data_4Y55 # _entry.id 4Y55 # _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 4Y55 WWPDB D_1000206814 # _pdbx_database_related.db_name PDB _pdbx_database_related.details 'Crystal structure of a ternary complex of buffalo lactoperoxidase with nitrate and iodide at 2.8 A resolution' _pdbx_database_related.db_id 2O86 _pdbx_database_related.content_type unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.entry_id 4Y55 _pdbx_database_status.recvd_initial_deposition_date 2015-02-11 _pdbx_database_status.SG_entry N _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site PDBJ _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? _pdbx_database_status.pdb_format_compatible Y # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Gupta, A.' 1 'Tyagi, T.K.' 2 'Kaur, P.' 3 'Sharma, S.' 4 'Singh, T.P.' 5 # _citation.abstract ? _citation.abstract_id_CAS ? _citation.book_id_ISBN ? _citation.book_publisher ? _citation.book_publisher_city ? _citation.book_title ? _citation.coordinate_linkage ? _citation.country ? _citation.database_id_Medline ? _citation.details ? _citation.id primary _citation.journal_abbrev 'To Be Published' _citation.journal_id_ASTM ? _citation.journal_id_CSD 0353 _citation.journal_id_ISSN ? _citation.journal_full ? _citation.journal_issue ? _citation.journal_volume ? _citation.language ? _citation.page_first ? _citation.page_last ? _citation.title 'Crystal structure of Buffalo lactoperoxidase with Rhodanide at 2.09 Angstrom resolution' _citation.year ? _citation.database_id_CSD ? _citation.pdbx_database_id_DOI ? _citation.pdbx_database_id_PubMed ? _citation.unpublished_flag ? # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Gupta, A.' 1 primary 'Tyagi, T.K.' 2 primary 'Kaur, P.' 3 primary 'Sharma, S.' 4 primary 'Singh, T.P.' 5 # _cell.length_a 54.012 _cell.length_b 80.047 _cell.length_c 76.800 _cell.angle_alpha 90.000 _cell.angle_beta 102.640 _cell.angle_gamma 90.000 _cell.entry_id 4Y55 _cell.Z_PDB 2 _cell.pdbx_unique_axis ? # _symmetry.space_group_name_H-M 'P 1 21 1' _symmetry.entry_id 4Y55 _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 4 # 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 67817.188 1 1.11.1.7 ? ? ? 2 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 8 ? ? ? ? 3 non-polymer man BETA-D-MANNOSE 180.156 1 ? ? ? ? 4 non-polymer man ALPHA-D-MANNOSE 180.156 1 ? ? ? ? 5 non-polymer syn 'CALCIUM ION' 40.078 1 ? ? ? ? 6 non-polymer syn 'IODIDE ION' 126.904 6 ? ? ? ? 7 non-polymer syn 'NITRATE ION' 62.005 4 ? ? ? ? 8 non-polymer syn 'PROTOPORPHYRIN IX CONTAINING FE' 616.487 1 ? ? ? ? 9 non-polymer syn 'THIOCYANATE ION' 58.082 4 ? ? ? ? 10 water nat water 18.015 174 ? ? ? ? # _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 KIVGYLDEDGVLDQNRSLLFMQWGQIVDHDLDFAPETELGSNEHSKTQCEEYCIQGDNCFPIMFPKNDPKLKTQGKCMPF FRAGFVCPTPPYQSLAREQINAVTSFLDASLVYGSEP(SEP)LASRLQNLSSPLGLMAVNQEAWDHGLAYLPFNNRKPSP CEFINTTARVPCFLAGDFRASEQILLATAHTLLLREHNRLARELKKLNPQWDGEKLYQEARKILGAFVQIITFRDYLPIV LGSEMQKWIPPYQGYNNSVDPRISNVFTFAFRFGHMEVPSTVSRLDENYQPWGPEAELPLHTLFFNTWRIIKDGGIDPLV RGLLAKKSKLMNQDKMVTSELRNKLFQPTHKIHGFDLAAINLQRCRDHGMPGYNSWRGFCGLSQPKTLKGLQTVLKNKIL AKKLMDLYKTPDNIDIWIGGNAEPMVERGRVGPLLACLLGRQFQQIRDGDRFWWENPGVFTEKQRDSLQKMSFSRLICDN THITKVPLHAFQANNYPHDFVDCSAVDKLDLSPWASREN ; _entity_poly.pdbx_seq_one_letter_code_can ;SWEVGCGAPVPLVKCDENSPYRTITGDCNNRRSPALGAANRALARWLPAEYEDGLALPFGWTQRKTRNGFRVPLAREVSN KIVGYLDEDGVLDQNRSLLFMQWGQIVDHDLDFAPETELGSNEHSKTQCEEYCIQGDNCFPIMFPKNDPKLKTQGKCMPF FRAGFVCPTPPYQSLAREQINAVTSFLDASLVYGSEPSLASRLQNLSSPLGLMAVNQEAWDHGLAYLPFNNRKPSPCEFI NTTARVPCFLAGDFRASEQILLATAHTLLLREHNRLARELKKLNPQWDGEKLYQEARKILGAFVQIITFRDYLPIVLGSE MQKWIPPYQGYNNSVDPRISNVFTFAFRFGHMEVPSTVSRLDENYQPWGPEAELPLHTLFFNTWRIIKDGGIDPLVRGLL AKKSKLMNQDKMVTSELRNKLFQPTHKIHGFDLAAINLQRCRDHGMPGYNSWRGFCGLSQPKTLKGLQTVLKNKILAKKL MDLYKTPDNIDIWIGGNAEPMVERGRVGPLLACLLGRQFQQIRDGDRFWWENPGVFTEKQRDSLQKMSFSRLICDNTHIT KVPLHAFQANNYPHDFVDCSAVDKLDLSPWASREN ; _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 ASP 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 GLN 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 ARG 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 GLN n 1 287 TRP n 1 288 ASP 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 VAL 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 MET 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 ALA 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 1 _entity_src_nat.pdbx_end_seq_num 595 _entity_src_nat.common_name ? _entity_src_nat.pdbx_organism_scientific 'Bubalus bubalis' _entity_src_nat.pdbx_ncbi_taxonomy_id 89462 _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 milk _entity_src_nat.details ? # _struct_ref.db_code 4Y55 _struct_ref.db_name PDB _struct_ref.details ? _struct_ref.entity_id 1 _struct_ref.id 1 _struct_ref.seq_align ? _struct_ref.seq_dif ? _struct_ref.pdbx_db_accession 4Y55 _struct_ref.pdbx_db_isoform ? _struct_ref.pdbx_seq_one_letter_code ? _struct_ref.pdbx_align_begin 1 _struct_ref.pdbx_align_end ? # _struct_ref_seq.align_id 1 _struct_ref_seq.ref_id 1 _struct_ref_seq.pdbx_PDB_id_code 4Y55 _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 4Y55 _struct_ref_seq.db_align_beg 1 _struct_ref_seq.pdbx_db_align_beg_ins_code ? _struct_ref_seq.db_align_end 595 _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 BMA D-saccharide . BETA-D-MANNOSE ? 'C6 H12 O6' 180.156 CA non-polymer . 'CALCIUM ION' ? 'Ca 2' 40.078 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HEM non-polymer . 'PROTOPORPHYRIN IX CONTAINING FE' HEME 'C34 H32 Fe N4 O4' 616.487 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 IOD non-polymer . 'IODIDE ION' ? 'I -1' 126.904 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MAN D-saccharide . ALPHA-D-MANNOSE ? 'C6 H12 O6' 180.156 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 NO3 non-polymer . 'NITRATE ION' ? 'N O3 -1' 62.005 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.absorpt_coefficient_mu ? _exptl.absorpt_correction_T_max ? _exptl.absorpt_correction_T_min ? _exptl.absorpt_correction_type ? _exptl.absorpt_process_details ? _exptl.entry_id 4Y55 _exptl.crystals_number 1 _exptl.details ? _exptl.method 'X-RAY DIFFRACTION' _exptl.method_details ? # _exptl_crystal.colour ? _exptl_crystal.density_diffrn ? _exptl_crystal.density_Matthews 2.39 _exptl_crystal.density_method ? _exptl_crystal.density_percent_sol 48.51 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.id 1 _exptl_crystal.preparation ? _exptl_crystal.size_max ? _exptl_crystal.size_mid ? _exptl_crystal.size_min ? _exptl_crystal.size_rad ? _exptl_crystal.colour_lustre ? _exptl_crystal.colour_modifier ? _exptl_crystal.colour_primary ? _exptl_crystal.density_meas ? _exptl_crystal.density_meas_esd ? _exptl_crystal.density_meas_gt ? _exptl_crystal.density_meas_lt ? _exptl_crystal.density_meas_temp ? _exptl_crystal.density_meas_temp_esd ? _exptl_crystal.density_meas_temp_gt ? _exptl_crystal.density_meas_temp_lt ? _exptl_crystal.pdbx_crystal_image_url ? _exptl_crystal.pdbx_crystal_image_format ? _exptl_crystal.pdbx_mosaicity ? _exptl_crystal.pdbx_mosaicity_esd ? # _exptl_crystal_grow.apparatus ? _exptl_crystal_grow.atmosphere ? _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.details ? _exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP' _exptl_crystal_grow.method_ref ? _exptl_crystal_grow.pH 6.8 _exptl_crystal_grow.pressure ? _exptl_crystal_grow.pressure_esd ? _exptl_crystal_grow.seeding ? _exptl_crystal_grow.seeding_ref ? _exptl_crystal_grow.temp 298 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.temp_esd ? _exptl_crystal_grow.time ? _exptl_crystal_grow.pdbx_details 'Ammonium Iodide' _exptl_crystal_grow.pdbx_pH_range 6.2-6.8 # _diffrn.ambient_environment ? _diffrn.ambient_temp 77 _diffrn.ambient_temp_details ? _diffrn.ambient_temp_esd ? _diffrn.crystal_id 1 _diffrn.crystal_support ? _diffrn.crystal_treatment ? _diffrn.details ? _diffrn.id 1 _diffrn.ambient_pressure ? _diffrn.ambient_pressure_esd ? _diffrn.ambient_pressure_gt ? _diffrn.ambient_pressure_lt ? _diffrn.ambient_temp_gt ? _diffrn.ambient_temp_lt ? # _diffrn_detector.details ? _diffrn_detector.detector CCD _diffrn_detector.diffrn_id 1 _diffrn_detector.type MARRESEARCH _diffrn_detector.area_resol_mean ? _diffrn_detector.dtime ? _diffrn_detector.pdbx_frames_total ? _diffrn_detector.pdbx_collection_time_total ? _diffrn_detector.pdbx_collection_date 2014-11-15 # _diffrn_radiation.collimation ? _diffrn_radiation.diffrn_id 1 _diffrn_radiation.filter_edge ? _diffrn_radiation.inhomogeneity ? _diffrn_radiation.monochromator graphite _diffrn_radiation.polarisn_norm ? _diffrn_radiation.polarisn_ratio ? _diffrn_radiation.probe ? _diffrn_radiation.type ? _diffrn_radiation.xray_symbol ? _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.pdbx_wavelength_list ? _diffrn_radiation.pdbx_wavelength ? _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_analyzer ? _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 0.97 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.current ? _diffrn_source.details ? _diffrn_source.diffrn_id 1 _diffrn_source.power ? _diffrn_source.size ? _diffrn_source.source SYNCHROTRON _diffrn_source.target ? _diffrn_source.type 'ESRF BEAMLINE BM14' _diffrn_source.voltage ? _diffrn_source.take-off_angle ? _diffrn_source.pdbx_wavelength_list 0.97 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_synchrotron_beamline BM14 _diffrn_source.pdbx_synchrotron_site ESRF # _reflns.B_iso_Wilson_estimate ? _reflns.entry_id 4Y55 _reflns.data_reduction_details ? _reflns.data_reduction_method ? _reflns.d_resolution_high 2.090 _reflns.d_resolution_low 50.000 _reflns.details ? _reflns.limit_h_max ? _reflns.limit_h_min ? _reflns.limit_k_max ? _reflns.limit_k_min ? _reflns.limit_l_max ? _reflns.limit_l_min ? _reflns.number_all ? _reflns.number_obs 37445 _reflns.observed_criterion ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.observed_criterion_I_max ? _reflns.observed_criterion_I_min ? _reflns.observed_criterion_sigma_F ? _reflns.observed_criterion_sigma_I ? _reflns.percent_possible_obs 98.600 _reflns.R_free_details ? _reflns.Rmerge_F_all ? _reflns.Rmerge_F_obs ? _reflns.Friedel_coverage ? _reflns.number_gt ? _reflns.threshold_expression ? _reflns.pdbx_redundancy 3.900 _reflns.pdbx_Rmerge_I_obs 0.133 _reflns.pdbx_Rmerge_I_all ? _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_av_sigmaI 29.764 _reflns.pdbx_netI_over_sigmaI 12.000 _reflns.pdbx_res_netI_over_av_sigmaI_2 ? _reflns.pdbx_res_netI_over_sigmaI_2 ? _reflns.pdbx_chi_squared 9.222 _reflns.pdbx_scaling_rejects ? _reflns.pdbx_d_res_high_opt ? _reflns.pdbx_d_res_low_opt ? _reflns.pdbx_d_res_opt_method ? _reflns.phase_calculation_details ? _reflns.pdbx_Rrim_I_all 0.154 _reflns.pdbx_Rpim_I_all 0.077 _reflns.pdbx_d_opt ? _reflns.pdbx_number_measured_all 144160 _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 _reflns.pdbx_CC_half ? _reflns.pdbx_R_split ? # loop_ _reflns_shell.d_res_high _reflns_shell.d_res_low _reflns_shell.meanI_over_sigI_all _reflns_shell.meanI_over_sigI_obs _reflns_shell.number_measured_all _reflns_shell.number_measured_obs _reflns_shell.number_possible _reflns_shell.number_unique_all _reflns_shell.number_unique_obs _reflns_shell.percent_possible_all _reflns_shell.percent_possible_obs _reflns_shell.Rmerge_F_all _reflns_shell.Rmerge_F_obs _reflns_shell.Rmerge_I_all _reflns_shell.Rmerge_I_obs _reflns_shell.meanI_over_sigI_gt _reflns_shell.meanI_over_uI_all _reflns_shell.meanI_over_uI_gt _reflns_shell.number_measured_gt _reflns_shell.number_unique_gt _reflns_shell.percent_possible_gt _reflns_shell.Rmerge_F_gt _reflns_shell.Rmerge_I_gt _reflns_shell.pdbx_redundancy _reflns_shell.pdbx_Rsym_value _reflns_shell.pdbx_chi_squared _reflns_shell.pdbx_netI_over_sigmaI_all _reflns_shell.pdbx_netI_over_sigmaI_obs _reflns_shell.pdbx_Rrim_I_all _reflns_shell.pdbx_Rpim_I_all _reflns_shell.pdbx_rejects _reflns_shell.pdbx_ordinal _reflns_shell.pdbx_diffrn_id _reflns_shell.pdbx_CC_half _reflns_shell.pdbx_R_split 2.090 2.130 ? ? ? ? ? 1849 ? 100.000 ? ? ? ? 0.773 ? ? ? ? ? ? ? ? 4.100 ? 1.011 ? ? 0.890 0.438 0 1 1 0.781 ? 2.130 2.160 ? ? ? ? ? 1832 ? 100.000 ? ? ? ? 0.554 ? ? ? ? ? ? ? ? 4.100 ? 1.062 ? ? 0.638 0.313 0 2 1 0.838 ? 2.160 2.210 ? ? ? ? ? 1810 ? 97.700 ? ? ? ? 0.699 ? ? ? ? ? ? ? ? 3.800 ? 1.315 ? ? 0.813 0.410 0 3 1 0.834 ? 2.210 2.250 ? ? ? ? ? 1730 ? 92.700 ? ? ? ? 0.739 ? ? ? ? ? ? ? ? 3.100 ? 98.002 ? ? 0.869 0.451 0 4 1 0.298 ? 2.250 2.300 ? ? ? ? ? 1814 ? 97.600 ? ? ? ? 0.535 ? ? ? ? ? ? ? ? 3.600 ? 1.502 ? ? 0.627 0.322 0 5 1 0.881 ? 2.300 2.350 ? ? ? ? ? 1843 ? 100.000 ? ? ? ? 0.343 ? ? ? ? ? ? ? ? 4.100 ? 1.389 ? ? 0.395 0.194 0 6 1 0.926 ? 2.350 2.410 ? ? ? ? ? 1846 ? 100.000 ? ? ? ? 0.311 ? ? ? ? ? ? ? ? 4.100 ? 1.533 ? ? 0.357 0.175 0 7 1 0.933 ? 2.410 2.480 ? ? ? ? ? 1863 ? 100.000 ? ? ? ? 0.258 ? ? ? ? ? ? ? ? 4.100 ? 1.677 ? ? 0.296 0.145 0 8 1 0.951 ? 2.480 2.550 ? ? ? ? ? 1886 ? 100.000 ? ? ? ? 0.227 ? ? ? ? ? ? ? ? 4.100 ? 1.896 ? ? 0.261 0.127 0 9 1 0.959 ? 2.550 2.630 ? ? ? ? ? 1835 ? 99.600 ? ? ? ? 0.262 ? ? ? ? ? ? ? ? 3.900 ? 3.850 ? ? 0.305 0.154 0 10 1 0.876 ? 2.630 2.730 ? ? ? ? ? 1852 ? 99.800 ? ? ? ? 0.382 ? ? ? ? ? ? ? ? 3.900 ? 17.407 ? ? 0.442 0.221 0 11 1 0.661 ? 2.730 2.840 ? ? ? ? ? 1893 ? 100.000 ? ? ? ? 0.154 ? ? ? ? ? ? ? ? 4.100 ? 2.857 ? ? 0.177 0.086 0 12 1 0.977 ? 2.840 2.970 ? ? ? ? ? 1842 ? 100.000 ? ? ? ? 0.135 ? ? ? ? ? ? ? ? 4.100 ? 3.492 ? ? 0.154 0.075 0 13 1 0.980 ? 2.970 3.120 ? ? ? ? ? 1850 ? 100.000 ? ? ? ? 0.124 ? ? ? ? ? ? ? ? 4.100 ? 4.442 ? ? 0.142 0.069 0 14 1 0.984 ? 3.120 3.320 ? ? ? ? ? 1885 ? 100.000 ? ? ? ? 0.110 ? ? ? ? ? ? ? ? 4.100 ? 5.825 ? ? 0.126 0.061 0 15 1 0.987 ? 3.320 3.570 ? ? ? ? ? 1800 ? 96.700 ? ? ? ? 0.161 ? ? ? ? ? ? ? ? 3.600 ? 21.013 ? ? 0.186 0.092 0 16 1 0.941 ? 3.570 3.930 ? ? ? ? ? 1776 ? 94.600 ? ? ? ? 0.184 ? ? ? ? ? ? ? ? 3.700 ? 40.209 ? ? 0.213 0.107 0 17 1 0.813 ? 3.930 4.500 ? ? ? ? ? 1785 ? 95.000 ? ? ? ? 0.063 ? ? ? ? ? ? ? ? 3.900 ? 5.430 ? ? 0.073 0.036 0 18 1 0.994 ? 4.500 5.670 ? ? ? ? ? 1850 ? 98.500 ? ? ? ? 0.051 ? ? ? ? ? ? ? ? 4.000 ? 4.254 ? ? 0.058 0.029 0 19 1 0.996 ? 5.670 50.000 ? ? ? ? ? 1917 ? 99.000 ? ? ? ? 0.038 ? ? ? ? ? ? ? ? 3.900 ? 4.005 ? ? 0.044 0.022 0 20 1 0.998 ? # _refine.entry_id 4Y55 _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.ls_d_res_high 2.1000 _refine.ls_d_res_low 35.3300 _refine.pdbx_ls_sigma_F 0.000 _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.ls_percent_reflns_obs 97.3800 _refine.ls_number_reflns_obs 34643 _refine.ls_number_reflns_all ? _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.ls_matrix_type ? _refine.pdbx_R_Free_selection_details RANDOM _refine.details 'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES : REFINED INDIVIDUALLY' _refine.ls_R_factor_all ? _refine.ls_R_factor_obs 0.2387 _refine.ls_R_factor_R_work 0.2356 _refine.ls_wR_factor_R_work ? _refine.ls_R_factor_R_free 0.2981 _refine.ls_wR_factor_R_free ? _refine.ls_percent_reflns_R_free 5.0000 _refine.ls_number_reflns_R_free 1821 _refine.ls_number_reflns_R_work ? _refine.ls_R_factor_R_free_error ? _refine.B_iso_mean 52.0900 _refine.solvent_model_param_bsol ? _refine.solvent_model_param_ksol ? _refine.pdbx_isotropic_thermal_model ? _refine.aniso_B[1][1] -0.7900 _refine.aniso_B[2][2] -1.6100 _refine.aniso_B[3][3] 2.4300 _refine.aniso_B[1][2] -0.0000 _refine.aniso_B[1][3] -1.1900 _refine.aniso_B[2][3] -0.0000 _refine.correlation_coeff_Fo_to_Fc 0.9400 _refine.correlation_coeff_Fo_to_Fc_free 0.9110 _refine.overall_SU_R_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? _refine.overall_SU_R_free ? _refine.pdbx_overall_ESU_R 0.3080 _refine.pdbx_overall_ESU_R_Free 0.2480 _refine.overall_SU_ML 0.1960 _refine.overall_SU_B 7.4320 _refine.solvent_model_details MASK _refine.pdbx_solvent_vdw_probe_radii 1.2000 _refine.pdbx_solvent_ion_probe_radii 0.8000 _refine.pdbx_solvent_shrinkage_radii 0.8000 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.pdbx_starting_model 2O86 _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD' _refine.pdbx_stereochem_target_val_spec_case ? _refine.overall_FOM_work_R_set ? _refine.B_iso_max 169.910 _refine.B_iso_min 17.730 _refine.pdbx_overall_phase_error ? _refine.occupancy_max ? _refine.occupancy_min ? _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_R_factor_R_free_error_details ? # _refine_hist.cycle_id final _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.d_res_high 2.1000 _refine_hist.d_res_low 35.3300 _refine_hist.pdbx_number_atoms_ligand 212 _refine_hist.number_atoms_solvent 174 _refine_hist.number_atoms_total 5156 _refine_hist.pdbx_number_residues_total 595 _refine_hist.pdbx_B_iso_mean_ligand 71.73 _refine_hist.pdbx_B_iso_mean_solvent 47.76 _refine_hist.pdbx_number_atoms_protein 4770 _refine_hist.pdbx_number_atoms_nucleic_acid 0 # loop_ _refine_ls_restr.pdbx_refine_id _refine_ls_restr.type _refine_ls_restr.number _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.pdbx_restraint_function 'X-RAY DIFFRACTION' r_bond_refined_d 5130 0.015 0.019 ? ? 'X-RAY DIFFRACTION' r_bond_other_d 4765 0.002 0.020 ? ? 'X-RAY DIFFRACTION' r_angle_refined_deg 6988 1.823 2.003 ? ? 'X-RAY DIFFRACTION' r_angle_other_deg 10903 0.910 3.003 ? ? 'X-RAY DIFFRACTION' r_dihedral_angle_1_deg 594 7.934 5.000 ? ? 'X-RAY DIFFRACTION' r_dihedral_angle_2_deg 240 37.820 23.792 ? ? 'X-RAY DIFFRACTION' r_dihedral_angle_3_deg 822 18.647 15.000 ? ? 'X-RAY DIFFRACTION' r_dihedral_angle_4_deg 38 17.581 15.000 ? ? 'X-RAY DIFFRACTION' r_chiral_restr 748 0.112 0.200 ? ? 'X-RAY DIFFRACTION' r_gen_planes_refined 5740 0.009 0.021 ? ? 'X-RAY DIFFRACTION' r_gen_planes_other 1212 0.004 0.020 ? ? 'X-RAY DIFFRACTION' r_mcbond_it 2387 4.131 5.021 ? ? 'X-RAY DIFFRACTION' r_mcbond_other 2381 4.119 5.018 ? ? 'X-RAY DIFFRACTION' r_mcangle_it 2972 5.890 7.515 ? ? # _refine_ls_shell.d_res_high 2.0980 _refine_ls_shell.d_res_low 2.1530 _refine_ls_shell.pdbx_total_number_of_bins_used 20 _refine_ls_shell.percent_reflns_obs 93.6100 _refine_ls_shell.number_reflns_R_work 2448 _refine_ls_shell.R_factor_all ? _refine_ls_shell.R_factor_R_work 0.2750 _refine_ls_shell.R_factor_R_free 0.3540 _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.number_reflns_R_free 114 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.number_reflns_all 2562 _refine_ls_shell.number_reflns_obs ? _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_ls_shell.R_factor_obs ? # _struct.entry_id 4Y55 _struct.title 'Crystal structure of Buffalo lactoperoxidase with Rhodanide at 2.09 Angstrom resolution' _struct.pdbx_descriptor 'Lactoperoxidase (E.C.1.11.1.7)' _struct.pdbx_model_details ? _struct.pdbx_formula_weight ? _struct.pdbx_formula_weight_method ? _struct.pdbx_model_type_details ? _struct.pdbx_CASP_flag ? # _struct_keywords.entry_id 4Y55 _struct_keywords.text 'Lactoperoxidase, Oxidoreductase, Substrate' _struct_keywords.pdbx_keywords OXIDOREDUCTASE # 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 2 ? I N N 4 ? J N N 2 ? K N N 2 ? L N N 5 ? M N N 6 ? N N N 6 ? O N N 6 ? P N N 6 ? Q N N 6 ? R N N 7 ? S N N 7 ? T N N 7 ? U N N 7 ? V N N 8 ? W N N 9 ? X N N 9 ? Y N N 9 ? Z N N 9 ? AA N N 6 ? BA N N 10 ? # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 AA1 LEU A 74 ? VAL A 83 ? LEU A 74 VAL A 83 1 ? 10 HELX_P HELX_P2 AA2 SER A 97 ? ASP A 112 ? SER A 97 ASP A 112 1 ? 16 HELX_P HELX_P3 AA3 LYS A 126 ? CYS A 133 ? LYS A 126 CYS A 133 1 ? 8 HELX_P HELX_P4 AA4 ASP A 148 ? GLY A 155 ? ASP A 148 GLY A 155 1 ? 8 HELX_P HELX_P5 AA5 ALA A 189 ? GLY A 194 ? ALA A 189 GLY A 194 1 ? 6 HELX_P HELX_P6 AA6 GLU A 196 ? LEU A 203 ? GLU A 196 LEU A 203 1 ? 8 HELX_P HELX_P7 AA7 SER A 235 ? ASN A 241 ? SER A 235 ASN A 241 1 ? 7 HELX_P HELX_P8 AA8 GLN A 259 ? ASN A 284 ? GLN A 259 ASN A 284 1 ? 26 HELX_P HELX_P9 AA9 ASP A 288 ? ASP A 311 ? ASP A 288 ASP A 311 1 ? 24 HELX_P HELX_P10 AB1 ASP A 311 ? GLY A 318 ? ASP A 311 GLY A 318 1 ? 8 HELX_P HELX_P11 AB2 GLU A 320 ? ILE A 325 ? GLU A 320 ILE A 325 1 ? 6 HELX_P HELX_P12 AB3 VAL A 342 ? PHE A 347 ? VAL A 342 PHE A 347 1 ? 6 HELX_P HELX_P13 AB4 ARG A 348 ? VAL A 354 ? ARG A 348 VAL A 354 5 ? 7 HELX_P HELX_P14 AB5 HIS A 377 ? PHE A 380 ? HIS A 377 PHE A 380 5 ? 4 HELX_P HELX_P15 AB6 THR A 383 ? LYS A 388 ? THR A 383 LYS A 388 1 ? 6 HELX_P HELX_P16 AB7 ILE A 392 ? LYS A 402 ? ILE A 392 LYS A 402 1 ? 11 HELX_P HELX_P17 AB8 THR A 414 ? ASN A 419 ? THR A 414 ASN A 419 1 ? 6 HELX_P HELX_P18 AB9 ASP A 432 ? HIS A 444 ? ASP A 432 HIS A 444 1 ? 13 HELX_P HELX_P19 AC1 GLY A 448 ? CYS A 456 ? GLY A 448 CYS A 456 1 ? 9 HELX_P HELX_P20 AC2 THR A 463 ? LEU A 471 ? THR A 463 LEU A 471 1 ? 9 HELX_P HELX_P21 AC3 ASN A 473 ? LYS A 485 ? ASN A 473 LYS A 485 1 ? 13 HELX_P HELX_P22 AC4 THR A 486 ? ILE A 490 ? THR A 486 ILE A 490 5 ? 5 HELX_P HELX_P23 AC5 ASP A 491 ? GLU A 499 ? ASP A 491 GLU A 499 1 ? 9 HELX_P HELX_P24 AC6 GLY A 508 ? GLY A 525 ? GLY A 508 GLY A 525 1 ? 18 HELX_P HELX_P25 AC7 THR A 537 ? GLN A 545 ? THR A 537 GLN A 545 1 ? 9 HELX_P HELX_P26 AC8 SER A 548 ? THR A 557 ? SER A 548 THR A 557 1 ? 10 HELX_P HELX_P27 AC9 SER A 580 ? VAL A 582 ? SER A 580 VAL A 582 5 ? 3 HELX_P HELX_P28 AD1 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 ? ? ? ? ? ? ? 2.738 ? disulf2 disulf ? ? A CYS 15 SG ? ? ? 1_555 A CYS 28 SG ? ? A CYS 15 A CYS 28 1_555 ? ? ? ? ? ? ? 2.024 ? disulf3 disulf ? ? A CYS 129 SG ? ? ? 1_555 A CYS 139 SG ? ? A CYS 129 A CYS 139 1_555 ? ? ? ? ? ? ? 2.025 ? disulf4 disulf ? ? A CYS 133 SG ? ? ? 1_555 A CYS 157 SG ? ? A CYS 133 A CYS 157 1_555 ? ? ? ? ? ? ? 2.059 ? disulf5 disulf ? ? A CYS 237 SG ? ? ? 1_555 A CYS 248 SG ? ? A CYS 237 A CYS 248 1_555 ? ? ? ? ? ? ? 2.024 ? disulf6 disulf ? ? A CYS 456 SG ? ? ? 1_555 A CYS 513 SG ? ? A CYS 456 A CYS 513 1_555 ? ? ? ? ? ? ? 1.994 ? disulf7 disulf ? ? A CYS 554 SG ? ? ? 1_555 A CYS 579 SG ? ? A CYS 554 A CYS 579 1_555 ? ? ? ? ? ? ? 2.051 ? covale1 covale one ? A ASN 95 ND2 ? ? ? 1_555 B NAG . C1 ? ? A ASN 95 A NAG 601 1_555 ? ? ? ? ? ? ? 1.428 ? covale2 covale none ? A ASP 108 OD2 ? ? ? 1_555 V HEM . CMD ? ? A ASP 108 A HEM 621 1_555 ? ? ? ? ? ? ? 1.378 ? metalc1 metalc ? ? A ASP 110 O ? ? ? 1_555 L CA . CA ? ? A ASP 110 A CA 611 1_555 ? ? ? ? ? ? ? 2.330 ? metalc2 metalc ? ? A ASP 110 OD1 ? ? ? 1_555 L CA . CA ? ? A ASP 110 A CA 611 1_555 ? ? ? ? ? ? ? 2.315 ? metalc3 metalc ? ? A THR 184 O ? ? ? 1_555 L CA . CA ? ? A THR 184 A CA 611 1_555 ? ? ? ? ? ? ? 2.339 ? metalc4 metalc ? ? A THR 184 OG1 ? ? ? 1_555 L CA . CA ? ? A THR 184 A CA 611 1_555 ? ? ? ? ? ? ? 