN A 1 570 ? 18.645 13.187 6.493 1.00 30.48 ? 570 ASN A CA 1 ATOM 4565 C C . ASN A 1 570 ? 18.817 14.696 6.660 1.00 32.20 ? 570 ASN A C 1 ATOM 4566 O O . ASN A 1 570 ? 18.233 15.303 7.562 1.00 31.90 ? 570 ASN A O 1 ATOM 4567 C CB . ASN A 1 570 ? 17.227 12.907 5.994 1.00 28.03 ? 570 ASN A CB 1 ATOM 4568 C CG . ASN A 1 570 ? 17.083 11.520 5.425 1.00 28.21 ? 570 ASN A CG 1 ATOM 4569 O OD1 . ASN A 1 570 ? 16.469 10.639 6.032 1.00 25.58 ? 570 ASN A OD1 1 ATOM 4570 N ND2 . ASN A 1 570 ? 17.662 11.309 4.249 1.00 28.33 ? 570 ASN A ND2 1 ATOM 4571 N N . ASN A 1 571 ? 19.604 15.303 5.777 1.00 34.13 ? 571 ASN A N 1 ATOM 4572 C CA . ASN A 1 571 ? 19.819 16.742 5.838 1.00 36.76 ? 571 ASN A CA 1 ATOM 4573 C C . ASN A 1 571 ? 18.917 17.516 4.883 1.00 36.64 ? 571 ASN A C 1 ATOM 4574 O O . ASN A 1 571 ? 18.728 17.132 3.727 1.00 37.03 ? 571 ASN A O 1 ATOM 4575 C CB . ASN A 1 571 ? 21.287 17.079 5.560 1.00 38.87 ? 571 ASN A CB 1 ATOM 4576 C CG . ASN A 1 571 ? 22.214 16.573 6.653 1.00 40.61 ? 571 ASN A CG 1 ATOM 4577 O OD1 . ASN A 1 571 ? 21.809 16.434 7.813 1.00 42.32 ? 571 ASN A OD1 1 ATOM 4578 N ND2 . ASN A 1 571 ? 23.465 16.309 6.293 1.00 41.30 ? 571 ASN A ND2 1 ATOM 4579 N N . TYR A 1 572 ? 18.348 18.603 5.393 1.00 37.09 ? 572 TYR A N 1 ATOM 4580 C CA . TYR A 1 572 ? 17.469 19.467 4.615 1.00 37.23 ? 572 TYR A CA 1 ATOM 4581 C C . TYR A 1 572 ? 18.315 20.599 4.031 1.00 37.46 ? 572 TYR A C 1 ATOM 4582 O O . TYR A 1 572 ? 19.130 21.200 4.735 1.00 36.45 ? 572 TYR A O 1 ATOM 4583 C CB . TYR A 1 572 ? 16.374 20.054 5.507 1.00 36.98 ? 572 TYR A CB 1 ATOM 4584 C CG . TYR A 1 572 ? 15.296 20.772 4.729 1.00 38.10 ? 572 TYR A CG 1 ATOM 4585 C CD1 . TYR A 1 572 ? 14.285 20.061 4.080 1.00 38.00 ? 572 TYR A CD1 1 ATOM 4586 C CD2 . TYR A 1 572 ? 15.302 22.161 4.615 1.00 38.94 ? 572 TYR A CD2 1 ATOM 4587 C CE1 . TYR A 1 572 ? 13.304 20.717 3.338 1.00 37.75 ? 572 TYR A CE1 1 ATOM 4588 C CE2 . TYR A 1 572 ? 14.328 22.830 3.874 1.00 37.67 ? 572 TYR A CE2 1 ATOM 4589 C CZ . TYR A 1 572 ? 13.332 22.102 3.241 1.00 38.31 ? 572 TYR A CZ 1 ATOM 4590 O OH . TYR A 1 572 ? 12.361 22.757 2.517 1.00 38.12 ? 572 TYR A OH 1 ATOM 4591 N N . PRO A 1 573 ? 18.090 20.948 2.756 1.00 37.82 ? 573 PRO A N 1 ATOM 4592 C CA . PRO A 1 573 ? 17.110 20.391 1.822 1.00 37.65 ? 573 PRO A CA 1 ATOM 4593 C C . PRO A 1 573 ? 17.566 19.264 0.880 1.00 37.29 ? 573 PRO A C 1 ATOM 4594 O O . PRO A 1 573 ? 16.731 18.597 0.271 1.00 36.36 ? 573 PRO A O 1 ATOM 4595 C CB . PRO A 1 573 ? 16.667 21.628 1.055 1.00 38.52 ? 573 PRO A CB 1 ATOM 4596 C CG . PRO A 1 573 ? 17.970 22.448 0.949 1.00 37.59 ? 573 PRO A CG 1 ATOM 4597 C CD . PRO A 1 573 ? 18.867 22.021 2.109 1.00 38.11 ? 573 PRO A CD 1 ATOM 4598 N N . HIS A 1 574 ? 18.874 19.047 0.771 1.00 38.55 ? 574 HIS A N 1 ATOM 4599 C CA . HIS A 1 574 ? 19.435 18.037 -0.132 1.00 40.24 ? 574 HIS A CA 1 ATOM 4600 C C . HIS A 1 574 ? 18.799 16.643 -0.164 1.00 39.48 ? 574 HIS A C 1 ATOM 4601 O O . HIS A 1 574 ? 18.561 16.101 -1.241 1.00 38.12 ? 574 HIS A O 1 ATOM 4602 C CB . HIS A 1 574 ? 20.945 17.912 0.125 1.00 44.68 ? 574 HIS A CB 1 ATOM 4603 C CG . HIS A 1 574 ? 21.608 16.801 -0.634 1.00 48.97 ? 574 HIS A CG 1 ATOM 4604 N ND1 . HIS A 1 574 ? 21.291 16.495 -1.941 1.00 50.60 ? 574 HIS A ND1 1 ATOM 4605 C CD2 . HIS A 1 574 ? 22.601 15.949 -0.279 1.00 50.51 ? 574 HIS A CD2 1 ATOM 4606 C CE1 . HIS A 1 574 ? 22.059 15.502 -2.358 1.00 51.83 ? 574 HIS A CE1 1 ATOM 4607 N NE2 . HIS A 1 574 ? 22.863 15.153 -1.369 1.00 51.78 ? 574 HIS A NE2 1 ATOM 4608 N N . ASP A 1 575 ? 18.524 16.060 1.000 1.00 39.04 ? 575 ASP A N 1 ATOM 4609 C CA . ASP A 1 575 ? 17.941 14.717 1.050 1.00 37.64 ? 575 ASP A CA 1 ATOM 4610 C C . ASP A 1 575 ? 16.423 14.692 0.991 1.00 36.42 ? 575 ASP A C 1 ATOM 4611 O O . ASP A 1 575 ? 15.813 13.628 1.079 1.00 35.93 ? 575 ASP A O 1 ATOM 4612 C CB . ASP A 1 575 ? 18.389 13.986 2.317 1.00 37.09 ? 575 ASP A CB 1 ATOM 4613 C CG . ASP A 1 575 ? 19.889 13.922 2.449 1.00 36.43 ? 575 ASP A CG 1 ATOM 4614 O OD1 . ASP A 1 575 ? 20.568 13.732 1.420 1.00 36.75 ? 575 ASP A OD1 1 ATOM 4615 O OD2 . ASP A 1 575 ? 20.389 14.049 3.583 1.00 38.14 ? 575 ASP A OD2 1 ATOM 4616 N N . PHE A 1 576 ? 15.815 15.859 0.832 1.00 35.65 ? 576 PHE A N 1 ATOM 4617 C CA . PHE A 1 576 ? 14.364 15.944 0.785 1.00 34.74 ? 576 PHE A CA 1 ATOM 4618 C C . PHE A 1 576 ? 13.780 16.094 -0.613 1.00 35.94 ? 576 PHE A C 1 ATOM 4619 O O . PHE A 1 576 ? 14.266 16.881 -1.423 1.00 38.31 ? 576 PHE A O 1 ATOM 4620 C CB . PHE A 1 576 ? 13.888 17.089 1.677 1.00 32.63 ? 576 PHE A CB 1 ATOM 4621 C CG . PHE A 1 576 ? 13.928 16.763 3.141 1.00 30.59 ? 576 PHE A CG 1 ATOM 4622 C CD1 . PHE A 1 576 ? 15.140 16.598 3.804 1.00 28.64 ? 576 PHE A CD1 1 ATOM 4623 C CD2 . PHE A 1 576 ? 12.746 16.571 3.848 1.00 28.51 ? 576 PHE A CD2 1 ATOM 4624 C CE1 . PHE A 1 576 ? 15.169 16.241 5.153 1.00 27.60 ? 576 PHE A CE1 1 ATOM 4625 C CE2 . PHE A 1 576 ? 12.766 16.216 5.189 1.00 26.79 ? 576 PHE A CE2 1 ATOM 4626 C CZ . PHE A 1 576 ? 13.980 16.050 5.844 1.00 26.04 ? 576 PHE A CZ 1 ATOM 4627 N N . VAL A 1 577 ? 12.745 15.313 -0.896 1.00 36.45 ? 577 VAL A N 1 ATOM 4628 C CA . VAL A 1 577 ? 12.077 15.375 -2.186 1.00 35.81 ? 577 VAL A CA 1 ATOM 4629 C C . VAL A 1 577 ? 10.638 15.805 -1.977 1.00 36.12 ? 577 VAL A C 1 ATOM 4630 O O . VAL A 1 577 ? 10.138 15.836 -0.849 1.00 36.42 ? 577 VAL A O 1 ATOM 4631 C CB . VAL A 1 577 ? 12.061 14.013 -2.916 1.00 34.82 ? 577 VAL A CB 1 ATOM 4632 C CG1 . VAL A 1 577 ? 13.473 13.532 -3.150 1.00 33.40 ? 577 VAL A CG1 1 ATOM 4633 C CG2 . VAL A 1 577 ? 11.250 12.997 -2.119 1.00 34.50 ? 577 VAL A CG2 1 ATOM 4634 N N . ASP A 1 578 ? 9.979 16.130 -3.080 1.00 36.22 ? 578 ASP A N 1 ATOM 4635 C CA . ASP A 1 578 ? 8.597 16.564 -3.049 1.00 37.64 ? 578 ASP A CA 1 ATOM 4636 C C . ASP A 1 578 ? 7.693 15.343 -2.953 1.00 37.08 ? 578 ASP A C 1 ATOM 4637 O O . ASP A 1 578 ? 7.938 14.329 -3.603 1.00 37.38 ? 578 ASP A O 1 ATOM 4638 C CB . ASP A 1 578 ? 8.290 17.372 -4.309 1.00 40.08 ? 578 ASP A CB 1 ATOM 4639 C CG . ASP A 1 578 ? 6.888 17.913 -4.317 1.00 40.91 ? 578 ASP A CG 1 ATOM 4640 O OD1 . ASP A 1 578 ? 5.979 17.197 -4.785 1.00 43.11 ? 578 ASP A OD1 1 ATOM 4641 O OD2 . ASP A 1 578 ? 6.696 19.051 -3.837 1.00 44.36 ? 578 ASP A OD2 1 ATOM 4642 N N . CYS A 1 579 ? 6.650 15.445 -2.138 1.00 36.42 ? 579 CYS A N 1 ATOM 4643 C CA . CYS A 1 579 ? 5.730 14.337 -1.932 1.00 35.58 ? 579 CYS A CA 1 ATOM 4644 C C . CYS A 1 579 ? 5.208 13.664 -3.189 1.00 37.84 ? 579 CYS A C 1 ATOM 4645 O O . CYS A 1 579 ? 5.003 12.453 -3.201 1.00 38.18 ? 579 CYS A O 1 ATOM 4646 C CB . CYS A 1 579 ? 4.553 14.787 -1.073 1.00 33.37 ? 579 CYS A CB 1 ATOM 4647 S SG . CYS A 1 579 ? 4.890 14.721 0.715 1.00 31.84 ? 579 CYS A SG 1 ATOM 4648 N N . SER A 1 580 ? 4.998 14.436 -4.249 1.00 40.47 ? 580 SER A N 1 ATOM 4649 C CA . SER A 1 580 ? 4.481 13.871 -5.492 1.00 42.29 ? 580 SER A CA 1 ATOM 4650 C C . SER A 1 580 ? 5.471 12.971 -6.228 1.00 42.20 ? 580 SER A C 1 ATOM 4651 O O . SER A 1 580 ? 5.151 12.408 -7.274 1.00 44.36 ? 580 SER A O 1 ATOM 4652 C CB . SER A 1 580 ? 4.006 14.994 -6.410 1.00 43.50 ? 580 SER A CB 1 ATOM 4653 O OG . SER A 1 580 ? 2.964 15.725 -5.783 1.00 46.87 ? 580 SER A OG 1 ATOM 4654 N N . THR A 1 581 ? 6.667 12.831 -5.670 1.00 41.57 ? 581 THR A N 1 ATOM 4655 C CA . THR A 1 581 ? 7.708 11.985 -6.245 1.00 41.20 ? 581 THR A CA 1 ATOM 4656 C C . THR A 1 581 ? 7.684 10.632 -5.540 1.00 40.78 ? 581 THR A C 1 ATOM 4657 O O . THR A 1 581 ? 8.282 9.656 -6.002 1.00 40.75 ? 581 THR A O 1 ATOM 4658 C CB . THR A 1 581 ? 9.098 12.618 -6.034 1.00 41.67 ? 581 THR A CB 1 ATOM 4659 O OG1 . THR A 1 581 ? 9.216 13.784 -6.856 1.00 44.65 ? 581 THR A OG1 1 ATOM 4660 C CG2 . THR A 1 581 ? 10.208 11.635 -6.382 1.00 42.56 ? 581 THR A CG2 1 ATOM 4661 N N . VAL A 1 582 ? 6.970 10.579 -4.422 1.00 39.82 ? 582 VAL A N 1 ATOM 4662 C CA . VAL A 1 582 ? 6.896 9.372 -3.614 1.00 38.77 ? 582 VAL A CA 1 ATOM 4663 C C . VAL A 1 582 ? 5.766 8.407 -3.982 1.00 38.96 ? 582 VAL A C 1 ATOM 4664 O O . VAL A 1 582 ? 4.599 8.793 -4.064 1.00 38.27 ? 582 VAL A O 1 ATOM 4665 C CB . VAL A 1 582 ? 6.793 9.756 -2.121 1.00 38.44 ? 582 VAL A CB 1 ATOM 4666 C CG1 . VAL A 1 582 ? 6.834 8.515 -1.248 1.00 38.57 ? 582 VAL A CG1 1 ATOM 4667 C CG2 . VAL A 1 582 ? 7.924 10.699 -1.760 1.00 36.77 ? 582 VAL A CG2 1 ATOM 4668 N N . ASP A 1 583 ? 6.142 7.147 -4.198 1.00 39.41 ? 583 ASP A N 1 ATOM 4669 C CA . ASP A 1 583 ? 5.214 6.072 -4.554 1.00 40.44 ? 583 ASP A CA 1 ATOM 4670 C C . ASP A 1 583 ? 3.994 6.025 -3.625 1.00 39.73 ? 583 ASP A C 1 ATOM 4671 O O . ASP A 1 583 ? 4.134 6.050 -2.401 1.00 38.73 ? 583 ASP A O 1 ATOM 4672 C CB . ASP A 1 583 ? 5.943 4.714 -4.499 1.00 42.12 ? 583 ASP A CB 1 ATOM 4673 C CG . ASP A 1 583 ? 6.824 4.451 -5.727 1.00 44.07 ? 583 ASP A CG 1 ATOM 4674 O OD1 . ASP A 1 583 ? 7.245 5.420 -6.404 1.00 45.12 ? 583 ASP A OD1 1 ATOM 4675 O OD2 . ASP A 1 583 ? 7.106 3.262 -6.002 1.00 42.97 ? 583 ASP A OD2 1 ATOM 4676 N N . LYS A 1 584 ? 2.804 5.962 -4.219 1.00 39.07 ? 584 LYS A N 1 ATOM 4677 C CA . LYS A 1 584 ? 1.547 5.881 -3.474 1.00 37.87 ? 584 LYS A CA 1 ATOM 4678 C C . LYS A 1 584 ? 1.123 4.421 -3.358 1.00 36.21 ? 584 LYS A C 1 ATOM 4679 O O . LYS A 1 584 ? 1.546 3.582 -4.150 1.00 35.21 ? 584 LYS A O 1 ATOM 4680 C CB . LYS A 1 584 ? 0.419 6.612 -4.210 1.00 40.45 ? 584 LYS A CB 1 ATOM 4681 C CG . LYS A 1 584 ? 0.519 8.121 -4.306 1.00 44.20 ? 584 LYS A CG 1 ATOM 4682 C CD . LYS A 1 584 ? -0.852 8.703 -4.678 1.00 47.16 ? 584 LYS A CD 1 ATOM 4683 C CE . LYS A 1 584 ? -0.870 10.228 -4.599 1.00 48.93 ? 584 LYS A CE 1 ATOM 4684 N NZ . LYS A 1 584 ? -2.252 10.800 -4.654 1.00 49.06 ? 584 LYS A NZ 1 ATOM 4685 N N . LEU A 1 585 ? 0.288 4.115 -2.370 1.00 34.36 ? 585 LEU A N 1 ATOM 4686 C CA . LEU A 1 585 ? -0.233 2.760 -2.226 1.00 33.18 ? 585 LEU A CA 1 ATOM 4687 C C . LEU A 1 585 ? -1.417 2.705 -3.190 1.00 33.20 ? 585 LEU A C 1 ATOM 4688 O O . LEU A 1 585 ? -2.361 3.485 -3.057 1.00 33.19 ? 585 LEU A O 1 ATOM 4689 C CB . LEU A 1 585 ? -0.733 2.507 -0.796 1.00 31.67 ? 585 LEU A CB 1 ATOM 4690 C CG . LEU A 1 585 ? -1.580 1.244 -0.567 1.00 29.69 ? 585 LEU A CG 1 ATOM 4691 C CD1 . LEU A 1 585 ? -0.717 0.007 -0.715 1.00 30.02 ? 585 LEU A CD1 1 ATOM 4692 C CD2 . LEU A 1 585 ? -2.222 1.279 0.811 1.00 28.12 ? 585 LEU A CD2 1 ATOM 4693 N N . ASP A 1 586 ? -1.363 1.808 -4.169 1.00 34.40 ? 586 ASP A N 1 ATOM 4694 C CA . ASP A 1 586 ? -2.453 1.673 -5.134 1.00 34.99 ? 586 ASP A CA 1 ATOM 4695 C C . ASP A 1 586 ? -3.499 0.719 -4.577 1.00 34.20 ? 586 ASP A C 1 ATOM 4696 O O . ASP A 1 586 ? -3.225 -0.463 -4.396 1.00 34.84 ? 586 ASP A O 1 ATOM 4697 C CB . ASP A 1 586 ? -1.916 1.142 -6.467 1.00 36.28 ? 586 ASP A CB 1 ATOM 4698 C CG . ASP A 1 586 ? -3.013 0.936 -7.503 1.00 37.67 ? 586 ASP A CG 1 ATOM 4699 O OD1 . ASP A 1 586 ? -4.050 1.633 -7.427 1.00 37.82 ? 586 ASP A OD1 1 ATOM 4700 O OD2 . ASP A 1 586 ? -2.828 0.087 -8.403 1.00 36.93 ? 586 ASP A OD2 1 ATOM 4701 N N . LEU A 1 587 ? -4.698 1.226 -4.309 1.00 33.97 ? 587 LEU A N 1 ATOM 4702 C CA . LEU A 1 587 ? -5.756 0.390 -3.747 1.00 34.77 ? 587 LEU A CA 1 ATOM 4703 C C . LEU A 1 587 ? -6.757 -0.239 -4.721 1.00 35.98 ? 587 LEU A C 1 ATOM 4704 O O . LEU A 1 587 ? -7.780 -0.775 -4.282 1.00 35.43 ? 587 LEU A O 1 ATOM 4705 C CB . LEU A 1 587 ? -6.537 1.168 -2.681 1.00 34.63 ? 587 LEU A CB 1 ATOM 4706 C CG . LEU A 1 587 ? -5.903 1.439 -1.309 1.00 35.08 ? 587 LEU A CG 1 ATOM 4707 C CD1 . LEU A 1 587 ? -6.908 2.184 -0.439 1.00 33.71 ? 587 LEU A CD1 1 ATOM 4708 C CD2 . LEU A 1 587 ? -5.507 0.130 -0.635 1.00 32.16 ? 587 LEU A CD2 1 ATOM 4709 N N . SER A 1 588 ? -6.486 -0.196 -6.026 1.00 36.75 ? 588 SER A N 1 ATOM 4710 C CA . SER A 1 588 ? -7.430 -0.792 -6.977 1.00 36.69 ? 588 SER A CA 1 ATOM 4711 C C . SER A 1 588 ? -7.518 -2.320 -6.862 1.00 35.55 ? 588 SER A C 1 ATOM 4712 O O . SER A 1 588 ? -8.545 -2.910 -7.211 1.00 35.15 ? 588 SER A O 1 ATOM 4713 C CB . SER A 1 588 ? -7.118 -0.360 -8.419 1.00 37.06 ? 588 SER A CB 1 ATOM 4714 O OG . SER A 1 588 ? -5.783 -0.648 -8.793 1.00 40.51 ? 588 SER A OG 1 ATOM 4715 N N . PRO A 1 589 ? -6.441 -2.983 -6.392 1.00 34.16 ? 589 PRO A N 1 ATOM 4716 C CA . PRO A 1 589 ? -6.484 -4.443 -6.243 1.00 33.04 ? 589 PRO A CA 1 ATOM 4717 C C . PRO A 1 589 ? -7.551 -4.890 -5.226 1.00 33.76 ? 589 PRO A C 1 ATOM 4718 O O . PRO A 1 589 ? -7.860 -6.079 -5.110 1.00 33.00 ? 589 PRO A O 1 ATOM 4719 C CB . PRO A 1 589 ? -5.079 -4.773 -5.763 1.00 32.30 ? 589 PRO A CB 1 ATOM 4720 C CG . PRO A 1 589 ? -4.257 -3.794 -6.496 1.00 31.27 ? 589 PRO A CG 1 ATOM 4721 C CD . PRO A 1 589 ? -5.041 -2.511 -6.379 1.00 32.27 ? 589 PRO A CD 1 ATOM 4722 N N . TRP A 1 590 ? -8.099 -3.932 -4.486 1.00 33.88 ? 590 TRP A N 1 ATOM 4723 C CA . TRP A 1 590 ? -9.117 -4.223 -3.484 1.00 36.70 ? 590 TRP A CA 1 ATOM 4724 C C . TRP A 1 590 ? -10.538 -4.035 -4.012 1.00 40.38 ? 590 TRP A C 1 ATOM 4725 O O . TRP A 1 590 ? -11.505 -4.266 -3.286 1.00 40.03 ? 590 TRP A O 1 ATOM 4726 C CB . TRP A 1 590 ? -8.907 -3.338 -2.252 1.00 35.35 ? 590 TRP A CB 1 ATOM 4727 C CG . TRP A 1 590 ? -7.873 -3.860 -1.281 1.00 33.00 ? 590 TRP A CG 1 ATOM 4728 C CD1 . TRP A 1 590 ? -8.107 -4.548 -0.121 1.00 31.66 ? 590 TRP A CD1 1 ATOM 4729 C CD2 . TRP A 1 590 ? -6.447 -3.740 -1.393 1.00 31.76 ? 590 TRP A CD2 1 ATOM 4730 N NE1 . TRP A 1 590 ? -6.918 -4.860 0.496 1.00 30.04 ? 590 TRP A NE1 1 ATOM 4731 C CE2 . TRP A 1 590 ? -5.884 -4.375 -0.261 1.00 30.90 ? 590 TRP A CE2 1 ATOM 4732 C CE3 . TRP A 1 590 ? -5.591 -3.154 -2.334 1.00 30.53 ? 590 TRP A CE3 1 ATOM 4733 C CZ2 . TRP A 1 590 ? -4.505 -4.445 -0.053 1.00 27.84 ? 590 TRP A CZ2 1 ATOM 4734 C CZ3 . TRP A 1 590 ? -4.218 -3.225 -2.123 1.00 29.95 ? 590 TRP A CZ3 1 ATOM 4735 C CH2 . TRP A 1 590 ? -3.692 -3.864 -0.989 1.00 27.59 ? 590 TRP A CH2 1 ATOM 4736 N N . ALA A 1 591 ? -10.660 -3.577 -5.237 1.00 45.11 ? 591 ALA A N 1 ATOM 4737 C CA . ALA A 1 591 ? -11.969 -3.342 -5.864 1.00 48.90 ? 591 ALA A CA 1 ATOM 4738 C C . ALA A 1 591 ? -12.779 -4.655 -5.907 1.00 51.66 ? 591 ALA A C 1 ATOM 4739 O O . ALA A 1 591 ? -12.231 -5.668 -6.374 1.00 51.62 ? 591 ALA A O 1 ATOM 4740 C CB . ALA A 1 591 ? -11.798 -2.789 -7.276 1.00 48.60 ? 591 ALA A CB 1 ATOM 4741 N N . SER A 1 592 ? -14.080 -4.686 -5.475 1.00 55.96 ? 592 SER A N 1 ATOM 4742 C CA . SER A 1 592 ? -14.890 -5.980 -5.513 1.00 60.56 ? 592 SER A CA 1 ATOM 4743 C C . SER A 1 592 ? -16.210 -5.899 -6.313 1.00 63.68 ? 592 SER A C 1 ATOM 4744 O O . SER A 1 592 ? -17.284 -5.483 -5.855 1.00 64.71 ? 