2.309 ? metalc5 metalc ? ? A PHE 186 O ? ? ? 1_555 L CA . CA ? ? A PHE 186 A CA 611 1_555 ? ? ? ? ? ? ? 2.964 ? metalc6 metalc ? ? A ASP 188 OD1 ? ? ? 1_555 L CA . CA ? ? A ASP 188 A CA 611 1_555 ? ? ? ? ? ? ? 2.721 ? metalc7 metalc ? ? A SER 190 OG ? ? ? 1_555 L CA . CA ? ? A SER 190 A CA 611 1_555 ? ? ? ? ? ? ? 2.308 ? covale3 covale both ? A PRO 197 C ? ? ? 1_555 A SEP 198 N ? ? A PRO 197 A SEP 198 1_555 ? ? ? ? ? ? ? 1.312 ? covale4 covale both ? A SEP 198 C ? ? ? 1_555 A LEU 199 N ? ? A SEP 198 A LEU 199 1_555 ? ? ? ? ? ? ? 1.328 ? covale5 covale one ? A ASN 205 ND2 ? ? ? 1_555 E NAG . C1 ? ? A ASN 205 A NAG 604 1_555 ? ? ? ? ? ? ? 1.438 ? covale6 covale one ? A ASN 241 ND2 ? ? ? 1_555 G NAG . C1 ? ? A ASN 241 A NAG 606 1_555 ? ? ? ? ? ? ? 1.427 ? covale7 covale none ? A GLU 258 OE2 ? ? ? 1_555 V HEM . CMB ? ? A GLU 258 A HEM 621 1_555 ? ? ? ? ? ? ? 1.355 ? covale8 covale one ? A ASN 332 ND2 ? ? ? 1_555 J NAG . C1 ? ? A ASN 332 A NAG 609 1_555 ? ? ? ? ? ? ? 1.450 ? metalc8 metalc ? ? A HIS 351 NE2 ? ? ? 1_555 V HEM . FE ? ? A HIS 351 A HEM 621 1_555 ? ? ? ? ? ? ? 1.911 ? covale9 covale both ? B NAG . O4 ? ? ? 1_555 C NAG . C1 ? ? A NAG 601 A NAG 602 1_555 ? ? ? ? ? ? ? 1.445 ? covale10 covale both ? C NAG . O4 ? ? ? 1_555 D BMA . C1 ? ? A NAG 602 A BMA 603 1_555 ? ? ? ? ? ? ? 1.455 ? covale11 covale both ? E NAG . O4 ? ? ? 1_555 F NAG . C1 ? ? A NAG 604 A NAG 605 1_555 ? ? ? ? ? ? ? 1.447 ? covale12 covale both ? G NAG . O4 ? ? ? 1_555 H NAG . C1 ? ? A NAG 606 A NAG 607 1_555 ? ? ? ? ? ? ? 1.435 ? covale13 covale both ? H NAG . O4 ? ? ? 1_555 I MAN . C1 ? ? A NAG 607 A MAN 608 1_555 ? ? ? ? ? ? ? 1.439 ? covale14 covale both ? J NAG . O4 ? ? ? 1_555 K NAG . C1 ? ? A NAG 609 A NAG 610 1_555 ? ? ? ? ? ? ? 1.447 ? metalc9 metalc ? ? V HEM . FE ? ? ? 1_555 BA HOH . O ? ? A HEM 621 A HOH 869 1_555 ? ? ? ? ? ? ? 2.550 ? # 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 10.32 2 TYR 572 A . ? TYR 572 A PRO 573 A ? PRO 573 A 1 -4.71 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details AA1 ? 2 ? AA2 ? 2 ? AA3 ? 2 ? AA4 ? 2 ? AA5 ? 2 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense AA1 1 2 ? anti-parallel AA2 1 2 ? anti-parallel AA3 1 2 ? anti-parallel AA4 1 2 ? anti-parallel AA5 1 2 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id AA1 1 ARG A 41 ? ALA A 42 ? ARG A 41 ALA A 42 AA1 2 ILE A 180 ? ASN A 181 ? ILE A 180 ASN A 181 AA2 1 ILE A 142 ? MET A 143 ? ILE A 142 MET A 143 AA2 2 CYS A 157 ? MET A 158 ? CYS A 157 MET A 158 AA3 1 THR A 357 ? SER A 359 ? THR A 357 SER A 359 AA3 2 GLU A 373 ? PRO A 375 ? GLU A 373 PRO A 375 AA4 1 LEU A 421 ? PHE A 422 ? LEU A 421 PHE A 422 AA4 2 HIS A 429 ? PHE A 431 ? HIS A 429 PHE A 431 AA5 1 LYS A 561 ? VAL A 562 ? LYS A 561 VAL A 562 AA5 2 VAL A 577 ? ASP A 578 ? VAL A 577 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 AA1 1 2 N ARG A 41 ? N ARG A 41 O ASN A 181 ? O ASN A 181 AA2 1 2 N ILE A 142 ? N ILE A 142 O MET A 158 ? O MET A 158 AA3 1 2 N VAL A 358 ? N VAL A 358 O LEU A 374 ? O LEU A 374 AA4 1 2 N LEU A 421 ? N LEU A 421 O PHE A 431 ? O PHE A 431 AA5 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 A CA 611 ? 5 'binding site for residue CA A 611' AC2 Software A IOD 612 ? 1 'binding site for residue IOD A 612' AC3 Software A IOD 613 ? 2 'binding site for residue IOD A 613' AC4 Software A IOD 614 ? 2 'binding site for residue IOD A 614' AC5 Software A IOD 615 ? 2 'binding site for residue IOD A 615' AC6 Software A IOD 616 ? 2 'binding site for residue IOD A 616' AC7 Software A NO3 617 ? 5 'binding site for residue NO3 A 617' AC8 Software A NO3 618 ? 4 'binding site for residue NO3 A 618' AC9 Software A NO3 619 ? 3 'binding site for residue NO3 A 619' AD1 Software A NO3 620 ? 3 'binding site for residue NO3 A 620' AD2 Software A HEM 621 ? 25 'binding site for residue HEM A 621' AD3 Software A SCN 622 ? 4 'binding site for residue SCN A 622' AD4 Software A SCN 623 ? 2 'binding site for residue SCN A 623' AD5 Software A SCN 624 ? 4 'binding site for residue SCN A 624' AD6 Software A SCN 625 ? 2 'binding site for residue SCN A 625' AD7 Software A IOD 626 ? 1 'binding site for residue IOD A 626' AD8 Software A ASN 95 ? 8 'binding site for Poly-Saccharide residues NAG A 601 through BMA A 603 bound to ASN A 95' AD9 Software A ASN 205 ? 6 'binding site for Poly-Saccharide residues NAG A 604 through NAG A 605 bound to ASN A 205' AE1 Software A ASN 241 ? 5 'binding site for Poly-Saccharide residues NAG A 606 through MAN A 608 bound to ASN A 241' AE2 Software A ASN 332 ? 1 'binding site for Poly-Saccharide residues NAG A 609 through NAG A 610 bound to ASN A 332' # 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 ASP A 110 ? ASP A 110 . ? 1_555 ? 2 AC1 5 THR A 184 ? THR A 184 . ? 1_555 ? 3 AC1 5 PHE A 186 ? PHE A 186 . ? 1_555 ? 4 AC1 5 ASP A 188 ? ASP A 188 . ? 1_555 ? 5 AC1 5 SER A 190 ? SER A 190 . ? 1_555 ? 6 AC2 1 PHE A 229 ? PHE A 229 . ? 1_555 ? 7 AC3 2 PRO A 236 ? PRO A 236 . ? 1_555 ? 8 AC3 2 PRO A 424 ? PRO A 424 . ? 1_555 ? 9 AC4 2 ARG A 397 ? ARG A 397 . ? 1_555 ? 10 AC4 2 LYS A 561 ? LYS A 561 . ? 1_555 ? 11 AC5 2 TRP A 46 ? TRP A 46 . ? 1_555 ? 12 AC5 2 VAL A 342 ? VAL A 342 . ? 1_555 ? 13 AC6 2 LYS A 462 ? LYS A 462 . ? 1_555 ? 14 AC6 2 THR A 463 ? THR A 463 . ? 1_555 ? 15 AC7 5 TYR A 85 ? TYR A 85 . ? 1_555 ? 16 AC7 5 LEU A 86 ? LEU A 86 . ? 1_555 ? 17 AC7 5 ASP A 87 ? ASP A 87 . ? 1_555 ? 18 AC7 5 LYS A 411 ? LYS A 411 . ? 1_555 ? 19 AC7 5 HOH BA . ? HOH A 840 . ? 1_555 ? 20 AC8 4 ARG A 31 ? ARG A 31 . ? 1_555 ? 21 AC8 4 TYR A 331 ? TYR A 331 . ? 1_555 ? 22 AC8 4 ARG A 527 ? ARG A 527 . ? 1_555 ? 23 AC8 4 HOH BA . ? HOH A 715 . ? 1_555 ? 24 AC9 3 GLU A 77 ? GLU A 77 . ? 1_555 ? 25 AC9 3 ASN A 80 ? ASN A 80 . ? 1_555 ? 26 AC9 3 PRO A 145 ? PRO A 145 . ? 1_555 ? 27 AD1 3 HIS A 377 ? HIS A 377 . ? 1_555 ? 28 AD1 3 HIS A 429 ? HIS A 429 . ? 1_555 ? 29 AD1 3 HOH BA . ? HOH A 731 . ? 1_555 ? 30 AD2 25 MET A 101 ? MET A 101 . ? 1_555 ? 31 AD2 25 GLY A 104 ? GLY A 104 . ? 1_555 ? 32 AD2 25 GLN A 105 ? GLN A 105 . ? 1_555 ? 33 AD2 25 ASP A 108 ? ASP A 108 . ? 1_555 ? 34 AD2 25 ASP A 112 ? ASP A 112 . ? 1_555 ? 35 AD2 25 PHE A 113 ? PHE A 113 . ? 1_555 ? 36 AD2 25 ALA A 114 ? ALA A 114 . ? 1_555 ? 37 AD2 25 ARG A 255 ? ARG A 255 . ? 1_555 ? 38 AD2 25 GLU A 258 ? GLU A 258 . ? 1_555 ? 39 AD2 25 GLN A 259 ? GLN A 259 . ? 1_555 ? 40 AD2 25 THR A 344 ? THR A 344 . ? 1_555 ? 41 AD2 25 PHE A 347 ? PHE A 347 . ? 1_555 ? 42 AD2 25 ARG A 348 ? ARG A 348 . ? 1_555 ? 43 AD2 25 GLY A 350 ? GLY A 350 . ? 1_555 ? 44 AD2 25 HIS A 351 ? HIS A 351 . ? 1_555 ? 45 AD2 25 VAL A 354 ? VAL A 354 . ? 1_555 ? 46 AD2 25 PHE A 380 ? PHE A 380 . ? 1_555 ? 47 AD2 25 LEU A 417 ? LEU A 417 . ? 1_555 ? 48 AD2 25 GLN A 423 ? GLN A 423 . ? 1_555 ? 49 AD2 25 LEU A 433 ? LEU A 433 . ? 1_555 ? 50 AD2 25 ILE A 436 ? ILE A 436 . ? 1_555 ? 51 AD2 25 ARG A 440 ? ARG A 440 . ? 1_555 ? 52 AD2 25 SCN Y . ? SCN A 624 . ? 1_555 ? 53 AD2 25 HOH BA . ? HOH A 760 . ? 1_555 ? 54 AD2 25 HOH BA . ? HOH A 869 . ? 1_555 ? 55 AD3 4 SER A 359 ? SER A 359 . ? 1_555 ? 56 AD3 4 LEU A 361 ? LEU A 361 . ? 1_555 ? 57 AD3 4 PRO A 367 ? PRO A 367 . ? 1_555 ? 58 AD3 4 LYS A 402 ? LYS A 402 . ? 1_555 ? 59 AD4 2 PRO A 149 ? PRO A 149 . ? 1_555 ? 60 AD4 2 ASN A 419 ? ASN A 419 . ? 1_555 ? 61 AD5 4 ARG A 255 ? ARG A 255 . ? 1_555 ? 62 AD5 4 HEM V . ? HEM A 621 . ? 1_555 ? 63 AD5 4 HOH BA . ? HOH A 868 . ? 1_555 ? 64 AD5 4 HOH BA . ? HOH A 869 . ? 1_555 ? 65 AD6 2 SEP A 198 ? SEP A 198 . ? 1_555 ? 66 AD6 2 ARG A 202 ? ARG A 202 . ? 1_555 ? 67 AD7 1 TRP A 530 ? TRP A 530 . ? 1_555 ? 68 AD8 8 ASN A 95 ? ASN A 95 . ? 1_555 ? 69 AD8 8 ARG A 96 ? ARG A 96 . ? 1_555 ? 70 AD8 8 ARG A 504 ? ARG A 504 . ? 1_555 ? 71 AD8 8 HIS A 565 ? HIS A 565 . ? 1_555 ? 72 AD8 8 GLN A 568 ? GLN A 568 . ? 1_555 ? 73 AD8 8 HOH BA . ? HOH A 810 . ? 1_555 ? 74 AD8 8 HOH BA . ? HOH A 820 . ? 1_555 ? 75 AD8 8 HOH BA . ? HOH A 831 . ? 1_555 ? 76 AD9 6 ASN A 205 ? ASN A 205 . ? 1_555 ? 77 AD9 6 SER A 208 ? SER A 208 . ? 1_555 ? 78 AD9 6 VAL A 215 ? VAL A 215 . ? 1_555 ? 79 AD9 6 GLN A 217 ? GLN A 217 . ? 1_555 ? 80 AD9 6 TRP A 220 ? TRP A 220 . ? 1_555 ? 81 AD9 6 HOH BA . ? HOH A 833 . ? 1_555 ? 82 AE1 5 ASN A 241 ? ASN A 241 . ? 1_555 ? 83 AE1 5 ALA A 244 ? ALA A 244 . ? 1_555 ? 84 AE1 5 TRP A 384 ? TRP A 384 . ? 1_555 ? 85 AE1 5 HOH BA . ? HOH A 706 . ? 1_555 ? 86 AE1 5 HOH BA . ? HOH A 759 . ? 1_555 ? 87 AE2 1 ASN A 332 ? ASN A 332 . ? 1_555 ? # _atom_sites.entry_id 4Y55 _atom_sites.fract_transf_matrix[1][1] 0.018514 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.004152 _atom_sites.fract_transf_matrix[2][1] -0.000000 _atom_sites.fract_transf_matrix[2][2] 0.012493 _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] 0.013344 _atom_sites.fract_transf_vector[1] 0.000000 _atom_sites.fract_transf_vector[2] 0.000000 _atom_sites.fract_transf_vector[3] 0.000000 # loop_ _atom_type.symbol C CA FE I N O P S # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . SER A 1 1 ? 7.551 -33.610 36.956 1.00 130.89 ? 1 SER A N 1 ATOM 2 C CA . SER A 1 1 ? 6.486 -32.703 37.366 1.00 139.12 ? 1 SER A CA 1 ATOM 3 C C . SER A 1 1 ? 6.080 -31.776 36.225 1.00 151.29 ? 1 SER A C 1 ATOM 4 O O . SER A 1 1 ? 6.761 -31.700 35.202 1.00 147.68 ? 1 SER A O 1 ATOM 5 C CB . SER A 1 1 ? 6.920 -31.881 38.581 1.00 129.44 ? 1 SER A CB 1 ATOM 6 O OG . SER A 1 1 ? 5.852 -31.087 39.069 1.00 117.11 ? 1 SER A OG 1 ATOM 7 N N . TRP A 1 2 ? 4.967 -31.073 36.407 1.00 160.27 ? 2 TRP A N 1 ATOM 8 C CA . TRP A 1 2 ? 4.469 -30.151 35.394 1.00 166.11 ? 2 TRP A CA 1 ATOM 9 C C . TRP A 1 2 ? 3.035 -29.712 35.672 1.00 166.11 ? 2 TRP A C 1 ATOM 10 O O . TRP A 1 2 ? 2.303 -30.378 36.403 1.00 169.41 ? 2 TRP A O 1 ATOM 11 C CB . TRP A 1 2 ? 4.477 -30.814 34.015 1.00 169.91 ? 2 TRP A CB 1 ATOM 12 C CG . TRP A 1 2 ? 3.344 -31.771 33.804 1.00 165.99 ? 2 TRP A CG 1 ATOM 13 C CD1 . TRP A 1 2 ? 3.422 -33.131 33.735 1.00 161.14 ? 2 TRP A CD1 1 ATOM 14 C CD2 . TRP A 1 2 ? 1.960 -31.440 33.633 1.00 161.14 ? 2 TRP A CD2 1 ATOM 15 N NE1 . TRP A 1 2 ? 2.173 -33.668 33.532 1.00 159.73 ? 2 TRP A NE1 1 ATOM 16 C CE2 . TRP A 1 2 ? 1.259 -32.650 33.466 1.00 158.76 ? 2 TRP A CE2 1 ATOM 17 C CE3 . TRP A 1 2 ? 1.247 -30.237 33.606 1.00 150.31 ? 2 TRP A CE3 1 ATOM 18 C CZ2 . TRP A 1 2 ? -0.121 -32.693 33.274 1.00 150.14 ? 2 TRP A CZ2 1 ATOM 19 C CZ3 . TRP A 1 2 ? -0.122 -30.282 33.415 1.00 142.77 ? 2 TRP A CZ3 1 ATOM 20 C CH2 . TRP A 1 2 ? -0.792 -31.501 33.252 1.00 141.85 ? 2 TRP A CH2 1 ATOM 21 N N . GLU A 1 3 ? 2.641 -28.588 35.082 1.00 157.03 ? 3 GLU A N 1 ATOM 22 C CA . GLU A 1 3 ? 1.296 -28.059 35.264 1.00 143.02 ? 3 GLU A CA 1 ATOM 23 C C . GLU A 1 3 ? 0.753 -27.417 33.956 1.00 142.64 ? 3 GLU A C 1 ATOM 24 O O . GLU A 1 3 ? 1.258 -26.370 33.549 1.00 131.46 ? 3 GLU A O 1 ATOM 25 C CB . GLU A 1 3 ? 1.332 -27.023 36.388 1.00 132.74 ? 3 GLU A CB 1 ATOM 26 C CG . GLU A 1 3 ? 0.029 -26.263 36.575 1.00 129.45 ? 3 GLU A CG 1 ATOM 27 C CD . GLU A 1 3 ? -0.874 -26.901 37.612 1.00 131.00 ? 3 GLU A CD 1 ATOM 28 O OE1 . GLU A 1 3 ? -0.684 -28.099 37.910 1.00 132.65 ? 3 GLU A OE1 1 ATOM 29 O OE2 . GLU A 1 3 ? -1.773 -26.205 38.129 1.00 125.51 ? 3 GLU A OE2 1 ATOM 30 N N . VAL A 1 4 ? -0.249 -28.018 33.293 1.00 142.36 ? 4 VAL A N 1 ATOM 31 C CA . VAL A 1 4 ? -0.728 -27.457 32.022 1.00 137.98 ? 4 VAL A CA 1 ATOM 32 C C . VAL A 1 4 ? -1.973 -26.614 32.254 1.00 131.17 ? 4 VAL A C 1 ATOM 33 O O . VAL A 1 4 ? -2.203 -25.623 31.554 1.00 120.84 ? 4 VAL A O 1 ATOM 34 C CB . VAL A 1 4 ? -1.069 -28.564 30.987 1.00 140.26 ? 4 VAL A CB 1 ATOM 35 C CG1 . VAL A 1 4 ? -1.620 -27.964 29.696 1.00 143.38 ? 4 VAL A CG1 1 ATOM 36 C CG2 . VAL A 1 4 ? 0.152 -29.418 30.683 1.00 138.03 ? 4 VAL A CG2 1 ATOM 37 N N . GLY A 1 5 ? -2.768 -27.022 33.239 1.00 126.67 ? 5 GLY A N 1 ATOM 38 C CA . GLY A 1 5 ? -4.031 -26.381 33.527 1.00 118.22 ? 5 GLY A CA 1 ATOM 39 C C . GLY A 1 5 ? -3.999 -24.874 33.399 1.00 111.59 ? 5 GLY A C 1 ATOM 40 O O . GLY A 1 5 ? -4.510 -24.344 32.413 1.00 113.68 ? 5 GLY A O 1 ATOM 41 N N . CYS A 1 6 ? -3.356 -24.185 34.346 1.00 103.05 ? 6 CYS A N 1 ATOM 42 C CA . CYS A 1 6 ? -3.726 -22.784 34.629 1.00 99.64 ? 6 CYS A CA 1 ATOM 43 C C . CYS A 1 6 ? -3.890 -21.880 33.398 1.00 100.99 ? 6 CYS A C 1 ATOM 44 O O . CYS A 1 6 ? -2.935 -21.582 32.672 1.00 85.35 ? 6 CYS A O 1 ATOM 45 C CB . CYS A 1 6 ? -2.849 -22.102 35.696 1.00 97.79 ? 6 CYS A CB 1 ATOM 46 S SG . CYS A 1 6 ? -3.860 -20.948 36.685 1.00 93.16 ? 6 CYS A SG 1 ATOM 47 N N . GLY A 1 7 ? -5.154 -21.506 33.183 1.00 108.87 ? 7 GLY A N 1 ATOM 48 C CA . GLY A 1 7 ? -5.579 -20.470 32.242 1.00 112.57 ? 7 GLY A CA 1 ATOM 49 C C . GLY A 1 7 ? -6.992 -20.006 32.605 1.00 116.18 ? 7 GLY A C 1 ATOM 50 O O . GLY A 1 7 ? -7.883 -19.991 31.750 1.00 111.04 ? 7 GLY A O 1 ATOM 51 N N . ALA A 1 8 ? -7.186 -19.622 33.874 1.00 119.40 ? 8 ALA A N 1 ATOM 52 C CA . ALA A 1 8 ? -8.533 -19.432 34.449 1.00 122.90 ? 8 ALA A CA 1 ATOM 53 C C . ALA A 1 8 ? -9.207 -18.101 34.085 1.00 127.43 ? 8 ALA A C 1 ATOM 54 O O . ALA A 1 8 ? -10.360 -18.116 33.649 1.00 137.02 ? 8 ALA A O 1 ATOM 55 C CB . ALA A 1 8 ? -8.521 -19.639 35.965 1.00 118.26 ? 8 ALA A CB 1 ATOM 56 N N . PRO A 1 9 ? -8.516 -16.952 34.278 1.00 121.85 ? 9 PRO A N 1 ATOM 57 C CA . PRO A 1 9 ? -9.082 -15.697 33.761 1.00 116.53 ? 9 PRO A CA 1 ATOM 58 C C . PRO A 1 9 ? -9.051 -15.585 32.227 1.00 120.65 ? 9 PRO A C 1 ATOM 59 O O . PRO A 1 9 ? -8.318 -14.755 31.695 1.00 120.06 ? 9 PRO A O 1 ATOM 60 C CB . PRO A 1 9 ? -8.192 -14.622 34.408 1.00 107.83 ? 9 PRO A CB 1 ATOM 61 C CG . PRO A 1 9 ? -7.685 -15.268 35.640 1.00 109.65 ? 9 PRO A CG 1 ATOM 62 C CD . PRO A 1 9 ? -7.420 -16.682 35.225 1.00 116.98 ? 9 PRO A CD 1 ATOM 63 N N . VAL A 1 10 ? -9.834 -16.418 31.530 1.00 121.70 ? 10 VAL A N 1 ATOM 64 C CA . VAL A 1 10 ? -9.995 -16.324 30.064 1.00 120.41 ? 10 VAL A CA 1 ATOM 65 C C . VAL A 1 10 ? -11.417 -16.731 29.613 1.00 121.54 ? 10 VAL A C 1 ATOM 66 O O . VAL A 1 10 ? -11.861 -17.857 29.884 1.00 116.48 ? 10 VAL A O 1 ATOM 67 C CB . VAL A 1 10 ? -8.939 -17.159 29.275 1.00 117.38 ? 10 VAL A CB 1 ATOM 68 C CG1 . VAL A 1 10 ? -7.521 -16.839 29.740 1.00 112.92 ? 10 VAL A CG1 1 ATOM 69 C CG2 . VAL A 1 10 ? -9.216 -18.662 29.352 1.00 119.07 ? 10 VAL A CG2 1 ATOM 70 N N . PRO A 1 11 ? -12.152 -15.800 28.961 1.00 120.23 ? 11 PRO A N 1 ATOM 71 C CA . PRO A 1 11 ? -13.345 -16.192 28.197 1.00 118.33 ? 11 PRO A CA 1 ATOM 72 C C . PRO A 1 11 ? -12.969 -16.896 26.876 1.00 112.46 ? 11 PRO A C 1 ATOM 73 O O . PRO A 1 11 ? -12.490 -16.255 25.936 1.00 106.02 ? 11 PRO A O 1 ATOM 74 C CB . PRO A 1 11 ? -14.073 -14.855 27.948 1.00 117.79 ? 11 PRO A CB 1 ATOM 75 C CG . PRO A 1 11 ? -13.512 -13.909 28.954 1.00 117.70 ? 11 PRO A CG 1 ATOM 76 C CD . PRO A 1 11 ? -12.090 -14.339 29.150 1.00 116.25 ? 11 PRO A CD 1 ATOM 77 N N . LEU A 1 12 ? -13.180 -18.210 26.830 1.00 107.49 ? 12 LEU A N 1 ATOM 78 C CA . LEU A 1 12 ? -12.792 -19.040 25.690 1.00 108.33 ? 12 LEU A CA 1 ATOM 79 C C . LEU A 1 12 ? -13.920 -19.091 24.651 1.00 117.47 ? 12 LEU A C 1 ATOM 80 O O . LEU A 1 12 ? -14.877 -19.862 24.814 1.00 114.76 ? 12 LEU A O 1 ATOM 81 C CB . LEU A 1 12 ? -12.455 -20.449 26.193 1.00 106.42 ? 12 LEU A CB 1 ATOM 82 C CG . LEU A 1 12 ? -11.932 -21.506 25.209 1.00 107.25 ? 12 LEU A CG 1 ATOM 83 C CD1 . LEU A 1 12 ? -11.086 -22.532 25.964 1.00 103.00 ? 12 LEU A CD1 1 ATOM 84 C CD2 . LEU A 1 12 ? -13.048 -22.191 24.416 1.00 102.49 ? 12 LEU A CD2 1 ATOM 85 N N . VAL A 1 13 ? -13.798 -18.286 23.585 1.00 120.14 ? 13 VAL A N 1 ATOM 86 C CA . VAL A 1 13 ? -14.875 -18.128 22.568 1.00 112.64 ? 13 VAL A CA 1 ATOM 87 C C . VAL A 1 13 ? -14.696 -18.999 21.315 1.00 98.56 ? 13 VAL A C 1 ATOM 88 O O . VAL A 1 13 ? -13.702 -19.712 21.162 1.00 84.80 ? 13 VAL A O 1 ATOM 89 C CB . VAL A 1 13 ? -15.099 -16.642 22.139 1.00 113.19 ? 13 VAL A CB 1 ATOM 90 C CG1 . VAL A 1 13 ? -15.672 -15.826 23.297 1.00 111.05 ? 13 VAL A CG1 1 ATOM 91 C CG2 . VAL A 1 13 ? -13.823 -16.010 21.584 1.00 110.25 ? 13 VAL A CG2 1 ATOM 92 N N . LYS A 1 14 ? -15.691 -18.941 20.434 1.00 95.13 ? 14 LYS A N 1 ATOM 93 C CA . LYS A 1 14 ? -15.683 -19.740 19.223 1.00 96.88 ? 14 LYS A CA 1 ATOM 94 C C . LYS A 1 14 ? -14.624 -19.220 18.303 1.00 86.28 ? 14 LYS A C 1 ATOM 95 O O . LYS A 1 14 ? -14.268 -18.050 18.351 1.00 91.81 ? 14 LYS A O 1 ATOM 96 C CB . LYS A 1 14 ? -17.036 -19.697 18.506 1.00 100.24 ? 14 LYS A CB 1 ATOM 97 C CG . LYS A 1 14 ? -18.166 -20.314 19.313 1.00 103.23 ? 14 LYS A CG 1 ATOM 98 C CD . LYS A 1 14 ? -19.506 -20.240 18.601 1.00 100.23 ? 14 LYS A CD 1 ATOM 99 C CE . LYS A 1 14 ? -20.616 -20.674 19.541 1.00 100.71 ? 14 LYS A CE 1 ATOM 100 N NZ . LYS A 1 14 ? -21.949 -20.655 18.886 1.00 99.90 ? 14 LYS A NZ 1 ATOM 101 N N . CYS A 1 15 ? -14.102 -20.114 17.483 1.00 80.34 ? 15 CYS A N 1 ATOM 102 C CA . CYS A 1 15 ? -13.200 -19.730 16.433 1.00 78.62 ? 15 CYS A CA 1 ATOM 103 C C . CYS A 1 15 ? -13.941 -19.993 15.132 1.00 87.57 ? 15 CYS A C 1 ATOM 104 O O . CYS A 1 15 ? -14.136 -21.145 14.722 1.00 82.16 ? 15 CYS A O 1 ATOM 105 C CB . CYS A 1 15 ? -11.874 -20.496 16.550 1.00 70.39 ? 15 CYS A CB 1 ATOM 106 S SG . CYS A 1 15 ? -10.801 -19.883 17.896 1.00 57.34 ? 15 CYS A SG 1 ATOM 107 N N . ASP A 1 16 ? -14.345 -18.915 14.466 1.00 91.95 ? 16 ASP A N 1 ATOM 108 C CA . ASP A 1 16 ? -14.973 -19.017 13.155 1.00 93.95 ? 16 ASP A CA 1 ATOM 109 C C . ASP A 1 16 ? -13.913 -19.385 12.123 1.00 96.11 ? 16 ASP A C 1 ATOM 110 O O . ASP A 1 16 ? -13.375 -18.520 11.432 1.00 105.87 ? 16 ASP A O 1 ATOM 111 C CB . ASP A 1 16 ? -15.646 -17.698 12.776 1.00 100.48 ? 16 ASP A CB 1 ATOM 112 C CG . ASP A 1 16 ? -16.259 -17.734 11.389 1.00 101.30 ? 16 ASP A CG 1 ATOM 113 O OD1 . ASP A 1 16 ? -17.293 -18.412 11.212 1.00 105.32 ? 16 ASP A OD1 1 ATOM 114 O OD2 . ASP A 1 16 ? -15.706 -17.085 10.477 1.00 98.71 ? 16 ASP A OD2 1 ATOM 115 N N . GLU A 1 17 ? -13.610 -20.678 12.053 1.00 102.23 ? 17 GLU A N 1 ATOM 116 C CA . GLU A 1 17 ? -12.586 -21.189 11.154 1.00 100.72 ? 17 GLU A CA 1 ATOM 117 C C . GLU A 1 17 ? -12.745 -20.614 9.756 1.00 96.21 ? 17 GLU A C 1 ATOM 118 O O . GLU A 1 17 ? -13.859 -20.349 9.304 1.00 97.70 ? 17 GLU A O 1 ATOM 119 C CB . GLU A 1 17 ? -12.635 -22.718 11.101 1.00 101.67 ? 17 GLU A CB 1 ATOM 120 C CG . GLU A 1 17 ? -12.382 -23.393 12.439 1.00 100.14 ? 17 GLU A CG 1 ATOM 121 C CD . GLU A 1 17 ? -10.938 -23.279 12.886 1.00 96.89 ? 17 GLU A CD 1 ATOM 122 O OE1 . GLU A 1 17 ? -10.607 -23.797 13.973 1.00 89.11 ? 17 GLU A OE1 1 ATOM 123 O OE2 . GLU A 1 17 ? -10.133 -22.670 12.149 1.00 93.16 ? 17 GLU A OE2 1 ATOM 124 N N . ASN A 1 18 ? -11.622 -20.423 9.075 1.00 90.17 ? 18 ASN A N 1 ATOM 125 C CA . ASN A 1 18 ? -11.635 -19.879 7.726 1.00 94.54 ? 18 ASN A CA 1 ATOM 126 C C . ASN A 1 18 ? -11.875 -18.374 7.717 1.00 87.37 ? 18 ASN A C 1 ATOM 127 O O . ASN A 1 18 ? -11.652 -17.714 6.702 1.00 82.33 ? 18 ASN A O 1 ATOM 128 C CB . ASN A 1 18 ? -12.692 -20.585 6.875 1.00 103.76 ? 18 ASN A CB 1 ATOM 129 C CG . ASN A 1 18 ? -12.916 -19.902 5.540 1.00 102.62 ? 18 ASN A CG 1 ATOM 130 O OD1 . ASN A 1 18 ? -13.786 -19.041 5.408 1.00 99.14 ? 18 ASN A OD1 1 ATOM 131 N ND2 . ASN A 1 18 ? -12.130 -20.284 4.540 1.00 102.43 ? 18 ASN A ND2 1 ATOM 132 N N . SER A 1 19 ? -12.329 -17.830 8.843 1.00 85.64 ? 19 SER A N 1 ATOM 133 C CA . SER A 1 19 ? -12.582 -16.403 8.912 1.00 74.10 ? 19 SER A CA 1 ATOM 134 C C . SER A 1 19 ? -11.345 -15.847 8.198 1.00 73.41 ? 19 SER A C 1 ATOM 135 O O . SER A 1 19 ? -10.253 -16.441 8.241 1.00 72.43 ? 19 SER A O 1 ATOM 136 C CB . SER A 1 19 ? -12.579 -15.932 10.358 1.00 69.96 ? 19 SER A CB 1 ATOM 137 O OG . SER A 1 19 ? -12.757 -14.533 10.410 1.00 66.63 ? 19 SER A OG 1 ATOM 138 N N . PRO A 1 20 ? -11.508 -14.727 7.499 1.00 70.15 ? 20 PRO A N 1 ATOM 139 C CA . PRO A 1 20 ? -10.361 -14.148 6.826 1.00 72.66 ? 20 PRO A CA 1 ATOM 140 C C . PRO A 1 20 ? -9.777 -12.972 7.609 1.00 69.68 ? 20 PRO A C 1 ATOM 141 O O . PRO A 1 20 ? -8.862 -12.307 7.127 1.00 78.88 ? 20 PRO A O 1 ATOM 142 C CB . PRO A 1 20 ? -10.961 -13.665 5.512 1.00 73.11 ? 20 PRO A CB 1 ATOM 143 C CG . PRO A 1 20 ? -12.425 -13.468 5.803 1.00 73.48 ? 20 PRO A CG 1 ATOM 144 C CD . PRO A 1 20 ? -12.739 -14.001 7.164 1.00 67.73 ? 20 PRO A CD 1 ATOM 145 N N . TYR A 1 21 ? -10.322 -12.707 8.795 1.00 63.81 ? 21 TYR A N 1 ATOM 146 C CA . TYR A 1 21 ? -9.839 -11.613 9.631 1.00 57.75 ? 21 TYR A CA 1 ATOM 147 C C . TYR A 1 21 ? -9.369 -12.132 10.993 1.00 54.20 ? 21 TYR A C 1 ATOM 148 O O . TYR A 1 21 ? -9.947 -13.080 11.584 1.00 47.00 ? 21 TYR A O 1 ATOM 149 C CB . TYR A 1 21 ? -10.901 -10.516 9.768 1.00 58.69 ? 21 TYR A CB 1 ATOM 150 C CG . TYR A 1 21 ? -11.472 -10.084 8.427 1.00 61.80 ? 21 TYR A CG 1 ATOM 151 C CD1 . TYR A 1 21 ? -10.621 -9.712 7.384 1.00 60.88 ? 21 TYR A CD1 1 ATOM 152 C CD2 . TYR A 1 21 ? -12.856 -10.085 8.182 1.00 62.51 ? 21 TYR A CD2 1 ATOM 153 C CE1 . TYR A 1 21 ? -11.111 -9.342 6.151 1.00 58.50 ? 21 TYR A CE1 1 ATOM 154 C CE2 . TYR A 1 21 ? -13.363 -9.716 6.936 1.00 61.35 ? 21 TYR A CE2 1 ATOM 155 C CZ . TYR A 1 21 ? -12.478 -9.335 5.928 1.00 62.83 ? 21 TYR A CZ 1 ATOM 156 O OH . TYR A 1 21 ? -12.922 -8.936 4.697 1.00 57.54 ? 21 TYR A OH 1 ATOM 157 N N . ARG A 1 22 ? -8.270 -11.540 11.457 1.00 46.50 ? 22 ARG A N 1 ATOM 158 C CA . ARG A 1 22 ? -7.823 -11.749 12.822 1.00 41.95 ? 22 ARG A CA 1 ATOM 159 C C . ARG A 1 22 ? -8.919 -11.357 13.785 1.00 38.72 ? 22 ARG A C 1 ATOM 160 O O . ARG A 1 22 ? -9.572 -10.376 13.571 1.00 37.16 ? 22 ARG A O 1 ATOM 161 C CB . ARG A 1 22 ? -6.667 -10.811 13.148 1.00 41.65 ? 22 ARG A CB 1 ATOM 162 C CG . ARG A 1 22 ? -5.493 -10.804 12.205 1.00 38.91 ? 22 ARG A CG 1 ATOM 163 C CD . ARG A 1 22 ? -4.370 -10.034 12.893 1.00 37.80 ? 22 ARG A CD 1 ATOM 164 N NE . ARG A 1 22 ? -3.139 -10.015 12.131 1.00 33.45 ? 22 ARG A NE 1 ATOM 165 C CZ . ARG A 1 22 ? -2.137 -10.872 12.255 1.00 36.09 ? 22 ARG A CZ 1 ATOM 166 N NH1 . ARG A 1 22 ? -2.143 -11.864 13.176 1.00 40.37 ? 22 ARG A NH1 1 ATOM 167 N NH2 . ARG A 1 22 ? -1.087 -10.726 11.485 1.00 36.78 ? 22 ARG A NH2 1 ATOM 168 N N . THR A 1 23 ? -9.051 -12.059 14.888 1.00 39.80 ? 23 THR A N 1 ATOM 169 C CA . THR A 1 23 ? -9.751 -11.487 16.035 1.00 44.39 ? 23 THR A CA 1 ATOM 170 C C . THR A 1 23 ? -8.984 -10.275 16.650 1.00 46.74 ? 23 THR A C 1 ATOM 171 O O . THR A 1 23 ? -7.804 -10.014 16.371 1.00 47.02 ? 23 THR A O 1 ATOM 172 C CB . THR A 1 23 ? -9.852 -12.502 17.165 1.00 45.43 ? 23 THR A CB 1 ATOM 173 O OG1 . THR A 1 23 ? -8.519 -12.879 17.514 1.00 51.40 ? 23 THR A OG1 1 ATOM 174 C CG2 . THR A 1 23 ? -10.657 -13.747 16.729 1.00 46.87 ? 23 THR A CG2 1 ATOM 175 N N . ILE A 1 24 ? -9.701 -9.548 17.480 1.00 43.21 ? 24 ILE A N 1 ATOM 176 C CA . ILE A 1 24 ? -9.160 -8.471 18.280 1.00 44.28 ? 24 ILE A CA 1 ATOM 177 C C . ILE A 1 24 ? -8.259 -9.023 19.363 1.00 45.08 ? 24 ILE A C 1 ATOM 178 O O . ILE A 1 24 ? -7.164 -8.530 19.512 1.00 47.28 ? 24 ILE A O 1 ATOM 179 C CB . ILE A 1 24 ? -10.302 -7.611 18.834 1.00 47.05 ? 24 ILE A CB 1 ATOM 180 C CG1 . ILE A 1 24 ? -10.962 -6.855 17.653 1.00 47.76 ? 24 ILE A CG1 1 ATOM 181 C CG2 . ILE A 1 24 ? -9.841 -6.603 19.874 1.00 50.17 ? 24 ILE A CG2 1 ATOM 182 C CD1 . ILE A 1 24 ? -10.130 -5.753 17.034 1.00 46.83 ? 24 ILE A CD1 1 ATOM 183 N N . THR A 1 25 ? -8.673 -10.086 20.060 1.00 40.07 ? 25 THR A N 1 ATOM 184 C CA . THR A 1 25 ? -7.854 -10.636 21.123 1.00 43.59 ? 25 THR A CA 1 ATOM 185 C C . THR A 1 25 ? -6.635 -11.451 20.671 1.00 37.72 ? 25 THR A C 1 ATOM 186 O O . THR A 1 25 ? -5.772 -11.759 21.481 1.00 40.45 ? 25 THR A O 1 ATOM 187 C CB . THR A 1 25 ? -8.674 -11.521 22.055 1.00 39.79 ? 25 THR A CB 1 ATOM 188 O OG1 . THR A 1 25 ? -9.190 -12.630 21.299 1.00 33.83 ? 25 THR A OG1 1 ATOM 189 C CG2 . THR A 1 25 ? -9.783 -10.688 22.729 1.00 41.37 ? 25 THR A CG2 1 ATOM 190 N N . GLY A 1 26 ? -6.575 -11.835 19.409 1.00 43.77 ? 26 GLY A N 1 ATOM 191 C CA . GLY A 1 26 ? -5.553 -12.763 18.950 1.00 37.78 ? 26 GLY A CA 1 ATOM 192 C C . GLY A 1 26 ? -5.863 -14.246 19.132 1.00 45.54 ? 26 GLY A C 1 ATOM 193 O O . GLY A 1 26 ? -5.107 -15.127 18.679 1.00 40.96 ? 26 GLY A O 1 ATOM 194 N N . ASP A 1 27 ? -6.983 -14.557 19.762 1.00 47.21 ? 27 ASP A N 1 ATOM 195 C CA . ASP A 1 27 ? -7.364 -15.940 19.820 1.00 47.31 ? 27 ASP A CA 1 ATOM 196 C C . ASP A 1 27 ? -7.626 -16.407 18.404 1.00 45.28 ? 27 ASP A C 1 ATOM 197 O O . ASP A 1 27 ? -7.915 -15.596 17.516 1.00 42.89 ? 27 ASP A O 1 ATOM 198 C CB . ASP A 1 27 ? -8.578 -16.112 20.694 1.00 48.64 ? 27 ASP A CB 1 ATOM 199 C CG . ASP A 1 27 ? -8.258 -15.874 22.138 1.00 46.53 ? 27 ASP A CG 1 ATOM 200 O OD1 . ASP A 1 27 ? -7.618 -16.759 22.781 1.00 43.47 ? 27 ASP A OD1 1 ATOM 201 O OD2 . ASP A 1 27 ? -8.641 -14.792 22.627 1.00 48.67 ? 27 ASP A OD2 1 ATOM 202 N N . CYS A 1 28 ? -7.461 -17.707 18.199 1.00 45.14 ? 28 CYS A N 1 ATOM 203 C CA . CYS A 1 28 ? -7.896 -18.409 16.972 1.00 46.38 ? 28 CYS A CA 1 ATOM 204 C C . CYS A 1 28 ? -6.913 -18.226 15.872 1.00 45.79 ? 28 CYS A C 1 ATOM 205 O O . CYS A 1 28 ? -7.222 -18.511 14.746 1.00 48.03 ? 28 CYS A O 1 ATOM 206 C CB . CYS A 1 28 ? -9.199 -17.863 16.359 1.00 44.45 ? 28 CYS A CB 1 ATOM 207 S SG . CYS A 1 28 ? -10.596 -17.908 17.504 1.00 47.86 ? 28 CYS A SG 1 ATOM 208 N N . ASN A 1 29 ? -5.735 -17.721 16.178 1.00 43.62 ? 29 ASN A N 1 ATOM 209 C CA . ASN A 1 29 ? -4.719 -17.595 15.140 1.00 45.13 ? 29 ASN A CA 1 ATOM 210 C C . ASN A 1 29 ? -4.249 -19.003 14.893 1.00 38.72 ? 29 ASN A C 1 ATOM 211 O O . ASN A 1 29 ? -4.217 -19.457 13.764 1.00 46.43 ? 29 ASN A O 1 ATOM 212 C CB . ASN A 1 29 ? -3.542 -16.743 15.623 1.00 38.81 ? 29 ASN A CB 1 ATOM 213 C CG . ASN A 1 29 ? -2.543 -16.430 14.517 1.00 36.76 ? 29 ASN A CG 1 ATOM 214 O OD1 . ASN A 1 29 ? -1.914 -17.307 13.953 1.00 35.77 ? 29 ASN A OD1 1 ATOM 215 N ND2 . ASN A 1 29 ? -2.423 -15.149 14.184 1.00 36.65 ? 29 ASN A ND2 1 ATOM 216 N N . ASN A 1 30 ? -3.842 -19.673 15.959 1.00 42.90 ? 30 ASN A N 1 ATOM 217 C CA . ASN A 1 30 ? -3.294 -20.999 15.868 1.00 40.66 ? 30 ASN A CA 1 ATOM 218 C C . ASN A 1 30 ? -4.419 -21.946 16.134 1.00 43.16 ? 30 ASN A C 1 ATOM 219 O O . ASN A 1 30 ? -5.148 -21.789 17.112 1.00 44.60 ? 30 ASN A O 1 ATOM 220 C CB . ASN A 1 30 ? -2.182 -21.221 16.877 1.00 46.38 ? 30 ASN A CB 1 ATOM 221 C CG . ASN A 1 30 ? -1.517 -22.594 16.725 1.00 49.09 ? 30 ASN A CG 1 ATOM 222 O OD1 . ASN A 1 30 ? -2.079 -23.625 17.142 1.00 58.76 ? 30 ASN A OD1 1 ATOM 223 N ND2 . ASN A 1 30 ? -0.303 -22.615 16.173 1.00 47.52 ? 30 ASN A ND2 1 ATOM 224 N N . ARG A 1 31 ? -4.550 -22.957 15.288 1.00 48.35 ? 31 ARG A N 1 ATOM 225 C CA . ARG A 1 31 ? -5.744 -23.816 15.323 1.00 51.23 ? 31 ARG A CA 1 ATOM 226 C C . ARG A 1 31 ? -5.670 -24.927 16.349 1.00 43.95 ? 31 ARG A C 1 ATOM 227 O O . ARG A 1 31 ? -6.678 -25.204 17.006 1.00 41.99 ? 31 ARG A O 1 ATOM 228 C CB . ARG A 1 31 ? -6.041 -24.355 13.929 1.00 52.53 ? 31 ARG A CB 1 ATOM 229 C CG . ARG A 1 31 ? -6.751 -23.293 13.100 1.00 56.36 ? 31 ARG A CG 1 ATOM 230 C CD . ARG A 1 31 ? -6.658 -23.561 11.613 1.00 59.84 ? 31 ARG A CD 1 ATOM 231 N NE . ARG A 1 31 ? -7.830 -23.062 10.873 1.00 60.83 ? 31 ARG A NE 1 ATOM 232 C CZ . ARG A 1 31 ? -7.832 -22.807 9.567 1.00 60.37 ? 31 ARG A CZ 1 ATOM 233 N NH1 . ARG A 1 31 ? -6.736 -22.992 8.832 1.00 57.08 ? 31 ARG A NH1 1 ATOM 234 N NH2 . ARG A 1 31 ? -8.928 -22.355 8.989 1.00 59.84 ? 31 ARG A NH2 1 ATOM 235 N N . ARG A 1 32 ? -4.491 -25.541 16.480 1.00 48.92 ? 32 ARG A N 1 ATOM 236 C CA . ARG A 1 32 ? -4.229 -26.578 17.488 1.00 49.81 ? 32 ARG A CA 1 ATOM 237 C C . ARG A 1 32 ? -4.462 -26.008 18.865 1.00 54.27 ? 32 ARG A C 1 ATOM 238 O O . ARG A 1 32 ? -4.978 -26.692 19.731 1.00 49.56 ? 32 ARG A O 1 ATOM 239 C CB . ARG A 1 32 ? -2.755 -27.041 17.503 1.00 61.83 ? 32 ARG A CB 1 ATOM 240 C CG . ARG A 1 32 ? -2.228 -27.914 16.359 1.00 67.03 ? 32 ARG A CG 1 ATOM 241 C CD . ARG A 1 32 ? -1.029 -28.748 16.839 1.00 66.30 ? 32 ARG A CD 1 ATOM 242 N NE . ARG A 1 32 ? 0.180 -28.587 16.006 1.00 71.02 ? 32 ARG A NE 1 ATOM 243 C CZ . ARG A 1 32 ? 1.441 -28.648 16.462 1.00 70.73 ? 32 ARG A CZ 1 ATOM 244 N NH1 . ARG A 1 32 ? 1.700 -28.864 17.750 1.00 77.10 ? 32 ARG A NH1 1 ATOM 245 N NH2 . ARG A 1 32 ? 2.466 -28.478 15.638 1.00 66.70 ? 32 ARG A NH2 1 ATOM 246 N N . SER A 1 33 ? -3.974 -24.786 19.102 1.00 53.70 ? 33 SER A N 1 ATOM 247 C CA . SER A 1 33 ? -4.069 -24.212 20.429 1.00 49.69 ? 33 SER A CA 1 ATOM 248 C C . SER A 1 33 ? -4.402 -22.737 20.306 1.00 53.66 ? 33 SER A C 1 ATOM 249 O O . SER A 1 33 ? -3.533 -21.873 20.330 1.00 47.52 ? 33 SER A O 1 ATOM 250 C CB . SER A 1 33 ? -2.786 -24.439 21.211 1.00 53.37 ? 33 SER A CB 1 ATOM 251 O OG . SER A 1 33 ? -3.024 -24.096 22.562 1.00 58.08 ? 33 SER A OG 1 ATOM 252 N N . PRO A 1 34 ? -5.679 -22.444 20.160 1.00 51.13 ? 34 PRO A N 1 ATOM 253 C CA . PRO A 1 34 ? -6.067 -21.089 19.749 1.00 50.68 ? 34 PRO A CA 1 ATOM 254 C C . PRO A 1 34 ? -5.898 -19.957 20.782 1.00 45.61 ? 34 PRO A C 1 ATOM 255 O O . PRO A 1 34 ? -6.217 -18.796 20.476 1.00 43.58 ? 34 PRO A O 1 ATOM 256 C CB . PRO A 1 34 ? -7.556 -21.262 19.371 1.00 51.53 ? 34 PRO A CB 1 ATOM 257 C CG . PRO A 1 34 ? -7.798 -22.764 19.316 1.00 55.48 ? 34 PRO A CG 1 ATOM 258 C CD . PRO A 1 34 ? -6.844 -23.344 20.301 1.00 51.39 ? 34 PRO A CD 1 ATOM 259 N N . ALA A 1 35 ? -5.459 -20.277 21.991 1.00 45.26 ? 35 ALA A N 1 ATOM 260 C CA . ALA A 1 35 ? -5.064 -19.242 22.936 1.00 41.57 ? 35 ALA A CA 1 ATOM 261 C C . ALA A 1 35 ? -3.595 -18.751 22.680 1.00 42.35 ? 35 ALA A C 1 ATOM 262 O O . ALA A 1 35 ? -3.164 -17.768 23.239 1.00 35.90 ? 35 ALA A O 1 ATOM 263 C CB . ALA A 1 35 ? -5.243 -19.731 24.346 1.00 42.07 ? 35 ALA A CB 1 ATOM 264 N N . LEU A 1 36 ? -2.869 -19.397 21.777 1.00 43.62 ? 36 LEU A N 1 ATOM 265 C CA . LEU A 1 36 ? -1.482 -19.016 21.491 1.00 44.00 ? 36 LEU A CA 1 ATOM 266 C C . LEU A 1 36 ? -1.284 -17.629 20.856 1.00 45.51 ? 36 LEU A C 1 ATOM 267 O O . LEU A 1 36 ? -1.627 -17.385 19.679 1.00 39.05 ? 36 LEU A O 1 ATOM 268 C CB . LEU A 1 36 ? -0.790 -20.062 20.621 1.00 40.16 ? 36 LEU A CB 1 ATOM 269 C CG . LEU A 1 36 ? -0.234 -21.357 21.229 1.00 46.82 ? 36 LEU A CG 1 ATOM 270 C CD1 . LEU A 1 36 ? 0.612 -22.062 20.157 1.00 51.87 ? 36 LEU A CD1 1 ATOM 271 C CD2 . LEU A 1 36 ? 0.612 -21.183 22.493 1.00 42.06 ? 36 LEU A CD2 1 ATOM 272 N N . GLY A 1 37 ? -0.678 -16.723 21.629 1.00 44.10 ? 37 GLY A N 1 ATOM 273 C CA . GLY A 1 37 ? -0.286 -15.424 21.100 1.00 42.90 ? 37 GLY A CA 1 ATOM 274 C C . GLY A 1 37 ? -1.408 -14.431 21.300 1.00 45.90 ? 37 GLY A C 1 ATOM 275 O O . GLY A 1 37 ? -1.299 -13.281 20.904 1.00 45.11 ? 37 GLY A O 1 ATOM 276 N N . ALA A 1 38 ? -2.484 -14.898 21.924 1.00 48.40 ? 38 ALA A N 1 ATOM 277 C CA . ALA A 1 38 ? -3.550 -14.055 22.465 1.00 46.45 ? 38 ALA A CA 1 ATOM 278 C C . ALA A 1 38 ? -3.118 -13.192 23.642 1.00 45.76 ? 38 ALA A C 1 ATOM 279 O O . ALA A 1 38 ? -2.402 -13.618 24.546 1.00 45.20 ? 38 ALA A O 1 ATOM 280 C CB . ALA A 1 38 ? -4.746 -14.902 22.906 1.00 43.72 ? 38 ALA A CB 1 ATOM 281 N N . ALA A 1 39 ? -3.694 -12.017 23.643 1.00 45.74 ? 39 ALA A N 1 ATOM 282 C CA . ALA A 1 39 ? -3.561 -11.098 24.719 1.00 44.98 ? 39 ALA A CA 1 ATOM 283 C C . ALA A 1 39 ? -4.076 -11.662 26.028 1.00 44.53 ? 39 ALA A C 1 ATOM 284 O O . ALA A 1 39 ? -4.671 -12.683 26.068 1.00 49.64 ? 39 ALA A O 1 ATOM 285 C CB . ALA A 1 39 ? -4.286 -9.827 24.354 1.00 41.77 ? 39 ALA A CB 1 ATOM 286 N N . ASN A 1 40 ? -3.782 -10.968 27.099 1.00 43.32 ? 40 ASN A N 1 ATOM 287 C CA . ASN A 1 40 ? -4.245 -11.265 28.440 1.00 48.62 ? 40 ASN A CA 1 ATOM 288 C C . ASN A 1 40 ? -3.946 -12.599 29.063 1.00 42.09 ? 40 ASN A C 1 ATOM 289 O O . ASN A 1 40 ? -4.554 -13.000 30.000 1.00 48.11 ? 40 ASN A O 1 ATOM 290 C CB . ASN A 1 40 ? -5.698 -10.952 28.563 1.00 50.21 ? 40 ASN A CB 1 ATOM 291 C CG . ASN A 1 40 ? -5.966 -10.092 29.742 1.00 59.70 ? 40 ASN A CG 1 ATOM 292 O OD1 . ASN A 1 40 ? -6.146 -10.589 30.834 1.00 60.63 ? 40 ASN A OD1 1 ATOM 293 N ND2 . ASN A 1 40 ? -5.965 -8.785 29.540 1.00 67.11 ? 40 ASN A ND2 1 ATOM 294 N N . ARG A 1 41 ? -2.949 -13.232 28.534 1.00 47.38 ? 41 ARG A N 1 ATOM 295 C CA . ARG A 1 41 ? -2.395 -14.525 28.965 1.00 46.41 ? 41 ARG A CA 1 ATOM 296 C C . ARG A 1 41 ? -0.906 -14.416 29.446 1.00 49.03 ? 41 ARG A C 1 ATOM 297 O O . ARG A 1 41 ? -0.285 -13.352 29.316 1.00 39.14 ? 41 ARG A O 1 ATOM 298 C CB . ARG A 1 41 ? -2.495 -15.511 27.819 1.00 47.16 ? 41 ARG A CB 1 ATOM 299 C CG . ARG A 1 41 ? -3.945 -15.834 27.480 1.00 49.48 ? 41 ARG A CG 1 ATOM 300 C CD . ARG A 1 41 ? -4.100 -16.865 26.393 1.00 52.85 ? 41 ARG A CD 1 ATOM 301 N NE . ARG A 1 41 ? -5.526 -17.025 26.191 1.00 64.75 ? 41 ARG A NE 1 ATOM 302 C CZ . ARG A 1 41 ? -6.330 -17.795 26.914 1.00 71.25 ? 41 ARG A CZ 1 ATOM 303 N NH1 . ARG A 1 41 ? -5.847 -18.534 27.908 1.00 73.11 ? 41 ARG A NH1 1 ATOM 304 N NH2 . ARG A 1 41 ? -7.634 -17.830 26.626 1.00 71.81 ? 41 ARG A NH2 1 ATOM 305 N N . ALA A 1 42 ? -0.385 -15.499 30.012 1.00 41.84 ? 42 ALA A N 1 ATOM 306 C CA . ALA A 1 42 ? 0.955 -15.495 30.587 1.00 38.25 ? 42 ALA A CA 1 ATOM 307 C C . ALA A 1 42 ? 2.044 -15.488 29.521 1.00 33.88 ? 42 ALA A C 1 ATOM 308 O O . ALA A 1 42 ? 2.129 -16.402 28.701 1.00 38.80 ? 42 ALA A O 1 ATOM 309 C CB . ALA A 1 42 ? 1.133 -16.683 31.520 1.00 39.47 ? 42 ALA A CB 1 ATOM 310 N N . LEU A 1 43 ? 2.877 -14.453 29.541 1.00 35.99 ? 43 LEU A N 1 ATOM 311 C CA . LEU A 1 43 ? 3.998 -14.364 28.615 1.00 32.08 ? 43 LEU A CA 1 ATOM 312 C C . LEU A 1 43 ? 4.759 -15.682 28.621 1.00 36.01 ? 43 LEU A C 1 ATOM 313 O O . LEU A 1 43 ? 4.671 -16.452 29.578 1.00 36.49 ? 43 LEU A O 1 ATOM 314 C CB . LEU A 1 43 ? 4.927 -13.214 29.004 1.00 36.72 ? 43 LEU A CB 1 ATOM 315 C CG . LEU A 1 43 ? 4.304 -11.817 29.026 1.00 36.32 ? 43 LEU A CG 1 ATOM 316 C CD1 . LEU A 1 43 ? 4.994 -10.937 30.057 1.00 34.11 ? 43 LEU A CD1 1 ATOM 317 C CD2 . LEU A 1 43 ? 4.364 -11.180 27.646 1.00 37.01 ? 43 LEU A CD2 1 ATOM 318 N N . ALA A 1 44 ? 5.503 -15.945 27.553 1.00 37.68 ? 44 ALA A N 1 ATOM 319 C CA . ALA A 1 44 ? 6.235 -17.203 27.439 1.00 36.80 ? 44 ALA A CA 1 ATOM 320 C C . ALA A 1 44 ? 7.535 -17.192 28.261 1.00 42.00 ? 44 ALA A C 1 ATOM 321 O O . ALA A 1 44 ? 8.205 -16.163 28.354 1.00 36.83 ? 44 ALA A O 1 ATOM 322 C CB . ALA A 1 44 ? 6.561 -17.461 25.939 1.00 33.14 ? 44 ALA A CB 1 ATOM 323 N N . ARG A 1 45 ? 7.912 -18.350 28.818 1.00 35.90 ? 45 ARG A N 1 ATOM 324 C CA . ARG A 1 45 ? 9.199 -18.498 29.503 1.00 34.52 ? 45 ARG A CA 1 ATOM 325 C C . ARG A 1 45 ? 10.109 -19.245 28.623 1.00 34.81 ? 45 ARG A C 1 ATOM 326 O O . ARG A 1 45 ? 9.913 -20.450 28.476 1.00 38.98 ? 45 ARG A O 1 ATOM 327 C CB . ARG A 1 45 ? 9.081 -19.323 30.794 1.00 33.13 ? 45 ARG A CB 1 ATOM 328 C CG . ARG A 1 45 ? 8.461 -18.552 31.921 1.00 31.19 ? 45 ARG A CG 1 ATOM 329 C CD . ARG A 1 45 ? 9.398 -17.533 32.523 1.00 32.65 ? 45 ARG A CD 1 ATOM 330 N NE . ARG A 1 45 ? 8.694 -16.753 33.556 1.00 34.52 ? 45 ARG A NE 1 ATOM 331 C CZ . ARG A 1 45 ? 9.246 -15.734 34.195 1.00 35.94 ? 45 ARG A CZ 1 ATOM 332 N NH1 . ARG A 1 45 ? 10.515 -15.431 33.959 1.00 36.26 ? 45 ARG A NH1 1 ATOM 333 N NH2 . ARG A 1 45 ? 8.546 -15.063 35.096 1.00 39.19 ? 45 ARG A NH2 1 ATOM 334 N N . TRP A 1 46 ? 11.116 -18.601 28.036 1.00 30.01 ? 46 TRP A N 1 ATOM 335 C CA . TRP A 1 46 ? 12.106 -19.389 27.262 1.00 32.81 ? 46 TRP A CA 1 ATOM 336 C C . TRP A 1 46 ? 12.986 -20.179 28.258 1.00 35.16 ? 46 TRP A C 1 ATOM 337 O O . TRP A 1 46 ? 13.515 -21.205 27.946 1.00 34.07 ? 46 TRP A O 1 ATOM 338 C CB . TRP A 1 46 ? 12.947 -18.487 26.360 1.00 32.29 ? 46 TRP A CB 1 ATOM 339 C CG . TRP A 1 46 ? 12.173 -17.994 25.152 1.00 34.10 ? 46 TRP A CG 1 ATOM 340 C CD1 . TRP A 1 46 ? 10.917 -18.407 24.738 1.00 37.00 ? 46 TRP A CD1 1 ATOM 341 C CD2 . TRP A 1 46 ? 12.601 -17.030 24.198 1.00 38.05 ? 46 TRP A CD2 1 ATOM 342 N NE1 . TRP A 1 46 ? 10.537 -17.711 23.601 1.00 39.92 ? 46 TRP A NE1 1 ATOM 343 C CE2 . TRP A 1 46 ? 11.548 -16.866 23.253 1.00 37.26 ? 46 TRP A CE2 1 ATOM 344 C CE3 . TRP A 1 46 ? 13.751 -16.255 24.061 1.00 35.33 ? 46 TRP A CE3 1 ATOM 345 C CZ2 . TRP A 1 46 ? 11.651 -16.013 22.180 1.00 38.15 ? 46 TRP A CZ2 1 ATOM 346 C CZ3 . TRP A 1 46 ? 13.820 -15.377 23.029 1.00 37.86 ? 46 TRP A CZ3 1 ATOM 347 C CH2 . TRP A 1 46 ? 12.778 -15.258 22.093 1.00 37.39 ? 46 TRP A CH2 1 ATOM 348 N N . LEU A 1 47 ? 13.132 -19.651 29.459 1.00 35.06 ? 47 LEU A N 1 ATOM 349 C CA . LEU A 1 47 ? 14.047 -20.186 30.435 1.00 34.91 ? 47 LEU A CA 1 ATOM 350 C C . LEU A 1 47 ? 13.282 -20.113 31.730 1.00 36.31 ? 47 LEU A C 1 ATOM 351 O O . LEU A 1 47 ? 12.538 -19.152 31.962 1.00 37.05 ? 47 LEU A O 1 ATOM 352 C CB . LEU A 1 47 ? 15.321 -19.381 30.554 1.00 33.42 ? 47 LEU A CB 1 ATOM 353 C CG . LEU A 1 47 ? 16.503 -19.717 29.678 1.00 35.93 ? 47 LEU A CG 1 ATOM 354 C CD1 . LEU A 1 47 ? 17.665 -18.802 30.043 1.00 37.09 ? 47 LEU A CD1 1 ATOM 355 C CD2 . LEU A 1 47 ? 16.845 -21.179 29.804 1.00 33.19 ? 47 LEU A CD2 1 ATOM 356 N N . PRO A 1 48 ? 13.396 -21.159 32.553 1.00 34.29 ? 48 PRO A N 1 ATOM 357 C CA . PRO A 1 48 ? 12.625 -21.100 33.801 1.00 35.44 ? 48 PRO A CA 1 ATOM 358 C C . PRO A 1 48 ? 12.903 -19.815 34.556 1.00 32.93 ? 48 PRO A C 1 ATOM 359 O O . PRO A 1 48 ? 13.964 -19.271 34.426 1.00 31.63 ? 48 PRO A O 1 ATOM 360 C CB . PRO A 1 48 ? 13.124 -22.332 34.604 1.00 36.74 ? 48 PRO A CB 1 ATOM 361 C CG . PRO A 1 48 ? 13.693 -23.266 33.570 1.00 36.91 ? 48 PRO A CG 1 ATOM 362 C CD . PRO A 1 48 ? 14.100 -22.440 32.361 1.00 36.32 ? 48 PRO A CD 1 ATOM 363 N N . ALA A 1 49 ? 11.939 -19.350 35.332 1.00 34.49 ? 49 ALA A N 1 ATOM 364 C CA . ALA A 1 49 ? 12.043 -18.063 35.994 1.00 35.67 ? 49 ALA A CA 1 ATOM 365 C C . ALA A 1 49 ? 12.961 -18.151 37.199 1.00 38.82 ? 49 ALA A C 1 ATOM 366 O O . ALA A 1 49 ? 13.192 -19.214 37.765 1.00 40.19 ? 49 ALA A O 1 ATOM 367 C CB . ALA A 1 49 ? 10.663 -17.573 36.413 1.00 35.32 ? 49 ALA A CB 1 ATOM 368 N N . GLU A 1 50 ? 13.477 -17.016 37.637 1.00 35.73 ? 50 GLU A N 1 ATOM 369 C CA . GLU A 1 50 ? 14.467 -17.053 38.667 1.00 34.50 ? 50 GLU A CA 1 ATOM 370 C C . GLU A 1 50 ? 14.096 -16.030 39.675 1.00 35.94 ? 50 GLU A C 1 ATOM 371 O O . GLU A 1 50 ? 14.175 -14.816 39.434 1.00 36.78 ? 50 GLU A O 1 ATOM 372 C CB . GLU A 1 50 ? 15.889 -16.844 38.091 1.00 33.98 ? 50 GLU A CB 1 ATOM 373 C CG . GLU A 1 50 ? 16.499 -18.141 37.606 1.00 36.74 ? 50 GLU A CG 1 ATOM 374 C CD . GLU A 1 50 ? 17.864 -17.955 37.022 1.00 37.12 ? 50 GLU A CD 1 ATOM 375 O OE1 . GLU A 1 50 ? 18.633 -17.164 37.586 1.00 32.27 ? 50 GLU A OE1 1 ATOM 376 O OE2 . GLU A 1 50 ? 18.168 -18.613 36.018 1.00 39.40 ? 50 GLU A OE2 1 ATOM 377 N N . TYR A 1 51 ? 13.600 -16.541 40.785 1.00 38.37 ? 51 TYR A N 1 ATOM 378 C CA . TYR A 1 51 ? 13.202 -15.733 41.893 1.00 39.26 ? 51 TYR A CA 1 ATOM 379 C C . TYR A 1 51 ? 13.998 -16.140 43.131 1.00 36.35 ? 51 TYR A C 1 ATOM 380 O O . TYR A 1 51 ? 14.405 -17.263 43.285 1.00 39.64 ? 51 TYR A O 1 ATOM 381 C CB . TYR A 1 51 ? 11.700 -15.906 42.143 1.00 37.70 ? 51 TYR A CB 1 ATOM 382 C CG . TYR A 1 51 ? 10.781 -15.301 41.095 1.00 39.40 ? 51 TYR A CG 1 ATOM 383 C CD1 . TYR A 1 51 ? 10.128 -16.116 40.174 1.00 38.53 ? 51 TYR A CD1 1 ATOM 384 C CD2 . TYR A 1 51 ? 10.490 -13.933 41.080 1.00 41.88 ? 51 TYR A CD2 1 ATOM 385 C CE1 . TYR A 1 51 ? 9.254 -15.596 39.260 1.00 37.96 ? 51 TYR A CE1 1 ATOM 386 C CE2 . TYR A 1 51 ? 9.630 -13.396 40.134 1.00 42.80 ? 51 TYR A CE2 1 ATOM 387 C CZ . TYR A 1 51 ? 9.033 -14.222 39.212 1.00 37.88 ? 51 TYR A CZ 1 ATOM 388 O OH . TYR A 1 51 ? 8.143 -13.745 38.275 1.00 40.88 ? 51 TYR A OH 1 ATOM 389 N N . GLU A 1 52 ? 14.181 -15.180 44.020 1.00 36.18 ? 52 GLU A N 1 ATOM 390 C CA . GLU A 1 52 ? 14.787 -15.349 45.338 1.00 39.07 ? 52 GLU A CA 1 ATOM 391 C C . GLU A 1 52 ? 14.263 -16.595 46.089 1.00 39.20 ? 52 GLU A C 1 ATOM 392 O O . GLU A 1 52 ? 15.042 -17.386 46.611 1.00 44.46 ? 52 GLU A O 1 ATOM 393 C CB . GLU A 1 52 ? 14.470 -14.063 46.136 1.00 39.80 ? 52 GLU A CB 1 ATOM 394 C CG . GLU A 1 52 ? 14.791 -14.097 47.610 1.00 44.07 ? 52 GLU A CG 1 ATOM 395 C CD . GLU A 1 52 ? 14.658 -12.739 48.269 1.00 40.06 ? 52 GLU A CD 1 ATOM 396 O OE1 . GLU A 1 52 ? 13.626 -12.553 48.926 1.00 39.92 ? 52 GLU A OE1 1 ATOM 397 O OE2 . GLU A 1 52 ? 15.560 -11.868 48.131 1.00 38.25 ? 52 GLU A OE2 1 ATOM 398 N N . ASP A 1 53 ? 12.948 -16.757 46.132 1.00 41.66 ? 53 ASP A N 1 ATOM 399 C CA . ASP A 1 53 ? 12.330 -17.842 46.889 1.00 43.11 ? 53 ASP A CA 1 ATOM 400 C C . ASP A 1 53 ? 11.899 -19.025 46.004 1.00 45.66 ? 53 ASP A C 1 ATOM 401 O O . ASP A 1 53 ? 11.040 -19.804 46.412 1.00 39.69 ? 53 ASP A O 1 ATOM 402 C CB . ASP A 1 53 ? 11.138 -17.305 47.698 1.00 41.66 ? 53 ASP A CB 1 ATOM 403 C CG . ASP A 1 53 ? 9.956 -16.892 46.821 1.00 43.56 ? 53 ASP A CG 1 ATOM 404 O OD1 . ASP A 1 53 ? 10.100 -16.735 45.569 1.00 40.94 ? 53 ASP A OD1 1 ATOM 405 O OD2 . ASP A 1 53 ? 8.876 -16.721 47.397 1.00 37.09 ? 53 ASP A OD2 1 ATOM 406 N N . GLY A 1 54 ? 12.478 -19.119 44.793 1.00 43.99 ? 54 GLY A N 1 ATOM 407 C CA . GLY A 1 54 ? 12.033 -20.045 43.778 1.00 44.01 ? 54 GLY A CA 1 ATOM 408 C C . GLY A 1 54 ? 10.714 -19.717 43.042 1.00 45.65 ? 54 GLY A C 1 ATOM 409 O O . GLY A 1 54 ? 10.474 -20.237 41.951 1.00 41.28 ? 54 GLY A O 1 ATOM 410 N N . LEU A 1 55 ? 9.863 -18.866 43.600 1.00 43.36 ? 55 LEU A N 1 ATOM 411 C CA . LEU A 1 55 ? 8.443 -18.819 43.186 1.00 42.62 ? 55 LEU A CA 1 ATOM 412 C C . LEU A 1 55 ? 8.294 -17.409 42.645 1.00 42.92 ? 55 LEU A C 1 ATOM 413 O O . LEU A 1 55 ? 8.379 -17.186 41.429 1.00 39.09 ? 55 LEU A O 1 ATOM 414 C CB . LEU A 1 55 ? 7.571 -19.191 44.384 1.00 45.79 ? 55 LEU A CB 1 ATOM 415 C CG . LEU A 1 55 ? 7.833 -20.622 44.879 1.00 52.00 ? 55 LEU A CG 1 ATOM 416 C CD1 . LEU A 1 55 ? 6.928 -20.971 46.059 1.00 50.43 ? 55 LEU A CD1 1 ATOM 417 C CD2 . LEU A 1 55 ? 7.654 -21.613 43.720 1.00 48.10 ? 55 LEU A CD2 1 ATOM 418 N N . ALA A 1 56 ? 8.003 -16.472 43.550 1.00 44.76 ? 56 ALA A N 1 ATOM 419 C CA . ALA A 1 56 ? 7.628 -15.140 43.144 1.00 42.96 ? 56 ALA A CA 1 ATOM 420 C C . ALA A 1 56 ? 8.435 -13.911 43.593 1.00 42.41 ? 56 ALA A C 1 ATOM 421 O O . ALA A 1 56 ? 8.199 -12.832 43.086 1.00 41.35 ? 56 ALA A O 1 ATOM 422 C CB . ALA A 1 56 ? 6.221 -15.103 43.727 1.00 46.60 ? 56 ALA A CB 1 ATOM 423 N N . LEU A 1 57 ? 9.501 -13.836 44.478 1.00 41.41 ? 57 LEU A N 1 ATOM 424 C CA . LEU A 1 57 ? 10.124 -12.654 45.006 1.00 42.17 ? 57 LEU A CA 1 ATOM 425 C C . LEU A 1 57 ? 11.295 -12.278 44.129 1.00 39.57 ? 57 LEU A C 1 ATOM 426 O O . LEU A 1 57 ? 12.158 -13.091 43.832 1.00 39.63 ? 57 LEU A O 1 ATOM 427 C CB . LEU A 1 57 ? 10.540 -12.871 46.477 1.00 44.70 ? 57 LEU A CB 1 ATOM 428 C CG . LEU A 1 57 ? 9.444 -13.099 47.544 1.00 45.25 ? 57 LEU A CG 1 ATOM 429 C CD1 . LEU A 1 57 ? 9.868 -13.447 48.955 1.00 45.12 ? 57 LEU A CD1 1 ATOM 430 C CD2 . LEU A 1 57 ? 8.564 -11.860 47.630 1.00 47.10 ? 57 LEU A CD2 1 ATOM 431 N N . PRO A 1 58 ? 11.329 -11.024 43.694 1.00 39.60 ? 58 PRO A N 1 ATOM 432 C CA . PRO A 1 58 ? 12.394 -10.562 42.797 1.00 36.95 ? 58 PRO A CA 1 ATOM 433 C C . PRO A 1 58 ? 13.726 -10.366 43.518 1.00 40.19 ? 58 PRO A C 1 ATOM 434 O O . PRO A 1 58 ? 13.806 -9.552 44.438 1.00 38.17 ? 58 PRO A O 1 ATOM 435 C CB . PRO A 1 58 ? 11.866 -9.216 42.297 1.00 39.22 ? 58 PRO A CB 1 ATOM 436 C CG . PRO A 1 58 ? 10.982 -8.735 43.396 1.00 38.91 ? 58 PRO A CG 1 ATOM 437 C CD . PRO A 1 58 ? 10.344 -9.965 43.978 1.00 39.18 ? 58 PRO A CD 1 ATOM 438 N N . PHE A 1 59 ? 14.752 -11.106 43.118 1.00 41.24 ? 59 PHE A N 1 ATOM 439 C CA . PHE A 1 59 ? 16.047 -10.961 43.719 1.00 41.59 ? 59 PHE A CA 1 ATOM 440 C C . PHE A 1 59 ? 16.408 -9.565 44.148 1.00 44.58 ? 59 PHE A C 1 ATOM 441 O O . PHE A 1 59 ? 16.325 -8.660 43.368 1.00 47.60 ? 59 PHE A O 1 ATOM 442 C CB . PHE A 1 59 ? 17.149 -11.431 42.783 1.00 44.12 ? 59 PHE A CB 1 ATOM 443 C CG . PHE A 1 59 ? 17.445 -12.885 42.915 1.00 47.33 ? 59 PHE A CG 1 ATOM 444 C CD1 . PHE A 1 59 ? 17.102 -13.770 41.931 1.00 47.84 ? 59 PHE A CD1 1 ATOM 445 C CD2 . PHE A 1 59 ? 18.008 -13.376 44.068 1.00 45.05 ? 59 PHE A CD2 1 ATOM 446 C CE1 . PHE A 1 59 ? 17.337 -15.111 42.085 1.00 47.91 ? 59 PHE A CE1 1 ATOM 447 C CE2 . PHE A 1 59 ? 18.258 -14.703 44.210 1.00 44.47 ? 59 PHE A CE2 1 ATOM 448 C CZ . PHE A 1 59 ? 17.923 -15.575 43.219 1.00 44.28 ? 59 PHE A CZ 1 ATOM 449 N N . GLY A 1 60 ? 16.719 -9.376 45.395 1.00 44.63 ? 60 GLY A N 1 ATOM 450 C CA . GLY A 1 60 ? 16.886 -8.040 45.867 1.00 47.43 ? 60 GLY A CA 1 ATOM 451 C C . GLY A 1 60 ? 15.822 -7.679 46.865 1.00 43.60 ? 60 GLY A C 1 ATOM 452 O O . GLY A 1 60 ? 15.888 -6.641 47.452 1.00 42.81 ? 60 GLY A O 1 ATOM 453 N N . TRP A 1 61 ? 14.856 -8.553 47.058 1.00 40.77 ? 61 TRP A N 1 ATOM 454 C CA . TRP A 1 61 ? 13.723 -8.277 47.964 1.00 41.10 ? 61 TRP A CA 1 ATOM 455 C C . TRP A 1 61 ? 14.188 -8.440 49.379 1.00 41.70 ? 61 TRP A C 1 ATOM 456 O O . TRP A 1 61 ? 13.837 -7.652 50.246 1.00 36.92 ? 61 TRP A O 1 ATOM 457 C CB . TRP A 1 61 ? 12.616 -9.286 47.726 1.00 39.27 ? 61 TRP A CB 1 ATOM 458 C CG . TRP A 1 61 ? 11.355 -9.139 48.525 1.00 37.75 ? 61 TRP A CG 1 ATOM 459 C CD1 . TRP A 1 61 ? 11.018 -9.848 49.640 1.00 38.62 ? 61 TRP A CD1 1 ATOM 460 C CD2 . TRP A 1 61 ? 10.203 -8.337 48.198 1.00 37.20 ? 61 TRP A CD2 1 ATOM 461 N NE1 . TRP A 1 61 ? 9.773 -9.504 50.055 1.00 40.51 ? 61 TRP A NE1 1 ATOM 462 C CE2 . TRP A 1 61 ? 9.247 -8.567 49.201 1.00 40.10 ? 61 TRP A CE2 1 ATOM 463 C CE3 . TRP A 1 61 ? 9.909 -7.415 47.184 1.00 35.72 ? 61 TRP A CE3 1 ATOM 464 C CZ2 . TRP A 1 61 ? 8.016 -7.916 49.216 1.00 37.24 ? 61 TRP A CZ2 1 ATOM 465 C CZ3 . TRP A 1 61 ? 8.721 -6.785 47.190 1.00 36.51 ? 61 TRP A CZ3 1 ATOM 466 C CH2 . TRP A 1 61 ? 