592 SER A O 1 ATOM 4745 C CB . SER A 1 592 ? -15.168 -6.474 -4.089 1.00 60.54 ? 592 SER A CB 1 ATOM 4746 O OG . SER A 1 592 ? -15.653 -7.806 -4.094 1.00 61.91 ? 592 SER A OG 1 ATOM 4747 N N . ARG A 1 593 ? -15.975 -6.355 -7.555 1.00 67.37 ? 593 ARG A N 1 ATOM 4748 C CA . ARG A 1 593 ? -16.907 -6.516 -8.698 1.00 70.81 ? 593 ARG A CA 1 ATOM 4749 C C . ARG A 1 593 ? -17.913 -7.641 -8.393 1.00 72.31 ? 593 ARG A C 1 ATOM 4750 O O . ARG A 1 593 ? -17.548 -8.749 -7.968 1.00 72.51 ? 593 ARG A O 1 ATOM 4751 C CB . ARG A 1 593 ? -16.141 -6.788 -10.011 1.00 71.90 ? 593 ARG A CB 1 ATOM 4752 C CG . ARG A 1 593 ? -15.650 -5.573 -10.811 1.00 73.66 ? 593 ARG A CG 1 ATOM 4753 C CD . ARG A 1 593 ? -15.045 -5.925 -12.178 1.00 75.21 ? 593 ARG A CD 1 ATOM 4754 N NE . ARG A 1 593 ? -14.451 -4.774 -12.866 1.00 76.52 ? 593 ARG A NE 1 ATOM 4755 C CZ . ARG A 1 593 ? -13.905 -4.823 -14.081 1.00 76.93 ? 593 ARG A CZ 1 ATOM 4756 N NH1 . ARG A 1 593 ? -13.874 -5.968 -14.753 1.00 77.13 ? 593 ARG A NH1 1 ATOM 4757 N NH2 . ARG A 1 593 ? -13.389 -3.728 -14.629 1.00 76.87 ? 593 ARG A NH2 1 ATOM 4758 N N . GLU A 1 594 ? -19.229 -7.357 -8.644 1.00 74.09 ? 594 GLU A N 1 ATOM 4759 C CA . GLU A 1 594 ? -20.410 -8.261 -8.256 1.00 75.60 ? 594 GLU A CA 1 ATOM 4760 C C . GLU A 1 594 ? -20.776 -9.532 -9.041 1.00 76.25 ? 594 GLU A C 1 ATOM 4761 O O . GLU A 1 594 ? -20.842 -10.627 -8.467 1.00 76.40 ? 594 GLU A O 1 ATOM 4762 C CB . GLU A 1 594 ? -21.716 -7.473 -8.262 1.00 75.93 ? 594 GLU A CB 1 ATOM 4763 C CG . GLU A 1 594 ? -21.547 -5.962 -8.204 1.00 76.83 ? 594 GLU A CG 1 ATOM 4764 C CD . GLU A 1 594 ? -21.318 -5.495 -6.789 1.00 77.68 ? 594 GLU A CD 1 ATOM 4765 O OE1 . GLU A 1 594 ? -21.310 -6.344 -5.871 1.00 78.21 ? 594 GLU A OE1 1 ATOM 4766 O OE2 . GLU A 1 594 ? -21.159 -4.270 -6.597 1.00 77.98 ? 594 GLU A OE2 1 ATOM 4767 N N . ASN A 1 595 ? -21.007 -9.377 -10.334 1.00 76.83 ? 595 ASN A N 1 ATOM 4768 C CA . ASN A 1 595 ? -21.434 -10.481 -11.169 1.00 77.30 ? 595 ASN A CA 1 ATOM 4769 C C . ASN A 1 595 ? -20.315 -11.262 -11.819 1.00 77.32 ? 595 ASN A C 1 ATOM 4770 O O . ASN A 1 595 ? -20.546 -12.247 -12.520 1.00 76.97 ? 595 ASN A O 1 ATOM 4771 C CB . ASN A 1 595 ? -22.400 -9.936 -12.221 1.00 77.55 ? 595 ASN A CB 1 ATOM 4772 C CG . ASN A 1 595 ? -23.561 -9.188 -11.567 1.00 78.05 ? 595 ASN A CG 1 ATOM 4773 O OD1 . ASN A 1 595 ? -24.529 -9.794 -11.106 1.00 78.33 ? 595 ASN A OD1 1 ATOM 4774 N ND2 . ASN A 1 595 ? -23.459 -7.863 -11.527 1.00 77.91 ? 595 ASN A ND2 1 HETATM 4775 C C1 . NAG B 2 . ? 23.700 4.866 6.714 1.00 51.38 ? 596 NAG A C1 1 HETATM 4776 C C2 . NAG B 2 . ? 24.841 4.316 5.846 1.00 54.76 ? 596 NAG A C2 1 HETATM 4777 C C3 . NAG B 2 . ? 24.345 3.828 4.489 1.00 58.38 ? 596 NAG A C3 1 HETATM 4778 C C4 . NAG B 2 . ? 23.209 2.821 4.603 1.00 61.12 ? 596 NAG A C4 1 HETATM 4779 C C5 . NAG B 2 . ? 22.104 3.492 5.454 1.00 59.02 ? 596 NAG A C5 1 HETATM 4780 C C6 . NAG B 2 . ? 20.951 2.553 5.732 1.00 57.87 ? 596 NAG A C6 1 HETATM 4781 C C7 . NAG B 2 . ? 27.120 5.078 5.980 1.00 55.79 ? 596 NAG A C7 1 HETATM 4782 C C8 . NAG B 2 . ? 28.187 6.069 5.536 1.00 56.07 ? 596 NAG A C8 1 HETATM 4783 N N2 . NAG B 2 . ? 25.875 5.295 5.565 1.00 55.26 ? 596 NAG A N2 1 HETATM 4784 O O3 . NAG B 2 . ? 25.422 3.268 3.752 1.00 57.63 ? 596 NAG A O3 1 HETATM 4785 O O4 . NAG B 2 . ? 22.738 2.531 3.251 1.00 69.88 ? 596 NAG A O4 1 HETATM 4786 O O5 . NAG B 2 . ? 22.615 3.906 6.758 1.00 54.20 ? 596 NAG A O5 1 HETATM 4787 O O6 . NAG B 2 . ? 21.381 1.447 6.510 1.00 58.66 ? 596 NAG A O6 1 HETATM 4788 O O7 . NAG B 2 . ? 27.412 4.175 6.767 1.00 54.85 ? 596 NAG A O7 1 HETATM 4789 C C1 . NAG C 2 . ? 22.328 1.162 2.905 1.00 77.57 ? 597 NAG A C1 1 HETATM 4790 C C2 . NAG C 2 . ? 21.393 1.540 1.721 1.00 80.57 ? 597 NAG A C2 1 HETATM 4791 C C3 . NAG C 2 . ? 21.622 0.791 0.372 1.00 83.14 ? 597 NAG A C3 1 HETATM 4792 C C4 . NAG C 2 . ? 22.194 -0.641 0.483 1.00 84.60 ? 597 NAG A C4 1 HETATM 4793 C C5 . NAG C 2 . ? 22.650 -0.976 1.909 1.00 83.46 ? 597 NAG A C5 1 HETATM 4794 C C6 . NAG C 2 . ? 23.637 -2.124 1.952 1.00 83.46 ? 597 NAG A C6 1 HETATM 4795 C C7 . NAG C 2 . ? 19.166 2.378 2.115 1.00 82.66 ? 597 NAG A C7 1 HETATM 4796 C C8 . NAG C 2 . ? 17.719 2.064 2.452 1.00 82.74 ? 597 NAG A C8 1 HETATM 4797 N N2 . NAG C 2 . ? 20.005 1.347 2.084 1.00 82.14 ? 597 NAG A N2 1 HETATM 4798 O O3 . NAG C 2 . ? 22.429 1.564 -0.510 1.00 83.62 ? 597 NAG A O3 1 HETATM 4799 O O4 . NAG C 2 . ? 21.223 -1.623 0.025 1.00 88.79 ? 597 NAG A O4 1 HETATM 4800 O O5 . NAG C 2 . ? 23.289 0.171 2.509 1.00 80.40 ? 597 NAG A O5 1 HETATM 4801 O O6 . NAG C 2 . ? 22.957 -3.371 1.944 1.00 84.35 ? 597 NAG A O6 1 HETATM 4802 O O7 . NAG C 2 . ? 19.518 3.546 1.926 1.00 82.84 ? 597 NAG A O7 1 HETATM 4803 C C1 . MAN D 3 . ? 20.357 -2.560 -0.653 1.00 92.10 ? 598 MAN A C1 1 HETATM 4804 C C2 . MAN D 3 . ? 19.507 -3.610 0.064 1.00 93.21 ? 598 MAN A C2 1 HETATM 4805 C C3 . MAN D 3 . ? 18.508 -4.250 -0.913 1.00 94.12 ? 598 MAN A C3 1 HETATM 4806 C C4 . MAN D 3 . ? 18.749 -3.871 -2.390 1.00 94.48 ? 598 MAN A C4 1 HETATM 4807 C C5 . MAN D 3 . ? 20.227 -3.665 -2.801 1.00 94.45 ? 598 MAN A C5 1 HETATM 4808 C C6 . MAN D 3 . ? 20.346 -2.632 -3.908 1.00 94.91 ? 598 MAN A C6 1 HETATM 4809 O O2 . MAN D 3 . ? 18.811 -3.036 1.161 1.00 93.27 ? 598 MAN A O2 1 HETATM 4810 O O3 . MAN D 3 . ? 17.189 -3.856 -0.556 1.00 94.31 ? 598 MAN A O3 1 HETATM 4811 O O4 . MAN D 3 . ? 18.190 -4.875 -3.227 1.00 94.70 ? 598 MAN A O4 1 HETATM 4812 O O5 . MAN D 3 . ? 21.073 -3.212 -1.706 1.00 93.72 ? 598 MAN A O5 1 HETATM 4813 O O6 . MAN D 3 . ? 21.396 -2.959 -4.806 1.00 95.15 ? 598 MAN A O6 1 HETATM 4814 C C1 . NAG E 2 . ? -18.370 9.682 13.004 1.00 42.68 ? 599 NAG A C1 1 HETATM 4815 C C2 . NAG E 2 . ? -17.841 10.950 13.712 1.00 42.93 ? 599 NAG A C2 1 HETATM 4816 C C3 . NAG E 2 . ? -18.611 12.212 13.283 1.00 45.76 ? 599 NAG A C3 1 HETATM 4817 C C4 . NAG E 2 . ? -18.746 12.301 11.759 1.00 48.68 ? 599 NAG A C4 1 HETATM 4818 C C5 . NAG E 2 . ? -19.386 11.005 11.278 1.00 47.66 ? 599 NAG A C5 1 HETATM 4819 C C6 . NAG E 2 . ? -19.685 10.962 9.789 1.00 48.10 ? 599 NAG A C6 1 HETATM 4820 C C7 . NAG E 2 . ? -16.865 10.673 15.918 1.00 37.87 ? 599 NAG A C7 1 HETATM 4821 C C8 . NAG E 2 . ? -17.075 10.605 17.422 1.00 36.16 ? 599 NAG A C8 1 HETATM 4822 N N2 . NAG E 2 . ? -17.950 10.826 15.158 1.00 39.88 ? 599 NAG A N2 1 HETATM 4823 O O3 . NAG E 2 . ? -17.955 13.368 13.779 1.00 44.33 ? 599 NAG A O3 1 HETATM 4824 O O4 . NAG E 2 . ? -19.591 13.415 11.411 1.00 54.32 ? 599 NAG A O4 1 HETATM 4825 O O5 . NAG E 2 . ? -18.516 9.900 11.587 1.00 44.12 ? 599 NAG A O5 1 HETATM 4826 O O6 . NAG E 2 . ? -18.495 10.997 9.015 1.00 49.82 ? 599 NAG A O6 1 HETATM 4827 O O7 . NAG E 2 . ? -15.729 10.552 15.459 1.00 33.91 ? 599 NAG A O7 1 HETATM 4828 C C1 . NAG F 2 . ? -19.110 14.338 10.491 1.00 60.18 ? 600 NAG A C1 1 HETATM 4829 C C2 . NAG F 2 . ? -20.313 15.104 9.910 1.00 62.87 ? 600 NAG A C2 1 HETATM 4830 C C3 . NAG F 2 . ? -20.106 16.601 9.562 1.00 64.57 ? 600 NAG A C3 1 HETATM 4831 C C4 . NAG F 2 . ? -18.791 17.250 10.013 1.00 65.42 ? 600 NAG A C4 1 HETATM 4832 C C5 . NAG F 2 . ? -17.690 16.256 10.376 1.00 65.22 ? 600 NAG A C5 1 HETATM 4833 C C6 . NAG F 2 . ? -16.678 16.965 11.245 1.00 66.60 ? 600 NAG A C6 1 HETATM 4834 C C7 . NAG F 2 . ? -21.813 13.606 8.766 1.00 63.00 ? 600 NAG A C7 1 HETATM 4835 C C8 . NAG F 2 . ? -22.200 12.915 7.467 1.00 63.31 ? 600 NAG A C8 1 HETATM 4836 N N2 . NAG F 2 . ? -20.762 14.415 8.715 1.00 63.12 ? 600 NAG A N2 1 HETATM 4837 O O3 . NAG F 2 . ? -21.173 17.351 10.129 1.00 64.84 ? 600 NAG A O3 1 HETATM 4838 O O4 . NAG F 2 . ? -18.319 18.124 8.995 1.00 66.86 ? 600 NAG A O4 1 HETATM 4839 O O5 . NAG F 2 . ? -18.224 15.205 11.194 1.00 62.98 ? 600 NAG A O5 1 HETATM 4840 O O6 . NAG F 2 . ? -17.208 17.168 12.550 1.00 68.26 ? 600 NAG A O6 1 HETATM 4841 O O7 . NAG F 2 . ? -22.468 13.412 9.793 1.00 62.79 ? 600 NAG A O7 1 HETATM 4842 C C1 . NAG G 2 . ? 0.204 25.937 30.359 1.00 42.70 ? 601 NAG A C1 1 HETATM 4843 C C2 . NAG G 2 . ? 1.612 26.531 30.256 1.00 44.18 ? 601 NAG A C2 1 HETATM 4844 C C3 . NAG G 2 . ? 1.596 27.946 29.678 1.00 45.69 ? 601 NAG A C3 1 HETATM 4845 C C4 . NAG G 2 . ? 0.758 28.062 28.401 1.00 49.10 ? 601 NAG A C4 1 HETATM 4846 C C5 . NAG G 2 . ? -0.601 27.358 28.569 1.00 48.29 ? 601 NAG A C5 1 HETATM 4847 C C6 . NAG G 2 . ? -1.276 27.228 27.216 1.00 47.79 ? 601 NAG A C6 1 HETATM 4848 C C7 . NAG G 2 . ? 3.148 25.647 31.901 1.00 42.97 ? 601 NAG A C7 1 HETATM 4849 C C8 . NAG G 2 . ? 3.749 25.753 33.295 1.00 43.05 ? 601 NAG A C8 1 HETATM 4850 N N2 . NAG G 2 . ? 2.241 26.561 31.564 1.00 42.00 ? 601 NAG A N2 1 HETATM 4851 O O3 . NAG G 2 . ? 2.929 28.331 29.389 1.00 44.60 ? 601 NAG A O3 1 HETATM 4852 O O4 . NAG G 2 . ? 0.538 29.469 28.111 1.00 56.49 ? 601 NAG A O4 1 HETATM 4853 O O5 . NAG G 2 . ? -0.447 26.010 29.083 1.00 44.30 ? 601 NAG A O5 1 HETATM 4854 O O6 . NAG G 2 . ? -2.588 26.704 27.341 1.00 51.35 ? 601 NAG A O6 1 HETATM 4855 O O7 . NAG G 2 . ? 3.512 24.745 31.142 1.00 42.65 ? 601 NAG A O7 1 HETATM 4856 C C1 . MAN H 3 . ? 1.990 33.346 22.975 1.00 79.97 ? 602 MAN A C1 1 HETATM 4857 C C2 . MAN H 3 . ? 3.121 34.159 23.643 1.00 81.17 ? 602 MAN A C2 1 HETATM 4858 C C3 . MAN H 3 . ? 2.797 35.647 23.702 1.00 82.30 ? 602 MAN A C3 1 HETATM 4859 C C4 . MAN H 3 . ? 2.101 36.041 22.415 1.00 82.63 ? 602 MAN A C4 1 HETATM 4860 C C5 . MAN H 3 . ? 0.714 35.394 22.397 1.00 82.28 ? 602 MAN A C5 1 HETATM 4861 C C6 . MAN H 3 . ? 0.105 35.302 21.011 1.00 82.35 ? 602 MAN A C6 1 HETATM 4862 O O2 . MAN H 3 . ? 4.328 33.969 22.919 1.00 81.44 ? 602 MAN A O2 1 HETATM 4863 O O3 . MAN H 3 . ? 3.989 36.401 23.864 1.00 82.67 ? 602 MAN A O3 1 HETATM 4864 O O4 . MAN H 3 . ? 1.984 37.457 22.348 1.00 83.70 ? 602 MAN A O4 1 HETATM 4865 O O5 . MAN H 3 . ? 0.715 34.051 22.999 1.00 81.33 ? 602 MAN A O5 1 HETATM 4866 O O6 . MAN H 3 . ? -1.270 34.954 21.082 1.00 82.79 ? 602 MAN A O6 1 HETATM 4867 C C1 . NAG I 2 . ? 0.656 29.927 26.795 1.00 63.92 ? 603 NAG A C1 1 HETATM 4868 C C2 . NAG I 2 . ? -0.160 31.197 26.619 1.00 67.36 ? 603 NAG A C2 1 HETATM 4869 C C3 . NAG I 2 . ? 0.065 31.733 25.238 1.00 70.07 ? 603 NAG A C3 1 HETATM 4870 C C4 . NAG I 2 . ? 1.483 32.183 25.049 1.00 71.84 ? 603 NAG A C4 1 HETATM 4871 C C5 . NAG I 2 . ? 2.512 31.442 25.944 1.00 70.47 ? 603 NAG A C5 1 HETATM 4872 C C6 . NAG I 2 . ? 2.939 32.310 27.120 1.00 70.31 ? 603 NAG A C6 1 HETATM 4873 C C7 . NAG I 2 . ? -2.302 31.470 27.714 1.00 68.22 ? 603 NAG A C7 1 HETATM 4874 C C8 . NAG I 2 . ? -3.807 31.266 27.634 1.00 68.06 ? 603 NAG A C8 1 HETATM 4875 N N2 . NAG I 2 . ? -1.589 30.966 26.714 1.00 68.28 ? 603 NAG A N2 1 HETATM 4876 O O3 . NAG I 2 . ? -0.810 32.830 25.030 1.00 71.29 ? 603 NAG A O3 1 HETATM 4877 O O4 . NAG I 2 . ? 1.847 32.121 23.646 1.00 76.14 ? 603 NAG A O4 1 HETATM 4878 O O5 . NAG I 2 . ? 2.072 30.120 26.467 1.00 67.27 ? 603 NAG A O5 1 HETATM 4879 O O6 . NAG I 2 . ? 4.063 31.768 27.800 1.00 70.65 ? 603 NAG A O6 1 HETATM 4880 O O7 . NAG I 2 . ? -1.801 31.995 28.706 1.00 68.63 ? 603 NAG A O7 1 HETATM 4881 C C1 . NAG J 2 . ? 8.622 -25.352 11.910 1.00 55.38 ? 604 NAG A C1 1 HETATM 4882 C C2 . NAG J 2 . ? 9.608 -26.269 11.144 1.00 59.14 ? 604 NAG A C2 1 HETATM 4883 C C3 . NAG J 2 . ? 10.713 -26.945 12.033 1.00 61.90 ? 604 NAG A C3 1 HETATM 4884 C C4 . NAG J 2 . ? 10.563 -26.846 13.585 1.00 64.05 ? 604 NAG A C4 1 HETATM 4885 C C5 . NAG J 2 . ? 9.311 -26.092 14.014 1.00 62.22 ? 604 NAG A C5 1 HETATM 4886 C C6 . NAG J 2 . ? 9.365 -25.591 15.444 1.00 62.05 ? 604 NAG A C6 1 HETATM 4887 C C7 . NAG J 2 . ? 8.738 -27.450 9.207 1.00 62.19 ? 604 NAG A C7 1 HETATM 4888 C C8 . NAG J 2 . ? 7.988 -28.675 8.703 1.00 62.10 ? 604 NAG A C8 1 HETATM 4889 N N2 . NAG J 2 . ? 8.872 -27.357 10.526 1.00 61.18 ? 604 NAG A N2 1 HETATM 4890 O O3 . NAG J 2 . ? 11.991 -26.444 11.671 1.00 61.87 ? 604 NAG A O3 1 HETATM 4891 O O4 . NAG J 2 . ? 10.578 -28.161 14.202 1.00 70.26 ? 604 NAG A O4 1 HETATM 4892 O O5 . NAG J 2 . ? 9.135 -24.954 13.169 1.00 57.99 ? 604 NAG A O5 1 HETATM 4893 O O6 . NAG J 2 . ? 10.402 -24.636 15.622 1.00 62.65 ? 604 NAG A O6 1 HETATM 4894 O O7 . NAG J 2 . ? 9.149 -26.599 8.415 1.00 62.15 ? 604 NAG A O7 1 HETATM 4895 C C1 . NAG K 2 . ? 11.825 -28.772 14.298 1.00 74.41 ? 605 NAG A C1 1 HETATM 4896 C C2 . NAG K 2 . ? 12.232 -29.030 15.771 1.00 76.42 ? 605 NAG A C2 1 HETATM 4897 C C3 . NAG K 2 . ? 13.378 -30.039 15.899 1.00 77.58 ? 605 NAG A C3 1 HETATM 4898 C C4 . NAG K 2 . ? 13.717 -30.949 14.716 1.00 77.74 ? 605 NAG A C4 1 HETATM 4899 C C5 . NAG K 2 . ? 13.110 -30.537 13.378 1.00 77.56 ? 605 NAG A C5 1 HETATM 4900 C C6 . NAG K 2 . ? 12.993 -31.732 12.455 1.00 77.70 ? 605 NAG A C6 1 HETATM 4901 C C7 . NAG K 2 . ? 12.463 -27.338 17.533 1.00 78.43 ? 605 NAG A C7 1 HETATM 4902 C C8 . NAG K 2 . ? 13.398 -26.286 18.126 1.00 78.40 ? 605 NAG A C8 1 HETATM 4903 N N2 . NAG K 2 . ? 12.869 -27.874 16.382 1.00 77.78 ? 605 NAG A N2 1 HETATM 4904 O O3 . NAG K 2 . ? 13.272 -30.802 17.090 1.00 77.88 ? 605 NAG A O3 1 HETATM 4905 O O4 . NAG K 2 . ? 15.128 -30.937 14.566 1.00 78.25 ? 605 NAG A O4 1 HETATM 4906 O O5 . NAG K 2 . ? 11.790 -29.999 13.557 1.00 76.28 ? 605 NAG A O5 1 HETATM 4907 O O6 . NAG K 2 . ? 13.262 -31.367 11.110 1.00 78.01 ? 605 NAG A O6 1 HETATM 4908 O O7 . NAG K 2 . ? 11.351 -27.530 18.036 1.00 78.81 ? 605 NAG A O7 1 HETATM 4909 CA CA . CA L 4 . ? 0.074 -6.823 18.883 1.00 12.93 ? 606 CA A CA 1 HETATM 4910 S S . SCN M 5 . ? -12.607 0.948 27.683 1.00 62.45 ? 607 SCN A S 1 HETATM 4911 C C . SCN M 5 . ? -14.385 0.438 27.486 1.00 62.21 ? 607 SCN A C 1 HETATM 4912 N N . SCN M 5 . ? -15.520 0.079 27.274 1.00 61.71 ? 607 SCN A N 1 HETATM 4913 N N . NO3 N 6 . ? 12.436 -15.586 29.773 1.00 15.87 ? 608 NO3 A N 1 HETATM 4914 O O1 . NO3 N 6 . ? 12.062 -15.401 28.450 1.00 17.06 ? 608 NO3 A O1 1 HETATM 4915 O O2 . NO3 N 6 . ? 12.924 -16.815 30.169 1.00 20.18 ? 608 NO3 A O2 1 HETATM 4916 O O3 . NO3 N 6 . ? 12.333 -14.563 30.708 1.00 21.18 ? 608 NO3 A O3 1 HETATM 4917 N N . NO3 O 6 . ? -13.406 14.308 22.370 1.00 59.84 ? 609 NO3 A N 1 HETATM 4918 O O1 . NO3 O 6 . ? -12.788 13.134 21.934 1.00 59.29 ? 609 NO3 A O1 1 HETATM 4919 O O2 . NO3 O 6 . ? -13.125 14.782 23.661 1.00 59.23 ? 609 NO3 A O2 1 HETATM 4920 O O3 . NO3 O 6 . ? -14.295 15.003 21.535 1.00 59.47 ? 609 NO3 A O3 1 HETATM 4921 N N . NO3 P 6 . ? 6.917 21.226 4.833 1.00 44.08 ? 610 NO3 A N 1 HETATM 4922 O O1 . NO3 P 6 . ? 