7.768 -7.033 48.199 1.00 39.92 ? 61 TRP A CH2 1 ATOM 467 N N . THR A 1 62 ? 14.954 -9.499 49.601 1.00 46.38 ? 62 THR A N 1 ATOM 468 C CA . THR A 1 62 ? 15.442 -9.822 50.943 1.00 49.83 ? 62 THR A CA 1 ATOM 469 C C . THR A 1 62 ? 16.900 -9.489 51.005 1.00 50.98 ? 62 THR A C 1 ATOM 470 O O . THR A 1 62 ? 17.736 -10.002 50.253 1.00 53.13 ? 62 THR A O 1 ATOM 471 C CB . THR A 1 62 ? 15.215 -11.290 51.354 1.00 48.57 ? 62 THR A CB 1 ATOM 472 O OG1 . THR A 1 62 ? 13.869 -11.649 51.057 1.00 40.23 ? 62 THR A OG1 1 ATOM 473 C CG2 . THR A 1 62 ? 15.444 -11.456 52.889 1.00 48.84 ? 62 THR A CG2 1 ATOM 474 N N . GLN A 1 63 ? 17.207 -8.634 51.970 1.00 54.10 ? 63 GLN A N 1 ATOM 475 C CA . GLN A 1 63 ? 18.566 -8.208 52.222 1.00 61.55 ? 63 GLN A CA 1 ATOM 476 C C . GLN A 1 63 ? 19.445 -9.341 52.736 1.00 63.30 ? 63 GLN A C 1 ATOM 477 O O . GLN A 1 63 ? 20.669 -9.204 52.735 1.00 82.07 ? 63 GLN A O 1 ATOM 478 C CB . GLN A 1 63 ? 18.584 -7.043 53.215 1.00 67.72 ? 63 GLN A CB 1 ATOM 479 C CG . GLN A 1 63 ? 17.762 -7.285 54.471 1.00 71.65 ? 63 GLN A CG 1 ATOM 480 C CD . GLN A 1 63 ? 16.273 -7.339 54.191 1.00 72.15 ? 63 GLN A CD 1 ATOM 481 O OE1 . GLN A 1 63 ? 15.843 -7.275 53.040 1.00 75.31 ? 63 GLN A OE1 1 ATOM 482 N NE2 . GLN A 1 63 ? 15.477 -7.459 55.247 1.00 81.31 ? 63 GLN A NE2 1 ATOM 483 N N . ARG A 1 64 ? 18.865 -10.458 53.180 1.00 57.78 ? 64 ARG A N 1 ATOM 484 C CA . ARG A 1 64 ? 19.755 -11.486 53.682 1.00 63.97 ? 64 ARG A CA 1 ATOM 485 C C . ARG A 1 64 ? 19.779 -12.675 52.730 1.00 60.36 ? 64 ARG A C 1 ATOM 486 O O . ARG A 1 64 ? 19.961 -13.814 53.176 1.00 71.47 ? 64 ARG A O 1 ATOM 487 C CB . ARG A 1 64 ? 19.304 -11.931 55.063 1.00 68.52 ? 64 ARG A CB 1 ATOM 488 C CG . ARG A 1 64 ? 18.073 -12.815 55.005 1.00 75.36 ? 64 ARG A CG 1 ATOM 489 C CD . ARG A 1 64 ? 17.263 -12.828 56.258 1.00 79.88 ? 64 ARG A CD 1 ATOM 490 N NE . ARG A 1 64 ? 16.285 -13.897 56.222 1.00 85.28 ? 64 ARG A NE 1 ATOM 491 C CZ . ARG A 1 64 ? 16.561 -15.140 55.862 1.00 88.43 ? 64 ARG A CZ 1 ATOM 492 N NH1 . ARG A 1 64 ? 17.796 -15.475 55.506 1.00 98.43 ? 64 ARG A NH1 1 ATOM 493 N NH2 . ARG A 1 64 ? 15.615 -16.060 55.884 1.00 87.64 ? 64 ARG A NH2 1 ATOM 494 N N . LYS A 1 65 ? 19.506 -12.405 51.467 1.00 53.85 ? 65 LYS A N 1 ATOM 495 C CA . LYS A 1 65 ? 19.468 -13.382 50.395 1.00 48.45 ? 65 LYS A CA 1 ATOM 496 C C . LYS A 1 65 ? 20.340 -12.938 49.235 1.00 43.07 ? 65 LYS A C 1 ATOM 497 O O . LYS A 1 65 ? 20.032 -12.043 48.492 1.00 46.06 ? 65 LYS A O 1 ATOM 498 C CB . LYS A 1 65 ? 18.041 -13.593 49.928 1.00 47.53 ? 65 LYS A CB 1 ATOM 499 C CG . LYS A 1 65 ? 17.167 -14.343 50.925 1.00 53.74 ? 65 LYS A CG 1 ATOM 500 C CD . LYS A 1 65 ? 16.886 -15.765 50.461 1.00 58.95 ? 65 LYS A CD 1 ATOM 501 C CE . LYS A 1 65 ? 15.602 -16.334 51.068 1.00 64.28 ? 65 LYS A CE 1 ATOM 502 N NZ . LYS A 1 65 ? 15.037 -17.431 50.231 1.00 59.63 ? 65 LYS A NZ 1 ATOM 503 N N . THR A 1 66 ? 21.437 -13.611 49.071 1.00 40.27 ? 66 THR A N 1 ATOM 504 C CA . THR A 1 66 ? 22.328 -13.282 48.007 1.00 41.60 ? 66 THR A CA 1 ATOM 505 C C . THR A 1 66 ? 21.850 -13.908 46.685 1.00 42.46 ? 66 THR A C 1 ATOM 506 O O . THR A 1 66 ? 20.876 -14.674 46.634 1.00 38.05 ? 66 THR A O 1 ATOM 507 C CB . THR A 1 66 ? 23.687 -13.827 48.359 1.00 38.46 ? 66 THR A CB 1 ATOM 508 O OG1 . THR A 1 66 ? 23.657 -15.264 48.265 1.00 42.37 ? 66 THR A OG1 1 ATOM 509 C CG2 . THR A 1 66 ? 24.056 -13.354 49.798 1.00 40.42 ? 66 THR A CG2 1 ATOM 510 N N . ARG A 1 67 ? 22.515 -13.551 45.602 1.00 39.36 ? 67 ARG A N 1 ATOM 511 C CA . ARG A 1 67 ? 22.296 -14.235 44.361 1.00 35.91 ? 67 ARG A CA 1 ATOM 512 C C . ARG A 1 67 ? 23.622 -14.779 44.101 1.00 37.38 ? 67 ARG A C 1 ATOM 513 O O . ARG A 1 67 ? 24.575 -14.013 44.054 1.00 31.97 ? 67 ARG A O 1 ATOM 514 C CB . ARG A 1 67 ? 21.874 -13.304 43.235 1.00 32.73 ? 67 ARG A CB 1 ATOM 515 C CG . ARG A 1 67 ? 21.476 -14.034 41.944 1.00 38.10 ? 67 ARG A CG 1 ATOM 516 C CD . ARG A 1 67 ? 20.964 -13.067 40.857 1.00 37.50 ? 67 ARG A CD 1 ATOM 517 N NE . ARG A 1 67 ? 20.308 -13.798 39.803 1.00 40.71 ? 67 ARG A NE 1 ATOM 518 C CZ . ARG A 1 67 ? 19.317 -13.353 39.015 1.00 37.45 ? 67 ARG A CZ 1 ATOM 519 N NH1 . ARG A 1 67 ? 18.833 -12.101 39.055 1.00 40.17 ? 67 ARG A NH1 1 ATOM 520 N NH2 . ARG A 1 67 ? 18.767 -14.211 38.203 1.00 33.27 ? 67 ARG A NH2 1 ATOM 521 N N . ASN A 1 68 ? 23.712 -16.107 44.009 1.00 32.85 ? 68 ASN A N 1 ATOM 522 C CA . ASN A 1 68 ? 24.999 -16.729 43.834 1.00 33.15 ? 68 ASN A CA 1 ATOM 523 C C . ASN A 1 68 ? 26.066 -16.276 44.856 1.00 32.55 ? 68 ASN A C 1 ATOM 524 O O . ASN A 1 68 ? 27.243 -16.245 44.557 1.00 32.91 ? 68 ASN A O 1 ATOM 525 C CB . ASN A 1 68 ? 25.458 -16.486 42.427 1.00 33.55 ? 68 ASN A CB 1 ATOM 526 C CG . ASN A 1 68 ? 24.513 -17.063 41.439 1.00 39.64 ? 68 ASN A CG 1 ATOM 527 O OD1 . ASN A 1 68 ? 24.123 -18.229 41.586 1.00 36.29 ? 68 ASN A OD1 1 ATOM 528 N ND2 . ASN A 1 68 ? 24.046 -16.234 40.466 1.00 35.01 ? 68 ASN A ND2 1 ATOM 529 N N . GLY A 1 69 ? 25.623 -15.916 46.047 1.00 37.33 ? 69 GLY A N 1 ATOM 530 C CA . GLY A 1 69 ? 26.525 -15.672 47.169 1.00 38.74 ? 69 GLY A CA 1 ATOM 531 C C . GLY A 1 69 ? 26.920 -14.192 47.240 1.00 47.71 ? 69 GLY A C 1 ATOM 532 O O . GLY A 1 69 ? 27.835 -13.849 47.959 1.00 48.35 ? 69 GLY A O 1 ATOM 533 N N . PHE A 1 70 ? 26.224 -13.326 46.493 1.00 44.54 ? 70 PHE A N 1 ATOM 534 C CA . PHE A 1 70 ? 26.517 -11.890 46.454 1.00 40.91 ? 70 PHE A CA 1 ATOM 535 C C . PHE A 1 70 ? 25.221 -11.148 46.478 1.00 40.99 ? 70 PHE A C 1 ATOM 536 O O . PHE A 1 70 ? 24.233 -11.597 45.879 1.00 37.64 ? 70 PHE A O 1 ATOM 537 C CB . PHE A 1 70 ? 27.248 -11.493 45.174 1.00 46.01 ? 70 PHE A CB 1 ATOM 538 C CG . PHE A 1 70 ? 28.589 -12.114 45.033 1.00 43.62 ? 70 PHE A CG 1 ATOM 539 C CD1 . PHE A 1 70 ? 28.799 -13.115 44.126 1.00 43.70 ? 70 PHE A CD1 1 ATOM 540 C CD2 . PHE A 1 70 ? 29.627 -11.719 45.853 1.00 50.65 ? 70 PHE A CD2 1 ATOM 541 C CE1 . PHE A 1 70 ? 30.024 -13.717 43.996 1.00 41.86 ? 70 PHE A CE1 1 ATOM 542 C CE2 . PHE A 1 70 ? 30.877 -12.297 45.729 1.00 48.97 ? 70 PHE A CE2 1 ATOM 543 C CZ . PHE A 1 70 ? 31.071 -13.307 44.789 1.00 49.46 ? 70 PHE A CZ 1 ATOM 544 N N . ARG A 1 71 ? 25.206 -10.003 47.153 1.00 40.60 ? 71 ARG A N 1 ATOM 545 C CA . ARG A 1 71 ? 24.012 -9.187 47.164 1.00 42.70 ? 71 ARG A CA 1 ATOM 546 C C . ARG A 1 71 ? 23.916 -8.578 45.788 1.00 36.84 ? 71 ARG A C 1 ATOM 547 O O . ARG A 1 71 ? 24.897 -8.309 45.189 1.00 36.56 ? 71 ARG A O 1 ATOM 548 C CB . ARG A 1 71 ? 24.056 -8.114 48.264 1.00 49.40 ? 71 ARG A CB 1 ATOM 549 C CG . ARG A 1 71 ? 24.063 -8.698 49.675 1.00 60.25 ? 71 ARG A CG 1 ATOM 550 C CD . ARG A 1 71 ? 24.768 -7.795 50.680 1.00 67.66 ? 71 ARG A CD 1 ATOM 551 N NE . ARG A 1 71 ? 24.356 -8.108 52.049 1.00 71.16 ? 71 ARG A NE 1 ATOM 552 C CZ . ARG A 1 71 ? 23.174 -7.778 52.564 1.00 78.14 ? 71 ARG A CZ 1 ATOM 553 N NH1 . ARG A 1 71 ? 22.282 -7.125 51.822 1.00 85.54 ? 71 ARG A NH1 1 ATOM 554 N NH2 . ARG A 1 71 ? 22.869 -8.108 53.817 1.00 75.73 ? 71 ARG A NH2 1 ATOM 555 N N . VAL A 1 72 ? 22.711 -8.420 45.287 1.00 36.53 ? 72 VAL A N 1 ATOM 556 C CA . VAL A 1 72 ? 22.496 -7.672 44.081 1.00 40.23 ? 72 VAL A CA 1 ATOM 557 C C . VAL A 1 72 ? 22.471 -6.181 44.400 1.00 38.18 ? 72 VAL A C 1 ATOM 558 O O . VAL A 1 72 ? 21.927 -5.725 45.438 1.00 35.44 ? 72 VAL A O 1 ATOM 559 C CB . VAL A 1 72 ? 21.221 -8.100 43.313 1.00 39.76 ? 72 VAL A CB 1 ATOM 560 C CG1 . VAL A 1 72 ? 21.320 -9.574 42.971 1.00 43.04 ? 72 VAL A CG1 1 ATOM 561 C CG2 . VAL A 1 72 ? 19.970 -7.846 44.102 1.00 38.20 ? 72 VAL A CG2 1 ATOM 562 N N . PRO A 1 73 ? 23.065 -5.404 43.497 1.00 34.89 ? 73 PRO A N 1 ATOM 563 C CA . PRO A 1 73 ? 23.222 -3.982 43.756 1.00 35.13 ? 73 PRO A CA 1 ATOM 564 C C . PRO A 1 73 ? 21.911 -3.306 43.537 1.00 36.73 ? 73 PRO A C 1 ATOM 565 O O . PRO A 1 73 ? 21.112 -3.860 42.797 1.00 37.30 ? 73 PRO A O 1 ATOM 566 C CB . PRO A 1 73 ? 24.270 -3.583 42.735 1.00 34.24 ? 73 PRO A CB 1 ATOM 567 C CG . PRO A 1 73 ? 24.015 -4.503 41.572 1.00 36.55 ? 73 PRO A CG 1 ATOM 568 C CD . PRO A 1 73 ? 23.627 -5.809 42.192 1.00 37.93 ? 73 PRO A CD 1 ATOM 569 N N . LEU A 1 74 ? 21.656 -2.174 44.215 1.00 34.77 ? 74 LEU A N 1 ATOM 570 C CA . LEU A 1 74 ? 20.443 -1.356 43.997 1.00 34.30 ? 74 LEU A CA 1 ATOM 571 C C . LEU A 1 74 ? 20.364 -0.920 42.540 1.00 31.65 ? 74 LEU A C 1 ATOM 572 O O . LEU A 1 74 ? 21.353 -0.604 41.921 1.00 29.19 ? 74 LEU A O 1 ATOM 573 C CB . LEU A 1 74 ? 20.437 -0.123 44.884 1.00 37.21 ? 74 LEU A CB 1 ATOM 574 C CG . LEU A 1 74 ? 20.156 -0.393 46.368 1.00 40.43 ? 74 LEU A CG 1 ATOM 575 C CD1 . LEU A 1 74 ? 20.692 0.761 47.207 1.00 45.61 ? 74 LEU A CD1 1 ATOM 576 C CD2 . LEU A 1 74 ? 18.662 -0.558 46.594 1.00 43.65 ? 74 LEU A CD2 1 ATOM 577 N N . ALA A 1 75 ? 19.158 -0.932 42.008 1.00 34.03 ? 75 ALA A N 1 ATOM 578 C CA . ALA A 1 75 ? 18.916 -0.593 40.640 1.00 32.88 ? 75 ALA A CA 1 ATOM 579 C C . ALA A 1 75 ? 19.344 0.880 40.357 1.00 37.17 ? 75 ALA A C 1 ATOM 580 O O . ALA A 1 75 ? 20.014 1.175 39.370 1.00 39.51 ? 75 ALA A O 1 ATOM 581 C CB . ALA A 1 75 ? 17.460 -0.822 40.357 1.00 30.49 ? 75 ALA A CB 1 ATOM 582 N N . ARG A 1 76 ? 18.987 1.787 41.251 1.00 37.32 ? 76 ARG A N 1 ATOM 583 C CA . ARG A 1 76 ? 19.326 3.209 41.088 1.00 41.03 ? 76 ARG A CA 1 ATOM 584 C C . ARG A 1 76 ? 20.827 3.473 41.115 1.00 39.89 ? 76 ARG A C 1 ATOM 585 O O . ARG A 1 76 ? 21.334 4.391 40.421 1.00 37.99 ? 76 ARG A O 1 ATOM 586 C CB . ARG A 1 76 ? 18.595 4.040 42.147 1.00 41.82 ? 76 ARG A CB 1 ATOM 587 C CG . ARG A 1 76 ? 18.961 5.517 42.139 1.00 44.72 ? 76 ARG A CG 1 ATOM 588 C CD . ARG A 1 76 ? 18.593 6.296 40.859 1.00 46.45 ? 76 ARG A CD 1 ATOM 589 N NE . ARG A 1 76 ? 18.852 7.736 41.048 1.00 43.57 ? 76 ARG A NE 1 ATOM 590 C CZ . ARG A 1 76 ? 18.683 8.688 40.121 1.00 47.50 ? 76 ARG A CZ 1 ATOM 591 N NH1 . ARG A 1 76 ? 18.265 8.392 38.890 1.00 40.79 ? 76 ARG A NH1 1 ATOM 592 N NH2 . ARG A 1 76 ? 18.928 9.964 40.425 1.00 45.74 ? 76 ARG A NH2 1 ATOM 593 N N . GLU A 1 77 ? 21.526 2.665 41.910 1.00 36.47 ? 77 GLU A N 1 ATOM 594 C CA . GLU A 1 77 ? 22.960 2.734 41.988 1.00 38.76 ? 77 GLU A CA 1 ATOM 595 C C . GLU A 1 77 ? 23.622 2.229 40.740 1.00 37.90 ? 77 GLU A C 1 ATOM 596 O O . GLU A 1 77 ? 24.696 2.751 40.373 1.00 36.70 ? 77 GLU A O 1 ATOM 597 C CB . GLU A 1 77 ? 23.510 1.936 43.178 1.00 45.27 ? 77 GLU A CB 1 ATOM 598 C CG . GLU A 1 77 ? 25.032 1.935 43.255 1.00 47.04 ? 77 GLU A CG 1 ATOM 599 C CD . GLU A 1 77 ? 25.587 1.593 44.644 1.00 55.01 ? 77 GLU A CD 1 ATOM 600 O OE1 . GLU A 1 77 ? 24.823 1.249 45.581 1.00 47.76 ? 77 GLU A OE1 1 ATOM 601 O OE2 . GLU A 1 77 ? 26.824 1.663 44.778 1.00 57.45 ? 77 GLU A OE2 1 ATOM 602 N N . VAL A 1 78 ? 23.061 1.186 40.105 1.00 33.34 ? 78 VAL A N 1 ATOM 603 C CA . VAL A 1 78 ? 23.591 0.797 38.779 1.00 33.44 ? 78 VAL A CA 1 ATOM 604 C C . VAL A 1 78 ? 23.319 1.942 37.796 1.00 33.21 ? 78 VAL A C 1 ATOM 605 O O . VAL A 1 78 ? 24.178 2.302 37.035 1.00 38.56 ? 78 VAL A O 1 ATOM 606 C CB . VAL A 1 78 ? 23.005 -0.540 38.208 1.00 34.43 ? 78 VAL A CB 1 ATOM 607 C CG1 . VAL A 1 78 ? 23.522 -0.809 36.792 1.00 36.52 ? 78 VAL A CG1 1 ATOM 608 C CG2 . VAL A 1 78 ? 23.357 -1.717 39.098 1.00 29.64 ? 78 VAL A CG2 1 ATOM 609 N N . SER A 1 79 ? 22.121 2.509 37.843 1.00 30.74 ? 79 SER A N 1 ATOM 610 C CA . SER A 1 79 ? 21.790 3.640 36.996 1.00 35.65 ? 79 SER A CA 1 ATOM 611 C C . SER A 1 79 ? 22.824 4.767 37.119 1.00 37.82 ? 79 SER A C 1 ATOM 612 O O . SER A 1 79 ? 23.489 5.124 36.114 1.00 36.52 ? 79 SER A O 1 ATOM 613 C CB . SER A 1 79 ? 20.396 4.176 37.291 1.00 30.98 ? 79 SER A CB 1 ATOM 614 O OG . SER A 1 79 ? 20.102 5.228 36.360 1.00 34.99 ? 79 SER A OG 1 ATOM 615 N N . ASN A 1 80 ? 23.005 5.262 38.353 1.00 33.56 ? 80 ASN A N 1 ATOM 616 C CA . ASN A 1 80 ? 23.943 6.369 38.613 1.00 35.53 ? 80 ASN A CA 1 ATOM 617 C C . ASN A 1 80 ? 25.319 6.091 38.138 1.00 35.42 ? 80 ASN A C 1 ATOM 618 O O . ASN A 1 80 ? 25.939 6.954 37.550 1.00 35.76 ? 80 ASN A O 1 ATOM 619 C CB . ASN A 1 80 ? 23.999 6.762 40.116 1.00 40.30 ? 80 ASN A CB 1 ATOM 620 C CG . ASN A 1 80 ? 22.657 7.236 40.626 1.00 37.10 ? 80 ASN A CG 1 ATOM 621 O OD1 . ASN A 1 80 ? 21.797 7.490 39.832 1.00 39.19 ? 80 ASN A OD1 1 ATOM 622 N ND2 . ASN A 1 80 ? 22.436 7.228 41.945 1.00 43.04 ? 80 ASN A ND2 1 ATOM 623 N N . LYS A 1 81 ? 25.812 4.881 38.362 1.00 34.70 ? 81 LYS A N 1 ATOM 624 C CA . LYS A 1 81 ? 27.218 4.624 38.114 1.00 31.70 ? 81 LYS A CA 1 ATOM 625 C C . LYS A 1 81 ? 27.506 4.166 36.718 1.00 31.36 ? 81 LYS A C 1 ATOM 626 O O . LYS A 1 81 ? 28.613 4.312 36.212 1.00 30.09 ? 81 LYS A O 1 ATOM 627 C CB . LYS A 1 81 ? 27.759 3.609 39.135 1.00 36.21 ? 81 LYS A CB 1 ATOM 628 C CG . LYS A 1 81 ? 28.041 4.209 40.523 1.00 40.92 ? 81 LYS A CG 1 ATOM 629 C CD . LYS A 1 81 ? 28.557 3.106 41.474 1.00 44.52 ? 81 LYS A CD 1 ATOM 630 C CE . LYS A 1 81 ? 28.889 3.581 42.895 1.00 49.28 ? 81 LYS A CE 1 ATOM 631 N NZ . LYS A 1 81 ? 28.708 2.438 43.860 1.00 46.70 ? 81 LYS A NZ 1 ATOM 632 N N . ILE A 1 82 ? 26.532 3.595 36.053 1.00 32.53 ? 82 ILE A N 1 ATOM 633 C CA . ILE A 1 82 ? 26.861 3.059 34.784 1.00 36.58 ? 82 ILE A CA 1 ATOM 634 C C . ILE A 1 82 ? 26.118 3.745 33.649 1.00 33.19 ? 82 ILE A C 1 ATOM 635 O O . ILE A 1 82 ? 26.664 3.857 32.551 1.00 29.63 ? 82 ILE A O 1 ATOM 636 C CB . ILE A 1 82 ? 26.574 1.556 34.797 1.00 35.53 ? 82 ILE A CB 1 ATOM 637 C CG1 . ILE A 1 82 ? 27.444 0.920 35.892 1.00 46.20 ? 82 ILE A CG1 1 ATOM 638 C CG2 . ILE A 1 82 ? 26.825 0.973 33.422 1.00 34.23 ? 82 ILE A CG2 1 ATOM 639 C CD1 . ILE A 1 82 ? 27.718 -0.560 35.782 1.00 43.13 ? 82 ILE A CD1 1 ATOM 640 N N . VAL A 1 83 ? 24.870 4.124 33.898 1.00 32.08 ? 83 VAL A N 1 ATOM 641 C CA . VAL A 1 83 ? 23.916 4.386 32.829 1.00 32.25 ? 83 VAL A CA 1 ATOM 642 C C . VAL A 1 83 ? 23.883 5.862 32.429 1.00 33.90 ? 83 VAL A C 1 ATOM 643 O O . VAL A 1 83 ? 23.544 6.223 31.288 1.00 31.36 ? 83 VAL A O 1 ATOM 644 C CB . VAL A 1 83 ? 22.543 3.865 33.268 1.00 35.23 ? 83 VAL A CB 1 ATOM 645 C CG1 . VAL A 1 83 ? 21.471 4.113 32.208 1.00 38.02 ? 83 VAL A CG1 1 ATOM 646 C CG2 . VAL A 1 83 ? 22.666 2.357 33.588 1.00 33.95 ? 83 VAL A CG2 1 ATOM 647 N N . GLY A 1 84 ? 24.262 6.700 33.382 1.00 32.34 ? 84 GLY A N 1 ATOM 648 C CA . GLY A 1 84 ? 24.066 8.119 33.282 1.00 32.83 ? 84 GLY A CA 1 ATOM 649 C C . GLY A 1 84 ? 25.254 8.807 32.659 1.00 30.76 ? 84 GLY A C 1 ATOM 650 O O . GLY A 1 84 ? 26.359 8.273 32.622 1.00 28.32 ? 84 GLY A O 1 ATOM 651 N N . TYR A 1 85 ? 25.002 10.001 32.153 1.00 36.17 ? 85 TYR A N 1 ATOM 652 C CA . TYR A 1 85 ? 26.068 10.852 31.609 1.00 39.03 ? 85 TYR A CA 1 ATOM 653 C C . TYR A 1 85 ? 25.570 12.309 31.533 1.00 42.87 ? 85 TYR A C 1 ATOM 654 O O . TYR A 1 85 ? 24.373 12.552 31.553 1.00 35.41 ? 85 TYR A O 1 ATOM 655 C CB . TYR A 1 85 ? 26.481 10.382 30.219 1.00 37.77 ? 85 TYR A CB 1 ATOM 656 C CG . TYR A 1 85 ? 25.370 10.541 29.229 1.00 35.67 ? 85 TYR A CG 1 ATOM 657 C CD1 . TYR A 1 85 ? 25.313 11.644 28.401 1.00 32.04 ? 85 TYR A CD1 1 ATOM 658 C CD2 . TYR A 1 85 ? 24.294 9.623 29.188 1.00 36.52 ? 85 TYR A CD2 1 ATOM 659 C CE1 . TYR A 1 85 ? 24.281 11.809 27.500 1.00 33.67 ? 85 TYR A CE1 1 ATOM 660 C CE2 . TYR A 1 85 ? 23.254 9.790 28.288 1.00 29.83 ? 85 TYR A CE2 1 ATOM 661 C CZ . TYR A 1 85 ? 23.256 10.883 27.438 1.00 34.65 ? 85 TYR A CZ 1 ATOM 662 O OH . TYR A 1 85 ? 22.226 11.106 26.553 1.00 33.30 ? 85 TYR A OH 1 ATOM 663 N N . LEU A 1 86 ? 26.505 13.252 31.378 1.00 42.67 ? 86 LEU A N 1 ATOM 664 C CA . LEU A 1 86 ? 26.196 14.667 31.487 1.00 41.94 ? 86 LEU A CA 1 ATOM 665 C C . LEU A 1 86 ? 26.082 15.347 30.149 1.00 36.13 ? 86 LEU A C 1 ATOM 666 O O . LEU A 1 86 ? 25.177 16.105 29.915 1.00 33.13 ? 86 LEU A O 1 ATOM 667 C CB . LEU A 1 86 ? 27.279 15.336 32.350 1.00 48.08 ? 86 LEU A CB 1 ATOM 668 C CG . LEU A 1 86 ? 27.164 14.896 33.823 1.00 51.38 ? 86 LEU A CG 1 ATOM 669 C CD1 . LEU A 1 86 ? 28.066 15.733 34.725 1.00 56.45 ? 86 LEU A CD1 1 ATOM 670 C CD2 . LEU A 1 86 ? 25.716 15.030 34.281 1.00 50.23 ? 86 LEU A CD2 1 ATOM 671 N N . ASP A 1 87 ? 27.001 15.027 29.258 1.00 37.48 ? 87 ASP A N 1 ATOM 672 C CA . ASP A 1 87 ? 27.254 15.823 28.054 1.00 36.77 ? 87 ASP A CA 1 ATOM 673 C C . ASP A 1 87 ? 26.471 15.194 26.940 1.00 35.04 ? 87 ASP A C 1 ATOM 674 O O . ASP A 1 87 ? 26.786 14.115 26.495 1.00 31.58 ? 87 ASP A O 1 ATOM 675 C CB . ASP A 1 87 ? 28.768 15.786 27.737 1.00 39.04 ? 87 ASP A CB 1 ATOM 676 C CG . ASP A 1 87 ? 29.167 16.794 26.707 1.00 42.25 ? 87 ASP A CG 1 ATOM 677 O OD1 . ASP A 1 87 ? 28.269 17.428 26.125 1.00 45.24 ? 87 ASP A OD1 1 ATOM 678 O OD2 . ASP A 1 87 ? 30.385 16.940 26.459 1.00 46.22 ? 87 ASP A OD2 1 ATOM 679 N N . GLU A 1 88 ? 25.450 15.893 26.478 1.00 37.41 ? 88 GLU A N 1 ATOM 680 C CA . GLU A 1 88 ? 24.681 15.444 25.338 1.00 39.68 ? 88 GLU A CA 1 ATOM 681 C C . GLU A 1 88 ? 25.339 15.746 23.983 1.00 42.34 ? 88 GLU A C 1 ATOM 682 O O . GLU A 1 88 ? 24.871 15.282 22.933 1.00 40.43 ? 88 GLU A O 1 ATOM 683 C CB . GLU A 1 88 ? 23.301 16.065 25.390 1.00 36.57 ? 88 GLU A CB 1 ATOM 684 C CG . GLU A 1 88 ? 22.515 15.667 26.630 1.00 34.39 ? 88 GLU A CG 1 ATOM 685 C CD . GLU A 1 88 ? 21.957 14.238 26.548 1.00 35.29 ? 88 GLU A CD 1 ATOM 686 O OE1 . GLU A 1 88 ? 22.147 13.524 25.513 1.00 32.37 ? 88 GLU A OE1 1 ATOM 687 O OE2 . GLU A 1 88 ? 21.342 13.820 27.530 1.00 33.85 ? 88 GLU A OE2 1 ATOM 688 N N . ASP A 1 89 ? 26.412 16.523 23.980 1.00 47.41 ? 89 ASP A N 1 ATOM 689 C CA . ASP A 1 89 ? 27.166 16.717 22.723 1.00 45.16 ? 89 ASP A CA 1 ATOM 690 C C . ASP A 1 89 ? 27.728 15.382 22.264 1.00 43.48 ? 89 ASP A C 1 ATOM 691 O O . ASP A 1 89 ? 28.154 14.582 23.081 1.00 42.66 ? 89 ASP A O 1 ATOM 692 C CB . ASP A 1 89 ? 28.313 17.701 22.922 1.00 47.21 ? 89 ASP A CB 1 ATOM 693 C CG . ASP A 1 89 ? 29.126 17.903 21.651 1.00 51.39 ? 89 ASP A CG 1 ATOM 694 O OD1 . ASP A 1 89 ? 28.537 18.248 20.614 1.00 47.67 ? 89 ASP A OD1 1 ATOM 695 O OD2 . ASP A 1 89 ? 30.351 17.692 21.694 1.00 57.44 ? 89 ASP A OD2 1 ATOM 696 N N . GLY A 1 90 ? 27.694 15.126 20.960 1.00 46.83 ? 90 GLY A N 1 ATOM 697 C CA . GLY A 1 90 ? 28.385 13.973 20.383 1.00 41.97 ? 90 GLY A CA 1 ATOM 698 C C . GLY A 1 90 ? 27.601 12.669 20.410 1.00 44.89 ? 90 GLY A C 1 ATOM 699 O O . GLY A 1 90 ? 28.073 11.654 19.891 1.00 38.52 ? 90 GLY A O 1 ATOM 700 N N . VAL A 1 91 ? 26.416 12.699 21.012 1.00 38.23 ? 91 VAL A N 1 ATOM 701 C CA . VAL A 1 91 ? 25.580 11.509 21.121 1.00 36.13 ? 91 VAL A CA 1 ATOM 702 C C . VAL A 1 91 ? 24.389 11.567 20.167 1.00 35.94 ? 91 VAL A C 1 ATOM 703 O O . VAL A 1 91 ? 23.234 11.564 20.595 1.00 32.65 ? 91 VAL A O 1 ATOM 704 C CB . VAL A 1 91 ? 25.072 11.307 22.562 1.00 34.51 ? 91 VAL A CB 1 ATOM 705 C CG1 . VAL A 1 91 ? 26.244 11.173 23.523 1.00 33.33 ? 91 VAL A CG1 1 ATOM 706 C CG2 . VAL A 1 91 ? 24.167 12.459 22.971 1.00 41.93 ? 91 VAL A CG2 1 ATOM 707 N N . LEU A 1 92 ? 24.680 11.619 18.872 1.00 37.54 ? 92 LEU A N 1 ATOM 708 C CA . LEU A 1 92 ? 23.640 11.652 17.850 1.00 37.76 ? 92 LEU A CA 1 ATOM 709 C C . LEU A 1 92 ? 23.960 10.661 16.737 1.00 34.93 ? 92 LEU A C 1 ATOM 710 O O . LEU A 1 92 ? 24.899 10.862 15.967 1.00 34.87 ? 92 LEU A O 1 ATOM 711 C CB . LEU A 1 92 ? 23.496 13.062 17.276 1.00 41.15 ? 92 LEU A CB 1 ATOM 712 C CG . LEU A 1 92 ? 22.444 13.958 17.934 1.00 44.76 ? 92 LEU A CG 1 ATOM 713 C CD1 . LEU A 1 92 ? 21.979 15.039 16.970 1.00 45.25 ? 92 LEU A CD1 1 ATOM 714 C CD2 . LEU A 1 92 ? 21.267 13.131 18.427 1.00 46.27 ? 92 LEU A CD2 1 ATOM 715 N N . ASP A 1 93 ? 23.178 9.589 16.659 1.00 32.98 ? 93 ASP A N 1 ATOM 716 C CA . ASP A 1 93 ? 23.417 8.545 15.664 1.00 36.36 ? 93 ASP A CA 1 ATOM 717 C C . ASP A 1 93 ? 23.460 9.194 14.315 1.00 33.64 ? 93 ASP A C 1 ATOM 718 O O . ASP A 1 93 ? 22.434 9.599 13.778 1.00 30.99 ? 93 ASP A O 1 ATOM 719 C CB . ASP A 1 93 ? 22.267 7.527 15.716 1.00 36.27 ? 93 ASP A CB 1 ATOM 720 C CG . ASP A 1 93 ? 22.548 6.259 14.938 1.00 41.85 ? 93 ASP A CG 1 ATOM 721 O OD1 . ASP A 1 93 ? 23.055 6.298 13.792 1.00 41.42 ? 93 ASP A OD1 1 ATOM 722 O OD2 . ASP A 1 93 ? 22.135 5.192 15.454 1.00 48.12 ? 93 ASP A OD2 1 ATOM 723 N N . GLN A 1 94 ? 24.663 9.277 13.770 1.00 36.19 ? 94 GLN A N 1 ATOM 724 C CA . GLN A 1 94 ? 24.894 9.801 12.438 1.00 41.26 ? 94 GLN A CA 1 ATOM 725 C C . GLN A 1 94 ? 24.113 9.111 11.357 1.00 42.89 ? 94 GLN A C 1 ATOM 726 O O . GLN A 1 94 ? 23.802 9.748 10.359 1.00 45.89 ? 94 GLN A O 1 ATOM 727 C CB . GLN A 1 94 ? 26.383 9.757 12.088 1.00 41.78 ? 94 GLN A CB 1 ATOM 728 C CG . GLN A 1 94 ? 27.214 10.646 12.981 1.00 47.27 ? 94 GLN A CG 1 ATOM 729 C CD . GLN A 1 94 ? 26.500 11.963 13.316 1.00 50.37 ? 94 GLN A CD 1 ATOM 730 O OE1 . GLN A 1 94 ? 26.030 12.153 14.448 1.00 49.70 ? 94 GLN A OE1 1 ATOM 731 N NE2 . GLN A 1 94 ? 26.379 12.859 12.318 1.00 48.55 ? 94 GLN A NE2 1 ATOM 732 N N . ASN A 1 95 ? 23.759 7.835 11.517 1.00 40.04 ? 95 ASN A N 1 ATOM 733 C CA . ASN A 1 95 ? 23.028 7.184 10.417 1.00 39.55 ? 95 ASN A CA 1 ATOM 734 C C . ASN A 1 95 ? 21.670 6.580 10.787 1.00 38.94 ? 95 ASN A C 1 ATOM 735 O O . ASN A 1 95 ? 21.188 5.584 10.211 1.00 38.62 ? 95 ASN A O 1 ATOM 736 C CB . ASN A 1 95 ? 23.945 6.267 9.619 1.00 44.44 ? 95 ASN A CB 1 ATOM 737 C CG . ASN A 1 95 ? 23.338 5.886 8.276 1.00 52.71 ? 95 ASN A CG 1 ATOM 738 O OD1 . ASN A 1 95 ? 22.842 6.729 7.517 1.00 54.52 ? 95 ASN A OD1 1 ATOM 739 N ND2 . ASN A 1 95 ? 23.350 4.592 7.992 1.00 63.72 ? 95 ASN A ND2 1 ATOM 740 N N . ARG A 1 96 ? 20.996 7.215 11.720 1.00 36.79 ? 96 ARG A N 1 ATOM 741 C CA . ARG A 1 96 ? 19.616 6.811 12.031 1.00 34.59 ? 96 ARG A CA 1 ATOM 742 C C . ARG A 1 96 ? 18.722 7.981 12.339 1.00 34.66 ? 96 ARG A C 1 ATOM 743 O O . ARG A 1 96 ? 19.029 8.758 13.248 1.00 35.14 ? 96 ARG A O 1 ATOM 744 C CB . ARG A 1 96 ? 19.614 5.884 13.261 1.00 38.72 ? 96 ARG A CB 1 ATOM 745 C CG . ARG A 1 96 ? 20.238 4.524 13.052 1.00 36.86 ? 96 ARG A CG 1 ATOM 746 C CD . ARG A 1 96 ? 19.407 3.583 12.192 1.00 39.54 ? 96 ARG A CD 1 ATOM 747 N NE . ARG A 1 96 ? 20.063 2.282 12.105 1.00 35.34 ? 96 ARG A NE 1 ATOM 748 C CZ . ARG A 1 96 ? 21.105 1.994 11.327 1.00 38.92 ? 96 ARG A CZ 1 ATOM 749 N NH1 . ARG A 1 96 ? 21.644 2.877 10.455 1.00 41.57 ? 96 ARG A NH1 1 ATOM 750 N NH2 . ARG A 1 96 ? 21.614 0.783 11.412 1.00 39.31 ? 96 ARG A NH2 1 ATOM 751 N N . SER A 1 97 ? 17.598 8.081 11.631 1.00 35.24 ? 97 SER A N 1 ATOM 752 C CA . SER A 1 97 ? 16.644 9.146 11.851 1.00 35.84 ? 97 SER A CA 1 ATOM 753 C C . SER A 1 97 ? 16.001 8.932 13.202 1.00 37.83 ? 97 SER A C 1 ATOM 754 O O . SER A 1 97 ? 16.072 7.823 13.771 1.00 34.08 ? 97 SER A O 1 ATOM 755 C CB . SER A 1 97 ? 15.549 9.111 10.806 1.00 37.44 ? 97 SER A CB 1 ATOM 756 O OG . SER A 1 97 ? 14.488 8.280 11.216 1.00 38.06 ? 97 SER A OG 1 ATOM 757 N N . LEU A 1 98 ? 15.325 9.961 13.683 1.00 34.20 ? 98 LEU A N 1 ATOM 758 C CA . LEU A 1 98 ? 14.623 9.860 14.965 1.00 36.40 ? 98 LEU A CA 1 ATOM 759 C C . LEU A 1 98 ? 13.401 8.919 14.823 1.00 37.71 ? 98 LEU A C 1 ATOM 760 O O . LEU A 1 98 ? 12.945 8.329 15.811 1.00 34.16 ? 98 LEU A O 1 ATOM 761 C CB . LEU A 1 98 ? 14.228 11.231 15.482 1.00 34.85 ? 98 LEU A CB 1 ATOM 762 C CG . LEU A 1 98 ? 13.483 11.241 16.848 1.00 35.12 ? 98 LEU A CG 1 ATOM 763 C CD1 . LEU A 1 98 ? 14.413 10.738 17.932 1.00 37.73 ? 98 LEU A CD1 1 ATOM 764 C CD2 . LEU A 1 98 ? 13.021 12.650 17.178 1.00 39.10 ? 98 LEU A CD2 1 ATOM 765 N N . LEU A 1 99 ? 12.897 8.784 13.586 1.00 36.40 ? 99 LEU A N 1 ATOM 766 C CA . LEU A 1 99 ? 11.871 7.820 13.286 1.00 36.33 ? 99 LEU A CA 1 ATOM 767 C C . LEU A 1 99 ? 12.279 6.422 13.714 1.00 33.01 ? 99 LEU A C 1 ATOM 768 O O . LEU A 1 99 ? 11.439 5.694 14.130 1.00 41.79 ? 99 LEU A O 1 ATOM 769 C CB . LEU A 1 99 ? 11.520 7.817 11.812 1.00 39.74 ? 99 LEU A CB 1 ATOM 770 C CG . LEU A 1 99 ? 10.323 6.948 11.393 1.00 40.99 ? 99 LEU A CG 1 ATOM 771 C CD1 . LEU A 1 99 ? 9.072 7.297 12.188 1.00 43.06 ? 99 LEU A CD1 1 ATOM 772 C CD2 . LEU A 1 99 ? 10.068 7.080 9.906 1.00 47.62 ? 99 LEU A CD2 1 ATOM 773 N N . PHE A 1 100 ? 13.570 6.109 13.641 1.00 36.13 ? 100 PHE A N 1 ATOM 774 C CA . PHE A 1 100 ? 14.136 4.795 13.972 1.00 35.52 ? 100 PHE A CA 1 ATOM 775 C C . PHE A 1 100 ? 13.872 4.492 15.408 1.00 35.78 ? 100 PHE A C 1 ATOM 776 O O . PHE A 1 100 ? 13.401 3.427 15.720 1.00 32.03 ? 100 PHE A O 1 ATOM 777 C CB . PHE A 1 100 ? 15.641 4.739 13.647 1.00 37.39 ? 100 PHE A CB 1 ATOM 778 C CG . PHE A 1 100 ? 16.367 3.493 14.155 1.00 37.66 ? 100 PHE A CG 1 ATOM 779 C CD1 . PHE A 1 100 ? 16.088 2.237 13.628 1.00 37.50 ? 100 PHE A CD1 1 ATOM 780 C CD2 . PHE A 1 100 ? 17.386 3.601 15.091 1.00 36.90 ? 100 PHE A CD2 1 ATOM 781 C CE1 . PHE A 1 100 ? 16.756 1.101 14.070 1.00 35.16 ? 100 PHE A CE1 1 ATOM 782 C CE2 . PHE A 1 100 ? 18.076 2.483 15.546 1.00 38.29 ? 100 PHE A CE2 1 ATOM 783 C CZ . PHE A 1 100 ? 17.753 1.228 15.037 1.00 42.50 ? 100 PHE A CZ 1 ATOM 784 N N . MET A 1 101 ? 14.104 5.460 16.287 1.00 37.03 ? 101 MET A N 1 ATOM 785 C CA . MET A 1 101 ? 13.756 5.266 17.694 1.00 29.98 ? 101 MET A CA 1 ATOM 786 C C . MET A 1 101 ? 12.261 5.079 17.778 1.00 31.49 ? 101 MET A C 1 ATOM 787 O O . MET A 1 101 ? 11.776 4.084 18.320 1.00 28.53 ? 101 MET A O 1 ATOM 788 C CB . MET A 1 101 ? 14.224 6.463 18.519 1.00 29.19 ? 101 MET A CB 1 ATOM 789 C CG . MET A 1 101 ? 13.862 6.449 19.975 1.00 26.76 ? 101 MET A CG 1 ATOM 790 S SD . MET A 1 101 ? 12.145 6.782 20.360 1.00 27.92 ? 101 MET A SD 1 ATOM 791 C CE . MET A 1 101 ? 11.900 8.464 19.739 1.00 27.33 ? 101 MET A CE 1 ATOM 792 N N . GLN A 1 102 ? 11.506 5.940 17.112 1.00 33.63 ? 102 GLN A N 1 ATOM 793 C CA . GLN A 1 102 ? 10.056 5.936 17.316 1.00 33.01 ? 102 GLN A CA 1 ATOM 794 C C . GLN A 1 102 ? 9.283 4.692 16.819 1.00 33.74 ? 102 GLN A C 1 ATOM 795 O O . GLN A 1 102 ? 8.343 4.232 17.499 1.00 32.97 ? 102 GLN A O 1 ATOM 796 C CB . GLN A 1 102 ? 9.460 7.230 16.761 1.00 33.36 ? 102 GLN A CB 1 ATOM 797 C CG . GLN A 1 102 ? 8.069 7.515 17.206 1.00 32.82 ? 102 GLN A CG 1 ATOM 798 C CD . GLN A 1 102 ? 7.984 7.557 18.714 1.00 36.80 ? 102 GLN A CD 1 ATOM 799 O OE1 . GLN A 1 102 ? 8.523 8.454 19.333 1.00 34.97 ? 102 GLN A OE1 1 ATOM 800 N NE2 . GLN A 1 102 ? 7.350 6.550 19.309 1.00 38.28 ? 102 GLN A NE2 1 ATOM 801 N N . TRP A 1 103 ? 9.705 4.111 15.696 1.00 30.34 ? 103 TRP A N 1 ATOM 802 C CA . TRP A 1 103 ? 9.086 2.894 15.183 1.00 33.30 ? 103 TRP A CA 1 ATOM 803 C C . TRP A 1 103 ? 9.286 1.716 16.167 1.00 32.14 ? 103 TRP A C 1 ATOM 804 O O . TRP A 1 103 ? 8.383 0.903 16.427 1.00 33.75 ? 103 TRP A O 1 ATOM 805 C CB . TRP A 1 103 ? 9.690 2.490 13.805 1.00 31.05 ? 103 TRP A CB 1 ATOM 806 C CG . TRP A 1 103 ? 8.886 1.408 13.103 1.00 33.98 ? 103 TRP A CG 1 ATOM 807 C CD1 . TRP A 1 103 ? 9.287 0.140 12.833 1.00 36.14 ? 103 TRP A CD1 1 ATOM 808 C CD2 . TRP A 1 103 ? 7.537 1.500 12.644 1.00 34.53 ? 103 TRP A CD2 1 ATOM 809 N NE1 . TRP A 1 103 ? 8.271 -0.565 12.245 1.00 39.55 ? 103 TRP A NE1 1 ATOM 810 C CE2 . TRP A 1 103 ? 7.187 0.249 12.119 1.00 35.16 ? 103 TRP A CE2 1 ATOM 811 C CE3 . TRP A 1 103 ? 6.578 2.514 12.659 1.00 38.01 ? 103 TRP A CE3 1 ATOM 812 C CZ2 . TRP A 1 103 ? 5.933 -0.016 11.586 1.00 39.09 ? 103 TRP A CZ2 1 ATOM 813 C CZ3 . TRP A 1 103 ? 5.329 2.266 12.132 1.00 35.56 ? 103 TRP A CZ3 1 ATOM 814 C CH2 . TRP A 1 103 ? 5.017 1.006 11.586 1.00 41.30 ? 103 TRP A CH2 1 ATOM 815 N N . GLY A 1 104 ? 10.486 1.637 16.707 1.00 29.21 ? 104 GLY A N 1 ATOM 816 C CA . GLY A 1 104 ? 10.763 0.616 17.649 1.00 30.24 ? 104 GLY A CA 1 ATOM 817 C C . GLY A 1 104 ? 9.742 0.650 18.761 1.00 28.62 ? 104 GLY A C 1 ATOM 818 O O . GLY A 1 104 ? 9.326 -0.417 19.220 1.00 26.76 ? 104 GLY A O 1 ATOM 819 N N . GLN A 1 105 ? 9.358 1.846 19.214 1.00 27.26 ? 105 GLN A N 1 ATOM 820 C CA . GLN A 1 105 ? 8.487 1.967 20.406 1.00 31.30 ? 105 GLN A CA 1 ATOM 821 C C . GLN A 1 105 ? 7.086 1.561 20.013 1.00 28.56 ? 105 GLN A C 1 ATOM 822 O O . GLN A 1 105 ? 6.333 0.948 20.801 1.00 30.56 ? 105 GLN A O 1 ATOM 823 C CB . GLN A 1 105 ? 8.525 3.367 21.012 1.00 30.17 ? 105 GLN A CB 1 ATOM 824 C CG . GLN A 1 105 ? 7.640 3.526 22.231 1.00 35.51 ? 105 GLN A CG 1 ATOM 825 C CD . GLN A 1 105 ? 7.611 4.952 22.745 1.00 34.20 ? 105 GLN A CD 1 ATOM 826 O OE1 . GLN A 1 105 ? 7.609 5.895 21.977 1.00 36.33 ? 105 GLN A OE1 1 ATOM 827 N NE2 . GLN A 1 105 ? 7.581 5.105 24.046 1.00 35.85 ? 105 GLN A NE2 1 ATOM 828 N N . ILE A 1 106 ? 6.782 1.853 18.763 1.00 32.25 ? 106 ILE A N 1 ATOM 829 C CA . ILE A 1 106 ? 5.538 1.421 18.114 1.00 28.39 ? 106 ILE A CA 1 ATOM 830 C C . ILE A 1 106 ? 5.462 -0.068 17.981 1.00 30.99 ? 106 ILE A C 1 ATOM 831 O O . ILE A 1 106 ? 4.497 -0.678 18.437 1.00 28.68 ? 106 ILE A O 1 ATOM 832 C CB . ILE A 1 106 ? 5.444 2.027 16.734 1.00 27.95 ? 106 ILE A CB 1 ATOM 833 C CG1 . ILE A 1 106 ? 5.088 3.508 16.850 1.00 26.55 ? 106 ILE A CG1 1 ATOM 834 C CG2 . ILE A 1 106 ? 4.482 1.260 15.817 1.00 30.40 ? 106 ILE A CG2 1 ATOM 835 C CD1 . ILE A 1 106 ? 3.648 3.748 17.228 1.00 28.55 ? 106 ILE A CD1 1 ATOM 836 N N . VAL A 1 107 ? 6.474 -0.661 17.365 1.00 32.07 ? 107 VAL A N 1 ATOM 837 C CA . VAL A 1 107 ? 6.507 -2.112 17.339 1.00 34.08 ? 107 VAL A CA 1 ATOM 838 C C . VAL A 1 107 ? 6.442 -2.700 18.754 1.00 30.90 ? 107 VAL A C 1 ATOM 839 O O . VAL A 1 107 ? 5.624 -3.580 18.993 1.00 36.39 ? 107 VAL A O 1 ATOM 840 C CB . VAL A 1 107 ? 7.686 -2.677 16.560 1.00 32.51 ? 107 VAL A CB 1 ATOM 841 C CG1 . VAL A 1 107 ? 7.646 -4.188 16.533 1.00 34.09 ? 107 VAL A CG1 1 ATOM 842 C CG2 . VAL A 1 107 ? 7.677 -2.203 15.108 1.00 36.03 ? 107 VAL A CG2 1 ATOM 843 N N . ASP A 1 108 ? 7.272 -2.242 19.686 1.00 30.35 ? 108 ASP A N 1 ATOM 844 C CA . ASP A 1 108 ? 7.221 -2.771 21.078 1.00 27.52 ? 108 ASP A CA 1 ATOM 845 C C . ASP A 1 108 ? 5.788 -2.751 21.533 1.00 30.60 ? 108 ASP A C 1 ATOM 846 O O . ASP A 1 108 ? 5.268 -3.747 22.095 1.00 31.50 ? 108 ASP A O 1 ATOM 847 C CB . ASP A 1 108 ? 8.089 -1.956 22.041 1.00 29.39 ? 108 ASP A CB 1 ATOM 848 C CG . ASP A 1 108 ? 8.102 -2.515 23.435 1.00 30.84 ? 108 ASP A CG 1 ATOM 849 O OD1 . ASP A 1 108 ? 7.069 -2.395 24.110 1.00 32.44 ? 108 ASP A OD1 1 ATOM 850 O OD2 . ASP A 1 108 ? 9.165 -2.981 23.932 1.00 34.95 ? 108 ASP A OD2 1 ATOM 851 N N . HIS A 1 109 ? 5.082 -1.672 21.196 1.00 26.49 ? 109 HIS A N 1 ATOM 852 C CA . HIS A 1 109 ? 3.807 -1.454 21.849 1.00 32.37 ? 109 HIS A CA 1 ATOM 853 C C . HIS A 1 109 ? 2.758 -2.383 21.267 1.00 32.11 ? 109 HIS A C 1 ATOM 854 O O . HIS A 1 109 ? 1.869 -2.886 21.988 1.00 32.53 ? 109 HIS A O 1 ATOM 855 C CB . HIS A 1 109 ? 3.428 0.024 21.838 1.00 33.97 ? 109 HIS A CB 1 ATOM 856 C CG . HIS A 1 109 ? 4.069 0.817 22.935 1.00 38.81 ? 109 HIS A CG 1 ATOM 857 N ND1 . HIS A 1 109 ? 3.800 2.151 23.150 1.00 37.36 ? 109 HIS A ND1 1 ATOM 858 C CD2 . HIS A 1 109 ? 4.964 0.459 23.890 1.00 41.96 ? 109 HIS A CD2 1 ATOM 859 C CE1 . HIS A 1 109 ? 4.497 2.579 24.182 1.00 36.42 ? 109 HIS A CE1 1 ATOM 860 N NE2 . HIS A 1 109 ? 5.219 1.577 24.645 1.00 43.75 ? 109 HIS A NE2 1 ATOM 861 N N . ASP A 1 110 ? 2.922 -2.699 20.000 1.00 31.17 ? 110 ASP A N 1 ATOM 862 C CA . ASP A 1 110 ? 2.074 -3.715 19.327 1.00 36.61 ? 110 ASP A CA 1 ATOM 863 C C . ASP A 1 110 ? 2.234 -5.109 19.992 1.00 35.87 ? 110 ASP A C 1 ATOM 864 O O . ASP A 1 110 ? 1.297 -5.898 20.051 1.00 38.04 ? 110 ASP A O 1 ATOM 865 C CB . ASP A 1 110 ? 2.469 -3.762 17.829 1.00 36.72 ? 110 ASP A CB 1 ATOM 866 C CG . ASP A 1 110 ? 1.531 -4.637 16.965 1.00 46.17 ? 110 ASP A CG 1 ATOM 867 O OD1 . ASP A 1 110 ? 1.305 -5.837 17.271 1.00 46.37 ? 110 ASP A OD1 1 ATOM 868 O OD2 . ASP A 1 110 ? 1.073 -4.128 15.914 1.00 50.82 ? 110 ASP A OD2 1 ATOM 869 N N . LEU A 1 111 ? 3.419 -5.385 20.539 1.00 37.34 ? 111 LEU A N 1 ATOM 870 C CA . LEU A 1 111 ? 3.787 -6.731 20.864 1.00 32.28 ? 111 LEU A CA 1 ATOM 871 C C . LEU A 1 111 ? 3.629 -7.060 22.278 1.00 31.12 ? 111 LEU A C 1 ATOM 872 O O . LEU A 1 111 ? 3.206 -8.148 22.552 1.00 34.74 ? 111 LEU A O 1 ATOM 873 C CB . LEU A 1 111 ? 5.238 -7.016 20.444 1.00 29.03 ? 111 LEU A CB 1 ATOM 874 C CG . LEU A 1 111 ? 5.425 -6.891 18.964 1.00 28.71 ? 111 LEU A CG 1 ATOM 875 C CD1 . LEU A 1 111 ? 6.915 -7.105 18.691 1.00 28.96 ? 111 LEU A CD1 1 ATOM 876 C CD2 . LEU A 1 111 ? 4.599 -7.899 18.155 1.00 28.61 ? 111 LEU A CD2 1 ATOM 877 N N . ASP A 1 112 ? 3.970 -6.157 23.206 1.00 33.75 ? 112 ASP A N 1 ATOM 878 C CA . ASP A 1 112 ? 3.889 -6.500 24.619 1.00 31.13 ? 112 ASP A CA 1 ATOM 879 C C . ASP A 1 112 ? 3.541 -5.362 25.549 1.00 38.33 ? 112 ASP A C 1 ATOM 880 O O . ASP A 1 112 ? 3.962 -4.233 25.331 1.00 32.86 ? 112 ASP A O 1 ATOM 881 C CB . ASP A 1 112 ? 5.173 -7.170 25.149 1.00 30.27 ? 112 ASP A CB 1 ATOM 882 C CG . ASP A 1 112 ? 6.437 -6.518 24.648 1.00 31.79 ? 112 ASP A CG 1 ATOM 883 O OD1 . ASP A 1 112 ? 6.824 -6.814 23.506 1.00 31.73 ? 112 ASP A OD1 1 ATOM 884 O OD2 . ASP A 1 112 ? 7.015 -5.703 25.396 1.00 31.69 ? 112 ASP A OD2 1 ATOM 885 N N . PHE A 1 113 ? 2.770 -5.699 26.591 1.00 32.37 ? 113 PHE A N 1 ATOM 886 C CA . PHE A 1 113 ? 2.517 -4.800 27.690 1.00 39.24 ? 113 PHE A CA 1 ATOM 887 C C . PHE A 1 113 ? 2.232 -5.680 28.917 1.00 37.67 ? 113 PHE A C 1 ATOM 888 O O . PHE A 1 113 ? 1.342 -6.533 28.869 1.00 38.53 ? 113 PHE A O 1 ATOM 889 C CB . PHE A 1 113 ? 1.316 -3.919 27.389 1.00 43.76 ? 113 PHE A CB 1 ATOM 890 C CG . PHE A 1 113 ? 1.034 -2.847 28.422 1.00 43.45 ? 113 PHE A CG 1 ATOM 891 C CD1 . PHE A 1 113 ? 2.046 -2.231 29.134 1.00 46.87 ? 113 PHE A CD1 1 ATOM 892 C CD2 . PHE A 1 113 ? -0.282 -2.404 28.618 1.00 51.94 ? 113 PHE A CD2 1 ATOM 893 C CE1 . PHE A 1 113 ? 1.750 -1.231 30.050 1.00 53.84 ? 113 PHE A CE1 1 ATOM 894 C CE2 . PHE A 1 113 ? -0.581 -1.385 29.510 1.00 52.48 ? 113 PHE A CE2 1 ATOM 895 C CZ . PHE A 1 113 ? 0.437 -0.794 30.229 1.00 50.74 ? 113 PHE A CZ 1 ATOM 896 N N . ALA A 1 114 ? 3.028 -5.492 29.965 1.00 30.62 ? 114 ALA A N 1 ATOM 897 C CA . ALA A 1 114 ? 2.847 -6.145 31.253 1.00 36.05 ? 114 ALA A CA 1 ATOM 898 C C . ALA A 1 114 ? 2.469 -5.020 32.204 1.00 40.98 ? 114 ALA A C 1 ATOM 899 O O . ALA A 1 114 ? 3.371 -4.457 32.836 1.00 38.98 ? 114 ALA A O 1 ATOM 900 C CB . ALA A 1 114 ? 4.124 -6.827 31.721 1.00 34.94 ? 114 ALA A CB 1 ATOM 901 N N . PRO A 1 115 ? 1.164 -4.670 32.256 1.00 42.00 ? 115 PRO A N 1 ATOM 902 C CA . PRO A 1 115 ? 0.526 -3.754 33.219 1.00 55.25 ? 115 PRO A CA 1 ATOM 903 C C . PRO A 1 115 ? 0.892 -3.975 34.679 1.00 55.50 ? 115 PRO A C 1 ATOM 904 O O . PRO A 1 115 ? 0.853 -5.112 35.143 1.00 52.22 ? 115 PRO A O 1 ATOM 905 C CB . PRO A 1 115 ? -0.969 -4.083 33.063 1.00 51.61 ? 115 PRO A CB 1 ATOM 906 C CG . PRO A 1 115 ? -1.106 -4.405 31.630 1.00 52.68 ? 115 PRO A CG 1 ATOM 907 C CD . PRO A 1 115 ? 0.204 -5.046 31.203 1.00 53.14 ? 115 PRO A CD 1 ATOM 908 N N . GLU A 1 116 ? 1.242 -2.893 35.384 1.00 60.21 ? 116 GLU A N 1 ATOM 909 C CA . GLU A 1 116 ? 1.331 -2.908 36.854 1.00 63.20 ? 116 GLU A CA 1 ATOM 910 C C . GLU A 1 116 ? 0.126 -3.589 37.480 1.00 63.12 ? 116 GLU A C 1 ATOM 911 O O . GLU A 1 116 ? -0.983 -3.414 37.011 1.00 57.86 ? 116 GLU A O 1 ATOM 912 C CB . GLU A 1 116 ? 1.391 -1.493 37.413 1.00 64.01 ? 116 GLU A CB 1 ATOM 913 C CG . GLU A 1 116 ? 2.703 -0.793 37.124 1.00 68.31 ? 116 GLU A CG 1 ATOM 914 C CD . GLU A 1 116 ? 2.675 0.668 37.512 1.00 68.90 ? 116 GLU A CD 1 ATOM 915 O OE1 . GLU A 1 116 ? 1.965 1.032 38.479 1.00 65.68 ? 116 GLU A OE1 1 ATOM 916 O OE2 . GLU A 1 116 ? 3.367 1.451 36.832 1.00 67.30 ? 116 GLU A OE2 1 ATOM 917 N N . THR A 1 117 ? 0.359 -4.366 38.532 1.00 74.38 ? 117 THR A N 1 ATOM 918 C CA . THR A 1 117 ? -0.724 -4.915 39.340 1.00 85.61 ? 117 THR A CA 1 ATOM 919 C C . THR A 1 117 ? -1.563 -3.744 39.827 1.00 95.23 ? 117 THR A C 1 ATOM 920 O O . THR A 1 117 ? -1.009 -2.722 40.250 1.00 100.01 ? 117 THR A O 1 ATOM 921 C CB . THR A 1 117 ? -0.204 -5.657 40.596 1.00 86.06 ? 117 THR A CB 1 ATOM 922 O OG1 . THR A 1 117 ? 0.792 -4.861 41.259 1.00 86.40 ? 117 THR A OG1 1 ATOM 923 C CG2 . THR A 1 117 ? 0.391 -7.005 40.246 1.00 83.35 ? 117 THR A CG2 1 ATOM 924 N N . GLU A 1 118 ? -2.885 -3.878 39.766 1.00 104.71 ? 118 GLU A N 1 ATOM 925 C CA . GLU A 1 118 ? -3.755 -2.877 40.370 1.00 110.64 ? 118 GLU A CA 1 ATOM 926 C C . GLU A 1 118 ? -4.783 -3.030 41.520 1.00 114.56 ? 118 GLU A C 1 ATOM 927 O O . GLU A 1 118 ? -5.777 -2.303 41.549 1.00 104.37 ? 118 GLU A O 1 ATOM 928 C CB . GLU A 1 118 ? -5.048 -2.691 39.556 1.00 109.36 ? 118 GLU A CB 1 ATOM 929 C CG . GLU A 1 118 ? -5.586 -1.261 39.602 1.00 107.25 ? 118 GLU A CG 1 ATOM 930 C CD . GLU A 1 118 ? -7.107 -1.173 39.606 1.00 105.15 ? 118 GLU A CD 1 ATOM 931 O OE1 . GLU A 1 118 ? -7.638 -0.153 40.101 1.00 101.33 ? 118 GLU A OE1 1 ATOM 932 O OE2 . GLU A 1 118 ? -7.777 -2.112 39.127 1.00 100.48 ? 118 GLU A OE2 1 ATOM 933 N N . LEU A 1 119 ? -4.529 -3.926 42.474 1.00 124.39 ? 119 LEU A N 1 ATOM 934 C CA . LEU A 1 119 ? -5.489 -4.255 43.543 1.00 133.96 ? 119 LEU A CA 1 ATOM 935 C C . LEU A 1 119 ? -6.199 -3.041 44.186 1.00 144.70 ? 119 LEU A C 1 ATOM 936 O O . LEU A 1 119 ? -7.298 -3.175 44.741 1.00 151.79 ? 119 LEU A O 1 ATOM 937 C CB . LEU A 1 119 ? -4.556 -5.312 44.178 1.00 131.21 ? 119 LEU A CB 1 ATOM 938 C CG . LEU A 1 119 ? -5.087 -6.098 45.402 1.00 128.98 ? 119 LEU A CG 1 ATOM 939 C CD1 . LEU A 1 119 ? -5.186 -7.596 45.117 1.00 123.11 ? 119 LEU A CD1 1 ATOM 940 C CD2 . LEU A 1 119 ? -4.272 -5.842 46.671 1.00 125.68 ? 119 LEU A CD2 1 ATOM 941 N N . GLY A 1 120 ? -5.582 -1.856 44.100 1.00 143.34 ? 120 GLY A N 1 ATOM 942 C CA . GLY A 1 120 ? -6.211 -0.640 44.618 1.00 142.12 ? 120 GLY A CA 1 ATOM 943 C C . GLY A 1 120 ? -6.130 0.712 43.919 1.00 145.91 ? 120 GLY A C 1 ATOM 944 O O . GLY A 1 120 ? -5.034 1.231 43.688 1.00 141.49 ? 120 GLY A O 1 ATOM 945 N N . SER A 1 121 ? -7.294 1.286 43.598 1.00 147.22 ? 121 SER A N 1 ATOM 946 C CA . SER A 1 121 ? -7.408 2.724 43.296 1.00 140.20 ? 121 SER A CA 1 ATOM 947 C C . SER A 1 121 ? -7.439 3.487 44.628 1.00 147.55 ? 121 SER A C 1 ATOM 948 O O . SER A 1 121 ? -6.440 4.103 45.010 1.00 147.43 ? 121 SER A O 1 ATOM 949 C CB . SER A 1 121 ? -8.660 3.040 42.459 1.00 130.37 ? 121 SER A CB 1 ATOM 950 O OG . SER A 1 121 ? -8.451 2.777 41.084 1.00 120.34 ? 121 SER A OG 1 ATOM 951 N N . ASN A 1 122 ? -8.579 3.428 45.331 1.00 152.06 ? 122 ASN A N 1 ATOM 952 C CA . ASN A 1 122 ? -8.699 3.917 46.723 1.00 147.16 ? 122 ASN A CA 1 ATOM 953 C C . ASN A 1 122 ? -8.251 2.819 47.708 1.00 140.16 ? 122 ASN A C 1 ATOM 954 O O . ASN A 1 122 ? -9.066 2.212 48.418 1.00 129.07 ? 122 ASN A O 1 ATOM 955 C CB . ASN A 1 122 ? -10.133 4.400 47.038 1.00 145.70 ? 122 ASN A CB 1 ATOM 956 C CG . ASN A 1 122 ? -10.363 5.865 46.666 1.00 141.98 ? 122 ASN A CG 1 ATOM 957 O OD1 . ASN A 1 122 ? -9.761 6.766 47.254 1.00 131.35 ? 122 ASN A OD1 1 ATOM 958 N ND2 . ASN A 1 122 ? -11.255 6.108 45.705 1.00 140.81 ? 122 ASN A ND2 1 ATOM 959 N N . GLU A 1 123 ? -6.939 2.578 47.707 1.00 136.78 ? 123 GLU A N 1 ATOM 960 C CA . GLU A 1 123 ? -6.275 1.595 48.564 1.00 132.84 ? 123 GLU A CA 1 ATOM 961 C C . GLU A 1 123 ? -4.857 2.119 48.811 1.00 134.12 ? 123 GLU A C 1 ATOM 962 O O . GLU A 1 123 ? -4.241 2.709 47.916 1.00 127.24 ? 123 GLU A O 1 ATOM 963 C CB . GLU A 1 123 ? -6.257 0.217 47.885 1.00 125.87 ? 123 GLU A CB 1 ATOM 964 C CG . GLU A 1 123 ? -5.500 -0.898 48.610 1.00 119.23 ? 123 GLU A CG 1 ATOM 965 C CD . GLU A 1 123 ? -6.079 -1.255 49.973 1.00 110.67 ? 123 GLU A CD 1 ATOM 966 O OE1 . GLU A 1 123 ? -7.319 -1.397 50.085 1.00 96.62 ? 123 GLU A OE1 1 ATOM 967 O OE2 . GLU A 1 123 ? -5.281 -1.415 50.928 1.00 97.47 ? 123 GLU A OE2 1 ATOM 968 N N . HIS A 1 124 ? -4.344 1.896 50.019 1.00 133.99 ? 124 HIS A N 1 ATOM 969 C CA . HIS A 1 124 ? -3.121 2.559 50.476 1.00 132.37 ? 124 HIS A CA 1 ATOM 970 C C . HIS A 1 124 ? -1.834 1.779 50.243 1.00 131.94 ? 124 HIS A C 1 ATOM 971 O O . HIS A 1 124 ? -0.810 2.086 50.852 1.00 127.54 ? 124 HIS A O 1 ATOM 972 C CB . HIS A 1 124 ? -3.271 2.942 51.948 1.00 133.86 ? 124 HIS A CB 1 ATOM 973 C CG . HIS A 1 124 ? -4.258 4.042 52.161 1.00 133.29 ? 124 HIS A CG 1 ATOM 974 N ND1 . HIS A 1 124 ? -5.618 3.855 52.028 1.00 132.18 ? 124 HIS A ND1 1 ATOM 975 C CD2 . HIS A 1 124 ? -4.084 5.353 52.448 1.00 129.35 ? 124 HIS A CD2 1 ATOM 976 C CE1 . HIS A 1 124 ? -6.240 5.000 52.248 1.00 129.10 ? 124 HIS A CE1 1 ATOM 977 N NE2 . HIS A 1 124 ? -5.332 5.924 52.502 1.00 128.90 ? 124 HIS A NE2 1 ATOM 978 N N . SER A 1 125 ? -1.888 0.785 49.354 1.00 133.46 ? 125 SER A N 1 ATOM 979 C CA . SER A 1 125 ? -0.678 0.157 48.818 1.00 134.71 ? 125 SER A CA 1 ATOM 980 C C . SER A 1 125 ? 0.087 1.152 47.946 1.00 138.67 ? 125 SER A C 1 ATOM 981 O O . SER A 1 125 ? 1.292 0.994 47.759 1.00 137.08 ? 125 SER A O 1 ATOM 982 C CB . SER A 1 125 ? -1.015 -1.092 47.989 1.00 130.74 ? 125 SER A CB 1 ATOM 983 O OG . SER A 1 125 ? 0.115 -1.552 47.253 1.00 126.23 ? 125 SER A OG 1 ATOM 984 N N . LYS A 1 126 ? -0.631 2.153 47.416 1.00 134.89 ? 126 LYS A N 1 ATOM 985 C CA . LYS A 1 126 ? -0.077 3.205 46.540 1.00 126.60 ? 126 LYS A CA 1 ATOM 986 C C . LYS A 1 126 ? 0.554 4.368 47.326 1.00 116.29 ? 126 LYS A C 1 ATOM 987 O O . LYS A 1 126 ? 1.638 4.865 46.984 1.00 94.85 ? 126 LYS A O 1 ATOM 988 C CB . LYS A 1 126 ? -1.194 3.768 45.639 1.00 128.09 ? 126 LYS A CB 1 ATOM 989 C CG . LYS A 1 126 ? -2.123 4.745 46.359 1.00 133.63 ? 126 LYS A CG 1 ATOM 990 C CD . LYS A 1 126 ? -3.398 5.085 45.612 1.00 135.54 ? 126 LYS A CD 1 ATOM 991 C CE . LYS A 1 126 ? -4.271 5.985 46.481 1.00 133.40 ? 126 LYS A CE 1 ATOM 992 N NZ . LYS A 1 126 ? -5.427 6.581 45.757 1.00 134.03 ? 126 LYS A NZ 1 ATOM 993 N N . THR A 1 127 ? -0.145 4.775 48.384 1.00 111.80 ? 127 THR A N 1 ATOM 994 C CA . THR A 1 127 ? 0.168 5.971 49.143 1.00 106.63 ? 127 THR A CA 1 ATOM 995 C C . THR A 1 127 ? 1.261 5.634 50.124 1.00 97.33 ? 127 THR A C 1 ATOM 996 O O . THR A 1 127 ? 2.284 6.304 50.167 1.00 99.30 ? 127 THR A O 1 ATOM 997 C CB . THR A 1 127 ? -1.072 6.456 49.918 1.00 115.02 ? 127 THR A CB 1 ATOM 998 O OG1 . THR A 1 127 ? -2.231 6.351 49.079 1.00 121.89 ? 127 THR A OG1 1 ATOM 999 C CG2 . THR A 1 127 ? -0.901 7.887 50.366 1.00 115.34 ? 127 THR A CG2 1 ATOM 1000 N N . GLN A 1 128 ? 1.034 4.581 50.902 1.00 90.49 ? 128 GLN A N 1 ATOM 1001 C CA . GLN A 1 128 ? 2.052 4.030 51.790 1.00 95.86 ? 128 GLN A CA 1 ATOM 1002 C C . GLN A 1 128 ? 3.363 3.662 51.045 1.00 88.40 ? 128 GLN A C 1 ATOM 1003 O O . GLN A 1 128 ? 4.464 3.826 51.594 1.00 87.52 ? 128 GLN A O 1 ATOM 1004 C CB . GLN A 1 128 ? 1.487 2.798 52.511 1.00 103.80 ? 128 GLN A CB 1 ATOM 1005 C CG . GLN A 1 128 ? 2.304 2.329 53.708 1.00 110.96 ? 128 GLN A CG 1 ATOM 1006 C CD . GLN A 1 128 ? 1.842 0.984 54.238 1.00 110.54 ? 128 GLN A CD 1 ATOM 1007 O OE1 . GLN A 1 128 ? 0.642 0.696 54.272 1.00 115.18 ? 128 GLN A OE1 1 ATOM 1008 N NE2 . GLN A 1 128 ? 2.793 0.152 54.657 1.00 101.67 ? 128 GLN A NE2 1 ATOM 1009 N N . CYS A 1 129 ? 3.237 3.157 49.811 1.00 80.29 ? 129 CYS A N 1 ATOM 1010 C CA . CYS A 1 129 ? 4.409 2.848 48.951 1.00 72.16 ? 129 CYS A CA 1 ATOM 1011 C C . CYS A 1 129 ? 5.164 4.127 48.570 1.00 67.89 ? 129 CYS A C 1 ATOM 1012 O O . CYS A 1 129 ? 6.392 4.177 48.620 1.00 67.41 ? 129 CYS A O 1 ATOM 1013 C CB . CYS A 1 129 ? 3.976 2.108 47.665 1.00 66.96 ? 129 CYS A CB 1 ATOM 1014 S SG . CYS A 1 129 ? 5.277 1.228 46.739 1.00 62.08 ? 129 CYS A SG 1 ATOM 1015 N N . GLU A 1 130 ? 4.408 5.145 48.173 1.00 70.70 ? 130 GLU A N 1 ATOM 1016 C CA . GLU A 1 130 ? 4.969 6.398 47.695 1.00 76.33 ? 130 GLU A CA 1 ATOM 1017 C C . GLU A 1 130 ? 5.506 7.228 48.849 1.00 72.47 ? 130 GLU A C 1 ATOM 1018 O O . GLU A 1 130 ? 6.611 7.751 48.773 1.00 66.80 ? 130 GLU A O 1 ATOM 1019 C CB . GLU A 1 130 ? 3.897 7.178 46.922 1.00 81.21 ? 130 GLU A CB 1 ATOM 1020 C CG . GLU A 1 130 ? 4.387 8.451 46.247 1.00 87.52 ? 130 GLU A CG 1 ATOM 1021 C CD . GLU A 1 130 ? 3.385 8.978 45.232 1.00 96.38 ? 130 GLU A CD 1 ATOM 1022 O OE1 . GLU A 1 130 ? 2.874 10.108 45.400 1.00 99.00 ? 130 GLU A OE1 1 ATOM 1023 O OE2 . GLU A 1 130 ? 3.091 8.250 44.262 1.00 92.75 ? 130 GLU A OE2 1 ATOM 1024 N N . GLU A 1 131 ? 4.713 7.322 49.912 1.00 75.77 ? 131 GLU A N 1 ATOM 1025 C CA . GLU A 1 131 ? 5.017 8.175 51.062 1.00 80.06 ? 131 GLU A CA 1 ATOM 1026 C C . GLU A 1 131 ? 6.153 7.672 51.918 1.00 77.54 ? 131 GLU A C 1 ATOM 1027 O O . GLU A 1 131 ? 7.060 8.419 52.286 1.00 76.85 ? 131 GLU A O 1 ATOM 1028 C CB . GLU A 1 131 ? 3.794 8.277 51.966 1.00 85.53 ? 131 GLU A CB 1 ATOM 1029 C CG . GLU A 1 131 ? 2.876 9.423 51.612 1.00 94.51 ? 131 GLU A CG 1 ATOM 1030 C CD . GLU A 1 131 ? 3.176 10.694 52.394 1.00 96.82 ? 131 GLU A CD 1 ATOM 1031 O OE1 . GLU A 1 131 ? 4.327 10.851 52.876 1.00 100.73 ? 131 GLU A OE1 1 ATOM 1032 O OE2 . GLU A 1 131 ? 2.256 11.535 52.526 1.00 93.44 ? 131 GLU A OE2 1 ATOM 1033 N N . TYR A 1 132 ? 6.082 6.402 52.271 1.00 76.88 ? 132 TYR A N 1 ATOM 1034 C CA . TYR A 1 132 ? 6.951 5.897 53.303 1.00 74.93 ? 132 TYR A CA 1 ATOM 1035 C C . TYR A 1 132 ? 7.932 4.837 52.812 1.00 67.78 ? 132 TYR A C 1 ATOM 1036 O O . TYR A 1 132 ? 8.818 4.436 53.580 1.00 72.34 ? 132 TYR A O 1 ATOM 1037 C CB . TYR A 1 132 ? 6.083 5.434 54.491 1.00 83.27 ? 132 TYR A CB 1 ATOM 1038 C CG . TYR A 1 132 ? 5.254 6.582 55.092 1.00 86.55 ? 132 TYR A CG 1 ATOM 1039 C CD1 . TYR A 1 132 ? 3.857 6.538 55.116 1.00 84.75 ? 132 TYR A CD1 1 ATOM 1040 C CD2 . TYR A 1 132 ? 5.882 7.731 55.613 1.00 89.81 ? 132 TYR A CD2 1 ATOM 1041 C CE1 . TYR A 1 132 ? 3.119 7.586 55.666 1.00 85.89 ? 132 TYR A CE1 1 ATOM 1042 C CE2 . TYR A 1 132 ? 5.149 8.784 56.152 1.00 86.04 ? 132 TYR A CE2 1 ATOM 1043 C CZ . TYR A 1 132 ? 3.771 8.705 56.174 1.00 86.94 ? 132 TYR A CZ 1 ATOM 1044 O OH . TYR A 1 132 ? 3.051 9.740 56.698 1.00 87.63 ? 132 TYR A OH 1 ATOM 1045 N N . CYS A 1 133 ? 7.816 4.403 51.546 1.00 62.19 ? 133 CYS A N 1 ATOM 1046 C CA . CYS A 1 133 ? 