8.149 21.087 5.466 1.00 45.50 ? 610 NO3 A O1 1 HETATM 4923 O O2 . NO3 P 6 . ? 6.868 21.125 3.433 1.00 44.72 ? 610 NO3 A O2 1 HETATM 4924 O O3 . NO3 P 6 . ? 5.751 21.465 5.580 1.00 43.63 ? 610 NO3 A O3 1 HETATM 4925 N N . NO3 Q 6 . ? 25.237 2.146 9.920 1.00 44.08 ? 611 NO3 A N 1 HETATM 4926 O O1 . NO3 Q 6 . ? 26.164 1.659 10.838 1.00 45.50 ? 611 NO3 A O1 1 HETATM 4927 O O2 . NO3 Q 6 . ? 24.383 1.232 9.281 1.00 44.72 ? 611 NO3 A O2 1 HETATM 4928 O O3 . NO3 Q 6 . ? 25.162 3.521 9.639 1.00 43.63 ? 611 NO3 A O3 1 HETATM 4929 N N . NO3 R 6 . ? 8.506 -7.986 4.932 1.00 54.30 ? 612 NO3 A N 1 HETATM 4930 O O1 . NO3 R 6 . ? 9.162 -6.954 4.252 1.00 53.85 ? 612 NO3 A O1 1 HETATM 4931 O O2 . NO3 R 6 . ? 7.507 -7.668 5.855 1.00 54.17 ? 612 NO3 A O2 1 HETATM 4932 O O3 . NO3 R 6 . ? 8.840 -9.325 4.698 1.00 54.81 ? 612 NO3 A O3 1 HETATM 4933 C CHA . HEM S 7 . ? 8.852 0.328 29.090 1.00 11.62 ? 613 HEM A CHA 1 HETATM 4934 C CHB . HEM S 7 . ? 9.355 4.954 29.002 1.00 11.20 ? 613 HEM A CHB 1 HETATM 4935 C CHC . HEM S 7 . ? 11.225 4.787 24.734 1.00 11.04 ? 613 HEM A CHC 1 HETATM 4936 C CHD . HEM S 7 . ? 10.961 0.018 24.758 1.00 9.99 ? 613 HEM A CHD 1 HETATM 4937 C C1A . HEM S 7 . ? 8.786 1.578 29.508 1.00 11.77 ? 613 HEM A C1A 1 HETATM 4938 C C2A . HEM S 7 . ? 8.246 2.025 30.762 1.00 11.60 ? 613 HEM A C2A 1 HETATM 4939 C C3A . HEM S 7 . ? 8.374 3.339 30.750 1.00 12.56 ? 613 HEM A C3A 1 HETATM 4940 C C4A . HEM S 7 . ? 9.008 3.684 29.472 1.00 11.24 ? 613 HEM A C4A 1 HETATM 4941 C CMA . HEM S 7 . ? 7.934 4.294 31.859 1.00 8.40 ? 613 HEM A CMA 1 HETATM 4942 C CAA . HEM S 7 . ? 7.654 1.110 31.864 1.00 12.93 ? 613 HEM A CAA 1 HETATM 4943 C CBA . HEM S 7 . ? 8.787 0.557 32.742 1.00 13.69 ? 613 HEM A CBA 1 HETATM 4944 C CGA . HEM S 7 . ? 8.384 -0.383 33.858 1.00 14.16 ? 613 HEM A CGA 1 HETATM 4945 O O1A . HEM S 7 . ? 8.993 -1.521 33.829 1.00 15.14 ? 613 HEM A O1A 1 HETATM 4946 O O2A . HEM S 7 . ? 7.530 0.002 34.783 1.00 15.22 ? 613 HEM A O2A 1 HETATM 4947 C C1B . HEM S 7 . ? 9.882 5.348 27.800 1.00 11.22 ? 613 HEM A C1B 1 HETATM 4948 C C2B . HEM S 7 . ? 10.109 6.712 27.380 1.00 13.66 ? 613 HEM A C2B 1 HETATM 4949 C C3B . HEM S 7 . ? 10.607 6.639 26.147 1.00 13.98 ? 613 HEM A C3B 1 HETATM 4950 C C4B . HEM S 7 . ? 10.723 5.262 25.855 1.00 11.85 ? 613 HEM A C4B 1 HETATM 4951 C CMB . HEM S 7 . ? 9.822 7.978 28.163 1.00 11.18 ? 613 HEM A CMB 1 HETATM 4952 C CAB . HEM S 7 . ? 11.028 7.837 25.199 1.00 14.24 ? 613 HEM A CAB 1 HETATM 4953 C CBB . HEM S 7 . ? 11.398 9.083 25.656 1.00 17.04 ? 613 HEM A CBB 1 HETATM 4954 C C1C . HEM S 7 . ? 11.362 3.495 24.343 1.00 10.03 ? 613 HEM A C1C 1 HETATM 4955 C C2C . HEM S 7 . ? 12.010 3.008 23.079 1.00 11.17 ? 613 HEM A C2C 1 HETATM 4956 C C3C . HEM S 7 . ? 11.929 1.639 23.110 1.00 9.02 ? 613 HEM A C3C 1 HETATM 4957 C C4C . HEM S 7 . ? 11.242 1.315 24.356 1.00 11.07 ? 613 HEM A C4C 1 HETATM 4958 C CMC . HEM S 7 . ? 12.727 3.852 21.923 1.00 10.96 ? 613 HEM A CMC 1 HETATM 4959 C CAC . HEM S 7 . ? 12.421 0.545 22.065 1.00 12.96 ? 613 HEM A CAC 1 HETATM 4960 C CBC . HEM S 7 . ? 13.093 0.715 20.907 1.00 10.98 ? 613 HEM A CBC 1 HETATM 4961 C C1D . HEM S 7 . ? 10.301 -0.307 25.944 1.00 11.11 ? 613 HEM A C1D 1 HETATM 4962 C C2D . HEM S 7 . ? 9.805 -1.625 26.239 1.00 13.05 ? 613 HEM A C2D 1 HETATM 4963 C C3D . HEM S 7 . ? 9.151 -1.570 27.506 1.00 10.33 ? 613 HEM A C3D 1 HETATM 4964 C C4D . HEM S 7 . ? 9.324 -0.164 27.904 1.00 10.39 ? 613 HEM A C4D 1 HETATM 4965 C CMD . HEM S 7 . ? 9.852 -2.953 25.556 1.00 11.67 ? 613 HEM A CMD 1 HETATM 4966 C CAD . HEM S 7 . ? 8.462 -2.881 28.078 1.00 10.54 ? 613 HEM A CAD 1 HETATM 4967 C CBD . HEM S 7 . ? 6.841 -2.809 27.934 1.00 10.79 ? 613 HEM A CBD 1 HETATM 4968 C CGD . HEM S 7 . ? 6.066 -3.945 28.549 1.00 14.98 ? 613 HEM A CGD 1 HETATM 4969 O O1D . HEM S 7 . ? 5.461 -3.806 29.656 1.00 15.83 ? 613 HEM A O1D 1 HETATM 4970 O O2D . HEM S 7 . ? 6.089 -4.994 27.928 1.00 13.81 ? 613 HEM A O2D 1 HETATM 4971 N NA . HEM S 7 . ? 9.236 2.573 28.758 1.00 12.27 ? 613 HEM A NA 1 HETATM 4972 N NB . HEM S 7 . ? 10.274 4.503 26.854 1.00 12.53 ? 613 HEM A NB 1 HETATM 4973 N NC . HEM S 7 . ? 10.908 2.442 25.099 1.00 10.77 ? 613 HEM A NC 1 HETATM 4974 N ND . HEM S 7 . ? 9.983 0.544 26.969 1.00 12.98 ? 613 HEM A ND 1 HETATM 4975 FE FE . HEM S 7 . ? 10.302 2.432 27.037 1.00 13.36 ? 613 HEM A FE 1 HETATM 4976 O O . OSM T 8 . ? 7.773 2.701 26.249 1.00 40.44 ? 614 OSM A O 1 HETATM 4977 S S . OSM T 8 . ? 6.793 2.109 27.461 1.00 48.71 ? 614 OSM A S 1 HETATM 4978 C C . OSM T 8 . ? 5.820 3.587 27.885 1.00 41.77 ? 614 OSM A C 1 HETATM 4979 N N . OSM T 8 . ? 5.749 3.637 29.334 1.00 40.84 ? 614 OSM A N 1 HETATM 4980 O O . HOH U 9 . ? 18.899 -10.280 34.841 1.00 7.59 ? 615 HOH A O 1 HETATM 4981 O O . HOH U 9 . ? 1.527 3.296 23.045 1.00 10.66 ? 616 HOH A O 1 HETATM 4982 O O . HOH U 9 . ? -3.397 5.136 17.598 1.00 17.01 ? 617 HOH A O 1 HETATM 4983 O O . HOH U 9 . ? -5.907 4.586 18.362 1.00 14.91 ? 618 HOH A O 1 HETATM 4984 O O . HOH U 9 . ? -7.870 6.322 18.934 1.00 17.45 ? 619 HOH A O 1 HETATM 4985 O O . HOH U 9 . ? -10.624 6.441 18.018 1.00 20.15 ? 620 HOH A O 1 HETATM 4986 O O . HOH U 9 . ? 16.511 -11.651 38.621 1.00 11.92 ? 621 HOH A O 1 HETATM 4987 O O . HOH U 9 . ? -0.876 -3.072 21.470 1.00 7.95 ? 622 HOH A O 1 HETATM 4988 O O . HOH U 9 . ? 22.350 3.460 19.200 1.00 11.61 ? 623 HOH A O 1 HETATM 4989 O O . HOH U 9 . ? 12.975 16.783 17.598 1.00 16.76 ? 624 HOH A O 1 HETATM 4990 O O . HOH U 9 . ? 13.032 -16.457 32.954 1.00 14.30 ? 625 HOH A O 1 HETATM 4991 O O . HOH U 9 . ? -4.514 -12.673 15.034 1.00 24.39 ? 626 HOH A O 1 HETATM 4992 O O . HOH U 9 . ? -2.238 23.072 7.669 1.00 14.15 ? 627 HOH A O 1 HETATM 4993 O O . HOH U 9 . ? 18.993 8.170 26.600 1.00 18.22 ? 628 HOH A O 1 HETATM 4994 O O . HOH U 9 . ? 24.136 -7.213 23.242 1.00 8.83 ? 629 HOH A O 1 HETATM 4995 O O . HOH U 9 . ? 26.830 6.255 31.082 1.00 16.63 ? 630 HOH A O 1 HETATM 4996 O O . HOH U 9 . ? -10.064 15.984 15.473 1.00 26.29 ? 631 HOH A O 1 HETATM 4997 O O . HOH U 9 . ? -10.781 -0.633 17.424 1.00 21.44 ? 632 HOH A O 1 HETATM 4998 O O . HOH U 9 . ? -5.911 -6.343 18.212 1.00 16.96 ? 633 HOH A O 1 HETATM 4999 O O . HOH U 9 . ? 2.791 -11.301 14.057 1.00 15.87 ? 634 HOH A O 1 HETATM 5000 O O . HOH U 9 . ? 25.653 6.201 44.126 1.00 29.81 ? 635 HOH A O 1 HETATM 5001 O O . HOH U 9 . ? 17.798 14.988 18.446 1.00 17.99 ? 636 HOH A O 1 HETATM 5002 O O . HOH U 9 . ? 16.067 -0.806 46.648 1.00 23.44 ? 637 HOH A O 1 HETATM 5003 O O . HOH U 9 . ? 7.800 -6.027 30.453 1.00 19.17 ? 638 HOH A O 1 HETATM 5004 O O . HOH U 9 . ? 14.704 2.006 17.867 1.00 9.14 ? 639 HOH A O 1 HETATM 5005 O O . HOH U 9 . ? 20.901 5.093 17.810 1.00 17.11 ? 640 HOH A O 1 HETATM 5006 O O . HOH U 9 . ? -6.828 -14.127 15.234 1.00 21.11 ? 641 HOH A O 1 HETATM 5007 O O . HOH U 9 . ? 3.717 -16.787 9.086 1.00 17.06 ? 642 HOH A O 1 HETATM 5008 O O . HOH U 9 . ? 8.090 -17.569 22.748 1.00 23.60 ? 643 HOH A O 1 HETATM 5009 O O . HOH U 9 . ? 21.100 -9.356 39.802 1.00 14.83 ? 644 HOH A O 1 HETATM 5010 O O . HOH U 9 . ? 24.067 -15.395 34.725 1.00 18.50 ? 645 HOH A O 1 HETATM 5011 O O . HOH U 9 . ? -0.717 -12.816 1.434 1.00 31.43 ? 646 HOH A O 1 HETATM 5012 O O . HOH U 9 . ? 2.143 -20.987 15.129 1.00 21.71 ? 647 HOH A O 1 HETATM 5013 O O . HOH U 9 . ? -3.893 -18.308 18.681 1.00 15.74 ? 648 HOH A O 1 HETATM 5014 O O . HOH U 9 . ? 2.838 4.311 2.222 1.00 22.44 ? 649 HOH A O 1 HETATM 5015 O O . HOH U 9 . ? 5.573 -9.476 39.349 1.00 8.68 ? 650 HOH A O 1 HETATM 5016 O O . HOH U 9 . ? 17.724 1.292 44.299 1.00 16.16 ? 651 HOH A O 1 HETATM 5017 O O . HOH U 9 . ? 22.183 10.633 32.923 1.00 16.30 ? 652 HOH A O 1 HETATM 5018 O O . HOH U 9 . ? 20.750 14.225 23.999 1.00 18.27 ? 653 HOH A O 1 HETATM 5019 O O . HOH U 9 . ? 19.987 16.424 15.707 1.00 25.34 ? 654 HOH A O 1 HETATM 5020 O O . HOH U 9 . ? 2.163 13.103 24.911 1.00 21.90 ? 655 HOH A O 1 HETATM 5021 O O . HOH U 9 . ? 25.787 -9.188 42.908 1.00 15.38 ? 656 HOH A O 1 HETATM 5022 O O . HOH U 9 . ? -8.982 -6.782 10.006 1.00 19.92 ? 657 HOH A O 1 HETATM 5023 O O . HOH U 9 . ? 5.993 -1.584 30.955 1.00 19.48 ? 658 HOH A O 1 HETATM 5024 O O . HOH U 9 . ? -15.274 -5.108 19.658 1.00 38.30 ? 659 HOH A O 1 HETATM 5025 O O . HOH U 9 . ? -16.214 1.791 12.846 1.00 28.03 ? 660 HOH A O 1 HETATM 5026 O O . HOH U 9 . ? 5.328 -20.982 36.387 1.00 38.15 ? 661 HOH A O 1 HETATM 5027 O O . HOH U 9 . ? -2.416 -1.198 26.245 1.00 25.71 ? 662 HOH A O 1 HETATM 5028 O O . HOH U 9 . ? 20.938 0.869 22.721 1.00 26.47 ? 663 HOH A O 1 HETATM 5029 O O . HOH U 9 . ? 17.921 13.071 10.276 1.00 21.26 ? 664 HOH A O 1 HETATM 5030 O O . HOH U 9 . ? -7.378 -8.791 10.049 1.00 18.42 ? 665 HOH A O 1 HETATM 5031 O O . HOH U 9 . ? 6.487 -14.999 32.485 1.00 12.08 ? 666 HOH A O 1 HETATM 5032 O O . HOH U 9 . ? -12.551 -15.969 14.800 1.00 23.67 ? 667 HOH A O 1 HETATM 5033 O O . HOH U 9 . ? 14.721 11.365 7.940 1.00 14.44 ? 668 HOH A O 1 HETATM 5034 O O . HOH U 9 . ? 9.654 -20.574 35.016 1.00 26.27 ? 669 HOH A O 1 HETATM 5035 O O . HOH U 9 . ? 14.692 4.270 5.870 1.00 33.19 ? 670 HOH A O 1 HETATM 5036 O O . HOH U 9 . ? -15.669 5.031 4.720 1.00 31.29 ? 671 HOH A O 1 HETATM 5037 O O . HOH U 9 . ? 1.556 -16.656 38.173 1.00 26.05 ? 672 HOH A O 1 HETATM 5038 O O . HOH U 9 . ? 0.195 -11.714 24.084 1.00 15.02 ? 673 HOH A O 1 HETATM 5039 O O . HOH U 9 . ? 0.382 20.917 12.308 1.00 20.92 ? 674 HOH A O 1 HETATM 5040 O O . HOH U 9 . ? -0.502 -19.101 14.629 1.00 15.81 ? 675 HOH A O 1 HETATM 5041 O O . HOH U 9 . ? 17.008 -20.078 35.017 1.00 25.64 ? 676 HOH A O 1 HETATM 5042 O O . HOH U 9 . ? 1.328 0.698 -4.419 1.00 28.75 ? 677 HOH A O 1 HETATM 5043 O O . HOH U 9 . ? 6.807 21.895 27.410 1.00 26.32 ? 678 HOH A O 1 HETATM 5044 O O . HOH U 9 . ? 10.753 3.525 2.242 1.00 36.93 ? 679 HOH A O 1 HETATM 5045 O O . HOH U 9 . ? 16.307 19.475 31.912 1.00 24.93 ? 680 HOH A O 1 HETATM 5046 O O . HOH U 9 . ? 21.223 -16.605 36.167 1.00 13.80 ? 681 HOH A O 1 HETATM 5047 O O . HOH U 9 . ? -8.975 -14.931 13.283 1.00 18.21 ? 682 HOH A O 1 HETATM 5048 O O . HOH U 9 . ? -3.087 -22.813 12.668 1.00 21.26 ? 683 HOH A O 1 HETATM 5049 O O . HOH U 9 . ? -1.266 17.963 28.557 1.00 20.60 ? 684 HOH A O 1 HETATM 5050 O O . HOH U 9 . ? -2.972 20.275 30.485 1.00 18.44 ? 685 HOH A O 1 HETATM 5051 O O . HOH U 9 . ? 17.158 -1.789 43.871 1.00 18.88 ? 686 HOH A O 1 HETATM 5052 O O . HOH U 9 . ? 37.349 0.750 24.795 1.00 44.01 ? 687 HOH A O 1 HETATM 5053 O O . HOH U 9 . ? -3.106 8.169 26.282 1.00 31.13 ? 688 HOH A O 1 HETATM 5054 O O . HOH U 9 . ? 5.949 16.631 31.630 1.00 21.55 ? 689 HOH A O 1 HETATM 5055 O O . HOH U 9 . ? -5.303 -5.370 15.774 1.00 10.84 ? 690 HOH A O 1 HETATM 5056 O O . HOH U 9 . ? 24.396 -3.557 22.870 1.00 20.91 ? 691 HOH A O 1 HETATM 5057 O O . HOH U 9 . ? -4.301 -5.471 11.778 1.00 20.99 ? 692 HOH A O 1 HETATM 5058 O O . HOH U 9 . ? 22.541 13.478 30.672 1.00 17.02 ? 693 HOH A O 1 HETATM 5059 O O . HOH U 9 . ? -0.381 -15.709 24.532 1.00 19.42 ? 694 HOH A O 1 HETATM 5060 O O . HOH U 9 . ? -3.972 13.387 18.436 1.00 21.52 ? 695 HOH A O 1 HETATM 5061 O O . HOH U 9 . ? 13.389 -19.177 17.424 1.00 35.38 ? 696 HOH A O 1 HETATM 5062 O O . HOH U 9 . ? 6.919 -4.543 33.350 1.00 36.88 ? 697 HOH A O 1 HETATM 5063 O O . HOH U 9 . ? -0.620 6.452 3.610 1.00 30.00 ? 698 HOH A O 1 HETATM 5064 O O . HOH U 9 . ? 1.131 33.428 19.170 1.00 51.95 ? 699 HOH A O 1 HETATM 5065 O O . HOH U 9 . ? 1.036 16.656 2.225 1.00 20.56 ? 700 HOH A O 1 HETATM 5066 O O . HOH U 9 . ? -12.388 -9.972 17.724 1.00 29.25 ? 701 HOH A O 1 HETATM 5067 O O . HOH U 9 . ? -1.102 -7.701 10.860 1.00 21.17 ? 702 HOH A O 1 HETATM 5068 O O . HOH U 9 . ? 27.617 -0.414 14.746 1.00 35.92 ? 703 HOH A O 1 HETATM 5069 O O . HOH U 9 . ? -2.778 -7.437 8.414 1.00 20.76 ? 704 HOH A O 1 HETATM 5070 O O . HOH U 9 . ? 23.826 -13.404 54.050 1.00 35.81 ? 705 HOH A O 1 HETATM 5071 O O . HOH U 9 . ? 38.475 -11.303 38.174 1.00 31.11 ? 706 HOH A O 1 HETATM 5072 O O . HOH U 9 . ? 34.041 -0.648 23.479 1.00 30.12 ? 707 HOH A O 1 HETATM 5073 O O . HOH U 9 . ? -18.565 1.863 11.060 1.00 33.17 ? 708 HOH A O 1 HETATM 5074 O O . HOH U 9 . ? 24.957 -16.063 18.907 1.00 37.34 ? 709 HOH A O 1 HETATM 5075 O O . HOH U 9 . ? 5.227 0.370 29.032 1.00 36.95 ? 710 HOH A O 1 HETATM 5076 O O . HOH U 9 . ? 9.887 20.638 34.964 1.00 29.78 ? 711 HOH A O 1 HETATM 5077 O O . HOH U 9 . ? 6.573 -16.330 47.706 1.00 32.15 ? 712 HOH A O 1 HETATM 5078 O O . HOH U 9 . ? 5.623 -9.534 46.577 1.00 32.85 ? 713 HOH A O 1 HETATM 5079 O O . HOH U 9 . ? -5.920 25.022 7.985 1.00 38.02 ? 714 HOH A O 1 HETATM 5080 O O . HOH U 9 . ? 4.491 20.975 20.024 1.00 21.83 ? 715 HOH A O 1 HETATM 5081 O O . HOH U 9 . ? 1.428 -17.992 27.812 1.00 22.09 ? 716 HOH A O 1 HETATM 5082 O O . HOH U 9 . ? 3.411 -12.816 25.399 1.00 19.99 ? 717 HOH A O 1 HETATM 5083 O O . HOH U 9 . ? 16.176 18.436 19.277 1.00 19.42 ? 718 HOH A O 1 HETATM 5084 O O . HOH U 9 . ? -1.542 -17.918 30.607 1.00 26.05 ? 719 HOH A O 1 HETATM 5085 O O . HOH U 9 . ? 1.467 -14.391 26.024 1.00 20.85 ? 720 HOH A O 1 HETATM 5086 O O . HOH U 9 . ? -7.142 -16.281 25.791 1.00 35.60 ? 721 HOH A O 1 HETATM 5087 O O . HOH U 9 . ? 36.770 -15.473 32.002 1.00 31.91 ? 722 HOH A O 1 HETATM 5088 O O . HOH U 9 . ? 5.227 -8.887 51.684 1.00 40.13 ? 723 HOH A O 1 HETATM 5089 O O . HOH U 9 . ? 18.140 -11.604 47.560 1.00 28.94 ? 724 HOH A O 1 HETATM 5090 O O . HOH U 9 . ? -14.846 9.350 12.921 1.00 23.50 ? 725 HOH A O 1 HETATM 5091 O O . HOH U 9 . ? -7.589 10.675 7.725 1.00 27.15 ? 726 HOH A O 1 HETATM 5092 O O . HOH U 9 . ? 24.358 -12.879 18.265 1.00 34.10 ? 727 HOH A O 1 HETATM 5093 O O . HOH U 9 . ? 17.344 5.396 51.011 1.00 30.11 ? 728 HOH A O 1 HETATM 5094 O O . HOH U 9 . ? 5.265 11.291 38.540 1.00 41.31 ? 729 HOH A O 1 HETATM 5095 O O . HOH U 9 . ? 12.434 -21.363 48.315 1.00 42.99 ? 730 HOH A O 1 HETATM 5096 O O . HOH U 9 . ? 6.395 7.102 32.569 1.00 29.37 ? 731 HOH A O 1 HETATM 5097 O O . HOH U 9 . ? 16.383 9.752 2.389 1.00 25.85 ? 732 HOH A O 1 HETATM 5098 O O . HOH U 9 . ? -1.117 7.403 28.028 1.00 41.43 ? 733 HOH A O 1 HETATM 5099 O O . HOH U 9 . ? 8.917 -22.067 18.688 1.00 26.20 ? 734 HOH A O 1 HETATM 5100 O O . HOH U 9 . ? 10.180 -30.852 9.874 1.00 46.48 ? 735 HOH A O 1 HETATM 5101 O O . HOH U 9 . ? 9.916 3.622 5.132 1.00 20.09 ? 736 HOH A O 1 HETATM 5102 O O . HOH U 9 . ? 23.598 12.337 35.439 1.00 34.49 ? 737 HOH A O 1 HETATM 5103 O O . HOH U 9 . ? 19.888 -22.278 22.905 1.00 34.88 ? 738 HOH A O 1 HETATM 5104 O O . HOH U 9 . ? 