8.853 3.529 50.926 1.00 56.64 ? 133 CYS A CA 1 ATOM 1047 C C . CYS A 1 133 ? 9.027 2.168 51.630 1.00 56.09 ? 133 CYS A C 1 ATOM 1048 O O . CYS A 1 133 ? 10.165 1.673 51.797 1.00 52.86 ? 133 CYS A O 1 ATOM 1049 C CB . CYS A 1 133 ? 10.205 4.266 50.861 1.00 53.77 ? 133 CYS A CB 1 ATOM 1050 S SG . CYS A 1 133 ? 10.139 5.780 49.852 1.00 56.61 ? 133 CYS A SG 1 ATOM 1051 N N . ILE A 1 134 ? 7.902 1.582 52.053 1.00 56.86 ? 134 ILE A N 1 ATOM 1052 C CA . ILE A 1 134 ? 7.916 0.289 52.727 1.00 56.52 ? 134 ILE A CA 1 ATOM 1053 C C . ILE A 1 134 ? 7.554 -0.733 51.702 1.00 52.70 ? 134 ILE A C 1 ATOM 1054 O O . ILE A 1 134 ? 6.438 -0.755 51.154 1.00 56.14 ? 134 ILE A O 1 ATOM 1055 C CB . ILE A 1 134 ? 6.915 0.143 53.895 1.00 61.85 ? 134 ILE A CB 1 ATOM 1056 C CG1 . ILE A 1 134 ? 6.959 1.358 54.828 1.00 66.56 ? 134 ILE A CG1 1 ATOM 1057 C CG2 . ILE A 1 134 ? 7.214 -1.147 54.672 1.00 62.29 ? 134 ILE A CG2 1 ATOM 1058 C CD1 . ILE A 1 134 ? 8.324 1.650 55.431 1.00 71.31 ? 134 ILE A CD1 1 ATOM 1059 N N . GLN A 1 135 ? 8.532 -1.574 51.431 1.00 50.58 ? 135 GLN A N 1 ATOM 1060 C CA . GLN A 1 135 ? 8.373 -2.714 50.553 1.00 48.75 ? 135 GLN A CA 1 ATOM 1061 C C . GLN A 1 135 ? 7.349 -3.666 51.120 1.00 49.68 ? 135 GLN A C 1 ATOM 1062 O O . GLN A 1 135 ? 7.465 -4.074 52.276 1.00 51.89 ? 135 GLN A O 1 ATOM 1063 C CB . GLN A 1 135 ? 9.721 -3.398 50.487 1.00 47.56 ? 135 GLN A CB 1 ATOM 1064 C CG . GLN A 1 135 ? 9.735 -4.712 49.777 1.00 44.95 ? 135 GLN A CG 1 ATOM 1065 C CD . GLN A 1 135 ? 11.143 -5.106 49.457 1.00 43.37 ? 135 GLN A CD 1 ATOM 1066 O OE1 . GLN A 1 135 ? 11.769 -4.501 48.595 1.00 47.46 ? 135 GLN A OE1 1 ATOM 1067 N NE2 . GLN A 1 135 ? 11.676 -6.086 50.172 1.00 44.00 ? 135 GLN A NE2 1 ATOM 1068 N N . GLY A 1 136 ? 6.316 -3.980 50.353 1.00 47.79 ? 136 GLY A N 1 ATOM 1069 C CA . GLY A 1 136 ? 5.512 -5.124 50.697 1.00 46.41 ? 136 GLY A CA 1 ATOM 1070 C C . GLY A 1 136 ? 4.452 -5.425 49.689 1.00 51.15 ? 136 GLY A C 1 ATOM 1071 O O . GLY A 1 136 ? 3.876 -4.499 49.102 1.00 55.43 ? 136 GLY A O 1 ATOM 1072 N N . ASP A 1 137 ? 4.159 -6.725 49.541 1.00 50.33 ? 137 ASP A N 1 ATOM 1073 C CA . ASP A 1 137 ? 3.158 -7.207 48.599 1.00 55.58 ? 137 ASP A CA 1 ATOM 1074 C C . ASP A 1 137 ? 3.618 -6.732 47.218 1.00 52.19 ? 137 ASP A C 1 ATOM 1075 O O . ASP A 1 137 ? 4.730 -7.078 46.802 1.00 49.49 ? 137 ASP A O 1 ATOM 1076 C CB . ASP A 1 137 ? 1.743 -6.735 48.985 1.00 56.42 ? 137 ASP A CB 1 ATOM 1077 C CG . ASP A 1 137 ? 1.241 -7.383 50.283 1.00 62.79 ? 137 ASP A CG 1 ATOM 1078 O OD1 . ASP A 1 137 ? 1.657 -8.514 50.601 1.00 64.55 ? 137 ASP A OD1 1 ATOM 1079 O OD2 . ASP A 1 137 ? 0.418 -6.772 50.985 1.00 67.41 ? 137 ASP A OD2 1 ATOM 1080 N N . ASN A 1 138 ? 2.851 -5.886 46.549 1.00 46.58 ? 138 ASN A N 1 ATOM 1081 C CA . ASN A 1 138 ? 3.276 -5.438 45.236 1.00 56.56 ? 138 ASN A CA 1 ATOM 1082 C C . ASN A 1 138 ? 4.021 -4.121 45.225 1.00 54.10 ? 138 ASN A C 1 ATOM 1083 O O . ASN A 1 138 ? 4.382 -3.626 44.143 1.00 53.46 ? 138 ASN A O 1 ATOM 1084 C CB . ASN A 1 138 ? 2.113 -5.428 44.258 1.00 62.52 ? 138 ASN A CB 1 ATOM 1085 C CG . ASN A 1 138 ? 1.623 -6.834 43.929 1.00 67.52 ? 138 ASN A CG 1 ATOM 1086 O OD1 . ASN A 1 138 ? 2.385 -7.825 43.899 1.00 59.47 ? 138 ASN A OD1 1 ATOM 1087 N ND2 . ASN A 1 138 ? 0.332 -6.925 43.684 1.00 75.38 ? 138 ASN A ND2 1 ATOM 1088 N N . CYS A 1 139 ? 4.290 -3.592 46.416 1.00 45.82 ? 139 CYS A N 1 ATOM 1089 C CA . CYS A 1 139 ? 5.152 -2.440 46.558 1.00 51.31 ? 139 CYS A CA 1 ATOM 1090 C C . CYS A 1 139 ? 6.624 -2.875 46.667 1.00 48.54 ? 139 CYS A C 1 ATOM 1091 O O . CYS A 1 139 ? 7.039 -3.566 47.624 1.00 45.50 ? 139 CYS A O 1 ATOM 1092 C CB . CYS A 1 139 ? 4.691 -1.558 47.731 1.00 52.16 ? 139 CYS A CB 1 ATOM 1093 S SG . CYS A 1 139 ? 5.823 -0.203 48.064 1.00 57.35 ? 139 CYS A SG 1 ATOM 1094 N N . PHE A 1 140 ? 7.405 -2.517 45.643 1.00 40.44 ? 140 PHE A N 1 ATOM 1095 C CA . PHE A 1 140 ? 8.799 -2.971 45.511 1.00 35.81 ? 140 PHE A CA 1 ATOM 1096 C C . PHE A 1 140 ? 9.655 -1.740 45.213 1.00 43.87 ? 140 PHE A C 1 ATOM 1097 O O . PHE A 1 140 ? 10.180 -1.575 44.083 1.00 37.01 ? 140 PHE A O 1 ATOM 1098 C CB . PHE A 1 140 ? 8.885 -4.056 44.432 1.00 34.46 ? 140 PHE A CB 1 ATOM 1099 C CG . PHE A 1 140 ? 10.248 -4.670 44.251 1.00 35.99 ? 140 PHE A CG 1 ATOM 1100 C CD1 . PHE A 1 140 ? 11.165 -4.731 45.290 1.00 38.63 ? 140 PHE A CD1 1 ATOM 1101 C CD2 . PHE A 1 140 ? 10.597 -5.223 43.024 1.00 36.06 ? 140 PHE A CD2 1 ATOM 1102 C CE1 . PHE A 1 140 ? 12.403 -5.277 45.088 1.00 38.51 ? 140 PHE A CE1 1 ATOM 1103 C CE2 . PHE A 1 140 ? 11.836 -5.766 42.818 1.00 38.03 ? 140 PHE A CE2 1 ATOM 1104 C CZ . PHE A 1 140 ? 12.748 -5.791 43.846 1.00 37.32 ? 140 PHE A CZ 1 ATOM 1105 N N . PRO A 1 141 ? 9.756 -0.836 46.219 1.00 43.94 ? 141 PRO A N 1 ATOM 1106 C CA . PRO A 1 141 ? 10.227 0.513 45.906 1.00 42.54 ? 141 PRO A CA 1 ATOM 1107 C C . PRO A 1 141 ? 11.707 0.548 45.502 1.00 39.39 ? 141 PRO A C 1 ATOM 1108 O O . PRO A 1 141 ? 12.492 -0.296 45.916 1.00 33.63 ? 141 PRO A O 1 ATOM 1109 C CB . PRO A 1 141 ? 9.934 1.301 47.190 1.00 44.29 ? 141 PRO A CB 1 ATOM 1110 C CG . PRO A 1 141 ? 9.920 0.286 48.295 1.00 47.65 ? 141 PRO A CG 1 ATOM 1111 C CD . PRO A 1 141 ? 9.500 -1.027 47.666 1.00 46.95 ? 141 PRO A CD 1 ATOM 1112 N N . ILE A 1 142 ? 12.061 1.515 44.657 1.00 38.41 ? 142 ILE A N 1 ATOM 1113 C CA . ILE A 1 142 ? 13.415 1.654 44.180 1.00 39.66 ? 142 ILE A CA 1 ATOM 1114 C C . ILE A 1 142 ? 14.062 2.631 45.139 1.00 38.15 ? 142 ILE A C 1 ATOM 1115 O O . ILE A 1 142 ? 13.734 3.804 45.114 1.00 38.88 ? 142 ILE A O 1 ATOM 1116 C CB . ILE A 1 142 ? 13.417 2.152 42.714 1.00 39.48 ? 142 ILE A CB 1 ATOM 1117 C CG1 . ILE A 1 142 ? 12.802 1.101 41.807 1.00 38.37 ? 142 ILE A CG1 1 ATOM 1118 C CG2 . ILE A 1 142 ? 14.800 2.488 42.220 1.00 39.82 ? 142 ILE A CG2 1 ATOM 1119 C CD1 . ILE A 1 142 ? 12.535 1.620 40.409 1.00 39.77 ? 142 ILE A CD1 1 ATOM 1120 N N . MET A 1 143 ? 14.911 2.099 46.019 1.00 40.28 ? 143 MET A N 1 ATOM 1121 C CA . MET A 1 143 ? 15.588 2.850 47.094 1.00 43.30 ? 143 MET A CA 1 ATOM 1122 C C . MET A 1 143 ? 16.838 3.590 46.572 1.00 44.19 ? 143 MET A C 1 ATOM 1123 O O . MET A 1 143 ? 17.629 3.023 45.855 1.00 40.30 ? 143 MET A O 1 ATOM 1124 C CB . MET A 1 143 ? 16.030 1.896 48.227 1.00 42.06 ? 143 MET A CB 1 ATOM 1125 C CG . MET A 1 143 ? 14.883 1.094 48.914 1.00 44.08 ? 143 MET A CG 1 ATOM 1126 S SD . MET A 1 143 ? 13.464 2.048 49.574 1.00 48.73 ? 143 MET A SD 1 ATOM 1127 C CE . MET A 1 143 ? 14.266 2.792 51.000 1.00 50.25 ? 143 MET A CE 1 ATOM 1128 N N . PHE A 1 144 ? 17.029 4.839 46.976 1.00 46.61 ? 144 PHE A N 1 ATOM 1129 C CA . PHE A 1 144 ? 18.257 5.582 46.615 1.00 41.80 ? 144 PHE A CA 1 ATOM 1130 C C . PHE A 1 144 ? 19.436 5.108 47.418 1.00 38.95 ? 144 PHE A C 1 ATOM 1131 O O . PHE A 1 144 ? 19.311 4.896 48.589 1.00 46.92 ? 144 PHE A O 1 ATOM 1132 C CB . PHE A 1 144 ? 18.058 7.069 46.865 1.00 39.83 ? 144 PHE A CB 1 ATOM 1133 C CG . PHE A 1 144 ? 16.926 7.647 46.124 1.00 41.61 ? 144 PHE A CG 1 ATOM 1134 C CD1 . PHE A 1 144 ? 15.820 8.107 46.789 1.00 44.88 ? 144 PHE A CD1 1 ATOM 1135 C CD2 . PHE A 1 144 ? 16.972 7.753 44.744 1.00 46.55 ? 144 PHE A CD2 1 ATOM 1136 C CE1 . PHE A 1 144 ? 14.780 8.670 46.113 1.00 45.95 ? 144 PHE A CE1 1 ATOM 1137 C CE2 . PHE A 1 144 ? 15.927 8.306 44.058 1.00 47.17 ? 144 PHE A CE2 1 ATOM 1138 C CZ . PHE A 1 144 ? 14.816 8.740 44.748 1.00 46.08 ? 144 PHE A CZ 1 ATOM 1139 N N . PRO A 1 145 ? 20.585 4.963 46.766 1.00 37.55 ? 145 PRO A N 1 ATOM 1140 C CA . PRO A 1 145 ? 21.816 4.557 47.451 1.00 41.14 ? 145 PRO A CA 1 ATOM 1141 C C . PRO A 1 145 ? 22.559 5.764 48.013 1.00 47.31 ? 145 PRO A C 1 ATOM 1142 O O . PRO A 1 145 ? 22.432 6.867 47.480 1.00 46.11 ? 145 PRO A O 1 ATOM 1143 C CB . PRO A 1 145 ? 22.635 3.907 46.335 1.00 37.20 ? 145 PRO A CB 1 ATOM 1144 C CG . PRO A 1 145 ? 22.166 4.583 45.092 1.00 37.10 ? 145 PRO A CG 1 ATOM 1145 C CD . PRO A 1 145 ? 20.704 4.857 45.301 1.00 36.54 ? 145 PRO A CD 1 ATOM 1146 N N . LYS A 1 146 ? 23.323 5.554 49.080 1.00 63.27 ? 146 LYS A N 1 ATOM 1147 C CA . LYS A 1 146 ? 24.069 6.636 49.713 1.00 65.26 ? 146 LYS A CA 1 ATOM 1148 C C . LYS A 1 146 ? 24.754 7.525 48.679 1.00 63.15 ? 146 LYS A C 1 ATOM 1149 O O . LYS A 1 146 ? 25.426 7.034 47.772 1.00 60.02 ? 146 LYS A O 1 ATOM 1150 C CB . LYS A 1 146 ? 25.104 6.072 50.689 1.00 72.10 ? 146 LYS A CB 1 ATOM 1151 C CG . LYS A 1 146 ? 25.886 7.134 51.445 1.00 81.31 ? 146 LYS A CG 1 ATOM 1152 C CD . LYS A 1 146 ? 27.001 6.514 52.272 1.00 85.11 ? 146 LYS A CD 1 ATOM 1153 C CE . LYS A 1 146 ? 27.395 7.414 53.431 1.00 90.74 ? 146 LYS A CE 1 ATOM 1154 N NZ . LYS A 1 146 ? 27.801 8.770 52.969 1.00 92.80 ? 146 LYS A NZ 1 ATOM 1155 N N . ASN A 1 147 ? 24.581 8.835 48.825 1.00 57.75 ? 147 ASN A N 1 ATOM 1156 C CA . ASN A 1 147 ? 25.188 9.786 47.925 1.00 58.93 ? 147 ASN A CA 1 ATOM 1157 C C . ASN A 1 147 ? 24.301 10.174 46.772 1.00 58.61 ? 147 ASN A C 1 ATOM 1158 O O . ASN A 1 147 ? 24.729 10.922 45.935 1.00 54.50 ? 147 ASN A O 1 ATOM 1159 C CB . ASN A 1 147 ? 26.515 9.288 47.330 1.00 66.44 ? 147 ASN A CB 1 ATOM 1160 C CG . ASN A 1 147 ? 27.564 8.976 48.370 1.00 69.59 ? 147 ASN A CG 1 ATOM 1161 O OD1 . ASN A 1 147 ? 27.505 9.441 49.502 1.00 75.77 ? 147 ASN A OD1 1 ATOM 1162 N ND2 . ASN A 1 147 ? 28.544 8.187 47.979 1.00 68.65 ? 147 ASN A ND2 1 ATOM 1163 N N . ASP A 1 148 ? 23.080 9.671 46.718 1.00 50.13 ? 148 ASP A N 1 ATOM 1164 C CA . ASP A 1 148 ? 22.174 10.047 45.650 1.00 45.08 ? 148 ASP A CA 1 ATOM 1165 C C . ASP A 1 148 ? 21.591 11.421 45.802 1.00 43.17 ? 148 ASP A C 1 ATOM 1166 O O . ASP A 1 148 ? 20.970 11.718 46.773 1.00 42.81 ? 148 ASP A O 1 ATOM 1167 C CB . ASP A 1 148 ? 21.026 9.049 45.517 1.00 45.92 ? 148 ASP A CB 1 ATOM 1168 C CG . ASP A 1 148 ? 20.434 9.032 44.132 1.00 40.75 ? 148 ASP A CG 1 ATOM 1169 O OD1 . ASP A 1 148 ? 20.037 10.074 43.633 1.00 42.75 ? 148 ASP A OD1 1 ATOM 1170 O OD2 . ASP A 1 148 ? 20.385 7.973 43.523 1.00 42.18 ? 148 ASP A OD2 1 ATOM 1171 N N . PRO A 1 149 ? 21.756 12.253 44.689 1.00 47.00 ? 149 PRO A N 1 ATOM 1172 C CA . PRO A 1 149 ? 21.151 13.585 44.844 1.00 46.15 ? 149 PRO A CA 1 ATOM 1173 C C . PRO A 1 149 ? 19.639 13.590 44.996 1.00 44.76 ? 149 PRO A C 1 ATOM 1174 O O . PRO A 1 149 ? 19.080 14.531 45.504 1.00 35.54 ? 149 PRO A O 1 ATOM 1175 C CB . PRO A 1 149 ? 21.507 14.296 43.556 1.00 49.39 ? 149 PRO A CB 1 ATOM 1176 C CG . PRO A 1 149 ? 22.687 13.616 43.035 1.00 51.54 ? 149 PRO A CG 1 ATOM 1177 C CD . PRO A 1 149 ? 22.331 12.213 43.257 1.00 52.14 ? 149 PRO A CD 1 ATOM 1178 N N . LYS A 1 150 ? 18.965 12.563 44.545 1.00 36.70 ? 150 LYS A N 1 ATOM 1179 C CA . LYS A 1 150 ? 17.509 12.544 44.719 1.00 35.47 ? 150 LYS A CA 1 ATOM 1180 C C . LYS A 1 150 ? 17.119 12.354 46.210 1.00 32.84 ? 150 LYS A C 1 ATOM 1181 O O . LYS A 1 150 ? 16.021 12.658 46.608 1.00 33.78 ? 150 LYS A O 1 ATOM 1182 C CB . LYS A 1 150 ? 16.860 11.501 43.808 1.00 36.21 ? 150 LYS A CB 1 ATOM 1183 C CG . LYS A 1 150 ? 16.738 11.977 42.372 1.00 37.53 ? 150 LYS A CG 1 ATOM 1184 C CD . LYS A 1 150 ? 16.191 10.903 41.445 1.00 37.43 ? 150 LYS A CD 1 ATOM 1185 C CE . LYS A 1 150 ? 16.162 11.418 40.023 1.00 37.39 ? 150 LYS A CE 1 ATOM 1186 N NZ . LYS A 1 150 ? 15.044 12.371 39.795 1.00 37.66 ? 150 LYS A NZ 1 ATOM 1187 N N . LEU A 1 151 ? 18.047 11.834 46.994 1.00 33.80 ? 151 LEU A N 1 ATOM 1188 C CA . LEU A 1 151 ? 17.893 11.743 48.433 1.00 43.29 ? 151 LEU A CA 1 ATOM 1189 C C . LEU A 1 151 ? 17.623 13.106 48.988 1.00 44.10 ? 151 LEU A C 1 ATOM 1190 O O . LEU A 1 151 ? 16.787 13.266 49.864 1.00 44.57 ? 151 LEU A O 1 ATOM 1191 C CB . LEU A 1 151 ? 19.169 11.233 49.092 1.00 43.65 ? 151 LEU A CB 1 ATOM 1192 C CG . LEU A 1 151 ? 19.076 9.843 49.679 1.00 52.14 ? 151 LEU A CG 1 ATOM 1193 C CD1 . LEU A 1 151 ? 20.426 9.393 50.251 1.00 51.44 ? 151 LEU A CD1 1 ATOM 1194 C CD2 . LEU A 1 151 ? 17.966 9.851 50.729 1.00 48.12 ? 151 LEU A CD2 1 ATOM 1195 N N . LYS A 1 152 ? 18.339 14.087 48.439 1.00 42.50 ? 152 LYS A N 1 ATOM 1196 C CA . LYS A 1 152 ? 18.260 15.436 48.942 1.00 45.31 ? 152 LYS A CA 1 ATOM 1197 C C . LYS A 1 152 ? 16.951 16.070 48.554 1.00 45.37 ? 152 LYS A C 1 ATOM 1198 O O . LYS A 1 152 ? 16.389 16.823 49.328 1.00 44.62 ? 152 LYS A O 1 ATOM 1199 C CB . LYS A 1 152 ? 19.459 16.256 48.478 1.00 43.90 ? 152 LYS A CB 1 ATOM 1200 C CG . LYS A 1 152 ? 20.738 15.873 49.184 1.00 45.95 ? 152 LYS A CG 1 ATOM 1201 C CD . LYS A 1 152 ? 21.966 16.120 48.329 1.00 49.16 ? 152 LYS A CD 1 ATOM 1202 C CE . LYS A 1 152 ? 23.280 16.052 49.130 1.00 54.13 ? 152 LYS A CE 1 ATOM 1203 N NZ . LYS A 1 152 ? 23.965 17.389 49.283 1.00 52.26 ? 152 LYS A NZ 1 ATOM 1204 N N . THR A 1 153 ? 16.411 15.744 47.386 1.00 46.80 ? 153 THR A N 1 ATOM 1205 C CA . THR A 1 153 ? 15.191 16.443 46.966 1.00 45.23 ? 153 THR A CA 1 ATOM 1206 C C . THR A 1 153 ? 13.920 15.631 46.845 1.00 47.83 ? 153 THR A C 1 ATOM 1207 O O . THR A 1 153 ? 12.852 16.218 46.670 1.00 44.64 ? 153 THR A O 1 ATOM 1208 C CB . THR A 1 153 ? 15.395 17.114 45.617 1.00 44.29 ? 153 THR A CB 1 ATOM 1209 O OG1 . THR A 1 153 ? 15.707 16.110 44.626 1.00 45.90 ? 153 THR A OG1 1 ATOM 1210 C CG2 . THR A 1 153 ? 16.518 18.133 45.729 1.00 43.10 ? 153 THR A CG2 1 ATOM 1211 N N . GLN A 1 154 ? 14.008 14.306 46.928 1.00 49.11 ? 154 GLN A N 1 ATOM 1212 C CA . GLN A 1 154 ? 12.858 13.474 46.516 1.00 48.35 ? 154 GLN A CA 1 ATOM 1213 C C . GLN A 1 154 ? 12.399 12.442 47.506 1.00 48.48 ? 154 GLN A C 1 ATOM 1214 O O . GLN A 1 154 ? 11.335 11.892 47.322 1.00 54.74 ? 154 GLN A O 1 ATOM 1215 C CB . GLN A 1 154 ? 13.148 12.773 45.167 1.00 45.35 ? 154 GLN A CB 1 ATOM 1216 C CG . GLN A 1 154 ? 12.845 13.629 43.972 1.00 43.42 ? 154 GLN A CG 1 ATOM 1217 C CD . GLN A 1 154 ? 12.990 12.899 42.652 1.00 42.37 ? 154 GLN A CD 1 ATOM 1218 O OE1 . GLN A 1 154 ? 13.585 13.438 41.732 1.00 44.36 ? 154 GLN A OE1 1 ATOM 1219 N NE2 . GLN A 1 154 ? 12.480 11.666 42.552 1.00 40.72 ? 154 GLN A NE2 1 ATOM 1220 N N . GLY A 1 155 ? 13.216 12.117 48.498 1.00 52.77 ? 155 GLY A N 1 ATOM 1221 C CA . GLY A 1 155 ? 12.828 11.182 49.531 1.00 51.78 ? 155 GLY A CA 1 ATOM 1222 C C . GLY A 1 155 ? 13.840 10.062 49.714 1.00 56.11 ? 155 GLY A C 1 ATOM 1223 O O . GLY A 1 155 ? 15.046 10.267 49.573 1.00 53.48 ? 155 GLY A O 1 ATOM 1224 N N . LYS A 1 156 ? 13.347 8.880 50.076 1.00 50.00 ? 156 LYS A N 1 ATOM 1225 C CA . LYS A 1 156 ? 14.198 7.718 50.281 1.00 50.46 ? 156 LYS A CA 1 ATOM 1226 C C . LYS A 1 156 ? 14.110 6.781 49.071 1.00 41.93 ? 156 LYS A C 1 ATOM 1227 O O . LYS A 1 156 ? 14.946 5.914 48.897 1.00 46.07 ? 156 LYS A O 1 ATOM 1228 C CB . LYS A 1 156 ? 13.766 6.960 51.551 1.00 52.81 ? 156 LYS A CB 1 ATOM 1229 C CG . LYS A 1 156 ? 13.676 7.802 52.825 1.00 58.81 ? 156 LYS A CG 1 ATOM 1230 C CD . LYS A 1 156 ? 14.912 7.703 53.708 1.00 59.50 ? 156 LYS A CD 1 ATOM 1231 C CE . LYS A 1 156 ? 16.134 8.368 53.077 1.00 61.00 ? 156 LYS A CE 1 ATOM 1232 N NZ . LYS A 1 156 ? 17.158 8.818 54.082 1.00 62.94 ? 156 LYS A NZ 1 ATOM 1233 N N . CYS A 1 157 ? 13.083 6.945 48.251 1.00 44.99 ? 157 CYS A N 1 ATOM 1234 C CA . CYS A 1 157 ? 12.834 6.006 47.164 1.00 45.70 ? 157 CYS A CA 1 ATOM 1235 C C . CYS A 1 157 ? 12.042 6.598 46.048 1.00 45.57 ? 157 CYS A C 1 ATOM 1236 O O . CYS A 1 157 ? 11.511 7.676 46.157 1.00 39.89 ? 157 CYS A O 1 ATOM 1237 C CB . CYS A 1 157 ? 12.045 4.808 47.696 1.00 43.08 ? 157 CYS A CB 1 ATOM 1238 S SG . CYS A 1 157 ? 10.267 5.066 47.925 1.00 47.31 ? 157 CYS A SG 1 ATOM 1239 N N . MET A 1 158 ? 11.945 5.831 44.972 1.00 49.50 ? 158 MET A N 1 ATOM 1240 C CA . MET A 1 158 ? 10.983 6.052 43.922 1.00 47.29 ? 158 MET A CA 1 ATOM 1241 C C . MET A 1 158 ? 9.994 4.883 44.009 1.00 49.07 ? 158 MET A C 1 ATOM 1242 O O . MET A 1 158 ? 10.410 3.725 44.109 1.00 44.07 ? 158 MET A O 1 ATOM 1243 C CB . MET A 1 158 ? 11.649 5.935 42.564 1.00 44.07 ? 158 MET A CB 1 ATOM 1244 C CG . MET A 1 158 ? 12.417 7.138 42.098 1.00 51.83 ? 158 MET A CG 1 ATOM 1245 S SD . MET A 1 158 ? 13.125 6.716 40.501 1.00 51.34 ? 158 MET A SD 1 ATOM 1246 C CE . MET A 1 158 ? 14.765 7.256 40.848 1.00 48.09 ? 158 MET A CE 1 ATOM 1247 N N . PRO A 1 159 ? 8.694 5.167 43.924 1.00 47.87 ? 159 PRO A N 1 ATOM 1248 C CA . PRO A 1 159 ? 7.766 4.050 43.943 1.00 48.18 ? 159 PRO A CA 1 ATOM 1249 C C . PRO A 1 159 ? 7.877 3.161 42.714 1.00 45.70 ? 159 PRO A C 1 ATOM 1250 O O . PRO A 1 159 ? 8.353 3.585 41.657 1.00 44.83 ? 159 PRO A O 1 ATOM 1251 C CB . PRO A 1 159 ? 6.381 4.711 44.011 1.00 48.22 ? 159 PRO A CB 1 ATOM 1252 C CG . PRO A 1 159 ? 6.610 6.170 44.117 1.00 48.86 ? 159 PRO A CG 1 ATOM 1253 C CD . PRO A 1 159 ? 8.018 6.448 43.678 1.00 49.65 ? 159 PRO A CD 1 ATOM 1254 N N . PHE A 1 160 ? 7.444 1.918 42.893 1.00 43.17 ? 160 PHE A N 1 ATOM 1255 C CA . PHE A 1 160 ? 7.466 0.905 41.858 1.00 39.28 ? 160 PHE A CA 1 ATOM 1256 C C . PHE A 1 160 ? 6.558 -0.227 42.326 1.00 41.35 ? 160 PHE A C 1 ATOM 1257 O O . PHE A 1 160 ? 6.688 -0.722 43.450 1.00 41.44 ? 160 PHE A O 1 ATOM 1258 C CB . PHE A 1 160 ? 8.898 0.437 41.654 1.00 37.93 ? 160 PHE A CB 1 ATOM 1259 C CG . PHE A 1 160 ? 9.037 -0.737 40.751 1.00 36.92 ? 160 PHE A CG 1 ATOM 1260 C CD1 . PHE A 1 160 ? 8.670 -2.010 41.176 1.00 39.37 ? 160 PHE A CD1 1 ATOM 1261 C CD2 . PHE A 1 160 ? 9.590 -0.594 39.489 1.00 33.67 ? 160 PHE A CD2 1 ATOM 1262 C CE1 . PHE A 1 160 ? 8.846 -3.107 40.339 1.00 36.03 ? 160 PHE A CE1 1 ATOM 1263 C CE2 . PHE A 1 160 ? 9.776 -1.690 38.666 1.00 33.52 ? 160 PHE A CE2 1 ATOM 1264 C CZ . PHE A 1 160 ? 9.401 -2.936 39.095 1.00 35.68 ? 160 PHE A CZ 1 ATOM 1265 N N . PHE A 1 161 ? 5.609 -0.584 41.475 1.00 42.25 ? 161 PHE A N 1 ATOM 1266 C CA . PHE A 1 161 ? 4.674 -1.636 41.720 1.00 44.81 ? 161 PHE A CA 1 ATOM 1267 C C . PHE A 1 161 ? 4.955 -2.805 40.799 1.00 43.92 ? 161 PHE A C 1 ATOM 1268 O O . PHE A 1 161 ? 5.208 -2.621 39.595 1.00 36.75 ? 161 PHE A O 1 ATOM 1269 C CB . PHE A 1 161 ? 3.270 -1.105 41.489 1.00 48.01 ? 161 PHE A CB 1 ATOM 1270 C CG . PHE A 1 161 ? 2.982 0.090 42.318 1.00 61.35 ? 161 PHE A CG 1 ATOM 1271 C CD1 . PHE A 1 161 ? 3.246 1.368 41.834 1.00 65.28 ? 161 PHE A CD1 1 ATOM 1272 C CD2 . PHE A 1 161 ? 2.552 -0.058 43.623 1.00 68.36 ? 161 PHE A CD2 1 ATOM 1273 C CE1 . PHE A 1 161 ? 3.025 2.476 42.621 1.00 71.37 ? 161 PHE A CE1 1 ATOM 1274 C CE2 . PHE A 1 161 ? 2.320 1.052 44.411 1.00 73.68 ? 161 PHE A CE2 1 ATOM 1275 C CZ . PHE A 1 161 ? 2.564 2.315 43.912 1.00 71.99 ? 161 PHE A CZ 1 ATOM 1276 N N . ARG A 1 162 ? 4.858 -3.996 41.369 1.00 40.04 ? 162 ARG A N 1 ATOM 1277 C CA . ARG A 1 162 ? 5.151 -5.227 40.650 1.00 39.69 ? 162 ARG A CA 1 ATOM 1278 C C . ARG A 1 162 ? 4.141 -5.457 39.534 1.00 40.74 ? 162 ARG A C 1 ATOM 1279 O O . ARG A 1 162 ? 2.986 -5.067 39.667 1.00 38.48 ? 162 ARG A O 1 ATOM 1280 C CB . ARG A 1 162 ? 5.152 -6.388 41.631 1.00 37.96 ? 162 ARG A CB 1 ATOM 1281 C CG . ARG A 1 162 ? 6.199 -6.250 42.695 1.00 38.84 ? 162 ARG A CG 1 ATOM 1282 C CD . ARG A 1 162 ? 6.631 -7.571 43.308 1.00 37.73 ? 162 ARG A CD 1 ATOM 1283 N NE . ARG A 1 162 ? 7.217 -8.468 42.334 1.00 40.57 ? 162 ARG A NE 1 ATOM 1284 C CZ . ARG A 1 162 ? 7.469 -9.755 42.550 1.00 38.30 ? 162 ARG A CZ 1 ATOM 1285 N NH1 . ARG A 1 162 ? 7.140 -10.314 43.685 1.00 38.29 ? 162 ARG A NH1 1 ATOM 1286 N NH2 . ARG A 1 162 ? 7.991 -10.500 41.586 1.00 39.20 ? 162 ARG A NH2 1 ATOM 1287 N N . ALA A 1 163 ? 4.576 -6.079 38.433 1.00 40.05 ? 163 ALA A N 1 ATOM 1288 C CA . ALA A 1 163 ? 3.698 -6.308 37.264 1.00 35.50 ? 163 ALA A CA 1 ATOM 1289 C C . ALA A 1 163 ? 2.644 -7.310 37.547 1.00 39.53 ? 163 ALA A C 1 ATOM 1290 O O . ALA A 1 163 ? 2.878 -8.214 38.338 1.00 33.67 ? 163 ALA A O 1 ATOM 1291 C CB . ALA A 1 163 ? 4.482 -6.814 36.087 1.00 35.66 ? 163 ALA A CB 1 ATOM 1292 N N . GLY A 1 164 ? 1.491 -7.180 36.866 1.00 38.25 ? 164 GLY A N 1 ATOM 1293 C CA . GLY A 1 164 ? 0.412 -8.172 36.968 1.00 43.00 ? 164 GLY A CA 1 ATOM 1294 C C . GLY A 1 164 ? 0.814 -9.587 36.533 1.00 42.23 ? 164 GLY A C 1 ATOM 1295 O O . GLY A 1 164 ? 1.665 -9.751 35.681 1.00 45.71 ? 164 GLY A O 1 ATOM 1296 N N . PHE A 1 165 ? 0.212 -10.590 37.173 1.00 44.94 ? 165 PHE A N 1 ATOM 1297 C CA . PHE A 1 165 ? 0.449 -12.008 36.908 1.00 45.54 ? 165 PHE A CA 1 ATOM 1298 C C . PHE A 1 165 ? -0.859 -12.790 36.870 1.00 51.89 ? 165 PHE A C 1 ATOM 1299 O O . PHE A 1 165 ? -1.860 -12.334 37.423 1.00 42.56 ? 165 PHE A O 1 ATOM 1300 C CB . PHE A 1 165 ? 1.345 -12.616 37.969 1.00 47.16 ? 165 PHE A CB 1 ATOM 1301 C CG . PHE A 1 165 ? 0.917 -12.326 39.384 1.00 49.81 ? 165 PHE A CG 1 ATOM 1302 C CD1 . PHE A 1 165 ? 1.058 -11.059 39.932 1.00 51.13 ? 165 PHE A CD1 1 ATOM 1303 C CD2 . PHE A 1 165 ? 0.404 -13.344 40.189 1.00 54.27 ? 165 PHE A CD2 1 ATOM 1304 C CE1 . PHE A 1 165 ? 0.694 -10.804 41.250 1.00 49.69 ? 165 PHE A CE1 1 ATOM 1305 C CE2 . PHE A 1 165 ? 0.055 -13.103 41.504 1.00 54.53 ? 165 PHE A CE2 1 ATOM 1306 C CZ . PHE A 1 165 ? 0.195 -11.828 42.032 1.00 56.22 ? 165 PHE A CZ 1 ATOM 1307 N N . VAL A 1 166 ? -0.849 -13.930 36.185 1.00 55.22 ? 166 VAL A N 1 ATOM 1308 C CA . VAL A 1 166 ? -2.069 -14.676 35.889 1.00 58.80 ? 166 VAL A CA 1 ATOM 1309 C C . VAL A 1 166 ? -2.617 -15.476 37.066 1.00 65.91 ? 166 VAL A C 1 ATOM 1310 O O . VAL A 1 166 ? -2.140 -15.357 38.195 1.00 66.27 ? 166 VAL A O 1 ATOM 1311 C CB . VAL A 1 166 ? -1.864 -15.631 34.696 1.00 59.06 ? 166 VAL A CB 1 ATOM 1312 C CG1 . VAL A 1 166 ? -1.878 -14.855 33.388 1.00 59.10 ? 166 VAL A CG1 1 ATOM 1313 C CG2 . VAL A 1 166 ? -0.563 -16.402 34.852 1.00 63.21 ? 166 VAL A CG2 1 ATOM 1314 N N . CYS A 1 167 ? -3.526 -16.406 36.783 1.00 80.92 ? 167 CYS A N 1 ATOM 1315 C CA . CYS A 1 167 ? -4.062 -17.280 37.827 1.00 83.52 ? 167 CYS A CA 1 ATOM 1316 C C . CYS A 1 167 ? -4.852 -16.273 38.623 1.00 81.83 ? 167 CYS A C 1 ATOM 1317 O O . CYS A 1 167 ? -5.823 -15.708 38.120 1.00 68.68 ? 167 CYS A O 1 ATOM 1318 C CB . CYS A 1 167 ? -2.932 -17.943 38.612 1.00 88.47 ? 167 CYS A CB 1 ATOM 1319 S SG . CYS A 1 167 ? -2.011 -19.193 37.685 1.00 96.85 ? 167 CYS A SG 1 ATOM 1320 N N . PRO A 1 168 ? -4.423 -16.003 39.851 1.00 80.88 ? 168 PRO A N 1 ATOM 1321 C CA . PRO A 1 168 ? -4.775 -14.718 40.423 1.00 88.49 ? 168 PRO A CA 1 ATOM 1322 C C . PRO A 1 168 ? -3.897 -13.519 40.558 1.00 90.93 ? 168 PRO A C 1 ATOM 1323 O O . PRO A 1 168 ? -2.676 -13.636 40.448 1.00 84.17 ? 168 PRO A O 1 ATOM 1324 C CB . PRO A 1 168 ? -5.035 -15.335 41.798 1.00 88.53 ? 168 PRO A CB 1 ATOM 1325 C CG . PRO A 1 168 ? -3.894 -16.270 42.000 1.00 91.55 ? 168 PRO A CG 1 ATOM 1326 C CD . PRO A 1 168 ? -3.568 -16.814 40.637 1.00 87.04 ? 168 PRO A CD 1 ATOM 1327 N N . THR A 1 169 ? -4.497 -12.366 40.787 1.00 94.57 ? 169 THR A N 1 ATOM 1328 C CA . THR A 1 169 ? -3.636 -11.163 40.855 1.00 103.78 ? 169 THR A CA 1 ATOM 1329 C C . THR A 1 169 ? -3.460 -10.739 42.336 1.00 121.28 ? 169 THR A C 1 ATOM 1330 O O . THR A 1 169 ? -2.705 -9.806 42.621 1.00 122.86 ? 169 THR A O 1 ATOM 1331 C CB . THR A 1 169 ? -4.784 -10.368 40.202 1.00 96.34 ? 169 THR A CB 1 ATOM 1332 O OG1 . THR A 1 169 ? -4.859 -10.692 38.810 1.00 101.12 ? 169 THR A OG1 1 ATOM 1333 C CG2 . THR A 1 169 ? -4.541 -8.871 40.344 1.00 92.45 ? 169 THR A CG2 1 ATOM 1334 N N . PRO A 1 170 ? -4.188 -11.401 43.272 1.00 143.52 ? 170 PRO A N 1 ATOM 1335 C CA . PRO A 1 170 ? -3.673 -11.606 44.641 1.00 151.38 ? 170 PRO A CA 1 ATOM 1336 C C . PRO A 1 170 ? -2.593 -12.706 44.621 1.00 157.09 ? 170 PRO A C 1 ATOM 1337 O O . PRO A 1 170 ? -2.368 -13.311 43.573 1.00 163.98 ? 170 PRO A O 1 ATOM 1338 C CB . PRO A 1 170 ? -4.910 -12.057 45.438 1.00 150.57 ? 170 PRO A CB 1 ATOM 1339 C CG . PRO A 1 170 ? -6.091 -11.689 44.607 1.00 150.08 ? 170 PRO A CG 1 ATOM 1340 C CD . PRO A 1 170 ? -5.629 -11.707 43.179 1.00 149.28 ? 170 PRO A CD 1 ATOM 1341 N N . PRO A 1 171 ? -1.928 -12.976 45.761 1.00 159.60 ? 171 PRO A N 1 ATOM 1342 C CA . PRO A 1 171 ? -0.789 -13.919 45.697 1.00 157.13 ? 171 PRO A CA 1 ATOM 1343 C C . PRO A 1 171 ? -1.129 -15.361 45.245 1.00 155.46 ? 171 PRO A C 1 ATOM 1344 O O . PRO A 1 171 ? -2.288 -15.791 45.306 1.00 148.88 ? 171 PRO A O 1 ATOM 1345 C CB . PRO A 1 171 ? -0.219 -13.899 47.127 1.00 153.67 ? 171 PRO A CB 1 ATOM 1346 C CG . PRO A 1 171 ? -1.279 -13.288 47.982 1.00 154.10 ? 171 PRO A CG 1 ATOM 1347 C CD . PRO A 1 171 ? -2.102 -12.393 47.103 1.00 155.76 ? 171 PRO A CD 1 ATOM 1348 N N . TYR A 1 172 ? -0.113 -16.090 44.788 1.00 153.71 ? 172 TYR A N 1 ATOM 1349 C CA . TYR A 1 172 ? -0.262 -17.493 44.395 1.00 151.29 ? 172 TYR A CA 1 ATOM 1350 C C . TYR A 1 172 ? 0.718 -18.327 45.214 1.00 150.48 ? 172 TYR A C 1 ATOM 1351 O O . TYR A 1 172 ? 1.215 -17.853 46.235 1.00 150.30 ? 172 TYR A O 1 ATOM 1352 C CB . TYR A 1 172 ? 0.009 -17.668 42.901 1.00 145.67 ? 172 TYR A CB 1 ATOM 1353 C CG . TYR A 1 172 ? -0.179 -19.085 42.408 1.00 141.31 ? 172 TYR A CG 1 ATOM 1354 C CD1 . TYR A 1 172 ? -1.360 -19.774 42.647 1.00 135.89 ? 172 TYR A CD1 1 ATOM 1355 C CD2 . TYR A 1 172 ? 0.826 -19.734 41.702 1.00 137.19 ? 172 TYR A CD2 1 ATOM 1356 C CE1 . TYR A 1 172 ? -1.536 -21.069 42.198 1.00 130.76 ? 172 TYR A CE1 1 ATOM 1357 C CE2 . TYR A 1 172 ? 0.660 -21.029 41.249 1.00 135.96 ? 172 TYR A CE2 1 ATOM 1358 C CZ . TYR A 1 172 ? -0.523 -21.691 41.499 1.00 130.71 ? 172 TYR A CZ 1 ATOM 1359 O OH . TYR A 1 172 ? -0.693 -22.981 41.050 1.00 118.86 ? 172 TYR A OH 1 ATOM 1360 N N . GLN A 1 173 ? 0.969 -19.569 44.804 1.00 147.03 ? 173 GLN A N 1 ATOM 1361 C CA . GLN A 1 173 ? 1.869 -20.426 45.578 1.00 136.95 ? 173 GLN A CA 1 ATOM 1362 C C . GLN A 1 173 ? 1.970 -21.891 45.134 1.00 127.68 ? 173 GLN A C 1 ATOM 1363 O O . GLN A 1 173 ? 1.975 -22.794 45.970 1.00 121.08 ? 173 GLN A O 1 ATOM 1364 C CB . GLN A 1 173 ? 1.503 -20.365 47.065 1.00 134.21 ? 173 GLN A CB 1 ATOM 1365 C CG . GLN A 1 173 ? 0.064 -20.753 47.366 1.00 130.09 ? 173 GLN A CG 1 ATOM 1366 C CD . GLN A 1 173 ? -0.044 -21.756 48.498 1.00 132.04 ? 173 GLN A CD 1 ATOM 1367 O OE1 . GLN A 1 173 ? 0.462 -21.527 49.596 1.00 135.60 ? 173 GLN A OE1 1 ATOM 1368 N NE2 . GLN A 1 173 ? -0.706 -22.876 48.234 1.00 128.54 ? 173 GLN A NE2 1 ATOM 1369 N N . SER A 1 174 ? 2.122 -22.104 43.830 1.00 119.26 ? 174 SER A N 1 ATOM 1370 C CA . SER A 1 174 ? 2.388 -23.432 43.287 1.00 109.21 ? 174 SER A CA 1 ATOM 1371 C C . SER A 1 174 ? 3.505 -23.364 42.244 1.00 97.80 ? 174 SER A C 1 ATOM 1372 O O . SER A 1 174 ? 4.626 -23.814 42.480 1.00 93.66 ? 174 SER A O 1 ATOM 1373 C CB . SER A 1 174 ? 1.121 -24.024 42.667 1.00 111.68 ? 174 SER A CB 1 ATOM 1374 O OG . SER A 1 174 ? 0.115 -24.214 43.647 1.00 112.03 ? 174 SER A OG 1 ATOM 1375 N N . LEU A 1 175 ? 3.176 -22.790 41.092 1.00 92.37 ? 175 LEU A N 1 ATOM 1376 C CA . LEU A 1 175 ? 4.116 -22.583 39.989 1.00 74.80 ? 175 LEU A CA 1 ATOM 1377 C C . LEU A 1 175 ? 4.801 -21.229 40.222 1.00 65.97 ? 175 LEU A C 1 ATOM 1378 O O . LEU A 1 175 ? 4.373 -20.412 41.068 1.00 55.04 ? 175 LEU A O 1 ATOM 1379 C CB . LEU A 1 175 ? 3.349 -22.600 38.656 1.00 75.97 ? 175 LEU A CB 1 ATOM 1380 C CG . LEU A 1 175 ? 4.034 -22.723 37.278 1.00 78.01 ? 175 LEU A CG 1 ATOM 1381 C CD1 . LEU A 1 175 ? 3.088 -23.409 36.295 1.00 79.18 ? 175 LEU A CD1 1 ATOM 1382 C CD2 . LEU A 1 175 ? 4.474 -21.396 36.676 1.00 72.91 ? 175 LEU A CD2 1 ATOM 1383 N N . ALA A 1 176 ? 5.880 -21.003 39.483 1.00 59.74 ? 176 ALA A N 1 ATOM 1384 C CA . ALA A 1 176 ? 6.510 -19.701 39.454 1.00 53.86 ? 176 ALA A CA 1 ATOM 1385 C C . ALA A 1 176 ? 5.545 -18.649 38.958 1.00 46.48 ? 176 ALA A C 1 ATOM 1386 O O . ALA A 1 176 ? 4.651 -18.894 38.148 1.00 39.42 ? 176 ALA A O 1 ATOM 1387 C CB . ALA A 1 176 ? 7.760 -19.721 38.592 1.00 53.98 ? 176 ALA A CB 1 ATOM 1388 N N . ARG A 1 177 ? 5.704 -17.453 39.490 1.00 48.49 ? 177 ARG A N 1 ATOM 1389 C CA . ARG A 1 177 ? 4.864 -16.333 39.085 1.00 42.98 ? 177 ARG A CA 1 ATOM 1390 C C . ARG A 1 177 ? 5.087 -16.017 37.605 1.00 47.49 ? 177 ARG A C 1 ATOM 1391 O O . ARG A 1 177 ? 6.230 -16.032 37.120 1.00 42.91 ? 177 ARG A O 1 ATOM 1392 C CB . ARG A 1 177 ? 5.236 -15.170 39.946 1.00 42.85 ? 177 ARG A CB 1 ATOM 1393 C CG . ARG A 1 177 ? 4.653 -13.846 39.567 1.00 42.49 ? 177 ARG A CG 1 ATOM 1394 C CD . ARG A 1 177 ? 4.520 -13.194 40.889 1.00 46.05 ? 177 ARG A CD 1 ATOM 1395 N NE . ARG A 1 177 ? 4.382 -11.780 40.892 1.00 50.71 ? 177 ARG A NE 1 ATOM 1396 C CZ . ARG A 1 177 ? 3.955 -11.126 41.957 1.00 52.00 ? 177 ARG A CZ 1 ATOM 1397 N NH1 . ARG A 1 177 ? 3.596 -11.814 43.051 1.00 49.20 ? 177 ARG A NH1 1 ATOM 1398 N NH2 . ARG A 1 177 ? 3.847 -9.797 41.916 1.00 53.27 ? 177 ARG A NH2 1 ATOM 1399 N N . GLU A 1 178 ? 3.991 -15.825 36.868 1.00 41.75 ? 178 GLU A N 1 ATOM 1400 C CA . GLU A 1 178 ? 4.102 -15.576 35.440 1.00 42.03 ? 178 GLU A CA 1 ATOM 1401 C C . GLU A 1 178 ? 3.358 -14.288 35.090 1.00 34.48 ? 178 GLU A C 1 ATOM 1402 O O . GLU A 1 178 ? 2.147 -14.170 35.321 1.00 41.75 ? 178 GLU A O 1 ATOM 1403 C CB . GLU A 1 178 ? 3.575 -16.787 34.626 1.00 39.90 ? 178 GLU A CB 1 ATOM 1404 C CG . GLU A 1 178 ? 4.234 -18.139 34.919 1.00 39.09 ? 178 GLU A CG 1 ATOM 1405 C CD . GLU A 1 178 ? 5.709 -18.164 34.583 1.00 41.52 ? 178 GLU A CD 1 ATOM 1406 O OE1 . GLU A 1 178 ? 6.222 -17.109 34.171 1.00 41.22 ? 178 GLU A OE1 1 ATOM 1407 O OE2 . GLU A 1 178 ? 6.365 -19.227 34.734 1.00 44.42 ? 178 GLU A OE2 1 ATOM 1408 N N . GLN A 1 179 ? 4.096 -13.311 34.583 1.00 33.24 ? 179 GLN A N 1 ATOM 1409 C CA . GLN A 1 179 ? 3.556 -11.974 34.268 1.00 35.96 ? 179 GLN A CA 1 ATOM 1410 C C . GLN A 1 179 ? 2.743 -12.010 33.000 1.00 32.98 ? 179 GLN A C 1 ATOM 1411 O O . GLN A 1 179 ? 2.971 -12.860 32.139 1.00 34.40 ? 179 GLN A O 1 ATOM 1412 C CB . GLN A 1 179 ? 4.674 -10.897 34.140 1.00 33.87 ? 179 GLN A CB 1 ATOM 1413 C CG . GLN A 1 179 ? 5.303 -10.559 35.470 1.00 38.39 ? 179 GLN A CG 1 ATOM 1414 C CD . GLN A 1 179 ? 6.302 -11.606 35.933 1.00 36.39 ? 179 GLN A CD 1 ATOM 1415 O OE1 . GLN A 1 179 ? 6.945 -12.295 35.105 1.00 36.96 ? 179 GLN A OE1 1 ATOM 1416 N NE2 . GLN A 1 179 ? 6.501 -11.691 37.246 1.00 35.70 ? 179 GLN A NE2 1 ATOM 1417 N N . ILE A 1 180 ? 1.805 -11.072 32.873 1.00 36.68 ? 180 ILE A N 1 ATOM 1418 C CA . ILE A 1 180 ? 0.861 -11.037 31.707 1.00 36.09 ? 180 ILE A CA 1 ATOM 1419 C C . ILE A 1 180 ? 1.324 -10.143 30.551 1.00 39.40 ? 180 ILE A C 1 ATOM 1420 O O . ILE A 1 180 ? 1.911 -9.089 30.806 1.00 36.13 ? 180 ILE A O 1 ATOM 1421 C CB . ILE A 1 180 ? -0.515 -10.533 32.182 1.00 39.91 ? 180 ILE A CB 1 ATOM 1422 C CG1 . ILE A 1 180 ? -1.102 -11.502 33.211 1.00 40.37 ? 180 ILE A CG1 1 ATOM 1423 C CG2 . ILE A 1 180 ? -1.493 -10.392 31.003 1.00 41.73 ? 180 ILE A CG2 1 ATOM 1424 C CD1 . ILE A 1 180 ? -1.989 -10.857 34.248 1.00 44.52 ? 180 ILE A CD1 1 ATOM 1425 N N . ASN A 1 181 ? 1.093 -10.598 29.302 1.00 33.86 ? 181 ASN A N 1 ATOM 1426 C CA . ASN A 1 181 ? 1.115 -9.754 28.118 1.00 37.41 ? 181 ASN A CA 1 ATOM 1427 C C . ASN A 1 181 ? -0.343 -9.415 27.864 1.00 35.95 ? 181 ASN A C 1 ATOM 1428 O O . ASN A 1 181 ? -1.129 -10.289 27.536 1.00 38.59 ? 181 ASN A O 1 ATOM 1429 C CB . ASN A 1 181 ? 1.678 -10.480 26.894 1.00 33.58 ? 181 ASN A CB 1 ATOM 1430 C CG . ASN A 1 181 ? 1.926 -9.579 25.712 1.00 34.47 ? 181 ASN A CG 1 ATOM 1431 O OD1 . ASN A 1 181 ? 1.608 -8.389 25.738 1.00 39.50 ? 181 ASN A OD1 1 ATOM 1432 N ND2 . ASN A 1 181 ? 2.528 -10.144 24.648 1.00 34.14 ? 181 ASN A ND2 1 ATOM 1433 N N . ALA A 1 182 ? -0.668 -8.134 27.922 1.00 34.30 ? 182 ALA A N 1 ATOM 1434 C CA . ALA A 1 182 ? -2.049 -7.661 27.805 1.00 34.37 ? 182 ALA A CA 1 ATOM 1435 C C . ALA A 1 182 ? -2.416 -7.326 26.374 1.00 36.13 ? 182 ALA A C 1 ATOM 1436 O O . ALA A 1 182 ? -3.525 -6.910 26.077 1.00 35.13 ? 182 ALA A O 1 ATOM 1437 C CB . ALA A 1 182 ? -2.216 -6.449 28.666 1.00 34.05 ? 182 ALA A CB 1 ATOM 1438 N N . VAL A 1 183 ? -1.470 -7.498 25.470 1.00 35.99 ? 183 VAL A N 1 ATOM 1439 C CA . VAL A 1 183 ? -1.709 -7.079 24.116 1.00 35.22 ? 183 VAL A CA 1 ATOM 1440 C C . VAL A 1 183 ? -1.415 -8.301 23.284 1.00 32.30 ? 183 VAL A C 1 ATOM 1441 O O . VAL A 1 183 ? -0.815 -9.257 23.775 1.00 34.37 ? 183 VAL A O 1 ATOM 1442 C CB . VAL A 1 183 ? -0.790 -5.876 23.862 1.00 43.42 ? 183 VAL A CB 1 ATOM 1443 C CG1 . VAL A 1 183 ? -0.634 -5.593 22.394 1.00 48.56 ? 183 VAL A CG1 1 ATOM 1444 C CG2 . VAL A 1 183 ? -1.344 -4.665 24.614 1.00 38.30 ? 183 VAL A CG2 1 ATOM 1445 N N . THR A 1 184 ? -1.775 -8.288 22.024 1.00 34.85 ? 184 THR A N 1 ATOM 1446 C CA . THR A 1 184 ? -1.504 -9.459 21.196 1.00 32.94 ? 184 THR A CA 1 ATOM 1447 C C . THR A 1 184 ? -0.088 -9.606 20.758 1.00 32.21 ? 184 THR A C 1 ATOM 1448 O O . THR A 1 184 ? 0.478 -8.644 20.247 1.00 33.53 ? 184 THR A O 1 ATOM 1449 C CB . THR A 1 184 ? -2.363 -9.430 19.955 1.00 34.79 ? 184 THR A CB 1 ATOM 1450 O OG1 . THR A 1 184 ? -1.972 -8.347 19.128 1.00 38.49 ? 184 THR A OG1 1 ATOM 1451 C CG2 . THR A 1 184 ? -3.873 -9.315 20.345 1.00 33.41 ? 184 THR A CG2 1 ATOM 1452 N N . SER A 1 185 ? 0.422 -10.837 20.831 1.00 29.72 ? 185 SER A N 1 ATOM 1453 C CA . SER A 1 185 ? 1.808 -11.136 20.448 1.00 33.28 ? 185 SER A CA 1 ATOM 1454 C C . SER A 1 185 ? 2.075 -11.070 18.961 1.00 34.53 ? 185 SER A C 1 ATOM 1455 O O . SER A 1 185 ? 3.229 -10.995 18.521 1.00 31.62 ? 185 SER A O 1 ATOM 1456 C CB . SER A 1 185 ? 2.215 -12.522 20.938 1.00 35.61 ? 185 SER A CB 1 ATOM 1457 O OG . SER A 1 185 ? 2.066 -12.713 22.362 1.00 30.66 ? 185 SER A OG 1 ATOM 1458 N N . PHE A 1 186 ? 1.012 -11.094 18.166 1.00 38.60 ? 186 PHE A N 1 ATOM 1459 C CA . PHE A 1 186 ? 1.159 -11.057 16.716 1.00 38.78 ? 186 PHE A CA 1 ATOM 1460 C C . PHE A 1 186 ? 1.178 -9.628 16.181 1.00 39.23 ? 186 PHE A C 1 ATOM 1461 O O . PHE A 1 186 ? 0.193 -8.900 16.304 1.00 40.07 ? 186 PHE A O 1 ATOM 1462 C CB . PHE A 1 186 ? 0.037 -11.853 16.045 1.00 38.53 ? 186 PHE A CB 1 ATOM 1463 C CG . PHE A 1 186 ? -0.169 -13.221 16.630 1.00 38.09 ? 186 PHE A CG 1 ATOM 1464 C CD1 . PHE A 1 186 ? -1.217 -13.465 17.501 1.00 33.13 ? 186 PHE A CD1 1 ATOM 1465 C CD2 . PHE A 1 186 ? 0.685 -14.262 16.308 1.00 36.65 ? 186 PHE A CD2 1 ATOM 1466 C CE1 . PHE A 1 186 ? -1.410 -14.722 18.041 1.00 34.62 ? 186 PHE A CE1 1 ATOM 1467 C CE2 . PHE A 1 186 ? 0.498 -15.522 16.844 1.00 36.15 ? 186 PHE A CE2 1 ATOM 1468 C CZ . PHE A 1 186 ? -0.552 -15.753 17.712 1.00 32.10 ? 186 PHE A CZ 1 ATOM 1469 N N . LEU A 1 187 ? 2.300 -9.227 15.594 1.00 36.15 ? 187 LEU A N 1 ATOM 1470 C CA . LEU A 1 187 ? 2.421 -7.886 15.035 1.00 38.82 ? 187 LEU A CA 1 ATOM 1471 C C . LEU A 1 187 ? 1.197 -7.552 14.189 1.00 36.44 ? 187 LEU A C 1 ATOM 1472 O O . LEU A 1 187 ? 1.233 -7.653 12.963 1.00 37.69 ? 187 LEU A O 1 ATOM 1473 C CB . LEU A 1 187 ? 3.692 -7.768 14.192 1.00 40.58 ? 187 LEU A CB 1 ATOM 1474 C CG . LEU A 1 187 ? 4.108 -6.352 13.787 1.00 43.46 ? 187 LEU A CG 1 ATOM 1475 C CD1 . LEU A 1 187 ? 4.225 -5.455 15.010 1.00 42.81 ? 187 LEU A CD1 1 ATOM 1476 C CD2 . LEU A 1 187 ? 5.414 -6.377 13.008 1.00 40.72 ? 187 LEU A CD2 1 ATOM 1477 N N . ASP A 1 188 ? 0.113 -7.157 14.850 1.00 39.19 ? 188 ASP A N 1 ATOM 1478 C CA . ASP A 1 188 ? -1.136 -6.861 14.157 1.00 37.10 ? 188 ASP A CA 1 ATOM 1479 C C . ASP A 1 188 ? -1.751 -5.532 14.588 1.00 35.31 ? 188 ASP A C 1 ATOM 1480 O O . ASP A 1 188 ? -2.898 -5.486 15.034 1.00 37.08 ? 188 ASP A O 1 ATOM 1481 C CB . ASP A 1 188 ? -2.143 -7.995 14.364 1.00 39.86 ? 188 ASP A CB 1 ATOM 1482 C CG . ASP A 1 188 ? -2.503 -8.195 15.823 1.00 42.24 ? 188 ASP A CG 1 ATOM 1483 O OD1 . ASP A 1 188 ? -1.982 -7.443 16.674 1.00 43.83 ? 188 ASP A OD1 1 ATOM 1484 O OD2 . ASP A 1 188 ? -3.308 -9.103 16.119 1.00 42.63 ? 188 ASP A OD2 1 ATOM 1485 N N . ALA A 1 189 ? -0.988 -4.453 14.447 1.00 36.23 ? 189 ALA A N 1 ATOM 1486 C CA . ALA A 1 189 ? -1.492 -3.109 14.747 1.00 36.86 ? 189 ALA A CA 1 ATOM 1487 C C . ALA A 1 189 ? -2.571 -3.174 15.833 1.00 42.70 ? 189 ALA A C 1 ATOM 1488 O O . ALA A 1 189 ? -3.579 -2.455 15.766 1.00 40.77 ? 189 ALA A O 1 ATOM 1489 C CB . ALA A 1 189 ? -2.062 -2.455 13.484 1.00 39.25 ? 189 ALA A CB 1 ATOM 1490 N N . SER A 1 190 ? -2.267 -3.856 16.940 1.00 39.93 ? 190 SER A N 1 ATOM 1491 C CA . SER A 1 190 ? -3.198 -3.941 18.031 1.00 35.43 ? 190 SER A CA 1 ATOM 1492 C C . SER A 1 190 ? -3.125 -2.646 18.815 1.00 36.91 ? 190 SER A C 1 ATOM 1493 O O . SER A 1 190 ? -4.103 -2.271 19.517 1.00 33.50 ? 190 SER A O 1 ATOM 1494 C CB . SER A 1 190 ? -2.920 -5.129 18.953 1.00 41.07 ? 190 SER A CB 1 ATOM 1495 O OG . SER A 1 190 ? -1.540 -5.346 19.172 1.00 41.49 ? 190 SER A OG 1 ATOM 1496 N N . LEU A 1 191 ? -2.001 -1.948 18.698 1.00 36.29 ? 191 LEU A N 1 ATOM 1497 C CA . LEU A 1 191 ? -1.862 -0.607 19.292 1.00 36.12 ? 191 LEU A CA 1 ATOM 1498 C C . LEU A 1 191 ? -2.839 0.428 18.707 1.00 37.94 ? 191 LEU A C 1 ATOM 1499 O O . LEU A 1 191 ? -3.142 1.424 19.338 1.00 40.36 ? 191 LEU A O 1 ATOM 1500 C CB . LEU A 1 191 ? -0.385 -0.105 19.236 1.00 36.62 ? 191 LEU A CB 1 ATOM 1501 C CG . LEU A 1 191 ? 0.177 0.618 18.034 1.00 39.57 ? 191 LEU A CG 1 ATOM 1502 C CD1 . LEU A 1 191 ? 1.599 1.068 18.292 1.00 45.78 ? 191 LEU A CD1 1 ATOM 1503 C CD2 . LEU A 1 191 ? 0.086 -0.212 16.766 1.00 44.69 ? 191 LEU A CD2 1 ATOM 1504 N N . VAL A 1 192 ? -3.367 0.155 17.522 1.00 43.70 ? 192 VAL A N 1 ATOM 1505 C CA . VAL A 1 192 ? -4.320 1.044 16.903 1.00 40.38 ? 192 VAL A CA 1 ATOM 1506 C C . VAL A 1 192 ? -5.771 0.625 17.172 1.00 39.95 ? 192 VAL A C 1 ATOM 1507 O O . VAL A 1 192 ? -6.619 1.442 17.435 1.00 39.26 ? 192 VAL A O 1 ATOM 1508 C CB . VAL A 1 192 ? -4.114 1.018 15.389 1.00 41.52 ? 192 VAL A CB 1 ATOM 1509 C CG1 . VAL A 1 192 ? -5.172 1.876 14.722 1.00 42.93 ? 192 VAL A CG1 1 ATOM 1510 C CG2 . VAL A 1 192 ? -2.737 1.522 15.035 1.00 42.05 ? 192 VAL A CG2 1 ATOM 1511 N N . TYR A 1 193 ? -6.037 -0.658 17.072 1.00 39.80 ? 193 TYR A N 1 ATOM 1512 C CA . TYR A 1 193 ? -7.399 -1.183 17.125 1.00 43.29 ? 193 TYR A CA 1 ATOM 1513 C C . TYR A 1 193 ? -7.797 -1.648 18.502 1.00 44.93 ? 193 TYR A C 1 ATOM 1514 O O . TYR A 1 193 ? -8.989 -1.839 18.744 1.00 44.80 ? 193 TYR A O 1 ATOM 1515 C CB . TYR A 1 193 ? -7.531 -2.345 16.171 1.00 38.55 ? 193 TYR A CB 1 ATOM 1516 C CG . TYR A 1 193 ? -7.241 -1.897 14.803 1.00 37.73 ? 193 TYR A CG 1 ATOM 1517 C CD1 . TYR A 1 193 ? -6.024 -2.165 14.183 1.00 43.17 ? 193 TYR A CD1 1 ATOM 1518 C CD2 . TYR A 1 193 ? -8.175 -1.127 14.124 1.00 41.64 ? 193 TYR A CD2 1 ATOM 1519 C CE1 . TYR A 1 193 ? -5.782 -1.715 12.875 1.00 44.02 ? 193 TYR A CE1 1 ATOM 1520 C CE2 . TYR A 1 193 ? -7.936 -0.662 12.844 1.00 41.44 ? 193 TYR A CE2 1 ATOM 1521 C CZ . TYR A 1 193 ? -6.772 -0.964 12.216 1.00 41.95 ? 193 TYR A CZ 1 ATOM 1522 O OH . TYR A 1 193 ? -6.580 -0.423 10.955 1.00 49.89 ? 193 TYR A OH 1 ATOM 1523 N N . GLY A 1 194 ? -6.804 -1.837 19.378 1.00 38.98 ? 194 GLY A N 1 ATOM 1524 C CA . GLY A 1 194 ? -7.029 -2.382 20.707 1.00 35.20 ? 194 GLY A CA 1 ATOM 1525 C C . GLY A 1 194 ? -6.892 -3.904 20.657 1.00 33.13 ? 194 GLY A C 1 ATOM 1526 O O . GLY A 1 194 ? -6.987 -4.481 19.614 1.00 35.97 ? 194 GLY A O 1 ATOM 1527 N N . SER A 1 195 ? -6.646 -4.525 21.806 1.00 42.18 ? 195 SER A N 1 ATOM 1528 C CA . SER A 1 195 ? -6.530 -6.002 21.971 1.00 38.99 ? 195 SER A CA 1 ATOM 1529 C C . SER A 1 195 ? -7.720 -6.621 22.749 1.00 40.89 ? 195 SER A C 1 ATOM 1530 O O . SER A 1 195 ? -7.719 -7.811 23.115 1.00 41.87 ? 195 SER A O 1 ATOM 1531 C CB . SER A 1 195 ? -5.209 -6.321 22.714 1.00 41.24 ? 195 SER A CB 1 ATOM 1532 O OG . SER A 1 195 ? -4.099 -6.132 21.868 1.00 40.60 ? 195 SER A OG 1 ATOM 1533 N N . GLU A 1 196 ? -8.731 -5.818 23.011 1.00 44.36 ? 196 GLU A N 1 ATOM 1534 C CA . GLU A 1 196 ? -9.927 -6.287 23.735 1.00 46.70 ? 196 GLU A CA 1 ATOM 1535 C C . GLU A 1 196 ? -11.186 -5.702 23.071 1.00 47.82 ? 196 GLU A C 1 ATOM 1536 O O . GLU A 1 196 ? -11.137 -4.615 22.465 1.00 47.73 ? 196 GLU A O 1 ATOM 1537 C CB . GLU A 1 196 ? -9.827 -5.934 25.210 1.00 49.28 ? 196 GLU A CB 1 ATOM 1538 C CG . GLU A 1 196 ? -8.990 -4.688 25.451 1.00 55.22 ? 196 GLU A CG 1 ATOM 1539 C CD . GLU A 1 196 ? -8.915 -4.231 26.901 1.00 61.18 ? 196 GLU A CD 1 ATOM 1540 O OE1 . GLU A 1 196 ? -8.865 -2.978 27.131 1.00 54.31 ? 196 GLU A OE1 1 ATOM 1541 O OE2 . GLU A 1 196 ? -8.877 -5.119 27.783 1.00 58.09 ? 196 GLU A OE2 1 ATOM 1542 N N . PRO A 1 197 ? -12.307 -6.422 23.142 1.00 49.49 ? 197 PRO A N 1 ATOM 1543 C CA . PRO A 1 197 ? -13.504 -6.036 22.372 1.00 50.49 ? 197 PRO A CA 1 ATOM 1544 C C . PRO A 1 197 ? -14.055 -4.683 22.770 1.00 50.87 ? 197 PRO A C 1 ATOM 1545 O O . PRO A 1 197 ? -14.304 -3.813 21.936 1.00 58.37 ? 197 PRO A O 1 ATOM 1546 C CB . PRO A 1 197 ? -14.512 -7.133 22.728 1.00 50.89 ? 197 PRO A CB 1 ATOM 1547 C CG . PRO A 1 197 ? -13.652 -8.289 23.136 1.00 54.53 ? 197 PRO A CG 1 ATOM 1548 C CD . PRO A 1 197 ? -12.497 -7.704 23.844 1.00 53.04 ? 197 PRO A CD 1 HETATM 1549 N N . SEP A 1 198 ? -14.252 -4.567 24.062 1.00 49.19 ? 198 SEP A N 1 HETATM 1550 C CA . SEP A 1 198 ? -14.647 -3.388 24.763 1.00 54.49 ? 198 SEP A CA 1 HETATM 1551 C CB . SEP A 1 198 ? -14.188 -3.906 26.142 1.00 58.83 ? 198 SEP A CB 1 HETATM 1552 O OG . SEP A 1 198 ? -14.435 -5.379 26.209 1.00 64.44 ? 198 SEP A OG 1 HETATM 1553 C C . SEP A 1 198 ? -13.995 -2.128 24.207 1.00 58.16 ? 198 SEP A C 1 HETATM 1554 O O . SEP A 1 198 ? -14.647 -1.082 24.048 1.00 55.89 ? 198 SEP A O 1 HETATM 1555 P P . SEP A 1 198 ? -13.585 -6.532 27.025 1.00 38.54 ? 198 SEP A P 1 HETATM 1556 O O1P . SEP A 1 198 ? -12.331 -6.399 26.188 1.00 66.15 ? 198 SEP A O1P 1 HETATM 1557 O O2P . SEP A 1 198 ? -13.331 -6.005 28.412 1.00 45.00 ? 198 SEP A O2P 1 HETATM 1558 O O3P . SEP A 1 198 ? -14.189 -7.883 26.884 1.00 65.61 ? 198 SEP A O3P 1 ATOM 1559 N N . LEU A 1 199 ? -12.708 -2.208 23.888 1.00 48.62 ? 199 LEU A N 1 ATOM 1560 C CA . LEU A 1 199 ? -11.989 -1.035 23.464 1.00 48.77 ? 199 LEU A CA 1 ATOM 1561 C C . LEU A 1 199 ? -12.049 -0.915 21.971 1.00 49.29 ? 199 LEU A C 1 ATOM 1562 O O . LEU A 1 199 ? -12.347 0.150 21.438 1.00 49.34 ? 199 LEU A O 1 ATOM 1563 C CB . LEU A 1 199 ? -10.543 -1.093 23.950 1.00 47.58 ? 199 LEU A CB 1 ATOM 1564 C CG . LEU A 1 199 ? -9.607 0.026 23.505 1.00 51.21 ? 199 LEU A CG 1 ATOM 1565 C CD1 . LEU A 1 199 ? -9.870 1.335 24.264 1.00 49.47 ? 199 LEU A CD1 1 ATOM 1566 C CD2 . LEU A 1 199 ? -8.146 -0.443 23.692 1.00 49.47 ? 199 LEU A CD2 1 ATOM 1567 N N . ALA A 1 200 ? -11.771 -2.006 21.286 1.00 47.26 ? 200 ALA A N 1 ATOM 1568 C CA . ALA A 1 200 ? -11.836 -1.979 19.848 1.00 52.69 ? 200 ALA A CA 1 ATOM 1569 C C . ALA A 1 200 ? -13.157 -1.328 19.363 1.00 56.60 ? 200 ALA A C 1 ATOM 1570 O O . ALA A 1 200 ? -13.141 -0.524 18.442 1.00 54.81 ? 200 ALA A O 1 ATOM 1571 C CB . ALA A 1 200 ? -11.664 -3.384 19.283 1.00 48.38 ? 200 ALA A CB 1 ATOM 1572 N N . SER A 1 201 ? -14.286 -1.653 19.996 1.00 53.87 ? 201 SER A N 1 ATOM 1573 C CA . SER A 1 201 ? -15.560 -1.067 19.579 1.00 52.66 ? 201 SER A CA 1 ATOM 1574 C C . SER A 1 201 ? -15.621 0.370 20.014 1.00 52.49 ? 201 SER A C 1 ATOM 1575 O O . SER A 1 201 ? -15.903 1.237 19.196 1.00 59.57 ? 201 SER A O 1 ATOM 1576 C CB . SER A 1 201 ? -16.766 -1.814 20.163 1.00 61.80 ? 201 SER A CB 1 ATOM 1577 O OG . SER A 1 201 ? -17.948 -1.041 19.987 1.00 63.28 ? 201 SER A OG 1 ATOM 1578 N N . ARG A 1 202 ? -15.321 0.645 21.278 1.00 46.90 ? 202 ARG A N 1 ATOM 1579 C CA . ARG A 1 202 ? -15.293 2.023 21.762 1.00 52.31 ? 202 ARG A CA 1 ATOM 1580 C C . ARG A 1 202 ? -14.467 2.924 20.839 1.00 51.93 ? 202 ARG A C 1 ATOM 1581 O O . ARG A 1 202 ? -14.718 4.125 20.738 1.00 51.36 ? 202 ARG A O 1 ATOM 1582 C CB . ARG A 1 202 ? -14.737 2.081 23.186 1.00 57.90 ? 202 ARG A CB 1 ATOM 1583 C CG . ARG A 1 202 ? -14.469 3.489 23.691 1.00 60.89 ? 202 ARG A CG 1 ATOM 1584 C CD . ARG A 1 202 ? -13.836 3.469 25.073 1.00 67.70 ? 202 ARG A CD 1 ATOM 1585 N NE . ARG A 1 202 ? -13.636 4.816 25.602 1.00 70.91 ? 202 ARG A NE 1 ATOM 1586 C CZ . ARG A 1 202 ? -13.478 5.096 26.891 1.00 73.45 ? 202 ARG A CZ 1 ATOM 1587 N NH1 . ARG A 1 202 ? -13.495 4.121 27.791 1.00 69.17 ? 202 ARG A NH1 1 ATOM 1588 N NH2 . ARG A 1 202 ? -13.301 6.350 27.283 1.00 81.92 ? 202 ARG A NH2 1 ATOM 1589 N N . LEU A 1 203 ? -13.484 2.329 20.170 1.00 52.41 ? 203 LEU A N 1 ATOM 1590 C CA . LEU A 1 203 ? -12.594 3.049 19.247 1.00 52.54 ? 203 LEU A CA 1 ATOM 1591 C C . LEU A 1 203 ? -13.260 3.272 17.920 1.00 58.08 ? 203 LEU A C 1 ATOM 1592 O O . LEU A 1 203 ? -12.818 4.108 17.118 1.00 59.03 ? 203 LEU A O 1 ATOM 1593 C CB . LEU A 1 203 ? -11.295 2.238 18.970 1.00 49.07 ? 203 LEU A CB 1 ATOM 1594 C CG . LEU A 1 203 ? -10.049 2.497 19.808 1.00 51.43 ? 203 LEU A CG 1 ATOM 1595 C CD1 . LEU A 1 203 ? -10.378 2.797 21.256 1.00 58.12 ? 203 LEU A CD1 1 ATOM 1596 C CD2 . LEU A 1 203 ? -9.037 1.372 19.705 1.00 50.73 ? 203 LEU A CD2 1 ATOM 1597 N N . GLN A 1 204 ? -14.289 2.488 17.647 1.00 59.55 ? 204 GLN A N 1 ATOM 1598 C CA . GLN A 1 204 ? -14.905 2.530 16.340 1.00 65.46 ? 204 GLN A CA 1 ATOM 1599 C C . GLN A 1 204 ? -15.974 3.626 16.214 1.00 63.87 ? 204 GLN A C 1 ATOM 1600 O O . GLN A 1 204 ? -16.544 4.103 17.219 1.00 60.43 ? 204 GLN A O 1 ATOM 1601 C CB . GLN A 1 204 ? -15.489 1.167 15.987 1.00 65.22 ? 204 GLN A CB 1 ATOM 1602 C CG . GLN A 1 204 ? -14.557 0.302 15.172 1.00 61.99 ? 204 GLN A CG 1 ATOM 1603 C CD . GLN A 1 204 ? -15.244 -0.957 14.709 1.00 63.14 ? 204 GLN A CD 1 ATOM 1604 O OE1 . GLN A 1 204 ? -15.760 -1.037 13.580 1.00 53.96 ? 204 GLN A OE1 1 ATOM 1605 N NE2 . GLN A 1 204 ? -15.281 -1.945 15.588 1.00 64.30 ? 204 GLN A NE2 1 ATOM 1606 N N . ASN A 1 205 ? -16.194 4.024 14.962 1.00 63.72 ? 205 ASN A N 1 ATOM 1607 C CA . ASN A 1 205 ? -17.310 4.879 14.568 1.00 67.22 ? 205 ASN A CA 1 ATOM 1608 C C . ASN A 1 205 ? -18.462 3.978 14.144 1.00 63.94 ? 205 ASN A C 1 ATOM 1609 O O . ASN A 1 205 ? -18.526 3.477 13.010 1.00 63.72 ? 