26.127 15.283 18.318 1.00 33.16 ? 739 HOH A O 1 HETATM 5105 O O . HOH U 9 . ? 29.657 3.870 31.867 1.00 25.96 ? 740 HOH A O 1 HETATM 5106 O O . HOH U 9 . ? 22.765 12.883 49.511 1.00 34.81 ? 741 HOH A O 1 HETATM 5107 O O . HOH U 9 . ? -10.069 -7.694 0.163 1.00 38.57 ? 742 HOH A O 1 HETATM 5108 O O . HOH U 9 . ? -4.850 5.609 25.496 1.00 30.68 ? 743 HOH A O 1 HETATM 5109 O O . HOH U 9 . ? 5.410 28.173 20.821 1.00 33.72 ? 744 HOH A O 1 HETATM 5110 O O . HOH U 9 . ? 2.753 -25.237 9.361 1.00 40.29 ? 745 HOH A O 1 HETATM 5111 O O . HOH U 9 . ? -21.856 -2.258 9.166 1.00 71.00 ? 746 HOH A O 1 HETATM 5112 O O . HOH U 9 . ? 14.498 -12.008 40.563 1.00 9.77 ? 747 HOH A O 1 HETATM 5113 O O . HOH U 9 . ? 17.710 -9.396 37.023 1.00 8.05 ? 748 HOH A O 1 HETATM 5114 O O . HOH U 9 . ? 10.181 16.450 16.889 1.00 17.59 ? 749 HOH A O 1 HETATM 5115 O O . HOH U 9 . ? 21.038 1.284 20.297 1.00 16.11 ? 750 HOH A O 1 HETATM 5116 O O . HOH U 9 . ? -4.797 -10.296 16.763 1.00 22.27 ? 751 HOH A O 1 HETATM 5117 O O . HOH U 9 . ? -3.357 -2.940 22.675 1.00 18.41 ? 752 HOH A O 1 HETATM 5118 O O . HOH U 9 . ? 15.516 15.988 18.768 1.00 14.22 ? 753 HOH A O 1 HETATM 5119 O O . HOH U 9 . ? -1.302 17.590 10.780 1.00 29.30 ? 754 HOH A O 1 HETATM 5120 O O . HOH U 9 . ? -6.714 11.749 30.849 1.00 28.66 ? 755 HOH A O 1 HETATM 5121 O O . HOH U 9 . ? -16.632 -6.664 15.464 1.00 42.81 ? 756 HOH A O 1 HETATM 5122 O O . HOH U 9 . ? 18.113 14.547 40.981 1.00 40.68 ? 757 HOH A O 1 HETATM 5123 O O . HOH U 9 . ? 10.767 5.938 4.129 1.00 33.40 ? 758 HOH A O 1 HETATM 5124 O O . HOH U 9 . ? -4.567 -7.717 10.365 1.00 25.81 ? 759 HOH A O 1 HETATM 5125 O O . HOH U 9 . ? 24.479 -1.222 46.175 1.00 22.13 ? 760 HOH A O 1 HETATM 5126 O O . HOH U 9 . ? 6.102 -20.532 29.047 1.00 22.55 ? 761 HOH A O 1 HETATM 5127 O O . HOH U 9 . ? 0.114 4.330 2.460 1.00 31.04 ? 762 HOH A O 1 HETATM 5128 O O . HOH U 9 . ? 2.360 22.238 8.252 1.00 43.01 ? 763 HOH A O 1 HETATM 5129 O O . HOH U 9 . ? -14.603 11.619 19.869 1.00 34.48 ? 764 HOH A O 1 HETATM 5130 O O . HOH U 9 . ? 29.550 -7.651 13.831 1.00 48.86 ? 765 HOH A O 1 HETATM 5131 O O . HOH U 9 . ? 30.047 11.869 23.371 1.00 38.04 ? 766 HOH A O 1 HETATM 5132 O O . HOH U 9 . ? 29.471 13.547 30.589 1.00 32.36 ? 767 HOH A O 1 HETATM 5133 O O . HOH U 9 . ? 9.910 22.050 2.564 1.00 51.15 ? 768 HOH A O 1 HETATM 5134 O O . HOH U 9 . ? 8.926 17.723 39.854 1.00 31.91 ? 769 HOH A O 1 HETATM 5135 O O . HOH U 9 . ? -0.953 6.128 -0.332 1.00 39.14 ? 770 HOH A O 1 HETATM 5136 O O . HOH U 9 . ? 8.269 28.019 20.178 1.00 36.99 ? 771 HOH A O 1 HETATM 5137 O O . HOH U 9 . ? 28.947 -17.015 40.311 1.00 29.81 ? 772 HOH A O 1 HETATM 5138 O O . HOH U 9 . ? 15.827 -17.563 14.755 1.00 30.10 ? 773 HOH A O 1 HETATM 5139 O O . HOH U 9 . ? 6.154 4.712 -0.907 1.00 40.13 ? 774 HOH A O 1 HETATM 5140 O O . HOH U 9 . ? 27.897 19.932 20.823 1.00 59.58 ? 775 HOH A O 1 HETATM 5141 O O . HOH U 9 . ? 22.080 -17.915 44.291 1.00 28.64 ? 776 HOH A O 1 HETATM 5142 O O . HOH U 9 . ? 3.714 21.615 17.759 1.00 24.58 ? 777 HOH A O 1 HETATM 5143 O O . HOH U 9 . ? 5.016 -18.730 30.787 1.00 26.84 ? 778 HOH A O 1 HETATM 5144 O O . HOH U 9 . ? -0.975 2.278 4.479 1.00 31.18 ? 779 HOH A O 1 HETATM 5145 O O . HOH U 9 . ? 22.753 -15.665 38.430 1.00 25.06 ? 780 HOH A O 1 HETATM 5146 O O . HOH U 9 . ? -0.501 -3.805 -7.912 1.00 40.27 ? 781 HOH A O 1 HETATM 5147 O O . HOH U 9 . ? 28.832 3.811 20.695 1.00 43.72 ? 782 HOH A O 1 HETATM 5148 O O . HOH U 9 . ? -13.086 13.080 28.694 1.00 58.71 ? 783 HOH A O 1 HETATM 5149 O O . HOH U 9 . ? 26.987 8.341 21.947 1.00 56.26 ? 784 HOH A O 1 HETATM 5150 O O . HOH U 9 . ? -0.753 22.350 9.391 1.00 46.77 ? 785 HOH A O 1 HETATM 5151 O O . HOH U 9 . ? 40.907 -11.049 36.036 1.00 39.15 ? 786 HOH A O 1 HETATM 5152 O O . HOH U 9 . ? -15.593 7.885 0.983 1.00 33.90 ? 787 HOH A O 1 HETATM 5153 O O . HOH U 9 . ? 10.341 9.444 51.722 1.00 37.68 ? 788 HOH A O 1 HETATM 5154 O O . HOH U 9 . ? -15.659 14.098 12.409 1.00 53.13 ? 789 HOH A O 1 HETATM 5155 O O . HOH U 9 . ? 15.467 11.318 0.168 1.00 34.10 ? 790 HOH A O 1 HETATM 5156 O O . HOH U 9 . ? -3.622 5.100 -1.232 1.00 28.48 ? 791 HOH A O 1 HETATM 5157 O O . HOH U 9 . ? -7.702 13.093 9.295 1.00 37.63 ? 792 HOH A O 1 HETATM 5158 O O . HOH U 9 . ? -7.351 6.732 51.736 1.00 59.22 ? 793 HOH A O 1 HETATM 5159 O O . HOH U 9 . ? 23.094 17.003 30.782 1.00 40.49 ? 794 HOH A O 1 HETATM 5160 O O . HOH U 9 . ? 11.542 -12.751 3.531 1.00 51.26 ? 795 HOH A O 1 HETATM 5161 O O . HOH U 9 . ? -18.910 -8.526 -5.045 1.00 58.56 ? 796 HOH A O 1 HETATM 5162 O O . HOH U 9 . ? 13.883 -19.447 41.238 1.00 42.20 ? 797 HOH A O 1 HETATM 5163 O O . HOH U 9 . ? 21.894 -9.082 7.175 1.00 61.04 ? 798 HOH A O 1 HETATM 5164 O O . HOH U 9 . ? -4.868 -23.081 23.770 1.00 51.95 ? 799 HOH A O 1 HETATM 5165 O O . HOH U 9 . ? 31.260 -15.716 21.994 1.00 40.16 ? 800 HOH A O 1 HETATM 5166 O O . HOH U 9 . ? -2.021 19.937 9.655 1.00 49.50 ? 801 HOH A O 1 HETATM 5167 O O . HOH U 9 . ? 18.470 16.354 43.388 1.00 42.60 ? 802 HOH A O 1 HETATM 5168 O O . HOH U 9 . ? 5.629 11.376 43.852 1.00 38.98 ? 803 HOH A O 1 HETATM 5169 O O . HOH U 9 . ? 3.849 23.863 10.212 1.00 35.41 ? 804 HOH A O 1 HETATM 5170 O O . HOH U 9 . ? 5.273 -27.712 11.523 1.00 49.51 ? 805 HOH A O 1 HETATM 5171 O O . HOH U 9 . ? 9.771 7.390 53.580 1.00 43.54 ? 806 HOH A O 1 HETATM 5172 O O . HOH U 9 . ? -18.299 -2.929 17.827 1.00 40.63 ? 807 HOH A O 1 HETATM 5173 O O . HOH U 9 . ? -17.770 5.096 10.979 1.00 39.57 ? 808 HOH A O 1 HETATM 5174 O O . HOH U 9 . ? 6.529 0.926 39.253 1.00 43.65 ? 809 HOH A O 1 HETATM 5175 O O . HOH U 9 . ? 27.062 -14.266 14.049 1.00 38.32 ? 810 HOH A O 1 HETATM 5176 O O . HOH U 9 . ? 3.054 21.397 30.921 1.00 31.81 ? 811 HOH A O 1 HETATM 5177 O O . HOH U 9 . ? 18.772 16.346 21.253 1.00 26.75 ? 812 HOH A O 1 HETATM 5178 O O . HOH U 9 . ? 0.475 -25.880 18.470 1.00 52.82 ? 813 HOH A O 1 HETATM 5179 O O . HOH U 9 . ? -5.620 -2.853 24.755 1.00 35.36 ? 814 HOH A O 1 HETATM 5180 O O . HOH U 9 . ? 16.446 -4.898 44.028 1.00 29.03 ? 815 HOH A O 1 HETATM 5181 O O . HOH U 9 . ? -7.795 -9.027 25.710 1.00 36.59 ? 816 HOH A O 1 HETATM 5182 O O . HOH U 9 . ? 9.591 -22.025 32.757 1.00 28.19 ? 817 HOH A O 1 HETATM 5183 O O . HOH U 9 . ? 13.845 -27.323 13.854 1.00 46.40 ? 818 HOH A O 1 HETATM 5184 O O . HOH U 9 . ? 19.383 -26.659 13.587 1.00 45.31 ? 819 HOH A O 1 HETATM 5185 O O . HOH U 9 . ? -8.662 22.152 36.410 1.00 40.38 ? 820 HOH A O 1 HETATM 5186 O O . HOH U 9 . ? 11.289 -22.558 30.916 1.00 27.39 ? 821 HOH A O 1 HETATM 5187 O O . HOH U 9 . ? 17.686 -4.036 46.149 1.00 41.65 ? 822 HOH A O 1 HETATM 5188 O O . HOH U 9 . ? 30.629 3.054 23.278 1.00 37.93 ? 823 HOH A O 1 HETATM 5189 O O . HOH U 9 . ? 4.352 28.734 7.833 1.00 36.81 ? 824 HOH A O 1 HETATM 5190 O O . HOH U 9 . ? -1.005 -28.476 19.818 1.00 59.05 ? 825 HOH A O 1 HETATM 5191 O O . HOH U 9 . ? 18.005 27.141 11.422 1.00 48.77 ? 826 HOH A O 1 HETATM 5192 O O . HOH U 9 . ? 32.289 -19.479 28.464 1.00 37.26 ? 827 HOH A O 1 HETATM 5193 O O . HOH U 9 . ? 14.076 16.591 42.948 1.00 38.34 ? 828 HOH A O 1 HETATM 5194 O O . HOH U 9 . ? -14.076 13.550 32.679 1.00 47.46 ? 829 HOH A O 1 HETATM 5195 O O . HOH U 9 . ? 3.490 -18.161 43.315 1.00 39.97 ? 830 HOH A O 1 HETATM 5196 O O . HOH U 9 . ? 4.963 -11.253 48.825 1.00 39.05 ? 831 HOH A O 1 HETATM 5197 O O . HOH U 9 . ? 0.741 -2.805 43.487 1.00 61.57 ? 832 HOH A O 1 HETATM 5198 O O . HOH U 9 . ? 6.194 2.117 35.410 1.00 31.31 ? 833 HOH A O 1 HETATM 5199 O O . HOH U 9 . ? -5.595 11.663 6.458 1.00 28.71 ? 834 HOH A O 1 HETATM 5200 O O . HOH U 9 . ? 10.709 -11.000 6.062 1.00 40.14 ? 835 HOH A O 1 HETATM 5201 O O . HOH U 9 . ? 24.657 13.229 9.538 1.00 55.14 ? 836 HOH A O 1 HETATM 5202 O O . HOH U 9 . ? 21.858 -2.907 7.848 1.00 37.48 ? 837 HOH A O 1 HETATM 5203 O O . HOH U 9 . ? 13.319 -15.177 50.112 1.00 45.28 ? 838 HOH A O 1 HETATM 5204 O O . HOH U 9 . ? -2.051 8.766 -1.982 1.00 57.96 ? 839 HOH A O 1 HETATM 5205 O O . HOH U 9 . ? -5.556 4.069 -4.742 1.00 32.65 ? 840 HOH A O 1 HETATM 5206 O O . HOH U 9 . ? -5.240 -11.807 36.938 1.00 40.67 ? 841 HOH A O 1 HETATM 5207 O O . HOH U 9 . ? 1.979 -16.771 41.597 1.00 48.07 ? 842 HOH A O 1 HETATM 5208 O O . HOH U 9 . ? -16.443 7.515 3.955 1.00 45.02 ? 843 HOH A O 1 HETATM 5209 O O . HOH U 9 . ? -16.163 19.343 15.216 1.00 59.75 ? 844 HOH A O 1 HETATM 5210 O O . HOH U 9 . ? -21.647 -3.074 18.003 1.00 39.54 ? 845 HOH A O 1 HETATM 5211 O O . HOH U 9 . ? -3.642 -23.830 10.249 1.00 41.62 ? 846 HOH A O 1 HETATM 5212 O O . HOH U 9 . ? 10.995 9.735 45.293 1.00 25.51 ? 847 HOH A O 1 HETATM 5213 O O . HOH U 9 . ? -14.572 11.575 10.776 1.00 40.79 ? 848 HOH A O 1 HETATM 5214 O O . HOH U 9 . ? 10.146 -22.487 37.094 1.00 29.98 ? 849 HOH A O 1 HETATM 5215 O O . HOH U 9 . ? 30.831 -11.464 22.535 1.00 32.26 ? 850 HOH A O 1 HETATM 5216 O O . HOH U 9 . ? -4.000 -2.669 47.698 1.00 55.43 ? 851 HOH A O 1 HETATM 5217 O O . HOH U 9 . ? 15.249 17.463 52.727 1.00 37.82 ? 852 HOH A O 1 HETATM 5218 O O . HOH U 9 . ? 22.450 18.509 15.772 1.00 68.76 ? 853 HOH A O 1 HETATM 5219 O O . HOH U 9 . ? -4.969 -13.467 35.072 1.00 40.33 ? 854 HOH A O 1 HETATM 5220 O O . HOH U 9 . ? -10.791 5.276 29.890 1.00 41.66 ? 855 HOH A O 1 HETATM 5221 O O . HOH U 9 . ? -20.332 -5.964 3.107 1.00 48.62 ? 856 HOH A O 1 HETATM 5222 O O . HOH U 9 . ? -7.977 -9.766 -0.353 1.00 46.18 ? 857 HOH A O 1 HETATM 5223 O O . HOH U 9 . ? 5.491 19.407 32.380 1.00 45.83 ? 858 HOH A O 1 HETATM 5224 O O . HOH U 9 . ? 3.852 17.942 -3.224 1.00 46.01 ? 859 HOH A O 1 HETATM 5225 O O . HOH U 9 . ? 20.518 16.277 30.074 1.00 31.23 ? 860 HOH A O 1 HETATM 5226 O O . HOH U 9 . ? 26.855 4.732 47.026 1.00 51.10 ? 861 HOH A O 1 HETATM 5227 O O . HOH U 9 . ? 21.022 -6.213 7.862 1.00 46.98 ? 862 HOH A O 1 HETATM 5228 O O . HOH U 9 . ? 27.586 6.937 35.258 1.00 35.32 ? 863 HOH A O 1 HETATM 5229 O O . HOH U 9 . ? 10.139 2.249 -0.027 1.00 40.50 ? 864 HOH A O 1 HETATM 5230 O O . HOH U 9 . ? 22.806 -20.810 33.160 1.00 36.95 ? 865 HOH A O 1 HETATM 5231 O O . HOH U 9 . ? 31.456 9.129 24.578 1.00 41.86 ? 866 HOH A O 1 HETATM 5232 O O . HOH U 9 . ? 21.178 19.772 2.808 1.00 48.92 ? 867 HOH A O 1 HETATM 5233 O O . HOH U 9 . ? -4.236 12.126 1.347 1.00 49.22 ? 868 HOH A O 1 HETATM 5234 O O . HOH U 9 . ? 6.952 11.301 50.163 1.00 55.65 ? 869 HOH A O 1 HETATM 5235 O O . HOH U 9 . ? 24.526 3.325 50.040 1.00 44.69 ? 870 HOH A O 1 HETATM 5236 O O . HOH U 9 . ? 20.815 13.403 40.430 1.00 44.88 ? 871 HOH A O 1 HETATM 5237 O O . HOH U 9 . ? -10.758 -17.193 13.190 1.00 50.77 ? 872 HOH A O 1 HETATM 5238 O O . HOH U 9 . ? 16.495 -33.719 13.657 1.00 50.44 ? 873 HOH A O 1 HETATM 5239 O O . HOH U 9 . ? -5.218 22.420 17.441 1.00 45.09 ? 874 HOH A O 1 HETATM 5240 O O . HOH U 9 . ? 27.570 -6.114 45.972 1.00 45.06 ? 875 HOH A O 1 HETATM 5241 O O . HOH U 9 . ? 22.275 10.863 40.717 1.00 41.65 ? 876 HOH A O 1 HETATM 5242 O O . HOH U 9 . ? 0.838 29.131 20.482 1.00 49.20 ? 877 HOH A O 1 HETATM 5243 O O . HOH U 9 . ? 25.179 -2.942 -0.594 1.00 46.87 ? 878 HOH A O 1 HETATM 5244 O O . HOH U 9 . ? 19.049 19.853 35.649 1.00 32.77 ? 879 HOH A O 1 HETATM 5245 O O . HOH U 9 . ? 27.505 12.886 17.039 1.00 38.64 ? 880 HOH A O 1 HETATM 5246 O O . HOH U 9 . ? 36.690 -6.168 40.568 1.00 58.52 ? 881 HOH A O 1 HETATM 5247 O O . HOH U 9 . ? -11.792 -23.768 5.509 1.00 47.06 ? 882 HOH A O 1 HETATM 5248 O O . HOH U 9 . ? 12.363 -19.011 7.131 1.00 66.89 ? 883 HOH A O 1 HETATM 5249 O O . HOH U 9 . ? 20.829 19.078 25.391 1.00 36.59 ? 884 HOH A O 1 HETATM 5250 O O . HOH U 9 . ? 30.127 -1.495 11.587 1.00 45.98 ? 885 HOH A O 1 HETATM 5251 O O . HOH U 9 . ? 8.882 -20.695 23.307 1.00 34.21 ? 886 HOH A O 1 HETATM 5252 O O . HOH U 9 . ? 27.976 10.206 18.619 1.00 41.53 ? 887 HOH A O 1 HETATM 5253 O O . HOH U 9 . ? 15.006 -19.520 49.494 1.00 49.04 ? 888 HOH A O 1 HETATM 5254 O O . HOH U 9 . ? 14.810 -19.791 3.930 1.00 55.61 ? 889 HOH A O 1 HETATM 5255 O O . HOH U 9 . ? 7.690 20.128 33.771 1.00 44.92 ? 890 HOH A O 1 HETATM 5256 O O . HOH U 9 . ? 30.068 0.135 20.076 1.00 41.88 ? 891 HOH A O 1 HETATM 5257 O O . HOH U 9 . ? 15.941 -21.187 38.073 1.00 46.42 ? 892 HOH A O 1 HETATM 5258 O O . HOH U 9 . ? -10.254 -5.389 31.051 1.00 65.03 ? 893 HOH A O 1 HETATM 5259 O O . HOH U 9 . ? 13.890 -18.773 21.084 1.00 46.79 ? 894 HOH A O 1 HETATM 5260 O O . HOH U 9 . ? -11.497 -6.795 -1.563 1.00 50.62 ? 895 HOH A O 1 HETATM 5261 O O . HOH U 9 . ? -9.405 -9.429 3.076 1.00 35.38 ? 896 HOH A O 1 HETATM 5262 O O . HOH U 9 . ? 20.005 -4.881 46.586 1.00 36.35 ? 897 HOH A O 1 HETATM 5263 O O . HOH U 9 . ? 20.100 14.805 10.787 1.00 39.30 ? 898 HOH A O 1 HETATM 5264 O O . HOH U 9 . ? 2.408 -6.735 54.089 1.00 51.54 ? 899 HOH A O 1 HETATM 5265 O O . HOH U 9 . ? 2.634 -0.329 49.563 1.00 39.84 ? 900 HOH A O 1 HETATM 5266 O O . HOH U 9 . ? 16.108 23.534 25.418 1.00 35.46 ? 901 HOH A O 1 HETATM 5267 O O . HOH U 9 . ? 16.248 0.776 6.109 1.00 47.42 ? 902 HOH A O 1 HETATM 5268 O O . HOH U 9 . ? 4.416 -10.670 -1.915 1.00 48.00 ? 903 HOH A O 1 HETATM 5269 O O . HOH U 9 . ? -15.455 -12.515 9.643 1.00 42.80 ? 904 HOH A O 1 HETATM 5270 O O . HOH U 9 . ? 17.259 21.772 26.725 1.00 45.63 ? 905 HOH A O 1 HETATM 5271 O O . HOH U 9 . ? 13.210 -2.139 48.998 1.00 44.22 ? 906 HOH A O 1 HETATM 5272 O O . HOH U 9 . ? -10.157 19.860 29.978 1.00 50.36 ? 907 HOH A O 1 HETATM 5273 O O . HOH U 9 . ? -2.067 -24.764 14.031 1.00 53.66 ? 908 HOH A O 1 HETATM 5274 O O . HOH U 9 . ? 28.582 -20.630 26.015 1.00 36.59 ? 909 HOH A O 1 HETATM 5275 O O . HOH U 9 . ? 2.014 -10.952 48.450 1.00 57.66 ? 910 HOH A O 1 HETATM 5276 O O . HOH U 9 . ? 2.616 -22.767 25.074 1.00 48.22 ? 911 HOH A O 1 HETATM 5277 O O . HOH U 9 . ? 17.900 16.459 38.296 1.00 39.55 ? 912 HOH A O 1 HETATM 5278 O O . HOH U 9 . ? 12.650 31.377 4.706 1.00 49.35 ? 913 HOH A O 1 HETATM 5279 O O . HOH U 9 . ? -0.726 -31.207 18.629 1.00 56.30 ? 914 HOH A O 1 HETATM 5280 O O . HOH U 9 . ? -10.519 -1.075 46.014 1.00 55.89 ? 915 HOH A O 1 HETATM 5281 O O . HOH U 9 . ? 19.772 15.642 36.473 1.00 30.73 ? 916 HOH A O 1 HETATM 5282 O O . HOH U 9 . ? 12.582 -19.469 50.822 1.00 43.02 ? 917 HOH A O 1 HETATM 5283 O O . HOH U 9 . ? 30.554 -12.571 19.346 1.00 35.53 ? 918 HOH A O 1 HETATM 5284 O O . HOH U 9 . ? -8.012 23.576 17.382 1.00 47.07 ? 919 HOH A O 1 HETATM 5285 O O . HOH U 9 . ? 20.322 16.392 40.343 1.00 53.11 ? 920 HOH A O 1 HETATM 5286 O O . HOH U 9 . ? -8.744 4.632 31.784 1.00 48.70 ? 921 HOH A O 1 HETATM 5287 O O . HOH U 9 . ? 16.382 -26.194 16.016 1.00 59.49 ? 922 HOH A O 1 HETATM 5288 O O . HOH U 9 . ? -22.458 11.857 13.667 1.00 51.14 ? 923 HOH A O 1 HETATM 5289 O O . HOH U 9 . ? 16.425 -27.367 13.535 1.00 44.36 ? 924 HOH A O 1 HETATM 5290 O O . HOH U 9 . ? 2.410 -14.726 46.498 1.00 58.66 ? 925 HOH A O 1 HETATM 5291 O O . HOH U 9 . ? -11.861 18.141 30.642 1.00 51.10 ? 926 HOH A O 1 HETATM 5292 O O . HOH U 9 . ? -5.945 -8.082 -6.111 1.00 58.27 ? 927 HOH A O 1 HETATM 5293 O O . HOH U 9 . ? 17.675 3.622 6.309 1.00 60.93 ? 928 HOH A O 1 HETATM 5294 O O . HOH U 9 . ? -19.967 -8.238 0.775 1.00 55.29 ? 929 HOH A O 1 HETATM 5295 O O . HOH U 9 . ? 0.970 28.281 17.904 1.00 50.30 ? 930 HOH A O 1 HETATM 5296 O O . HOH U 9 . ? 1.456 13.517 -3.366 1.00 48.80 ? 931 HOH A O 1 HETATM 5297 O O . HOH U 9 . ? 30.404 12.217 17.984 1.00 55.69 ? 932 HOH A O 1 HETATM 5298 O O . HOH U 9 . ? -15.858 11.327 6.900 1.00 46.52 ? 933 HOH A O 1 HETATM 5299 O O . HOH U 9 . ? 26.786 -2.983 45.421 1.00 51.58 ? 934 HOH A O 1 HETATM 5300 O O . HOH U 9 . ? -8.902 -20.988 15.333 1.00 61.63 ? 935 HOH A O 1 HETATM 5301 O O . HOH U 9 . ? -9.424 -17.061 10.913 1.00 53.73 ? 936 HOH A O 1 HETATM 5302 O O . HOH U 9 . ? 4.427 22.341 2.629 1.00 47.09 ? 937 HOH A O 1 HETATM 5303 O O . HOH U 9 . ? -14.219 10.160 0.511 1.00 71.80 ? 938 HOH A O 1 HETATM 5304 O O . HOH U 9 . ? 1.268 -3.733 48.438 1.00 54.60 ? 939 HOH A O 1 HETATM 5305 O O . HOH U 9 . ? -13.407 -14.023 29.196 1.00 44.29 ? 940 HOH A O 1 HETATM 5306 O O . HOH U 9 . ? 4.563 -9.840 -4.316 1.00 43.31 ? 941 HOH A O 1 HETATM 5307 O O . HOH U 9 . ? -25.409 3.806 10.351 1.00 67.11 ? 942 HOH A O 1 HETATM 5308 O O . HOH U 9 . ? 4.403 3.697 41.105 1.00 50.29 ? 943 HOH A O 1 HETATM 5309 O O . HOH U 9 . ? 17.997 -4.114 26.486 1.00 41.30 ? 944 HOH A O 1 HETATM 5310 O O . HOH U 9 . ? 9.177 6.283 -4.010 1.00 59.23 ? 945 HOH A O 1 HETATM 5311 O O . HOH U 9 . ? 8.881 -3.490 -0.493 1.00 47.51 ? 946 HOH A O 1 HETATM 5312 O O . HOH U 9 . ? 13.607 13.504 23.038 1.00 43.23 ? 947 HOH A O 1 HETATM 5313 O O . HOH U 9 . ? 28.308 -12.340 11.466 1.00 68.27 ? 948 HOH A O 1 HETATM 5314 O O . HOH U 9 . ? -10.293 11.162 10.042 1.00 42.28 ? 949 HOH A O 1 HETATM 5315 O O . HOH U 9 . ? 23.776 17.753 2.854 1.00 53.67 ? 950 HOH A O 1 HETATM 5316 O O . HOH U 9 . ? -15.117 11.705 27.577 1.00 47.23 ? 951 HOH A O 1 HETATM 5317 O O . HOH U 9 . ? 24.941 10.791 40.654 1.00 40.39 ? 952 HOH A O 1 HETATM 5318 O O . HOH U 9 . ? 23.855 8.060 4.545 1.00 49.88 ? 953 HOH A O 1 HETATM 5319 O O . HOH U 9 . ? -10.423 24.306 19.280 1.00 54.28 ? 954 HOH A O 1 HETATM 5320 O O . HOH U 9 . ? 22.357 -5.445 0.524 1.00 61.59 ? 955 HOH A O 1 HETATM 5321 O O . HOH U 9 . ? -6.065 -26.866 21.776 1.00 39.05 ? 956 HOH A O 1 HETATM 5322 O O . HOH U 9 . ? -22.676 -5.126 -11.143 1.00 52.04 ? 957 HOH A O 1 HETATM 5323 O O . HOH U 9 . ? 17.611 -17.910 47.145 1.00 50.82 ? 958 HOH A O 1 HETATM 5324 O O . HOH U 9 . ? 23.550 3.536 0.625 1.00 53.31 ? 959 HOH A O 1 HETATM 5325 O O . HOH U 9 . ? -16.149 -8.610 11.897 1.00 43.53 ? 960 HOH A O 1 HETATM 5326 O O . HOH U 9 . ? 0.482 -6.611 -9.616 1.00 56.13 ? 961 HOH A O 1 HETATM 5327 O O . HOH U 9 . ? 11.707 -21.151 38.680 1.00 47.34 ? 962 HOH A O 1 HETATM 5328 O O . HOH U 9 . ? 9.031 8.676 47.982 1.00 55.12 ? 963 HOH A O 1 HETATM 5329 O O . HOH U 9 . ? 33.882 -19.031 30.783 1.00 46.59 ? 964 HOH A O 1 HETATM 5330 O O . HOH U 9 . ? -16.467 15.915 22.897 1.00 52.01 ? 965 HOH A O 1 HETATM 5331 O O . HOH U 9 . ? 13.897 -24.410 16.120 1.00 48.28 ? 966 HOH A O 1 HETATM 5332 O O . HOH U 9 . ? 1.244 12.834 -6.097 1.00 56.43 ? 967 HOH A O 1 HETATM 5333 O O . HOH U 9 . ? 5.321 -13.324 46.923 1.00 54.95 ? 968 HOH A O 1 HETATM 5334 O O . HOH U 9 . ? -3.463 -15.816 49.124 1.00 59.88 ? 969 HOH A O 1 HETATM 5335 O O . HOH U 9 . ? -3.737 -18.223 4.208 1.00 35.85 ? 970 HOH A O 1 HETATM 5336 O O . HOH U 9 . ? 16.526 -2.440 48.664 1.00 37.72 ? 971 HOH A O 1 HETATM 5337 O O . HOH U 9 . ? 32.532 -14.862 38.651 1.00 47.37 ? 972 HOH A O 1 HETATM 5338 O O . HOH U 9 . ? -4.198 -17.190 31.264 1.00 51.44 ? 973 HOH A O 1 HETATM 5339 O O . HOH U 9 . ? 15.745 -23.280 2.263 1.00 45.55 ? 974 HOH A O 1 HETATM 5340 O O . HOH U 9 . ? -15.397 -10.503 4.688 1.00 49.81 ? 975 HOH A O 1 HETATM 5341 O O . HOH U 9 . ? -4.440 5.691 29.585 1.00 50.96 ? 976 HOH A O 1 HETATM 5342 O O . HOH U 9 . ? 15.388 -4.751 3.501 1.00 49.13 ? 977 HOH A O 1 HETATM 5343 O O . HOH U 9 . ? -20.546 11.183 16.167 1.00 60.19 ? 978 HOH A O 1 HETATM 5344 O O . HOH U 9 . ? -11.073 9.647 -3.465 1.00 48.91 ? 979 HOH A O 1 HETATM 5345 O O . HOH U 9 . ? 25.478 18.205 4.782 1.00 49.03 ? 980 HOH A O 1 HETATM 5346 O O . HOH U 9 . ? 13.232 -32.703 18.994 1.00 54.08 ? 981 HOH A O 1 HETATM 5347 O O . HOH U 9 . ? 9.949 -21.799 10.981 1.00 52.28 ? 982 HOH A O 1 HETATM 5348 O O . HOH U 9 . ? -18.175 -7.046 -2.962 1.00 54.55 ? 983 HOH A O 1 HETATM 5349 O O . HOH U 9 . ? -14.232 -3.876 16.982 1.00 38.58 ? 984 HOH A O 1 HETATM 5350 O O . HOH U 9 . ? -19.732 14.587 17.489 1.00 56.29 ? 985 HOH A O 1 HETATM 5351 O O . HOH U 9 . ? -3.625 3.826 31.976 1.00 42.18 ? 986 HOH A O 1 HETATM 5352 O O . HOH U 9 . ? 13.960 -7.632 5.668 1.00 48.47 ? 987 HOH A O 1 HETATM 5353 O O . HOH U 9 . ? -5.728 7.862 27.937 1.00 45.62 ? 988 HOH A O 1 HETATM 5354 O O . HOH U 9 . ? 2.335 20.756 37.945 1.00 45.74 ? 989 HOH A O 1 HETATM 5355 O O . HOH U 9 . ? 2.419 9.844 -6.352 1.00 59.13 ? 990 HOH A O 1 HETATM 5356 O O . HOH U 9 . ? -21.372 14.390 15.499 1.00 46.22 ? 991 HOH A O 1 HETATM 5357 O O . HOH U 9 . ? 30.602 -8.364 23.124 1.00 41.16 ? 992 HOH A O 1 HETATM 5358 O O . HOH U 9 . ? 9.790 29.681 1.819 1.00 34.99 ? 993 HOH A O 1 HETATM 5359 O O . HOH U 9 . ? -1.810 29.817 24.030 1.00 54.30 ? 994 HOH A O 1 HETATM 5360 O O . HOH U 9 . ? -25.039 -5.902 -9.020 1.00 49.15 ? 995 HOH A O 1 HETATM 5361 O O . HOH U 9 . ? 16.037 23.085 16.148 1.00 57.16 ? 996 HOH A O 1 HETATM 5362 O O . HOH U 9 . ? 21.835 6.191 52.514 1.00 49.79 ? 997 HOH A O 1 HETATM 5363 O O . HOH U 9 . ? 9.997 -7.435 53.574 1.00 42.66 ? 998 HOH A O 1 HETATM 5364 O O . HOH U 9 . ? 12.161 -22.100 13.133 1.00 62.04 ? 999 HOH A O 1 HETATM 5365 O O . HOH U 9 . ? -6.090 6.696 44.443 1.00 61.30 ? 1000 HOH A O 1 HETATM 5366 O O . HOH U 9 . ? 3.512 33.763 16.789 1.00 51.86 ? 1001 HOH A O 1 HETATM 5367 O O . HOH U 9 . ? -15.887 -14.414 13.876 1.00 51.74 ? 1002 HOH A O 1 HETATM 5368 O O . HOH U 9 . ? -0.610 -18.321 25.768 1.00 46.56 ? 1003 HOH A O 1 HETATM 5369 O O . HOH U 9 . ? -16.542 -15.652 24.179 1.00 48.05 ? 1004 HOH A O 1 HETATM 5370 O O . HOH U 9 . ? -9.344 -18.825 22.761 1.00 61.69 ? 1005 HOH A O 1 HETATM 5371 O O . HOH U 9 . ? 6.815 -21.369 32.390 1.00 62.67 ? 1006 HOH A O 1 HETATM 5372 O O . HOH U 9 . ? 2.323 5.782 37.875 1.00 55.26 ? 1007 HOH A O 1 HETATM 5373 O O . HOH U 9 . ? -6.970 23.359 37.930 1.00 59.23 ? 1008 HOH A O 1 HETATM 5374 O O . HOH U 9 . ? 0.837 -11.098 45.537 1.00 53.17 ? 1009 HOH A O 1 HETATM 5375 O O . HOH U 9 . ? -5.947 -8.483 42.987 1.00 66.67 ? 1010 HOH A O 1 HETATM 5376 O O . HOH U 9 . ? 1.505 24.770 13.233 1.00 49.79 ? 1011 HOH A O 1 HETATM 5377 O O . HOH U 9 . ? 6.776 23.334 29.740 1.00 45.56 ? 1012 HOH A O 1 HETATM 5378 O O . HOH U 9 . ? 17.574 -19.760 15.661 1.00 38.88 ? 1013 HOH A O 1 HETATM 5379 O O . HOH U 9 . ? 8.647 -21.833 41.941 1.00 60.89 ? 1014 HOH A O 1 HETATM 5380 O O . HOH U 9 . ? 40.048 1.372 34.839 1.00 66.31 ? 1015 HOH A O 1 HETATM 5381 O O . HOH U 9 . ? -9.054 12.811 31.133 1.00 60.56 ? 1016 HOH A O 1 HETATM 5382 O O . HOH U 9 . ? 15.328 -20.781 46.543 1.00 47.66 ? 1017 HOH A O 1 HETATM 5383 O O . HOH U 9 . ? -3.328 8.315 29.766 1.00 53.55 ? 1018 HOH A O 1 HETATM 5384 O O . HOH U 9 . ? 22.800 17.672 9.967 1.00 68.31 ? 1019 HOH A O 1 HETATM 5385 O O . HOH U 9 . ? 1.537 -19.429 36.100 1.00 49.53 ? 1020 HOH A O 1 HETATM 5386 O O . HOH U 9 . ? 27.323 3.598 52.031 1.00 55.25 ? 1021 HOH A O 1 HETATM 5387 O O . HOH U 9 . ? 28.989 5.935 55.626 1.00 47.69 ? 1022 HOH A O 1 HETATM 5388 O O . HOH U 9 . ? 26.114 2.227 54.742 1.00 45.76 ? 1023 HOH A O 1 HETATM 5389 O O . HOH U 9 . ? 3.951 30.940 16.532 1.00 51.13 ? 1024 HOH A O 1 HETATM 5390 O O . HOH U 9 . ? 26.255 9.738 42.849 1.00 23.78 ? 1025 HOH A O 1 HETATM 5391 O O . HOH U 9 . ? -12.493 -17.232 11.411 1.00 52.54 ? 1026 HOH A O 1 HETATM 5392 O O . HOH U 9 . ? -10.304 -19.486 13.918 1.00 27.86 ? 1027 HOH A O 1 # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.ndb_seq_num _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.hetero A 1 1 SER 1 1 1 SER SER A . n A 1 2 TRP 2 2 2 TRP TRP A . n A 1 3 GLU 3 3 3 GLU GLU A . n A 1 4 VAL 4 4 4 VAL VAL A . n A 1 5 GLY 5 5 5 GLY GLY A . n A 1 6 CYS 6 6 6 CYS CYS A . n A 1 7 GLY 7 7 7 GLY GLY A . n A 1 8 ALA 8 8 8 ALA ALA A . n A 1 9 PRO 9 9 9 PRO PRO A . n A 1 10 VAL 10 10 10 VAL VAL A . n A 1 11 PRO 11 11 11 PRO PRO A . n A 1 12 LEU 12 12 12 LEU LEU A . n A 1 13 VAL 13 13 13 VAL VAL A . n A 1 14 LYS 14 14 14 LYS LYS A . n A 1 15 CYS 15 15 15 CYS CYS A . n A 1 16 ASP 16 16 16 ASP ASP A . n A 1 17 GLU 17 17 17 GLU GLU A . n A 1 18 ASN 18 18 18 ASN ASN A . n A 1 19 SER 19 19 19 SER SER A . n A 1 20 PRO 20 20 20 PRO PRO A . n A 1 21 TYR 21 21 21 TYR TYR A . n A 1 22 ARG 22 22 22 ARG ARG A . n A 1 23 THR 23 23 23 THR THR A . n A 1 24 ILE 24 24 24 ILE ILE A . n A 1 25 THR 25 25 25 THR THR A . n A 1 26 GLY 26 26 26 GLY GLY A . n A 1 27 ASP 27 27 27 ASP ASP A . n A 1 28 CYS 28 28 28 CYS CYS A . n A 1 29 ASN 29 29 29 ASN ASN A . n A 1 30 ASN 30 30 30 ASN ASN A . n A 1 31 ARG 31 31 31 ARG ARG A . n A 1 32 ARG 32 32 32 ARG ARG A . n A 1 33 SER 33 33 33 SER SER A . n A 1 34 PRO 34 34 34 PRO PRO A . n A 1 35 ALA 35 35 35 ALA ALA A . n A 1 36 LEU 36 36 36 LEU LEU A . n A 1 37 GLY 37 37 37 GLY GLY A . n A 1 38 ALA 38 38 38 ALA ALA A . n A 1 39 ALA 39 39 39 ALA ALA A . n A 1 40 ASN 40 40 40 ASN ASN A . n A 1 41 ARG 41 41 41 ARG ARG A . n A 1 42 ALA 42 42 42 ALA ALA A . n A 1 43 LEU 43 43 43 LEU LEU A . n A 1 44 ALA 44 44 44 ALA ALA A . n A 1 45 ARG 45 45 45 ARG ARG A . n A 1 46 TRP 46 46 46 TRP TRP A . n A 1 47 LEU 47 47 47 LEU LEU A . n A 1 48 PRO 48 48 48 PRO PRO A . n A 1 49 ALA 49 49 49 ALA ALA A . n A 1 50 GLU 50 50 50 GLU GLU A . n A 1 51 TYR 51 51 51 TYR TYR A . n A 1 52 GLU 52 52 52 GLU GLU A . n A 1 53 ASP 53 53 53 ASP ASP A . n A 1 54 GLY 54 54 54 GLY GLY A . n A 1 55 LEU 55 55 55 LEU LEU A . n A 1 56 ALA 56 56 56 ALA ALA A . n A 1 57 LEU 57 57 57 LEU LEU A . n A 1 58 PRO 58 58 58 PRO PRO A . n A 1 59 PHE 59 59 59 PHE PHE A . n A 1 60 GLY 60 60 60 GLY GLY A . n A 1 61 TRP 61 61 61 TRP TRP A . n A 1 62 THR 62 62 62 THR THR A . n A 1 63 GLN 63 63 63 GLN GLN A . n A 1 64 ARG 64 64 64 ARG ARG A . n A 1 65 LYS 65 65 65 LYS LYS A . n A 1 66 THR 66 66 66 THR THR A . n A 1 67 ARG 67 67 67 ARG ARG A . n A 1 68 ASN 68 68 68 ASN ASN A . n A 1 69 GLY 69 69 69 GLY GLY A . n A 1 70 PHE 70 70 70 PHE PHE A . n A 1 71 ARG 71 71 71 ARG ARG A . n A 1 72 VAL 72 72 72 VAL VAL A . n A 1 73 PRO 73 73 73 PRO PRO A . n A 1 74 LEU 74 74 74 LEU LEU A . n A 1 75 ALA 75 75 75 ALA ALA A . n A 1 76 ARG 76 76 76 ARG ARG A . n A 1 77 GLU 77 77 77 GLU GLU A . n A 1 78 VAL 78 78 78 VAL VAL A . n A 1 79 SER 79 79 79 SER SER A . n A 1 80 ASN 80 80 80 ASN ASN A . n A 1 81 LYS 81 81 81 LYS LYS A . n A 1 82 ILE 82 82 82 ILE ILE A . n A 1 83 VAL 83 83 83 VAL VAL A . n A 1 84 GLY 84 84 84 GLY GLY A . n A 1 85 TYR 85 85 85 TYR TYR A . n A 1 86 LEU 86 86 86 LEU LEU A . n A 1 87 ASP 87 87 87 ASP ASP A . n A 1 88 GLU 88 88 88 GLU GLU A . n A 1 89 GLU 89 89 89 GLU GLU A . n A 1 90 GLY 90 90 90 GLY GLY A . n A 1 91 VAL 91 91 91 VAL VAL A . n A 1 92 LEU 92 92 92 LEU LEU A . n A 1 93 ASP 93 93 93 ASP ASP A . n A 1 94 GLN 94 94 94 GLN GLN A . n A 1 95 ASN 95 95 95 ASN ASN A . n A 1 96 ARG 96 96 96 ARG ARG A . n A 1 97 SER 97 97 97 SER SER A . n A 1 98 LEU 98 98 98 LEU LEU A . n A 1 99 LEU 99 99 99 LEU LEU A . n A 1 100 PHE 100 100 100 PHE PHE A . n A 1 101 MET 101 101 101 MET MET A . n A 1 102 GLN 102 102 102 GLN GLN A . n A 1 103 TRP 103 103 103 TRP TRP A . n A 1 104 GLY 104 104 104 GLY GLY A . n A 1 105 GLN 105 105 105 GLN GLN A . n A 1 106 ILE 106 106 106 ILE ILE A . n A 1 107 VAL 107 107 107 VAL VAL A . n A 1 108 ASP 108 108 108 ASP ASP A . n A 1 109 HIS 109 109 109 HIS HIS A . n A 1 110 ASP 110 110 110 ASP ASP A . n A 1 111 LEU 111 111 111 LEU LEU A . n A 1 112 ASP 112 112 112 ASP ASP A . n A 1 113 PHE 113 113 113 PHE PHE A . n A 1 114 ALA 114 114 114 ALA ALA A . n A 1 115 PRO 115 115 115 PRO PRO A . n A 1 116 GLU 116 116 116 GLU GLU A . n A 1 117 THR 117 117 117 THR THR A . n A 1 118 GLU 118 118 118 GLU GLU A . n A 1 119 LEU 119 119 119 LEU LEU A . n A 1 120 GLY 120 120 120 GLY GLY A . n A 1 121 SER 121 121 121 SER SER A . n A 1 122 ASN 122 122 122 ASN ASN A . n A 1 123 GLU 123 123 123 GLU GLU A . n A 1 124 HIS 124 124 124 HIS HIS A . n A 1 125 SER 125 125 125 SER SER A . n A 1 126 LYS 126 126 126 LYS LYS A . n A 1 127 THR 127 127 127 THR THR A . n A 1 128 GLN 128 128 128 GLN GLN A . n A 1 129 CYS 129 129 129 CYS CYS A . n A 1 130 GLU 130 130 130 GLU GLU A . n A 1 131 GLU 131 131 131 GLU GLU A . n A 1 132 TYR 132 132 132 TYR TYR A . n A 1 133 CYS 133 133 133 CYS CYS A . n A 1 134 ILE 134 134 134 ILE ILE A . n A 1 135 GLN 135 135 135 GLN GLN A . n A 1 136 GLY 136 136 136 GLY GLY A . n A 1 137 ASP 137 137 137 ASP ASP A . n A 1 138 ASN 138 138 138 ASN ASN A . n A 1 139 CYS 139 139 139 CYS CYS A . n A 1 140 PHE 140 140 140 PHE PHE A . n A 1 141 PRO 141 141 141 PRO PRO A . n A 1 142 ILE 142 142 142 ILE ILE A . n A 1 143 MET 143 143 143 MET MET A . n A 1 144 PHE 144 144 144 PHE PHE A . n A 1 145 PRO 145 145 145 PRO PRO A . n A 1 146 LYS 146 146 146 LYS LYS A . n A 1 147 ASN 147 147 147 ASN ASN A . n A 1 148 ASP 148 148 148 ASP ASP A . n A 1 149 PRO 149 149 149 PRO PRO A . n A 1 150 LYS 150 150 150 LYS LYS A . n A 1 151 LEU 151 151 151 LEU LEU A . n A 1 152 LYS 152 152 152 LYS LYS A . n A 1 153 THR 153 153 153 THR THR A . n A 1 154 GLN 154 154 154 GLN GLN A . n A 1 155 GLY 155 155 155 GLY GLY A . n A 1 156 LYS 156 156 156 LYS LYS A . n A 1 157 CYS 157 157 157 CYS CYS A . n A 1 158 MET 158 158 158 MET MET A . n A 1 159 PRO 159 159 159 PRO PRO A . n A 1 160 PHE 160 160 160 PHE PHE A . n A 1 161 PHE 161 161 161 PHE PHE A . n A 1 162 ARG 162 162 162 ARG ARG A . n A 1 163 ALA 163 163 163 ALA ALA A . n A 1 164 GLY 164 164 164 GLY GLY A . n A 1 165 PHE 165 165 165 PHE PHE A . n A 1 166 VAL 166 166 166 VAL VAL A . n A 1 167 CYS 167 167 167 CYS CYS A . n A 1 168 PRO 168 168 168 PRO PRO A . n A 1 169 THR 169 169 169 THR THR A . n A 1 170 PRO 170 170 170 PRO PRO A . n A 1 171 PRO 171 171 171 PRO PRO A . n A 1 172 TYR 172 172 172 TYR TYR A . n A 1 173 GLN 173 173 173 GLN GLN A . n A 1 174 SER 174 174 174 SER SER A . n A 1 175 LEU 175 175 175 LEU LEU A . n A 1 176 ALA 176 176 176 ALA ALA A . n A 1 177 ARG 177 177 177 ARG ARG A . n A 1 178 GLU 178 178 178 GLU GLU A . n A 1 179 GLN 179 179 179 GLN GLN A . n A 1 180 ILE 180 180 180 ILE ILE A . n A 1 181 ASN 181 181 181 ASN ASN A . n A 1 182 ALA 182 182 182 ALA ALA A . n A 1 183 VAL 183 183 183 VAL VAL A . n A 1 184 THR 184 184 184 THR THR A . n A 1 185 SER 185 185 185 SER SER A . n A 1 186 PHE 186 186 186 PHE PHE A . n A 1 187 LEU 187 187 187 LEU LEU A . n A 1 188 ASP 188 188 188 ASP ASP A . n A 1 189 ALA 189 189 189 ALA ALA A . n A 1 190 SER 190 190 190 SER SER A . n A 1 191 LEU 191 191 191 LEU LEU A . n A 1 192 VAL 192 192 192 VAL VAL A . n A 1 193 TYR 193 193 193 TYR TYR A . n A 1 194 GLY 194 194 194 GLY GLY A . n A 1 195 SER 195 195 195 SER SER A . n A 1 196 GLU 196 196 196 GLU GLU A . n A 1 197 PRO 197 197 197 PRO PRO A . n A 1 198 SEP 198 198 198 SEP SEP A . n A 1 199 LEU 199 199 199 LEU LEU A . n A 1 200 ALA 200 200 200 ALA ALA A . n A 1 201 SER 201 201 201 SER SER A . n A 1 202 ARG 202 202 202 ARG ARG A . n A 1 203 LEU 203 203 203 LEU LEU A . n A 1 204 ARG 204 204 204 ARG ARG A . n A 1 205 ASN 205 205 205 ASN ASN A . n A 1 206 LEU 206 206 206 LEU LEU A . n A 1 207 SER 207 207 207 SER SER A . n A 1 208 SER 208 208 208 SER SER A . n A 1 209 PRO 209 209 209 PRO PRO A . n A 1 210 LEU 210 210 210 LEU LEU A . n A 1 211 GLY 211 211 211 GLY GLY A . n A 1 212 LEU 212 212 212 LEU LEU A . n A 1 213 MET 213 213 213 MET MET A . n A 1 214 ALA 214 214 214 ALA ALA A . n A 1 215 VAL 215 215 215 VAL VAL A . n A 1 216 ASN 216 216 216 ASN ASN A . n A 1 217 GLN 217 217 217 GLN GLN A . n A 1 218 GLU 218 218 218 GLU GLU A . n A 1 219 ALA 219 219 219 ALA ALA A . n A 1 220 TRP 220 220 220 TRP TRP A . n A 1 221 ASP 221 221 221 ASP ASP A . n A 1 222 HIS 222 222 222 HIS HIS A . n A 1 223 GLY 223 223 223 GLY GLY A . n A 1 224 LEU 224 224 224 LEU LEU A . n A 1 225 ALA 225 225 225 ALA ALA A . n A 1 226 TYR 226 226 226 TYR TYR A . n A 1 227 LEU 227 227 227 LEU LEU A . n A 1 228 PRO 228 228 228 PRO PRO A . n A 1 229 PHE 229 229 229 PHE PHE A . n A 1 230 ASN 230 230 230 ASN ASN A . n A 1 231 ASN 231 231 231 ASN ASN A . n A 1 232 LYS 232 232 232 LYS LYS A . n A 1 233 LYS 233 233 233 LYS LYS A . n A 1 234 PRO 234 234 234 PRO PRO A . n A 1 235 SER 235 235 235 SER SER A . n A 1 236 PRO 236 236 236 PRO PRO A . n A 1 237 CYS 237 237 237 CYS CYS A . n A 1 238 GLU 238 238 238 GLU GLU A . n A 1 239 PHE 239 239 239 PHE PHE A . n A 1 240 ILE 240 240 240 ILE ILE A . n A 1 241 ASN 241 241 241 ASN ASN A . n A 1 242 THR 242 242 242 THR THR A . n A 1 243 THR 243 243 243 THR THR A . n A 1 244 ALA 244 244 244 ALA ALA A . n A 1 245 ARG 245 245 245 ARG ARG A . n A 1 246 VAL 246 246 246 VAL VAL A . n A 1 247 PRO 247 247 247 PRO PRO A . n A 1 248 CYS 248 248 248 CYS CYS A . n A 1 249 PHE 249 249 249 PHE PHE A . n A 1 250 LEU 250 250 250 LEU LEU A . n A 1 251 ALA 251 251 251 ALA ALA A . n A 1 252 GLY 252 252 252 GLY GLY A . n A 1 253 ASP 253 253 253 ASP ASP A . n A 1 254 PHE 254 254 254 PHE PHE A . n A 1 255 ARG 255 255 255 ARG ARG A . n A 1 256 ALA 256 256 256 ALA ALA A . n A 1 257 SER 257 257 257 SER SER A . n A 1 258 GLU 258 258 258 GLU GLU A . n A 1 259 GLN 259 259 259 GLN GLN A . n A 1 260 ILE 260 260 260 ILE ILE A . n A 1 261 LEU 261 261 261 LEU LEU A . n A 1 262 LEU 262 262 262 LEU LEU A . n A 1 263 ALA 263 263 263 ALA ALA A . n A 1 264 THR 264 264 264 THR THR A . n A 1 265 ALA 265 265 265 ALA ALA A . n A 1 266 HIS 266 266 266 HIS HIS A . n A 1 267 THR 267 267 267 THR THR A . n A 1 268 LEU 268 268 268 LEU LEU A . n A 1 269 LEU 269 269 269 LEU LEU A . n A 1 270 LEU 270 270 270 LEU LEU A . n A 1 271 ARG 271 271 271 ARG ARG A . n A 1 272 GLU 272 272 272 GLU GLU A . n A 1 273 HIS 273 273 273 HIS HIS A . n A 1 274 ASN 274 274 274 ASN ASN A . n A 1 275 ARG 275 275 275 ARG ARG A . n A 1 276 LEU 276 276 276 LEU LEU A . n A 1 277 ALA 277 277 277 ALA ALA A . n A 1 278 ARG 278 278 278 ARG ARG A . n A 1 279 GLU 279 279 279 GLU GLU A . n A 1 280 LEU 280 280 280 LEU LEU A . n A 1 281 LYS 281 281 281 LYS LYS A . n A 1 282 LYS 282 282 282 LYS LYS A . n A 1 283 LEU 283 283 283 LEU LEU A . n A 1 284 ASN 284 284 284 ASN ASN A . n A 1 285 PRO 285 285 285 PRO PRO A . n A 1 286 HIS 286 286 286 HIS HIS A . n A 1 287 TRP 287 287 287 TRP TRP A . n A 1 288 ASN 288 288 288 ASN ASN A . n A 1 289 GLY 289 289 289 GLY GLY A . n A 1 290 GLU 290 290 290 GLU GLU A . n A 1 291 LYS 291 291 291 LYS LYS A . n A 1 292 LEU 292 292 292 LEU LEU A . n A 1 293 TYR 293 293 293 TYR TYR A . n A 1 294 GLN 294 294 294 GLN GLN A . n A 1 295 GLU 295 295 295 GLU GLU A . n A 1 296 ALA 296 296 296 ALA ALA A . n A 1 297 ARG 297 297 297 ARG ARG A . n A 1 298 LYS 298 298 298 LYS LYS A . n A 1 299 ILE 299 299 299 ILE ILE A . n A 1 300 LEU 300 300 300 LEU LEU A . n A 1 301 GLY 301 301 301 GLY GLY A . n A 1 302 ALA 302 302 302 ALA ALA A . n A 1 303 PHE 303 303 303 PHE PHE A . n A 1 304 ILE 304 304 304 ILE ILE A . n A 1 305 GLN 305 305 305 GLN GLN A . n A 1 306 ILE 306 306 306 ILE ILE A . n A 1 307 ILE 307 307 307 ILE ILE A . n A 1 308 THR 308 308 308 THR THR A . n A 1 309 PHE 309 309 309 PHE PHE A . n A 1 310 ARG 310 310 310 ARG ARG A . n A 1 311 ASP 311 311 311 ASP ASP A . n A 1 312 TYR 312 312 312 TYR TYR A . n A 1 313 LEU 313 313 313 LEU LEU A . n A 1 314 PRO 314 314 314 PRO PRO A . n A 1 315 ILE 315 315 315 ILE ILE A . n A 1 316 VAL 316 316 316 VAL VAL A . n A 1 317 LEU 317 317 317 LEU LEU A . n A 1 318 GLY 318 318 318 GLY GLY A . n A 1 319 SER 319 319 319 SER SER A . n A 1 320 GLU 320 320 320 GLU GLU A . n A 1 321 MET 321 321 321 MET MET A . n A 1 322 GLN 322 322 322 GLN GLN A . n A 1 323 LYS 323 323 323 LYS LYS A . n A 1 324 TRP 324 324 324 TRP TRP A . n A 1 325 ILE 325 325 325 ILE ILE A . n A 1 326 PRO 326 326 326 PRO PRO A . n A 1 327 PRO 327 327 327 PRO PRO A . n A 1 328 TYR 328 328 328 TYR TYR A . n A 1 329 GLN 329 329 329 GLN GLN A . n A 1 330 GLY 330 330 330 GLY GLY A . n A 1 331 TYR 331 331 331 TYR TYR A . n A 1 332 ASN 332 332 332 ASN ASN A . n A 1 333 ASN 333 333 333 ASN ASN A . n A 1 334 SER 334 334 334 SER SER A . n A 1 335 VAL 335 335 335 VAL VAL A . n A 1 336 ASP 336 336 336 ASP ASP A . n A 1 337 PRO 337 337 337 PRO PRO A . n A 1 338 ARG 338 338 338 ARG ARG A . n A 1 339 ILE 339 339 339 ILE ILE A . n A 1 340 SER 340 340 340 SER SER A . n A 1 341 ASN 341 341 341 ASN ASN A . n A 1 342 VAL 342 342 342 VAL VAL A . n A 1 343 PHE 343 343 343 PHE PHE A . n A 1 344 THR 344 344 344 THR THR A . n A 1 345 PHE 345 345 345 PHE PHE A . n A 1 346 ALA 346 346 346 ALA ALA A . n A 1 347 PHE 347 347 347 PHE PHE A . n A 1 348 ARG 348 348 348 ARG ARG A . n A 1 349 PHE 349 349 349 PHE PHE A . n A 1 350 GLY 350 350 350 GLY GLY A . n A 1 351 HIS 351 351 351 HIS HIS A . n A 1 352 MET 352 352 352 MET MET A . n A 1 353 GLU 353 353 353 GLU GLU A . n A 1 354 VAL 354 354 354 VAL VAL A . n A 1 355 PRO 355 355 355 PRO PRO A . n A 1 356 SER 356 356 356 SER SER A . n A 1 357 THR 357 357 357 THR THR A . n A 1 358 VAL 358 358 358 VAL VAL A . n A 1 359 SER 359 359 359 SER SER A . n A 1 360 ARG 360 360 360 ARG ARG A . n A 1 361 LEU 361 361 361 LEU LEU A . n A 1 362 ASP 362 362 362 ASP ASP A . n A 1 363 GLU 363 363 363 GLU GLU A . n A 1 364 ASN 364 364 364 ASN ASN A . n A 1 365 TYR 365 365 365 TYR TYR A . n A 1 366 GLN 366 366 366 GLN GLN A . n A 1 367 PRO 367 367 367 PRO PRO A . n A 1 368 TRP 368 368 368 TRP TRP A . n A 1 369 GLY 369 369 369 GLY GLY A . n A 1 370 PRO 370 370 370 PRO PRO A . n A 1 371 GLU 371 371 371 GLU GLU A . n A 1 372 ALA 372 372 372 ALA ALA A . n A 1 373 GLU 373 373 373 GLU GLU A . n A 1 374 LEU 374 374 374 LEU LEU A . n A 1 375 PRO 375 375 375 PRO PRO A . n A 1 376 LEU 376 376 376 LEU LEU A . n A 1 377 HIS 377 377 377 HIS HIS A . n A 1 378 THR 378 378 378 THR THR A . n A 1 379 LEU 379 379 379 LEU LEU A . n A 1 380 PHE 380 380 380 PHE PHE A . n A 1 381 PHE 381 381 381 PHE PHE A . n A 1 382 ASN 382 382 382 ASN ASN A . n A 1 383 THR 383 383 383 THR THR A . n A 1 384 TRP 384 384 384 TRP TRP A . n A 1 385 ARG 385 385 385 ARG ARG A . n A 1 386 ILE 386 386 386 ILE ILE A . n A 1 387 ILE 387 387 387 ILE ILE A . n A 1 388 LYS 388 388 388 LYS LYS A . n A 1 389 ASP 389 389 389 ASP ASP A . n A 1 390 GLY 390 390 390 GLY GLY A . n A 1 391 GLY 391 391 391 GLY GLY A . n A 1 392 ILE 392 392 392 ILE ILE A . n A 1 393 ASP 393 393 393 ASP ASP A . n A 1 394 PRO 394 394 394 PRO PRO A . n A 1 395 LEU 395 395 395 LEU LEU A . n A 1 396 VAL 396 396 396 VAL VAL A . n A 1 397 ARG 397 397 397 ARG ARG A . n A 1 398 GLY 398 398 398 GLY GLY A . n A 1 399 LEU 399 399 399 LEU LEU A . n A 1 400 LEU 400 400 400 LEU LEU A . n A 1 401 ALA 401 401 401 ALA ALA A . n A 1 402 LYS 402 402 402 LYS LYS A . n A 1 403 LYS 403 403 403 LYS LYS A . n A 1 404 SER 404 404 404 SER SER A . n A 1 405 LYS 405 405 405 LYS LYS A . n A 1 406 LEU 406 406 406 LEU LEU A . n A 1 407 MET 407 407 407 MET MET A . n A 1 408 ASN 408 408 408 ASN ASN A . n A 1 409 GLN 409 409 409 GLN GLN A . n A 1 410 ASP 410 410 410 ASP ASP A . n A 1 411 LYS 411 411 411 LYS LYS A . n A 1 412 MET 412 412 412 MET MET A . n A 1 413 VAL 413 413 413 VAL VAL A . n A 1 414 THR 414 414 414 THR THR A . n A 1 415 SER 415 415 415 SER SER A . n A 1 416 GLU 416 416 416 GLU GLU A . n A 1 417 LEU 417 417 417 LEU LEU A . n A 1 418 ARG 418 418 418 ARG ARG A . n A 1 419 ASN 419 419 419 ASN ASN A . n A 1 420 LYS 420 420 420 LYS LYS A . n A 1 421 LEU 421 421 421 LEU LEU A . n A 1 422 PHE 422 422 422 PHE PHE A . n A 1 423 GLN 423 423 423 GLN GLN A . n A 1 424 PRO 424 424 424 PRO PRO A . n A 1 425 THR 425 425 425 THR THR A . n A 1 426 HIS 426 426 426 HIS HIS A . n A 1 427 LYS 427 427 427 LYS LYS A . n A 1 428 ILE 428 428 428 ILE ILE A . n A 1 429 HIS 429 429 429 HIS HIS A . n A 1 430 GLY 430 430 430 GLY GLY A . n A 1 431 PHE 431 431 431 PHE PHE A . n A 1 432 ASP 432 432 432 ASP ASP A . n A 1 433 LEU 433 433 433 LEU LEU A . n A 1 434 ALA 434 434 434 ALA ALA A . n A 1 435 ALA 435 435 435 ALA ALA A . n A 1 436 ILE 436 436 436 ILE ILE A . n A 1 437 ASN 437 437 437 ASN ASN A . n A 1 438 LEU 438 438 438 LEU LEU A . n A 1 439 GLN 439 439 439 GLN GLN A . n A 1 440 ARG 440 440 440 ARG ARG A . n A 1 441 CYS 441 441 441 CYS CYS A . n A 1 442 ARG 442 442 442 ARG ARG A . n A 1 443 ASP 443 443 443 ASP ASP A . n A 1 444 HIS 444 444 444 HIS HIS A . n A 1 445 GLY 445 445 445 GLY GLY A . n A 1 446 MET 446 446 446 MET MET A . n A 1 447 PRO 447 447 447 PRO PRO A . n A 1 448 GLY 448 448 448 GLY GLY A . n A 1 449 TYR 449 449 449 TYR TYR A . n A 1 450 ASN 450 450 450 ASN ASN A . n A 1 451 SER 451 451 451 SER SER A . n A 1 452 TRP 452 452 452 TRP TRP A . n A 1 453 ARG 453 453 453 ARG ARG A . n A 1 454 GLY 454 454 454 GLY GLY A . n A 1 455 PHE 455 455 455 PHE PHE A . n A 1 456 CYS 456 456 456 CYS CYS A . n A 1 457 GLY 457 457 457 GLY GLY A . n A 1 458 LEU 458 458 458 LEU LEU A . n A 1 459 SER 459 459 459 SER SER A . n A 1 460 GLN 460 460 460 GLN GLN A . n A 1 461 PRO 461 461 461 PRO PRO A . n A 1 462 LYS 462 462 462 LYS LYS A . n A 1 463 THR 463 463 463 THR THR A . n A 1 464 LEU 464 464 464 LEU LEU A . n A 1 465 LYS 465 465 465 LYS LYS A . n A 1 466 GLY 466 466 466 GLY GLY A . n A 1 467 LEU 467 467 467 LEU LEU A . n A 1 468 GLN 468 468 468 GLN GLN A . n A 1 469 THR 469 469 469 THR THR A . n A 1 470 VAL 470 470 470 VAL VAL A . n A 1 471 LEU 471 471 471 LEU LEU A . n A 1 472 LYS 472 472 472 LYS LYS A . n A 1 473 ASN 473 473 473 ASN ASN A . n A 1 474 LYS 474 474 474 LYS LYS A . n A 1 475 ILE 475 475 475 ILE ILE A . n A 1 476 LEU 476 476 476 LEU LEU A . n A 1 477 ALA 477 477 477 ALA ALA A . n A 1 478 LYS 478 478 478 LYS LYS A . n A 1 479 LYS 479 479 479 LYS LYS A . n A 1 480 LEU 480 480 480 LEU LEU A . n A 1 481 MET 481 481 481 MET MET A . n A 1 482 ASP 482 482 482 ASP ASP A . n A 1 483 LEU 483 483 483 LEU LEU A . n A 1 484 TYR 484 484 484 TYR TYR A . n A 1 485 LYS 485 485 485 LYS LYS A . n A 1 486 THR 486 486 486 THR THR A . n A 1 487 PRO 487 487 487 PRO PRO A . n A 1 488 ASP 488 488 488 ASP ASP A . n A 1 489 ASN 489 489 489 ASN ASN A . n A 1 490 ILE 490 490 490 ILE ILE A . n A 1 491 ASP 491 491 491 ASP ASP A . n A 1 492 ILE 492 492 492 ILE ILE A . n A 1 493 TRP 493 493 493 TRP TRP A . n A 1 494 ILE 494 494 494 ILE ILE A . n A 1 495 GLY 495 495 495 GLY GLY A . n A 1 496 GLY 496 496 496 GLY GLY A . n A 1 497 ASN 497 497 497 ASN ASN A . n A 1 498 ALA 498 498 498 ALA ALA A . n A 1 499 GLU 499 499 499 GLU GLU A . n A 1 500 PRO 500 500 500 PRO PRO A . n A 1 501 MET 501 501 501 MET MET A . n A 1 502 VAL 502 502 502 VAL VAL A . n A 1 503 GLU 503 503 503 GLU GLU A . n A 1 504 ARG 504 504 504 ARG ARG A . n A 1 505 GLY 505 505 505 GLY GLY A . n A 1 506 ARG 506 506 506 ARG ARG A . n A 1 507 VAL 507 507 507 VAL VAL A . n A 1 508 GLY 508 508 508 GLY GLY A . n A 1 509 PRO 509 509 509 PRO PRO A . n A 1 510 LEU 510 510 510 LEU LEU A . n A 1 511 LEU 511 511 511 LEU LEU A . n A 1 512 ALA 512 512 512 ALA ALA A . n A 1 513 CYS 513 513 513 CYS CYS A . n A 1 514 LEU 514 514 514 LEU LEU A . n A 1 515 LEU 515 515 515 LEU LEU A . n A 1 516 GLY 516 516 516 GLY GLY A . n A 1 517 ARG 517 517 517 ARG ARG A . n A 1 518 GLN 518 518 518 GLN GLN A . n A 1 519 PHE 519 519 519 PHE PHE A . n A 1 520 GLN 520 520 520 GLN GLN A . n A 1 521 GLN 521 521 521 GLN GLN A . n A 1 522 ILE 522 522 522 ILE ILE A . n A 1 523 ARG 523 523 523 ARG ARG A . n A 1 524 ASP 524 524 524 ASP ASP A . n A 1 525 GLY 525 525 525 GLY GLY A . n A 1 526 ASP 526 526 526 ASP ASP A . n A 1 527 ARG 527 527 527 ARG ARG A . n A 1 528 PHE 528 528 528 PHE PHE A . n A 1 529 TRP 529 529 529 TRP TRP A . n A 1 530 TRP 530 530 530 TRP TRP A . n A 1 531 GLU 531 531 531 GLU GLU A . n A 1 532 ASN 532 532 532 ASN ASN A . n A 1 533 PRO 533 533 533 PRO PRO A . n A 1 534 GLY 534 534 534 GLY GLY A . n A 1 535 VAL 535 535 535 VAL VAL A . n A 1 536 PHE 536 536 536 PHE PHE A . n A 1 537 THR 537 537 537 THR THR A . n A 1 538 GLU 538 538 538 GLU GLU A . n A 1 539 LYS 539 539 539 LYS LYS A . n A 1 540 GLN 540 540 540 GLN GLN A . n A 1 541 ARG 541 541 541 ARG ARG A . n A 1 542 ASP 542 542 542 ASP ASP A . n A 1 543 SER 543 543 543 SER SER A . n A 1 544 LEU 544 544 544 LEU LEU A . n A 1 545 GLN 545 545 545 GLN GLN A . n A 1 546 LYS 546 546 546 LYS LYS A . n A 1 547 VAL 547 547 547 VAL VAL A . n A 1 548 SER 548 548 548 SER SER A . n A 1 549 PHE 549 549 549 PHE PHE A . n A 1 550 SER 550 550 550 SER SER A . n A 1 551 ARG 551 551 551 ARG ARG A . n A 1 552 LEU 552 552 552 LEU LEU A . n A 1 553 ILE 553 553 553 ILE ILE A . n A 1 554 CYS 554 554 554 CYS CYS A . n A 1 555 ASP 555 555 555 ASP ASP A . n A 1 556 ASN 556 556 556 ASN ASN A . n A 1 557 THR 557 557 557 THR THR A . n A 1 558 HIS 558 558 558 HIS HIS A . n A 1 559 ILE 559 559 559 ILE ILE A . n A 1 560 THR 560 560 560 THR THR A . n A 1 561 LYS 561 561 561 LYS LYS A . n A 1 562 VAL 562 562 562 VAL VAL A . n A 1 563 PRO 563 563 563 PRO PRO A . n A 1 564 LEU 564 564 564 LEU LEU A . n A 1 565 HIS 565 565 565 HIS HIS A . n A 1 566 ALA 566 566 566 ALA ALA A . n A 1 567 PHE 567 567 567 PHE PHE A . n A 1 568 GLN 568 568 568 GLN GLN A . n A 1 569 ALA 569 569 569 ALA ALA A . n A 1 570 ASN 570 570 570 ASN ASN A . n A 1 571 ASN 571 571 571 ASN ASN A . n A 1 572 TYR 572 572 572 TYR TYR A . n A 1 573 PRO 573 573 573 PRO PRO A . n A 1 574 HIS 574 574 574 HIS HIS A . n A 1 575 ASP 575 575 575 ASP ASP A . n A 1 576 PHE 576 576 576 PHE PHE A . n A 1 577 VAL 577 577 577 VAL VAL A . n A 1 578 ASP 578 578 578 ASP ASP A . n A 1 579 CYS 579 579 579 CYS CYS A . n A 1 580 SER 580 580 580 SER SER A . n A 1 581 THR 581 581 581 THR THR A . n A 1 582 VAL 582 582 582 VAL VAL A . n A 1 583 ASP 583 583 583 ASP ASP A . n A 1 584 LYS 584 584 584 LYS LYS A . n A 1 585 LEU 585 585 585 LEU LEU A . n A 1 586 ASP 586 586 586 ASP ASP A . n A 1 587 LEU 587 587 587 LEU LEU A . n A 1 588 SER 588 588 588 SER SER A . n A 1 589 PRO 589 589 589 PRO PRO A . n A 1 590 TRP 590 590 590 TRP TRP A . n A 1 591 ALA 591 591 591 ALA ALA A . n A 1 592 SER 592 592 592 SER SER A . n A 1 593 ARG 593 593 593 ARG ARG A . n A 1 594 GLU 594 594 594 GLU GLU A . n A 1 595 ASN 595 595 595 ASN ASN A . n # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code B 2 NAG 1 596 596 NAG NAG A . C 2 NAG 2 597 597 NAG NAG A . D 3 MAN 3 598 598 MAN MAN A . E 2 NAG 1 599 599 NAG NAG A . F 2 NAG 2 600 600 NAG NAG A . G 2 NAG 1 601 601 NAG NAG A . H 3 MAN 2 602 602 MAN MAN A . I 2 NAG 3 603 603 NAG NAG A . J 2 NAG 1 604 604 NAG NAG A . K 2 NAG 2 605 605 NAG NAG A . L 4 CA 1 606 606 CA CA A . M 5 SCN 1 607 607 SCN SCN A . N 6 NO3 1 608 608 NO3 NO3 A . O 6 NO3 1 609 609 NO3 NO3 A . P 6 NO3 1 610 610 NO3 NO3 A . Q 6 NO3 1 611 611 NO3 NO3 A . R 6 NO3 1 612 612 NO3 NO3 A . S 7 HEM 1 613 613 HEM HEM A . T 8 OSM 1 614 614 OSM OSM A . U 9 HOH 1 615 615 HOH HOH A . U 9 HOH 2 616 616 HOH HOH A . U 9 HOH 3 617 617 HOH HOH A . U 9 HOH 4 618 618 HOH HOH A . U 9 HOH 5 619 619 HOH HOH A . U 9 HOH 6 620 620 HOH HOH A . U 9 HOH 7 621 621 HOH HOH A . U 9 HOH 8 622 622 HOH HOH A . U 9 HOH 9 623 623 HOH HOH A . U 9 HOH 10 624 624 HOH HOH A . U 9 HOH 11 625 625 HOH HOH A . U 9 HOH 12 626 626 HOH HOH A . U 9 HOH 13 627 627 HOH HOH A . U 9 HOH 14 628 628 HOH HOH A . U 9 HOH 15 629 629 HOH HOH A . U 9 HOH 16 630 630 HOH HOH A . U 9 HOH 17 631 631 HOH HOH A . U 9 HOH 18 632 632 HOH HOH A . U 9 HOH 19 633 633 HOH HOH A . U 9 HOH 20 634 634 HOH HOH A . U 9 HOH 21 635 635 HOH HOH A . U 9 HOH 22 636 636 HOH HOH A . U 9 HOH 23 637 637 HOH HOH A . U 9 HOH 24 638 638 HOH HOH A . U 9 HOH 25 639 639 HOH HOH A . U 9 HOH 26 640 640 HOH HOH A . U 9 HOH 27 641 641 HOH HOH A . U 9 HOH 28 642 642 HOH HOH A . U 9 HOH 29 643 643 HOH HOH A . U 9 HOH 30 644 644 HOH HOH A . U 9 HOH 31 645 645 HOH HOH A . U 9 HOH 32 646 646 HOH HOH A . U 9 HOH 33 647 647 HOH HOH A . U 9 HOH 34 648 648 HOH HOH A . U 9 HOH 35 649 649 HOH HOH A . U 9 HOH 36 650 650 HOH HOH A . U 9 HOH 37 651 651 HOH HOH A . U 9 HOH 38 652 652 HOH HOH A . U 9 HOH 39 653 653 HOH HOH A . U 9 HOH 40 654 654 HOH HOH A . U 9 HOH 41 655 655 HOH HOH A . U 9 HOH 42 656 656 HOH HOH A . U 9 HOH 43 657 657 HOH HOH A . U 9 HOH 44 658 658 HOH HOH A . U 9 HOH 45 659 659 HOH HOH A . U 9 HOH 46 660 660 HOH HOH A . U 9 HOH 47 661 661 HOH HOH A . U 9 HOH 48 662 662 HOH HOH A . U 9 HOH 49 663 663 HOH HOH A . U 9 HOH 50 664 664 HOH HOH A . U 9 HOH 51 665 665 HOH HOH A . U 9 HOH 52 666 666 HOH HOH A . U 9 HOH 53 667 667 HOH HOH A . U 9 HOH 54 668 668 HOH HOH A . U 9 HOH 55 669 669 HOH HOH A . U 9 HOH 56 670 670 HOH HOH A . U 9 HOH 57 671 671 HOH HOH A . U 9 HOH 58 672 672 HOH HOH A . U 9 HOH 59 673 673 HOH HOH A . U 9 HOH 60 674 674 HOH HOH A . U 9 HOH 61 675 675 HOH HOH A . U 9 HOH 62 676 676 HOH HOH A . U 9 HOH 63 677 677 HOH HOH A . U 9 HOH 64 678 678 HOH HOH A . U 9 HOH 65 679 679 HOH HOH A . U 9 HOH 66 680 680 HOH HOH A . U 9 HOH 67 681 681 HOH HOH A . U 9 HOH 68 682 682 HOH HOH A . U 9 HOH 69 683 683 HOH HOH A . U 9 HOH 70 684 684 HOH HOH A . U 9 HOH 71 685 685 HOH HOH A . U 9 HOH 72 686 686 HOH HOH A . U 9 HOH 73 687 687 HOH HOH A . U 9 HOH 74 688 688 HOH HOH A . U 9 HOH 75 689 689 HOH HOH A . U 9 HOH 76 690 690 HOH HOH A . U 9 HOH 77 691 691 HOH HOH A . U 9 HOH 78 692 692 HOH HOH A . U 9 HOH 79 693 693 HOH HOH A . U 9 HOH 80 694 694 HOH HOH A . U 9 HOH 81 695 695 HOH HOH A . U 9 HOH 82 696 696 HOH HOH A . U 9 HOH 83 697 697 HOH HOH A . U 9 HOH 84 698 698 HOH HOH A . U 9 HOH 85 699 699 HOH HOH A . U 9 HOH 86 700 700 HOH HOH A . U 9 HOH 87 701 701 HOH HOH A . U 9 HOH 88 702 702 HOH HOH A . U 9 HOH 89 703 703 HOH HOH A . U 9 HOH 90 704 704 HOH HOH A . U 9 HOH 91 705 705 HOH HOH A . U 9 HOH 92 706 706 HOH HOH A . U 9 HOH 93 707 707 HOH HOH A . U 9 HOH 94 708 708 HOH HOH A . U 9 HOH 95 709 709 HOH HOH A . U 9 HOH 96 710 710 HOH HOH A . U 9 HOH 97 711 711 HOH HOH A . U 9 HOH 98 712 712 HOH HOH A . U 9 HOH 99 713 713 HOH HOH A . U 9 HOH 100 714 714 HOH HOH A . U 9 HOH 101 715 715 HOH HOH A . U 9 HOH 102 716 716 HOH HOH A . U 9 HOH 103 717 717 HOH HOH A . U 9 HOH 104 718 718 HOH HOH A . U 9 HOH 105 719 719 HOH HOH A . U 9 HOH 106 720 720 HOH HOH A . U 9 HOH 107 721 721 HOH HOH A . U 9 HOH 108 722 722 HOH HOH A . U 9 HOH 109 723 723 HOH HOH A . U 9 HOH 110 724 724 HOH HOH A . U 9 HOH 111 725 725 HOH HOH A . U 9 HOH 112 726 726 HOH HOH A . U 9 HOH 113 727 727 HOH HOH A . U 9 HOH 114 728 728 HOH HOH A . U 9 HOH 115 729 729 HOH HOH A . U 9 HOH 116 730 730 HOH HOH A . U 9 HOH 117 731 731 HOH HOH A . U 9 HOH 118 732 732 HOH HOH A . U 9 HOH 119 733 733 HOH HOH A . U 9 HOH 120 734 734 HOH HOH A . U 9 HOH 121 735 735 HOH HOH A . U 9 HOH 122 736 736 HOH HOH A . U 9 HOH 123 737 737 HOH HOH A . U 9 HOH 124 738 738 HOH HOH A . U 9 HOH 125 739 739 HOH HOH A . U 9 HOH 126 740 740 HOH HOH A . U 9 HOH 127 741 741 HOH HOH A . U 9 HOH 128 742 742 HOH HOH A . U 9 HOH 129 743 743 HOH HOH A . U 9 HOH 130 744 744 HOH HOH A . U 9 HOH 131 745 745 HOH HOH A . U 9 HOH 132 746 746 HOH HOH A . U 9 HOH 133 747 747 HOH HOH A . U 9 HOH 134 748 748 HOH HOH A . U 9 HOH 135 749 749 HOH HOH A . U 9 HOH 136 750 750 HOH HOH A . U 9 HOH 137 751 751 HOH HOH A . U 9 HOH 138 752 752 HOH HOH A . U 9 HOH 139 753 753 HOH HOH A . U 9 HOH 140 754 754 HOH HOH A . U 9 HOH 141 755 755 HOH HOH A . U 9 HOH 142 756 756 HOH HOH A . U 9 HOH 143 757 757 HOH HOH A . U 9 HOH 144 758 758 HOH HOH A . U 9 HOH 145 759 759 HOH HOH A . U 9 HOH 146 760 760 HOH HOH A . U 9 HOH 147 761 761 HOH HOH A . U 9 HOH 148 762 762 HOH HOH A . U 9 HOH 149 763 763 HOH HOH A . U 9 HOH 150 764 764 HOH HOH A . U 9 HOH 151 765 765 HOH HOH A . U 9 HOH 152 766 766 HOH HOH A . U 9 HOH 153 767 767 HOH HOH A . U 9 HOH 154 768 768 HOH HOH A . U 9 HOH 155 769 769 HOH HOH A . U 9 HOH 156 770 770 HOH HOH A . U 9 HOH 157 771 771 HOH HOH A . U 9 HOH 158 772 772 HOH HOH A . U 9 HOH 159 773 773 HOH HOH A . U 9 HOH 160 774 774 HOH HOH A . U 9 HOH 161 775 775 HOH HOH A . U 9 HOH 162 776 776 HOH HOH A . U 9 HOH 163 777 777 HOH HOH A . U 9 HOH 164 778 778 HOH HOH A . U 9 HOH 165 779 779 HOH HOH A . U 9 HOH 166 780 780 HOH HOH A . U 9 HOH 167 781 781 HOH HOH A . U 9 HOH 168 782 782 HOH HOH A . U 9 HOH 169 783 783 HOH HOH A . U 9 HOH 170 784 784 HOH HOH A . U 9 HOH 171 785 785 HOH HOH A . U 9 HOH 172 786 786 HOH HOH A . U 9 HOH 173 787 787 HOH HOH A . U 9 HOH 174 788 788 HOH HOH A . U 9 HOH 175 789 789 HOH HOH A . U 9 HOH 176 790 790 HOH HOH A . U 9 HOH 177 791 791 HOH HOH A . U 9 HOH 178 792 792 HOH HOH A . U 9 HOH 179 793 793 HOH HOH A . U 9 HOH 180 794 794 HOH HOH A . U 9 HOH 181 795 795 HOH HOH A . U 9 HOH 182 796 796 HOH HOH A . U 9 HOH 183 797 797 HOH HOH A . U 9 HOH 184 798 798 HOH HOH A . U 9 HOH 185 799 799 HOH HOH A . U 9 HOH 186 800 800 HOH HOH A . U 9 HOH 187 801 801 HOH HOH A . U 9 HOH 188 802 802 HOH HOH A . U 9 HOH 189 803 803 HOH HOH A . U 9 HOH 190 804 804 HOH HOH A . U 9 HOH 191 805 805 HOH HOH A . U 9 HOH 192 806 806 HOH HOH A . U 9 HOH 193 807 807 HOH HOH A . U 9 HOH 194 808 808 HOH HOH A . U 9 HOH 195 809 808 HOH HOH A . U 9 HOH 196 810 810 HOH HOH A . U 9 HOH 197 811 811 HOH HOH A . U 9 HOH 198 812 812 HOH HOH A . U 9 HOH 199 813 813 HOH HOH A . U 9 HOH 200 814 814 HOH HOH A . U 9 HOH 201 815 815 HOH HOH A . U 9 HOH 202 816 816 HOH HOH A . U 9 HOH 203 817 817 HOH HOH A . U 9 HOH 204 818 818 HOH HOH A . U 9 HOH 205 819 819 HOH HOH A . U 9 HOH 206 820 820 HOH HOH A . U 9 HOH 207 821 821 HOH HOH A . U 9 HOH 208 822 822 HOH HOH A . U 9 HOH 209 823 823 HOH HOH A . U 9 HOH 210 824 824 HOH HOH A . U 9 HOH 211 825 825 HOH HOH A . U 9 HOH 212 826 826 HOH HOH A . U 9 HOH 213 827 827 HOH HOH A . U 9 HOH 214 828 828 HOH HOH A . U 9 HOH 215 829 829 HOH HOH A . U 9 HOH 216 830 830 HOH HOH A . U 9 HOH 217 831 831 HOH HOH A . U 9 HOH 218 832 832 HOH HOH A . U 9 HOH 219 833 833 HOH HOH A . U 9 HOH 220 834 834 HOH HOH A . U 9 HOH 221 835 835 HOH HOH A . U 9 HOH 222 836 836 HOH HOH A . U 9 HOH 223 837 837 HOH HOH A . U 9 HOH 224 838 838 HOH HOH A . U 9 HOH 225 839 839 HOH HOH A . U 9 HOH 226 840 840 HOH HOH A . U 9 HOH 227 841 841 HOH HOH A . U 9 HOH 228 842 842 HOH HOH A . U 9 HOH 229 843 843 HOH HOH A . U 9 HOH 230 844 844 HOH HOH A . U 9 HOH 231 845 845 HOH HOH A . U 9 HOH 232 846 846 HOH HOH A . U 9 HOH 233 847 847 HOH HOH A . U 9 HOH 234 848 848 HOH HOH A . U 9 HOH 235 849 849 HOH HOH A . U 9 HOH 236 850 850 HOH HOH A . U 9 HOH 237 851 851 HOH HOH A . U 9 HOH 238 852 852 HOH HOH A . U 9 HOH 239 853 853 HOH HOH A . U 9 HOH 240 854 854 HOH HOH A . U 9 HOH 241 855 855 HOH HOH A . U 9 HOH 242 856 856 HOH HOH A . U 9 HOH 243 857 857 HOH HOH A . U 9 HOH 244 858 858 HOH HOH A . U 9 HOH 245 859 859 HOH HOH A . U 9 HOH 246 860 860 HOH HOH A . U 9 HOH 247 861 861 HOH HOH A . U 9 HOH 248 862 862 HOH HOH A . U 9 HOH 249 863 863 HOH HOH A . U 9 HOH 250 864 864 HOH HOH A . U 9 HOH 251 865 865 HOH HOH A . U 9 HOH 252 866 866 HOH HOH A . U 9 HOH 253 867 867 HOH HOH A . U 9 HOH 254 868 868 HOH HOH A . U 9 HOH 255 869 869 HOH HOH A . U 9 HOH 256 870 870 HOH HOH A . U 9 HOH 257 871 871 HOH HOH A . U 9 HOH 258 872 872 HOH HOH A . U 9 HOH 259 873 873 HOH HOH A . U 9 HOH 260 874 874 HOH HOH A . U 9 HOH 261 875 875 HOH HOH A . U 9 HOH 262 876 876 HOH HOH A . U 9 HOH 263 877 877 HOH HOH A . U 9 HOH 264 878 878 HOH HOH A . U 9 HOH 265 879 879 HOH HOH A . U 9 HOH 266 880 880 HOH HOH A . U 9 HOH 267 881 881 HOH HOH A . U 9 HOH 268 882 882 HOH HOH A . U 9 HOH 269 883 883 HOH HOH A . U 9 HOH 270 884 884 HOH HOH A . U 9 HOH 271 885 885 HOH HOH A . U 9 HOH 272 886 886 HOH HOH A . U 9 HOH 273 887 887 HOH HOH A . U 9 HOH 274 888 888 HOH HOH A . U 9 HOH 275 889 889 HOH HOH A . U 9 HOH 276 890 890 HOH HOH A . U 9 HOH 277 891 891 HOH HOH A . U 9 HOH 278 892 892 HOH HOH A . U 9 HOH 279 893 893 HOH HOH A . U 9 HOH 280 894 894 HOH HOH A . U 9 HOH 281 895 895 HOH HOH A . U 9 HOH 282 896 896 HOH HOH A . U 9 HOH 283 897 897 HOH HOH A . U 9 HOH 284 898 898 HOH HOH A . U 9 HOH 285 899 899 HOH HOH A . U 9 HOH 286 900 900 HOH HOH A . U 9 HOH 287 901 901 HOH HOH A . U 9 HOH 288 902 902 HOH HOH A . U 9 HOH 289 903 903 HOH HOH A . U 9 HOH 290 904 904 HOH HOH A . U 9 HOH 291 905 905 HOH HOH A . U 9 HOH 292 906 906 HOH HOH A . U 9 HOH 293 907 907 HOH HOH A . U 9 HOH 294 908 908 HOH HOH A . U 9 HOH 295 909 909 HOH HOH A . U 9 HOH 296 910 910 HOH HOH A . U 9 HOH 297 911 911 HOH HOH A . U 9 HOH 298 912 912 HOH HOH A . U 9 HOH 299 913 913 HOH HOH A . U 9 HOH 300 914 914 HOH HOH A . U 9 HOH 301 915 915 HOH HOH A . U 9 HOH 302 916 916 HOH HOH A . U 9 HOH 303 917 917 HOH HOH A . U 9 HOH 304 918 918 HOH HOH A . U 9 HOH 305 919 919 HOH HOH A . U 9 HOH 306 920 920 HOH HOH A . U 9 HOH 307 921 921 HOH HOH A . U 9 HOH 308 922 922 HOH HOH A . U 9 HOH 309 923 923 HOH HOH A . U 9 HOH 310 924 924 HOH HOH A . U 9 HOH 311 925 925 HOH HOH A . U 9 HOH 312 926 926 HOH HOH A . U 9 HOH 313 927 927 HOH HOH A . U 9 HOH 314 928 928 HOH HOH A . U 9 HOH 315 929 929 HOH HOH A . U 9 HOH 316 930 930 HOH HOH A . U 9 HOH 317 931 931 HOH HOH A . U 9 HOH 318 932 932 HOH HOH A . U 9 HOH 319 933 933 HOH HOH A . U 9 HOH 320 934 934 HOH HOH A . U 9 HOH 321 935 935 HOH HOH A . U 9 HOH 322 936 936 HOH HOH A . U 9 HOH 323 937 937 HOH HOH A . U 9 HOH 324 938 938 HOH HOH A . U 9 HOH 325 939 939 HOH HOH A . U 9 HOH 326 940 940 HOH HOH A . U 9 HOH 327 941 941 HOH HOH A . U 9 HOH 328 942 942 HOH HOH A . U 9 HOH 329 943 943 HOH HOH A . U 9 HOH 330 944 944 HOH HOH A . U 9 HOH 331 945 945 HOH HOH A . U 9 HOH 332 946 946 HOH HOH A . U 9 HOH 333 947 947 HOH HOH A . U 9 HOH 334 948 948 HOH HOH A . U 9 HOH 335 949 949 HOH HOH A . U 9 HOH 336 950 950 HOH HOH A . U 9 HOH 337 951 951 HOH HOH A . U 9 HOH 338 952 952 HOH HOH A . U 9 HOH 339 953 953 HOH HOH A . U 9 HOH 340 954 954 HOH HOH A . U 9 HOH 341 955 955 HOH HOH A . U 9 HOH 342 956 956 HOH HOH A . U 9 HOH 343 957 957 HOH HOH A . U 9 HOH 344 958 958 HOH HOH A . U 9 HOH 345 959 959 HOH HOH A . U 9 HOH 346 960 960 HOH HOH A . U 9 HOH 347 961 961 HOH HOH A . U 9 HOH 348 962 962 HOH HOH A . U 9 HOH 349 963 963 HOH HOH A . U 9 HOH 350 964 964 HOH HOH A . U 9 HOH 351 965 965 HOH HOH A . U 9 HOH 352 966 966 HOH HOH A . U 9 HOH 353 967 967 HOH HOH A . U 9 HOH 354 968 968 HOH HOH A . U 9 HOH 355 969 969 HOH HOH A . U 9 HOH 356 970 970 HOH HOH A . U 9 HOH 357 971 971 HOH HOH A . U 9 HOH 358 972 972 HOH HOH A . U 9 HOH 359 973 973 HOH HOH A . U 9 HOH 360 974 974 HOH HOH A . U 9 HOH 361 975 975 HOH HOH A . U 9 HOH 362 976 976 HOH HOH A . U 9 HOH 363 977 977 HOH HOH A . U 9 HOH 364 978 978 HOH HOH A . U 9 HOH 365 979 979 HOH HOH A . U 9 HOH 366 980 980 HOH HOH A . U 9 HOH 367 981 981 HOH HOH A . U 9 HOH 368 982 982 HOH HOH A . U 9 HOH 369 983 983 HOH HOH A . U 9 HOH 370 984 984 HOH HOH A . U 9 HOH 371 985 985 HOH HOH A . U 9 HOH 372 986 986 HOH HOH A . U 9 HOH 373 987 987 HOH HOH A . U 9 HOH 374 988 988 HOH HOH A . U 9 HOH 375 989 989 HOH HOH A . U 9 HOH 376 990 990 HOH HOH A . U 9 HOH 377 991 991 HOH HOH A . U 9 HOH 378 992 992 HOH HOH A . U 9 HOH 379 993 993 HOH HOH A . U 9 HOH 380 994 994 HOH HOH A . U 9 HOH 381 995 995 HOH HOH A . U 9 HOH 382 996 996 HOH HOH A . U 9 HOH 383 997 997 HOH HOH A . U 9 HOH 384 998 998 HOH HOH A . U 9 HOH 385 999 999 HOH HOH A . U 9 HOH 386 1000 1000 HOH HOH A . U 9 HOH 387 1001 1001 HOH HOH A . U 9 HOH 388 1002 1002 HOH HOH A . U 9 HOH 389 1003 1003 HOH HOH A . U 9 HOH 390 1004 1004 HOH HOH A . U 9 HOH 391 1005 1005 HOH HOH A . U 9 HOH 392 1006 1006 HOH HOH A . U 9 HOH 393 1007 1007 HOH HOH A . U 9 HOH 394 1008 1008 HOH HOH A . U 9 HOH 395 1009 1009 HOH HOH A . U 9 HOH 396 1010 1010 HOH HOH A . U 9 HOH 397 1011 1011 HOH HOH A . U 9 HOH 398 1012 1012 HOH HOH A . U 9 HOH 399 1013 1013 HOH HOH A . U 9 HOH 400 1014 1014 HOH HOH A . U 9 HOH 401 1015 1015 HOH HOH A . U 9 HOH 402 1016 1016 HOH HOH A . U 9 HOH 403 1017 1017 HOH HOH A . U 9 HOH 404 1018 1018 HOH HOH A . U 9 HOH 405 1019 1019 HOH HOH A . U 9 HOH 406 1020 1020 HOH HOH A . U 9 HOH 407 1021 1021 HOH HOH A . U 9 HOH 408 1022 1022 HOH HOH A . U 9 HOH 409 1023 1023 HOH HOH A . U 9 HOH 410 1024 1024 HOH HOH A . U 9 HOH 411 1025 1025 HOH HOH A . U 9 HOH 412 1026 1026 HOH HOH A . U 9 HOH 413 1027 1027 HOH HOH A . # loop_ _pdbx_struct_mod_residue.id _pdbx_struct_mod_residue.label_asym_id _pdbx_struct_mod_residue.label_comp_id _pdbx_struct_mod_residue.label_seq_id _pdbx_struct_mod_residue.auth_asym_id _pdbx_struct_mod_residue.auth_comp_id _pdbx_struct_mod_residue.auth_seq_id _pdbx_struct_mod_residue.PDB_ins_code _pdbx_struct_mod_residue.parent_comp_id _pdbx_struct_mod_residue.details 1 A ASN 95 A ASN 95 ? ASN 'GLYCOSYLATION SITE' 2 A ASN 205 A ASN 205 ? ASN 'GLYCOSYLATION SITE' 3 A ASN 241 A ASN 241 ? ASN 'GLYCOSYLATION SITE' 4 A ASN 332 A ASN 332 ? ASN 'GLYCOSYLATION SITE' 5 A SEP 198 A SEP 198 ? SER PHOSPHOSERINE # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_and_software_defined_assembly _pdbx_struct_assembly.method_details PISA _pdbx_struct_assembly.oligomeric_details monomeric _pdbx_struct_assembly.oligomeric_count 1 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H,I,J,K,L,M,N,O,P,Q,R,S,T,U # _pdbx_struct_oper_list.id 1 _pdbx_struct_oper_list.type 'identity operation' _pdbx_struct_oper_list.name 1_555 _pdbx_struct_oper_list.symmetry_operation x,y,z _pdbx_struct_oper_list.matrix[1][1] 1.0000000000 _pdbx_struct_oper_list.matrix[1][2] 0.0000000000 _pdbx_struct_oper_list.matrix[1][3] 0.0000000000 _pdbx_struct_oper_list.vector[1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][2] 1.0000000000 _pdbx_struct_oper_list.matrix[2][3] 0.0000000000 _pdbx_struct_oper_list.vector[2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][1] 0.0000000000 _pdbx_struct_oper_list.matrix[3][2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][3] 1.0000000000 _pdbx_struct_oper_list.vector[3] 0.0000000000 # loop_ _pdbx_struct_conn_angle.id _pdbx_struct_conn_angle.ptnr1_label_atom_id _pdbx_struct_conn_angle.ptnr1_label_alt_id _pdbx_struct_conn_angle.ptnr1_label_asym_id _pdbx_struct_conn_angle.ptnr1_label_comp_id _pdbx_struct_conn_angle.ptnr1_label_seq_id _pdbx_struct_conn_angle.ptnr1_auth_atom_id _pdbx_struct_conn_angle.ptnr1_auth_asym_id _pdbx_struct_conn_angle.ptnr1_auth_comp_id _pdbx_struct_conn_angle.ptnr1_auth_seq_id _pdbx_struct_conn_angle.ptnr1_PDB_ins_code _pdbx_struct_conn_angle.ptnr1_symmetry _pdbx_struct_conn_angle.ptnr2_label_atom_id _pdbx_struct_conn_angle.ptnr2_label_alt_id _pdbx_struct_conn_angle.ptnr2_label_asym_id _pdbx_struct_conn_angle.ptnr2_label_comp_id _pdbx_struct_conn_angle.ptnr2_label_seq_id _pdbx_struct_conn_angle.ptnr2_auth_atom_id _pdbx_struct_conn_angle.ptnr2_auth_asym_id _pdbx_struct_conn_angle.ptnr2_auth_comp_id _pdbx_struct_conn_angle.ptnr2_auth_seq_id _pdbx_struct_conn_angle.ptnr2_PDB_ins_code _pdbx_struct_conn_angle.ptnr2_symmetry _pdbx_struct_conn_angle.ptnr3_label_atom_id _pdbx_struct_conn_angle.ptnr3_label_alt_id _pdbx_struct_conn_angle.ptnr3_label_asym_id _pdbx_struct_conn_angle.ptnr3_label_comp_id _pdbx_struct_conn_angle.ptnr3_label_seq_id _pdbx_struct_conn_angle.ptnr3_auth_atom_id _pdbx_struct_conn_angle.ptnr3_auth_asym_id _pdbx_struct_conn_angle.ptnr3_auth_comp_id _pdbx_struct_conn_angle.ptnr3_auth_seq_id _pdbx_struct_conn_angle.ptnr3_PDB_ins_code _pdbx_struct_conn_angle.ptnr3_symmetry _pdbx_struct_conn_angle.value _pdbx_struct_conn_angle.value_esd 1 O ? A ASP 110 ? A ASP 110 ? 1_555 CA ? L CA . ? A CA 606 ? 1_555 OD1 ? A ASP 110 ? A ASP 110 ? 1_555 72.1 ? 2 O ? A ASP 110 ? A ASP 110 ? 1_555 CA ? L CA . ? A CA 606 ? 1_555 O ? A THR 184 ? A THR 184 ? 1_555 78.3 ? 3 OD1 ? A ASP 110 ? A ASP 110 ? 1_555 CA ? L CA . ? A CA 606 ? 1_555 O ? A THR 184 ? A THR 184 ? 1_555 140.2 ? 4 O ? A ASP 110 ? A ASP 110 ? 1_555 CA ? L CA . ? A CA 606 ? 1_555 OG1 ? A THR 184 ? A THR 184 ? 1_555 130.3 ? 5 OD1 ? A ASP 110 ? A ASP 110 ? 1_555 CA ? L CA . ? A CA 606 ? 1_555 OG1 ? A THR 184 ? A THR 184 ? 1_555 148.3 ? 6 O ? A THR 184 ? A THR 184 ? 1_555 CA ? L CA . ? A CA 606 ? 1_555 OG1 ? A THR 184 ? A THR 184 ? 1_555 71.4 ? 7 O ? A ASP 110 ? A ASP 110 ? 1_555 CA ? L CA . ? A CA 606 ? 1_555 O ? A PHE 186 ? A PHE 186 ? 1_555 119.5 ? 8 OD1 ? A ASP 110 ? A ASP 110 ? 1_555 CA ? L CA . ? A CA 606 ? 1_555 O ? A PHE 186 ? A PHE 186 ? 1_555 82.0 ? 9 O ? A THR 184 ? A THR 184 ? 1_555 CA ? L CA . ? A CA 606 ? 1_555 O ? A PHE 186 ? A PHE 186 ? 1_555 90.5 ? 10 OG1 ? A THR 184 ? A THR 184 ? 1_555 CA ? L CA . ? A CA 606 ? 1_555 O ? A PHE 186 ? A PHE 186 ? 1_555 99.5 ? 11 O ? A ASP 110 ? A ASP 110 ? 1_555 CA ? L CA . ? A CA 606 ? 1_555 OD1 ? A ASP 188 ? A ASP 188 ? 1_555 143.7 ? 12 OD1 ? A ASP 110 ? A ASP 110 ? 1_555 CA ? L CA . ? A CA 606 ? 1_555 OD1 ? A ASP 188 ? A ASP 188 ? 1_555 78.5 ? 13 O ? A THR 184 ? A THR 184 ? 1_555 CA ? L CA . ? A CA 606 ? 1_555 OD1 ? A ASP 188 ? A ASP 188 ? 1_555 137.2 ? 14 OG1 ? A THR 184 ? A THR 184 ? 1_555 CA ? L CA . ? A CA 606 ? 1_555 OD1 ? A ASP 188 ? A ASP 188 ? 1_555 71.4 ? 15 O ? A PHE 186 ? A PHE 186 ? 1_555 CA ? L CA . ? A CA 606 ? 1_555 OD1 ? A ASP 188 ? A ASP 188 ? 1_555 75.6 ? 16 O ? A ASP 110 ? A ASP 110 ? 1_555 CA ? L CA . ? A CA 606 ? 1_555 OG ? A SER 190 ? A SER 190 ? 1_555 82.0 ? 17 OD1 ? A ASP 110 ? A ASP 110 ? 1_555 CA ? L CA . ? A CA 606 ? 1_555 OG ? A SER 190 ? A SER 190 ? 1_555 88.3 ? 18 O ? A THR 184 ? A THR 184 ? 1_555 CA ? L CA . ? A CA 606 ? 1_555 OG ? A SER 190 ? A SER 190 ? 1_555 113.4 ? 19 OG1 ? A THR 184 ? A THR 184 ? 1_555 CA ? L CA . ? A CA 606 ? 1_555 OG ? A SER 190 ? A SER 190 ? 1_555 75.4 ? 20 O ? A PHE 186 ? A PHE 186 ? 1_555 CA ? L CA . ? A CA 606 ? 1_555 OG ? A SER 190 ? A SER 190 ? 1_555 151.5 ? 21 OD1 ? A ASP 188 ? A ASP 188 ? 1_555 CA ? L CA . ? A CA 606 ? 1_555 OG ? A SER 190 ? A SER 190 ? 1_555 76.3 ? 22 NE2 ? A HIS 351 ? A HIS 351 ? 1_555 FE ? S HEM . ? A HEM 613 ? 1_555 NA ? S HEM . ? A HEM 613 ? 1_555 98.0 ? 23 NE2 ? A HIS 351 ? A HIS 351 ? 1_555 FE ? S HEM . ? A HEM 613 ? 1_555 NB ? S HEM . ? A HEM 613 ? 1_555 97.2 ? 24 NA ? S HEM . ? A HEM 613 ? 1_555 FE ? S HEM . ? A HEM 613 ? 1_555 NB ? S HEM . ? A HEM 613 ? 1_555 89.9 ? 25 NE2 ? A HIS 351 ? A HIS 351 ? 1_555 FE ? S HEM . ? A HEM 613 ? 1_555 NC ? S HEM . ? A HEM 613 ? 1_555 96.7 ? 26 NA ? S HEM . ? A HEM 613 ? 1_555 FE ? S HEM . ? A HEM 613 ? 1_555 NC ? S HEM . ? A HEM 613 ? 1_555 165.0 ? 27 NB ? S HEM . ? A HEM 613 ? 1_555 FE ? S HEM . ? A HEM 613 ? 1_555 NC ? S HEM . ? A HEM 613 ? 1_555 85.1 ? 28 NE2 ? A HIS 351 ? A HIS 351 ? 1_555 FE ? S HEM . ? A HEM 613 ? 1_555 ND ? S HEM . ? A HEM 613 ? 1_555 95.1 ? 29 NA ? S HEM . ? A HEM 613 ? 1_555 FE ? S HEM . ? A HEM 613 ? 1_555 ND ? S HEM . ? A HEM 613 ? 1_555 90.6 ? 30 NB ? S HEM . ? A HEM 613 ? 1_555 FE ? S HEM . ? A HEM 613 ? 1_555 ND ? S HEM . ? A HEM 613 ? 1_555 167.5 ? 31 NC ? S HEM . ? A HEM 613 ? 1_555 FE ? S HEM . ? A HEM 613 ? 1_555 ND ? S HEM . ? A HEM 613 ? 1_555 91.2 ? # 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 2008-03-25 2 'Structure model' 1 1 2011-07-13 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # loop_ _pdbx_audit_revision_group.ordinal _pdbx_audit_revision_group.revision_ordinal _pdbx_audit_revision_group.data_content_type _pdbx_audit_revision_group.group 1 2 'Structure model' 'Non-polymer description' 2 2 'Structure model' 'Version format compliance' # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal REFMAC refinement 5.0 ? 1 MAR345dtb 'data collection' . ? 2 DENZO 'data reduction' . ? 3 SCALEPACK 'data scaling' . ? 4 AMoRE phasing . ? 5 # _pdbx_validate_close_contact.id 1 _pdbx_validate_close_contact.PDB_model_num 1 _pdbx_validate_close_contact.auth_atom_id_1 C _pdbx_validate_close_contact.auth_asym_id_1 A _pdbx_validate_close_contact.auth_comp_id_1 VAL _pdbx_validate_close_contact.auth_seq_id_1 10 _pdbx_validate_close_contact.PDB_ins_code_1 ? _pdbx_validate_close_contact.label_alt_id_1 ? _pdbx_validate_close_contact.auth_atom_id_2 CD _pdbx_validate_close_contact.auth_asym_id_2 A _pdbx_validate_close_contact.auth_comp_id_2 PRO _pdbx_validate_close_contact.auth_seq_id_2 11 _pdbx_validate_close_contact.PDB_ins_code_2 ? _pdbx_validate_close_contact.label_alt_id_2 ? _pdbx_validate_close_contact.dist 1.72 # _pdbx_validate_rmsd_bond.id 1 _pdbx_validate_rmsd_bond.PDB_model_num 1 _pdbx_validate_rmsd_bond.auth_atom_id_1 N _pdbx_validate_rmsd_bond.auth_asym_id_1 A _pdbx_validate_rmsd_bond.auth_comp_id_1 PRO _pdbx_validate_rmsd_bond.auth_seq_id_1 168 _pdbx_validate_rmsd_bond.PDB_ins_code_1 ? _pdbx_validate_rmsd_bond.label_alt_id_1 ? _pdbx_validate_rmsd_bond.auth_atom_id_2 CA _pdbx_validate_rmsd_bond.auth_asym_id_2 A _pdbx_validate_rmsd_bond.auth_comp_id_2 PRO _pdbx_validate_rmsd_bond.auth_seq_id_2 168 _pdbx_validate_rmsd_bond.PDB_ins_code_2 ? _pdbx_validate_rmsd_bond.label_alt_id_2 ? _pdbx_validate_rmsd_bond.bond_value 1.593 _pdbx_validate_rmsd_bond.bond_target_value 1.468 _pdbx_validate_rmsd_bond.bond_deviation 0.125 _pdbx_validate_rmsd_bond.bond_standard_deviation 0.017 _pdbx_validate_rmsd_bond.linker_flag N # loop_ _pdbx_validate_rmsd_angle.id _pdbx_validate_rmsd_angle.PDB_model_num _pdbx_validate_rmsd_angle.auth_atom_id_1 _pdbx_validate_rmsd_angle.auth_asym_id_1 _pdbx_validate_rmsd_angle.auth_comp_id_1 _pdbx_validate_rmsd_angle.auth_seq_id_1 _pdbx_validate_rmsd_angle.PDB_ins_code_1 _pdbx_validate_rmsd_angle.label_alt_id_1 _pdbx_validate_rmsd_angle.auth_atom_id_2 _pdbx_validate_rmsd_angle.auth_asym_id_2 _pdbx_validate_rmsd_angle.auth_comp_id_2 _pdbx_validate_rmsd_angle.auth_seq_id_2 _pdbx_validate_rmsd_angle.PDB_ins_code_2 _pdbx_validate_rmsd_angle.label_alt_id_2 _pdbx_validate_rmsd_angle.auth_atom_id_3 _pdbx_validate_rmsd_angle.auth_asym_id_3 _pdbx_validate_rmsd_angle.auth_comp_id_3 _pdbx_validate_rmsd_angle.auth_seq_id_3 _pdbx_validate_rmsd_angle.PDB_ins_code_3 _pdbx_validate_rmsd_angle.label_alt_id_3 _pdbx_validate_rmsd_angle.angle_value _pdbx_validate_rmsd_angle.angle_target_value _pdbx_validate_rmsd_angle.angle_deviation _pdbx_validate_rmsd_angle.angle_standard_deviation _pdbx_validate_rmsd_angle.linker_flag 1 1 C A ALA 8 ? ? N A PRO 9 ? ? CD A PRO 9 ? ? 112.75 128.40 -15.65 2.10 Y 2 1 CA A PRO 9 ? ? N A PRO 9 ? ? CD A PRO 9 ? ? 99.53 111.70 -12.17 1.40 N 3 1 N A VAL 10 ? ? CA A VAL 10 ? ? C A VAL 10 ? ? 140.86 111.00 29.86 2.70 N 4 1 C A VAL 10 ? ? N A PRO 11 ? ? CA A PRO 11 ? ? 142.70 119.30 23.40 1.50 Y 5 1 C A VAL 10 ? ? N A PRO 11 ? ? CD A PRO 11 ? ? 75.53 128.40 -52.87 2.10 Y 6 1 CB A CYS 167 ? ? CA A CYS 167 ? ? C A CYS 167 ? ? 124.84 111.50 13.34 1.20 N 7 1 CA A PRO 168 ? ? N A PRO 168 ? ? CD A PRO 168 ? ? 100.12 111.70 -11.58 1.40 N 8 1 CA A PRO 170 ? ? N A PRO 170 ? ? CD A PRO 170 ? ? 101.67 111.70 -10.03 1.40 N 9 1 N A SER 174 ? ? CA A SER 174 ? ? C A SER 174 ? ? 129.17 111.00 18.17 2.70 N 10 1 C A ILE 325 ? ? N A PRO 326 ? ? CD A PRO 326 ? ? 110.18 128.40 -18.22 2.10 Y 11 1 CA A PRO 326 ? ? N A PRO 326 ? ? CD A PRO 326 ? ? 100.83 111.70 -10.87 1.40 N # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 ALA A 8 ? ? -123.68 -87.47 2 1 PRO A 9 ? ? -69.26 65.51 3 1 PRO A 11 ? ? 73.06 82.34 4 1 ASN A 18 ? ? -146.07 12.03 5 1 ALA A 56 ? ? -151.52 -23.51 6 1 GLN A 63 ? ? -67.95 58.01 7 1 ARG A 64 ? ? -160.99 -13.54 8 1 GLU A 118 ? ? -106.13 -87.20 9 1 ASN A 122 ? ? 80.05 52.01 10 1 ASP A 137 ? ? 51.81 -141.37 11 1 CYS A 167 ? ? 58.57 -144.30 12 1 PRO A 168 ? ? -57.29 -144.28 13 1 THR A 169 ? ? -164.42 -20.53 14 1 PRO A 170 ? ? -56.80 -164.83 15 1 TYR A 172 ? ? 72.01 -171.04 16 1 GLN A 173 ? ? -165.66 -63.16 17 1 SER A 174 ? ? -34.07 -81.86 18 1 SEP A 198 ? ? -10.85 -83.22 19 1 PRO A 209 ? ? -88.83 44.41 20 1 GLU A 371 ? ? -114.44 52.50 21 1 THR A 486 ? ? 179.80 126.65 # _pdbx_validate_peptide_omega.id 1 _pdbx_validate_peptide_omega.PDB_model_num 1 _pdbx_validate_peptide_omega.auth_comp_id_1 PRO _pdbx_validate_peptide_omega.auth_asym_id_1 A _pdbx_validate_peptide_omega.auth_seq_id_1 197 _pdbx_validate_peptide_omega.PDB_ins_code_1 ? _pdbx_validate_peptide_omega.label_alt_id_1 ? _pdbx_validate_peptide_omega.auth_comp_id_2 SEP _pdbx_validate_peptide_omega.auth_asym_id_2 A _pdbx_validate_peptide_omega.auth_seq_id_2 198 _pdbx_validate_peptide_omega.PDB_ins_code_2 ? _pdbx_validate_peptide_omega.label_alt_id_2 ? _pdbx_validate_peptide_omega.omega 139.42 # _pdbx_validate_main_chain_plane.id 1 _pdbx_validate_main_chain_plane.PDB_model_num 1 _pdbx_validate_main_chain_plane.auth_comp_id SEP _pdbx_validate_main_chain_plane.auth_asym_id A _pdbx_validate_main_chain_plane.auth_seq_id 198 _pdbx_validate_main_chain_plane.PDB_ins_code ? _pdbx_validate_main_chain_plane.label_alt_id ? _pdbx_validate_main_chain_plane.improper_torsion_angle 18.00 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 N-ACETYL-D-GLUCOSAMINE NAG 3 ALPHA-D-MANNOSE MAN 4 'CALCIUM ION' CA 5 'THIOCYANATE ION' SCN 6 'NITRATE ION' NO3 7 'PROTOPORPHYRIN IX CONTAINING FE' HEM 8 '1-(OXIDOSULFANYL)METHANAMINE' OSM 9 water HOH #