205 ASN A O 1 ATOM 1610 C CB . ASN A 1 205 ? -16.911 5.843 13.439 1.00 69.32 ? 205 ASN A CB 1 ATOM 1611 C CG . ASN A 1 205 ? -17.970 6.913 13.175 1.00 76.24 ? 205 ASN A CG 1 ATOM 1612 O OD1 . ASN A 1 205 ? -19.172 6.650 13.269 1.00 63.74 ? 205 ASN A OD1 1 ATOM 1613 N ND2 . ASN A 1 205 ? -17.526 8.128 12.842 1.00 76.40 ? 205 ASN A ND2 1 ATOM 1614 N N . LEU A 1 206 ? -19.345 3.747 15.103 1.00 64.97 ? 206 LEU A N 1 ATOM 1615 C CA . LEU A 1 206 ? -20.562 2.963 14.896 1.00 68.43 ? 206 LEU A CA 1 ATOM 1616 C C . LEU A 1 206 ? -21.761 3.926 14.865 1.00 65.12 ? 206 LEU A C 1 ATOM 1617 O O . LEU A 1 206 ? -22.815 3.681 15.466 1.00 67.13 ? 206 LEU A O 1 ATOM 1618 C CB . LEU A 1 206 ? -20.683 1.919 16.015 1.00 65.39 ? 206 LEU A CB 1 ATOM 1619 C CG . LEU A 1 206 ? -19.407 1.089 16.201 1.00 59.36 ? 206 LEU A CG 1 ATOM 1620 C CD1 . LEU A 1 206 ? -19.608 0.090 17.318 1.00 58.55 ? 206 LEU A CD1 1 ATOM 1621 C CD2 . LEU A 1 206 ? -19.005 0.394 14.902 1.00 56.09 ? 206 LEU A CD2 1 ATOM 1622 N N . SER A 1 207 ? -21.538 5.054 14.203 1.00 62.92 ? 207 SER A N 1 ATOM 1623 C CA . SER A 1 207 ? -22.545 6.020 13.914 1.00 60.66 ? 207 SER A CA 1 ATOM 1624 C C . SER A 1 207 ? -22.835 5.965 12.433 1.00 66.56 ? 207 SER A C 1 ATOM 1625 O O . SER A 1 207 ? -23.856 6.475 11.988 1.00 68.20 ? 207 SER A O 1 ATOM 1626 C CB . SER A 1 207 ? -22.053 7.410 14.288 1.00 66.86 ? 207 SER A CB 1 ATOM 1627 O OG . SER A 1 207 ? -21.814 7.513 15.681 1.00 57.38 ? 207 SER A OG 1 ATOM 1628 N N . SER A 1 208 ? -21.949 5.326 11.676 1.00 70.52 ? 208 SER A N 1 ATOM 1629 C CA . SER A 1 208 ? -21.981 5.364 10.222 1.00 69.21 ? 208 SER A CA 1 ATOM 1630 C C . SER A 1 208 ? -21.268 4.130 9.641 1.00 69.05 ? 208 SER A C 1 ATOM 1631 O O . SER A 1 208 ? -20.318 3.641 10.230 1.00 72.96 ? 208 SER A O 1 ATOM 1632 C CB . SER A 1 208 ? -21.318 6.657 9.734 1.00 70.98 ? 208 SER A CB 1 ATOM 1633 O OG . SER A 1 208 ? -20.005 6.810 10.254 1.00 68.36 ? 208 SER A OG 1 ATOM 1634 N N . PRO A 1 209 ? -21.715 3.628 8.480 1.00 76.57 ? 209 PRO A N 1 ATOM 1635 C CA . PRO A 1 209 ? -21.241 2.370 7.919 1.00 74.61 ? 209 PRO A CA 1 ATOM 1636 C C . PRO A 1 209 ? -20.083 2.549 6.924 1.00 70.76 ? 209 PRO A C 1 ATOM 1637 O O . PRO A 1 209 ? -20.085 1.970 5.827 1.00 65.85 ? 209 PRO A O 1 ATOM 1638 C CB . PRO A 1 209 ? -22.485 1.868 7.194 1.00 77.87 ? 209 PRO A CB 1 ATOM 1639 C CG . PRO A 1 209 ? -23.039 3.129 6.608 1.00 82.70 ? 209 PRO A CG 1 ATOM 1640 C CD . PRO A 1 209 ? -22.690 4.252 7.564 1.00 85.16 ? 209 PRO A CD 1 ATOM 1641 N N . LEU A 1 210 ? -19.088 3.326 7.324 1.00 69.83 ? 210 LEU A N 1 ATOM 1642 C CA . LEU A 1 210 ? -17.959 3.643 6.460 1.00 68.23 ? 210 LEU A CA 1 ATOM 1643 C C . LEU A 1 210 ? -16.667 2.916 6.901 1.00 68.75 ? 210 LEU A C 1 ATOM 1644 O O . LEU A 1 210 ? -15.648 2.946 6.200 1.00 66.68 ? 210 LEU A O 1 ATOM 1645 C CB . LEU A 1 210 ? -17.776 5.161 6.452 1.00 69.45 ? 210 LEU A CB 1 ATOM 1646 C CG . LEU A 1 210 ? -19.001 6.012 6.023 1.00 71.14 ? 210 LEU A CG 1 ATOM 1647 C CD1 . LEU A 1 210 ? -18.967 7.403 6.678 1.00 66.24 ? 210 LEU A CD1 1 ATOM 1648 C CD2 . LEU A 1 210 ? -19.103 6.121 4.501 1.00 61.55 ? 210 LEU A CD2 1 ATOM 1649 N N . GLY A 1 211 ? -16.731 2.247 8.053 1.00 67.50 ? 211 GLY A N 1 ATOM 1650 C CA . GLY A 1 211 ? -15.623 1.448 8.579 1.00 65.63 ? 211 GLY A CA 1 ATOM 1651 C C . GLY A 1 211 ? -14.525 2.295 9.198 1.00 60.30 ? 211 GLY A C 1 ATOM 1652 O O . GLY A 1 211 ? -13.353 1.929 9.161 1.00 56.68 ? 211 GLY A O 1 ATOM 1653 N N . LEU A 1 212 ? -14.917 3.432 9.757 1.00 62.94 ? 212 LEU A N 1 ATOM 1654 C CA . LEU A 1 212 ? -13.977 4.461 10.181 1.00 61.51 ? 212 LEU A CA 1 ATOM 1655 C C . LEU A 1 212 ? -13.755 4.312 11.689 1.00 63.05 ? 212 LEU A C 1 ATOM 1656 O O . LEU A 1 212 ? -14.635 3.795 12.433 1.00 48.57 ? 212 LEU A O 1 ATOM 1657 C CB . LEU A 1 212 ? -14.516 5.882 9.886 1.00 60.81 ? 212 LEU A CB 1 ATOM 1658 C CG . LEU A 1 212 ? -14.850 6.361 8.456 1.00 62.84 ? 212 LEU A CG 1 ATOM 1659 C CD1 . LEU A 1 212 ? -15.299 7.833 8.468 1.00 55.36 ? 212 LEU A CD1 1 ATOM 1660 C CD2 . LEU A 1 212 ? -13.706 6.148 7.463 1.00 61.72 ? 212 LEU A CD2 1 ATOM 1661 N N . MET A 1 213 ? -12.578 4.781 12.117 1.00 55.02 ? 213 MET A N 1 ATOM 1662 C CA . MET A 1 213 ? -12.262 4.871 13.513 1.00 50.29 ? 213 MET A CA 1 ATOM 1663 C C . MET A 1 213 ? -12.743 6.227 13.976 1.00 54.26 ? 213 MET A C 1 ATOM 1664 O O . MET A 1 213 ? -12.767 7.175 13.197 1.00 50.58 ? 213 MET A O 1 ATOM 1665 C CB . MET A 1 213 ? -10.754 4.811 13.735 1.00 50.68 ? 213 MET A CB 1 ATOM 1666 C CG . MET A 1 213 ? -10.038 3.586 13.201 1.00 54.09 ? 213 MET A CG 1 ATOM 1667 S SD . MET A 1 213 ? -10.664 2.021 13.810 1.00 53.81 ? 213 MET A SD 1 ATOM 1668 C CE . MET A 1 213 ? -10.425 2.287 15.553 1.00 47.92 ? 213 MET A CE 1 ATOM 1669 N N . ALA A 1 214 ? -13.042 6.309 15.265 1.00 52.76 ? 214 ALA A N 1 ATOM 1670 C CA . ALA A 1 214 ? -13.569 7.506 15.894 1.00 58.34 ? 214 ALA A CA 1 ATOM 1671 C C . ALA A 1 214 ? -12.524 8.614 15.959 1.00 63.52 ? 214 ALA A C 1 ATOM 1672 O O . ALA A 1 214 ? -11.354 8.369 16.333 1.00 52.66 ? 214 ALA A O 1 ATOM 1673 C CB . ALA A 1 214 ? -14.053 7.177 17.295 1.00 61.90 ? 214 ALA A CB 1 ATOM 1674 N N . VAL A 1 215 ? -12.945 9.834 15.606 1.00 57.95 ? 215 VAL A N 1 ATOM 1675 C CA . VAL A 1 215 ? -12.025 10.938 15.586 1.00 53.54 ? 215 VAL A CA 1 ATOM 1676 C C . VAL A 1 215 ? -12.424 12.044 16.529 1.00 56.91 ? 215 VAL A C 1 ATOM 1677 O O . VAL A 1 215 ? -13.572 12.167 16.995 1.00 55.95 ? 215 VAL A O 1 ATOM 1678 C CB . VAL A 1 215 ? -11.764 11.469 14.167 1.00 56.39 ? 215 VAL A CB 1 ATOM 1679 C CG1 . VAL A 1 215 ? -11.411 10.314 13.242 1.00 50.83 ? 215 VAL A CG1 1 ATOM 1680 C CG2 . VAL A 1 215 ? -12.953 12.281 13.650 1.00 56.33 ? 215 VAL A CG2 1 ATOM 1681 N N . ASN A 1 216 ? -11.411 12.821 16.860 1.00 56.51 ? 216 ASN A N 1 ATOM 1682 C CA . ASN A 1 216 ? -11.618 13.970 17.669 1.00 60.67 ? 216 ASN A CA 1 ATOM 1683 C C . ASN A 1 216 ? -12.668 14.880 17.033 1.00 55.58 ? 216 ASN A C 1 ATOM 1684 O O . ASN A 1 216 ? -12.558 15.245 15.855 1.00 60.06 ? 216 ASN A O 1 ATOM 1685 C CB . ASN A 1 216 ? -10.317 14.706 17.852 1.00 57.80 ? 216 ASN A CB 1 ATOM 1686 C CG . ASN A 1 216 ? -10.267 15.415 19.168 1.00 58.46 ? 216 ASN A CG 1 ATOM 1687 O OD1 . ASN A 1 216 ? -11.030 16.345 19.397 1.00 53.50 ? 216 ASN A OD1 1 ATOM 1688 N ND2 . ASN A 1 216 ? -9.385 14.968 20.054 1.00 57.25 ? 216 ASN A ND2 1 ATOM 1689 N N . GLN A 1 217 ? -13.681 15.224 17.820 1.00 57.02 ? 217 GLN A N 1 ATOM 1690 C CA . GLN A 1 217 ? -14.677 16.211 17.410 1.00 61.66 ? 217 GLN A CA 1 ATOM 1691 C C . GLN A 1 217 ? -14.496 17.561 18.129 1.00 62.91 ? 217 GLN A C 1 ATOM 1692 O O . GLN A 1 217 ? -15.231 18.488 17.853 1.00 72.72 ? 217 GLN A O 1 ATOM 1693 C CB . GLN A 1 217 ? -16.112 15.653 17.573 1.00 61.66 ? 217 GLN A CB 1 ATOM 1694 C CG . GLN A 1 217 ? -16.467 14.475 16.646 1.00 55.31 ? 217 GLN A CG 1 ATOM 1695 C CD . GLN A 1 217 ? -16.265 14.765 15.152 1.00 66.23 ? 217 GLN A CD 1 ATOM 1696 O OE1 . GLN A 1 217 ? -16.423 15.900 14.695 1.00 66.97 ? 217 GLN A OE1 1 ATOM 1697 N NE2 . GLN A 1 217 ? -15.920 13.725 14.378 1.00 67.12 ? 217 GLN A NE2 1 ATOM 1698 N N . GLU A 1 218 ? -13.456 17.659 18.952 1.00 67.31 ? 218 GLU A N 1 ATOM 1699 C CA . GLU A 1 218 ? -13.097 18.912 19.609 1.00 67.63 ? 218 GLU A CA 1 ATOM 1700 C C . GLU A 1 218 ? -11.998 19.687 18.867 1.00 70.63 ? 218 GLU A C 1 ATOM 1701 O O . GLU A 1 218 ? -12.060 20.913 18.775 1.00 76.22 ? 218 GLU A O 1 ATOM 1702 C CB . GLU A 1 218 ? -12.668 18.652 21.055 1.00 67.96 ? 218 GLU A CB 1 ATOM 1703 C CG . GLU A 1 218 ? -13.825 18.471 22.023 1.00 75.74 ? 218 GLU A CG 1 ATOM 1704 C CD . GLU A 1 218 ? -13.363 18.168 23.435 1.00 77.01 ? 218 GLU A CD 1 ATOM 1705 O OE1 . GLU A 1 218 ? -12.159 17.893 23.621 1.00 78.24 ? 218 GLU A OE1 1 ATOM 1706 O OE2 . GLU A 1 218 ? -14.203 18.207 24.358 1.00 79.71 ? 218 GLU A OE2 1 ATOM 1707 N N . ALA A 1 219 ? -10.996 18.979 18.347 1.00 69.31 ? 219 ALA A N 1 ATOM 1708 C CA . ALA A 1 219 ? -9.883 19.623 17.696 1.00 64.23 ? 219 ALA A CA 1 ATOM 1709 C C . ALA A 1 219 ? -9.614 18.972 16.367 1.00 61.49 ? 219 ALA A C 1 ATOM 1710 O O . ALA A 1 219 ? -9.995 17.824 16.141 1.00 64.51 ? 219 ALA A O 1 ATOM 1711 C CB . ALA A 1 219 ? -8.667 19.547 18.588 1.00 65.24 ? 219 ALA A CB 1 ATOM 1712 N N . TRP A 1 220 ? -8.968 19.725 15.485 1.00 60.33 ? 220 TRP A N 1 ATOM 1713 C CA . TRP A 1 220 ? -8.670 19.271 14.129 1.00 64.98 ? 220 TRP A CA 1 ATOM 1714 C C . TRP A 1 220 ? -7.328 19.793 13.711 1.00 57.03 ? 220 TRP A C 1 ATOM 1715 O O . TRP A 1 220 ? -6.789 20.696 14.341 1.00 60.14 ? 220 TRP A O 1 ATOM 1716 C CB . TRP A 1 220 ? -9.747 19.743 13.158 1.00 70.55 ? 220 TRP A CB 1 ATOM 1717 C CG . TRP A 1 220 ? -10.941 18.908 13.286 1.00 72.14 ? 220 TRP A CG 1 ATOM 1718 C CD1 . TRP A 1 220 ? -11.908 19.014 14.236 1.00 73.47 ? 220 TRP A CD1 1 ATOM 1719 C CD2 . TRP A 1 220 ? -11.278 17.770 12.481 1.00 76.80 ? 220 TRP A CD2 1 ATOM 1720 N NE1 . TRP A 1 220 ? -12.842 18.022 14.067 1.00 82.70 ? 220 TRP A NE1 1 ATOM 1721 C CE2 . TRP A 1 220 ? -12.480 17.243 12.994 1.00 84.62 ? 220 TRP A CE2 1 ATOM 1722 C CE3 . TRP A 1 220 ? -10.684 17.148 11.374 1.00 75.30 ? 220 TRP A CE3 1 ATOM 1723 C CZ2 . TRP A 1 220 ? -13.111 16.117 12.430 1.00 80.26 ? 220 TRP A CZ2 1 ATOM 1724 C CZ3 . TRP A 1 220 ? -11.312 16.038 10.813 1.00 76.40 ? 220 TRP A CZ3 1 ATOM 1725 C CH2 . TRP A 1 220 ? -12.513 15.534 11.345 1.00 77.21 ? 220 TRP A CH2 1 ATOM 1726 N N . ASP A 1 221 ? -6.774 19.209 12.666 1.00 60.86 ? 221 ASP A N 1 ATOM 1727 C CA . ASP A 1 221 ? -5.435 19.593 12.211 1.00 63.21 ? 221 ASP A CA 1 ATOM 1728 C C . ASP A 1 221 ? -5.459 19.892 10.713 1.00 64.93 ? 221 ASP A C 1 ATOM 1729 O O . ASP A 1 221 ? -5.297 18.984 9.905 1.00 62.39 ? 221 ASP A O 1 ATOM 1730 C CB . ASP A 1 221 ? -4.478 18.457 12.537 1.00 60.00 ? 221 ASP A CB 1 ATOM 1731 C CG . ASP A 1 221 ? -3.080 18.708 12.050 1.00 66.72 ? 221 ASP A CG 1 ATOM 1732 O OD1 . ASP A 1 221 ? -2.380 19.678 12.451 1.00 60.02 ? 221 ASP A OD1 1 ATOM 1733 O OD2 . ASP A 1 221 ? -2.686 17.903 11.212 1.00 62.79 ? 221 ASP A OD2 1 ATOM 1734 N N . HIS A 1 222 ? -5.684 21.160 10.348 1.00 72.06 ? 222 HIS A N 1 ATOM 1735 C CA . HIS A 1 222 ? -5.882 21.562 8.937 1.00 72.13 ? 222 HIS A CA 1 ATOM 1736 C C . HIS A 1 222 ? -6.915 20.668 8.279 1.00 74.97 ? 222 HIS A C 1 ATOM 1737 O O . HIS A 1 222 ? -6.720 20.248 7.135 1.00 82.60 ? 222 HIS A O 1 ATOM 1738 C CB . HIS A 1 222 ? -4.594 21.461 8.089 1.00 72.20 ? 222 HIS A CB 1 ATOM 1739 C CG . HIS A 1 222 ? -3.452 22.269 8.607 1.00 76.46 ? 222 HIS A CG 1 ATOM 1740 N ND1 . HIS A 1 222 ? -2.271 22.416 7.910 1.00 72.13 ? 222 HIS A ND1 1 ATOM 1741 C CD2 . HIS A 1 222 ? -3.308 22.975 9.753 1.00 75.14 ? 222 HIS A CD2 1 ATOM 1742 C CE1 . HIS A 1 222 ? -1.443 23.162 8.622 1.00 78.73 ? 222 HIS A CE1 1 ATOM 1743 N NE2 . HIS A 1 222 ? -2.053 23.524 9.734 1.00 76.05 ? 222 HIS A NE2 1 ATOM 1744 N N . GLY A 1 223 ? -7.985 20.341 9.003 1.00 75.69 ? 223 GLY A N 1 ATOM 1745 C CA . GLY A 1 223 ? -8.963 19.360 8.531 1.00 75.79 ? 223 GLY A CA 1 ATOM 1746 C C . GLY A 1 223 ? -8.489 17.906 8.553 1.00 71.89 ? 223 GLY A C 1 ATOM 1747 O O . GLY A 1 223 ? -9.168 17.012 8.039 1.00 64.13 ? 223 GLY A O 1 ATOM 1748 N N . LEU A 1 224 ? -7.316 17.650 9.121 1.00 68.42 ? 224 LEU A N 1 ATOM 1749 C CA . LEU A 1 224 ? -6.847 16.290 9.235 1.00 63.00 ? 224 LEU A CA 1 ATOM 1750 C C . LEU A 1 224 ? -7.242 15.861 10.628 1.00 61.96 ? 224 LEU A C 1 ATOM 1751 O O . LEU A 1 224 ? -7.377 16.694 11.534 1.00 59.21 ? 224 LEU A O 1 ATOM 1752 C CB . LEU A 1 224 ? -5.343 16.180 8.977 1.00 66.38 ? 224 LEU A CB 1 ATOM 1753 C CG . LEU A 1 224 ? -4.742 16.833 7.709 1.00 65.55 ? 224 LEU A CG 1 ATOM 1754 C CD1 . LEU A 1 224 ? -3.620 15.978 7.141 1.00 59.32 ? 224 LEU A CD1 1 ATOM 1755 C CD2 . LEU A 1 224 ? -5.774 17.057 6.626 1.00 65.30 ? 224 LEU A CD2 1 ATOM 1756 N N . ALA A 1 225 ? -7.479 14.562 10.782 1.00 58.48 ? 225 ALA A N 1 ATOM 1757 C CA . ALA A 1 225 ? -8.027 14.039 12.024 1.00 56.81 ? 225 ALA A CA 1 ATOM 1758 C C . ALA A 1 225 ? -6.973 13.986 13.130 1.00 53.65 ? 225 ALA A C 1 ATOM 1759 O O . ALA A 1 225 ? -5.744 13.844 12.881 1.00 46.77 ? 225 ALA A O 1 ATOM 1760 C CB . ALA A 1 225 ? -8.633 12.654 11.780 1.00 57.38 ? 225 ALA A CB 1 ATOM 1761 N N . TYR A 1 226 ? -7.473 14.185 14.331 1.00 51.20 ? 226 TYR A N 1 ATOM 1762 C CA . TYR A 1 226 ? -6.786 13.882 15.556 1.00 53.37 ? 226 TYR A CA 1 ATOM 1763 C C . TYR A 1 226 ? -7.478 12.668 16.192 1.00 57.84 ? 226 TYR A C 1 ATOM 1764 O O . TYR A 1 226 ? -8.659 12.405 15.913 1.00 58.11 ? 226 TYR A O 1 ATOM 1765 C CB . TYR A 1 226 ? -6.899 15.059 16.518 1.00 55.71 ? 226 TYR A CB 1 ATOM 1766 C CG . TYR A 1 226 ? -5.928 16.192 16.274 1.00 63.60 ? 226 TYR A CG 1 ATOM 1767 C CD1 . TYR A 1 226 ? -6.268 17.514 16.585 1.00 64.71 ? 226 TYR A CD1 1 ATOM 1768 C CD2 . TYR A 1 226 ? -4.662 15.952 15.743 1.00 65.16 ? 226 TYR A CD2 1 ATOM 1769 C CE1 . TYR A 1 226 ? -5.370 18.560 16.381 1.00 63.49 ? 226 TYR A CE1 1 ATOM 1770 C CE2 . TYR A 1 226 ? -3.770 16.984 15.545 1.00 64.57 ? 226 TYR A CE2 1 ATOM 1771 C CZ . TYR A 1 226 ? -4.126 18.278 15.857 1.00 64.27 ? 226 TYR A CZ 1 ATOM 1772 O OH . TYR A 1 226 ? -3.208 19.258 15.624 1.00 65.96 ? 226 TYR A OH 1 ATOM 1773 N N . LEU A 1 227 ? -6.771 11.946 17.064 1.00 56.63 ? 227 LEU A N 1 ATOM 1774 C CA . LEU A 1 227 ? -7.412 10.885 17.846 1.00 59.15 ? 227 LEU A CA 1 ATOM 1775 C C . LEU A 1 227 ? -8.370 11.451 18.891 1.00 53.39 ? 227 LEU A C 1 ATOM 1776 O O . LEU A 1 227 ? -8.140 12.525 19.430 1.00 56.50 ? 227 LEU A O 1 ATOM 1777 C CB . LEU A 1 227 ? -6.377 10.003 18.569 1.00 65.22 ? 227 LEU A CB 1 ATOM 1778 C CG . LEU A 1 227 ? -5.634 8.961 17.703 1.00 65.70 ? 227 LEU A CG 1 ATOM 1779 C CD1 . LEU A 1 227 ? -4.193 9.316 17.427 1.00 62.71 ? 227 LEU A CD1 1 ATOM 1780 C CD2 . LEU A 1 227 ? -5.682 7.619 18.395 1.00 74.66 ? 227 LEU A CD2 1 ATOM 1781 N N . PRO A 1 228 ? -9.434 10.705 19.214 1.00 49.96 ? 228 PRO A N 1 ATOM 1782 C CA . PRO A 1 228 ? -10.294 11.152 20.277 1.00 52.11 ? 228 PRO A CA 1 ATOM 1783 C C . PRO A 1 228 ? -9.538 11.308 21.575 1.00 53.03 ? 228 PRO A C 1 ATOM 1784 O O . PRO A 1 228 ? -8.450 10.785 21.740 1.00 49.95 ? 228 PRO A O 1 ATOM 1785 C CB . PRO A 1 228 ? -11.305 10.008 20.417 1.00 52.92 ? 228 PRO A CB 1 ATOM 1786 C CG . PRO A 1 228 ? -11.244 9.286 19.128 1.00 51.17 ? 228 PRO A CG 1 ATOM 1787 C CD . PRO A 1 228 ? -9.823 9.378 18.737 1.00 46.91 ? 228 PRO A CD 1 ATOM 1788 N N . PHE A 1 229 ? -10.131 12.030 22.503 1.00 51.68 ? 229 PHE A N 1 ATOM 1789 C CA . PHE A 1 229 ? -9.540 12.194 23.768 1.00 50.94 ? 229 PHE A CA 1 ATOM 1790 C C . PHE A 1 229 ? -10.050 11.064 24.608 1.00 50.34 ? 229 PHE A C 1 ATOM 1791 O O . PHE A 1 229 ? -11.018 10.443 24.258 1.00 50.27 ? 229 PHE A O 1 ATOM 1792 C CB . PHE A 1 229 ? -9.959 13.516 24.372 1.00 58.60 ? 229 PHE A CB 1 ATOM 1793 C CG . PHE A 1 229 ? -9.288 14.711 23.758 1.00 68.51 ? 229 PHE A CG 1 ATOM 1794 C CD1 . PHE A 1 229 ? -7.904 14.757 23.615 1.00 68.98 ? 229 PHE A CD1 1 ATOM 1795 C CD2 . PHE A 1 229 ? -10.039 15.827 23.385 1.00 73.49 ? 229 PHE A CD2 1 ATOM 1796 C CE1 . PHE A 1 229 ? -7.292 15.866 23.080 1.00 71.38 ? 229 PHE A CE1 1 ATOM 1797 C CE2 . PHE A 1 229 ? -9.427 16.946 22.847 1.00 72.38 ? 229 PHE A CE2 1 ATOM 1798 C CZ . PHE A 1 229 ? -8.052 16.964 22.695 1.00 74.17 ? 229 PHE A CZ 1 ATOM 1799 N N . ASN A 1 230 ? -9.422 10.870 25.749 1.00 54.54 ? 230 ASN A N 1 ATOM 1800 C CA . ASN A 1 230 ? -9.758 9.823 26.669 1.00 62.02 ? 230 ASN A CA 1 ATOM 1801 C C . ASN A 1 230 ? -10.661 10.258 27.843 1.00 69.18 ? 230 ASN A C 1 ATOM 1802 O O . ASN A 1 230 ? -10.556 11.364 28.351 1.00 74.03 ? 230 ASN A O 1 ATOM 1803 C CB . ASN A 1 230 ? -8.450 9.226 27.210 1.00 56.13 ? 230 ASN A CB 1 ATOM 1804 C CG . ASN A 1 230 ? -8.683 7.974 28.010 1.00 61.52 ? 230 ASN A CG 1 ATOM 1805 O OD1 . ASN A 1 230 ? -9.826 7.658 28.364 1.00 61.00 ? 230 ASN A OD1 1 ATOM 1806 N ND2 . ASN A 1 230 ? -7.612 7.257 28.318 1.00 65.54 ? 230 ASN A ND2 1 ATOM 1807 N N . ASN A 1 231 ? -11.520 9.330 28.272 1.00 85.31 ? 231 ASN A N 1 ATOM 1808 C CA . ASN A 1 231 ? -12.377 9.437 29.482 1.00 84.32 ? 231 ASN A CA 1 ATOM 1809 C C . ASN A 1 231 ? -11.684 9.701 30.816 1.00 75.45 ? 231 ASN A C 1 ATOM 1810 O O . ASN A 1 231 ? -12.098 10.566 31.571 1.00 70.92 ? 231 ASN A O 1 ATOM 1811 C CB . ASN A 1 231 ? -13.133 8.100 29.690 1.00 89.17 ? 231 ASN A CB 1 ATOM 1812 C CG . ASN A 1 231 ? -14.554 8.121 29.168 1.00 87.99 ? 231 ASN A CG 1 ATOM 1813 O OD1 . ASN A 1 231 ? -15.099 9.172 28.840 1.00 92.28 ? 231 ASN A OD1 1 ATOM 1814 N ND2 . ASN A 1 231 ? -15.172 6.945 29.110 1.00 88.36 ? 231 ASN A ND2 1 ATOM 1815 N N . ARG A 1 232 ? -10.694 8.867 31.129 1.00 79.66 ? 232 ARG A N 1 ATOM 1816 C CA . ARG A 1 232 ? -10.046 8.826 32.444 1.00 76.74 ? 232 ARG A CA 1 ATOM 1817 C C . ARG A 1 232 ? -9.872 10.196 33.090 1.00 83.62 ? 232 ARG A C 1 ATOM 1818 O O . ARG A 1 232 ? -9.390 11.143 32.455 1.00 90.50 ? 232 ARG A O 1 ATOM 1819 C CB . ARG A 1 232 ? -8.664 8.167 32.342 1.00 78.18 ? 232 ARG A CB 1 ATOM 1820 C CG . ARG A 1 232 ? -7.787 8.716 31.205 1.00 72.73 ? 232 ARG A CG 1 ATOM 1821 C CD . ARG A 1 232 ? -6.311 8.416 31.409 1.00 67.95 ? 232 ARG A CD 1 ATOM 1822 N NE . ARG A 1 232 ? -5.482 8.481 30.204 1.00 50.76 ? 232 ARG A NE 1 ATOM 1823 C CZ . ARG A 1 232 ? -4.204 8.152 30.200 1.00 59.79 ? 232 ARG A CZ 1 ATOM 1824 N NH1 . ARG A 1 232 ? -3.607 7.765 31.322 1.00 72.25 ? 232 ARG A NH1 1 ATOM 1825 N NH2 . ARG A 1 232 ? -3.497 8.209 29.087 1.00 59.74 ? 232 ARG A NH2 1 ATOM 1826 N N . LYS A 1 233 ? -10.294 10.289 34.348 1.00 79.34 ? 233 LYS A N 1 ATOM 1827 C CA . LYS A 1 233 ? -9.878 11.353 35.242 1.00 82.76 ? 233 LYS A CA 1 ATOM 1828 C C . LYS A 1 233 ? -9.589 10.681 36.572 1.00 86.37 ? 233 LYS A C 1 ATOM 1829 O O . LYS A 1 233 ? -10.440 9.959 37.089 1.00 87.95 ? 233 LYS A O 1 ATOM 1830 C CB . LYS A 1 233 ? -10.954 12.415 35.396 1.00 83.23 ? 233 LYS A CB 1 ATOM 1831 C CG . LYS A 1 233 ? -11.176 13.208 34.129 1.00 84.37 ? 233 LYS A CG 1 ATOM 1832 C CD . LYS A 1 233 ? -11.696 14.599 34.412 1.00 84.13 ? 233 LYS A CD 1 ATOM 1833 C CE . LYS A 1 233 ? -11.652 15.446 33.153 1.00 85.93 ? 233 LYS A CE 1 ATOM 1834 N NZ . LYS A 1 233 ? -11.549 16.890 33.478 1.00 84.23 ? 233 LYS A NZ 1 ATOM 1835 N N . PRO A 1 234 ? -8.394 10.919 37.142 1.00 85.40 ? 234 PRO A N 1 ATOM 1836 C CA . PRO A 1 234 ? -7.407 11.926 36.727 1.00 82.24 ? 234 PRO A CA 1 ATOM 1837 C C . PRO A 1 234 ? -6.655 11.622 35.413 1.00 74.89 ? 234 PRO A C 1 ATOM 1838 O O . PRO A 1 234 ? -6.369 10.464 35.090 1.00 67.62 ? 234 PRO A O 1 ATOM 1839 C CB . PRO A 1 234 ? -6.439 11.986 37.922 1.00 86.18 ? 234 PRO A CB 1 ATOM 1840 C CG . PRO A 1 234 ? -6.541 10.647 38.580 1.00 86.57 ? 234 PRO A CG 1 ATOM 1841 C CD . PRO A 1 234 ? -7.908 10.088 38.263 1.00 86.94 ? 234 PRO A CD 1 ATOM 1842 N N . SER A 1 235 ? -6.355 12.677 34.666 1.00 62.24 ? 235 SER A N 1 ATOM 1843 C CA . SER A 1 235 ? -5.640 12.555 33.425 1.00 55.88 ? 235 SER A CA 1 ATOM 1844 C C . SER A 1 235 ? -4.232 13.110 33.622 1.00 57.92 ? 235 SER A C 1 ATOM 1845 O O . SER A 1 235 ? -4.042 14.180 34.201 1.00 52.16 ? 235 SER A O 1 ATOM 1846 C CB . SER A 1 235 ? -6.383 13.303 32.334 1.00 57.87 ? 235 SER A CB 1 ATOM 1847 O OG . SER A 1 235 ? -5.772 13.138 31.074 1.00 57.17 ? 235 SER A OG 1 ATOM 1848 N N . PRO A 1 236 ? -3.217 12.366 33.172 1.00 53.80 ? 236 PRO A N 1 ATOM 1849 C CA . PRO A 1 236 ? -1.858 12.854 33.395 1.00 49.10 ? 236 PRO A CA 1 ATOM 1850 C C . PRO A 1 236 ? -1.465 13.882 32.318 1.00 45.27 ? 236 PRO A C 1 ATOM 1851 O O . PRO A 1 236 ? -0.563 14.664 32.516 1.00 56.76 ? 236 PRO A O 1 ATOM 1852 C CB . PRO A 1 236 ? -1.022 11.580 33.340 1.00 53.49 ? 236 PRO A CB 1 ATOM 1853 C CG . PRO A 1 236 ? -1.790 10.678 32.425 1.00 55.04 ? 236 PRO A CG 1 ATOM 1854 C CD . PRO A 1 236 ? -3.249 11.061 32.495 1.00 53.30 ? 236 PRO A CD 1 ATOM 1855 N N . CYS A 1 237 ? -2.177 13.911 31.219 1.00 46.67 ? 237 CYS A N 1 ATOM 1856 C CA . CYS A 1 237 ? -1.854 14.859 30.193 1.00 50.69 ? 237 CYS A CA 1 ATOM 1857 C C . CYS A 1 237 ? -2.416 16.182 30.663 1.00 53.22 ? 237 CYS A C 1 ATOM 1858 O O . CYS A 1 237 ? -1.832 17.230 30.432 1.00 58.36 ? 237 CYS A O 1 ATOM 1859 C CB . CYS A 1 237 ? -2.439 14.453 28.857 1.00 44.27 ? 237 CYS A CB 1 ATOM 1860 S SG . CYS A 1 237 ? -1.798 12.895 28.151 1.00 44.60 ? 237 CYS A SG 1 ATOM 1861 N N . GLU A 1 238 ? -3.546 16.121 31.343 1.00 51.37 ? 238 GLU A N 1 ATOM 1862 C CA . GLU A 1 238 ? -4.092 17.286 31.994 1.00 47.80 ? 238 GLU A CA 1 ATOM 1863 C C . GLU A 1 238 ? -3.212 17.754 33.143 1.00 50.85 ? 238 GLU A C 1 ATOM 1864 O O . GLU A 1 238 ? -2.943 18.956 33.253 1.00 53.92 ? 238 GLU A O 1 ATOM 1865 C CB . GLU A 1 238 ? -5.462 16.977 32.553 1.00 48.28 ? 238 GLU A CB 1 ATOM 1866 C CG . GLU A 1 238 ? -6.559 16.943 31.513 1.00 49.38 ? 238 GLU A CG 1 ATOM 1867 C CD . GLU A 1 238 ? -7.928 16.711 32.136 1.00 53.84 ? 238 GLU A CD 1 ATOM 1868 O OE1 . GLU A 1 238 ? -8.906 16.566 31.365 1.00 52.42 ? 238 GLU A OE1 1 ATOM 1869 O OE2 . GLU A 1 238 ? -8.022 16.695 33.397 1.00 51.85 ? 238 GLU A OE2 1 ATOM 1870 N N . PHE A 1 239 ? -2.790 16.826 34.009 1.00 47.69 ? 239 PHE A N 1 ATOM 1871 C CA . PHE A 1 239 ? -1.914 17.161 35.138 1.00 53.39 ? 239 PHE A CA 1 ATOM 1872 C C . PHE A 1 239 ? -0.610 17.856 34.704 1.00 54.96 ? 239 PHE A C 1 ATOM 1873 O O . PHE A 1 239 ? -0.024 18.615 35.491 1.00 49.97 ? 239 PHE A O 1 ATOM 1874 C CB . PHE A 1 239 ? -1.582 15.901 35.932 1.00 55.93 ? 239 PHE A CB 1 ATOM 1875 C CG . PHE A 1 239 ? -0.775 16.160 37.165 1.00 57.76 ? 239 PHE A CG 1 ATOM 1876 C CD1 . PHE A 1 239 ? -1.394 16.368 38.390 1.00 61.15 ? 239 PHE A CD1 1 ATOM 1877 C CD2 . PHE A 1 239 ? 0.612 16.191 37.108 1.00 55.97 ? 239 PHE A CD2 1 ATOM 1878 C CE1 . PHE A 1 239 ? -0.637 16.610 39.521 1.00 59.79 ? 239 PHE A CE1 1 ATOM 1879 C CE2 . PHE A 1 239 ? 1.367 16.434 38.230 1.00 53.15 ? 239 PHE A CE2 1 ATOM 1880 C CZ . PHE A 1 239 ? 0.744 16.643 39.439 1.00 57.44 ? 239 PHE A CZ 1 ATOM 1881 N N . ILE A 1 240 ? -0.169 17.585 33.469 1.00 48.05 ? 240 ILE A N 1 ATOM 1882 C CA . ILE A 1 240 ? 1.086 18.144 32.915 1.00 54.44 ? 240 ILE A CA 1 ATOM 1883 C C . ILE A 1 240 ? 1.057 19.675 32.790 1.00 56.60 ? 240 ILE A C 1 ATOM 1884 O O . ILE A 1 240 ? 2.036 20.348 33.065 1.00 55.34 ? 240 ILE A O 1 ATOM 1885 C CB . ILE A 1 240 ? 1.411 17.480 31.523 1.00 54.75 ? 240 ILE A CB 1 ATOM 1886 C CG1 . ILE A 1 240 ? 2.071 16.122 31.713 1.00 53.49 ? 240 ILE A CG1 1 ATOM 1887 C CG2 . ILE A 1 240 ? 2.276 18.333 30.606 1.00 50.94 ? 240 ILE A CG2 1 ATOM 1888 C CD1 . ILE A 1 240 ? 3.216 16.099 32.698 1.00 57.33 ? 240 ILE A CD1 1 ATOM 1889 N N . ASN A 1 241 ? -0.062 20.196 32.325 1.00 54.46 ? 241 ASN A N 1 ATOM 1890 C CA . ASN A 1 241 ? -0.316 21.615 32.287 1.00 58.01 ? 241 ASN A CA 1 ATOM 1891 C C . ASN A 1 241 ? -1.806 21.828 32.628 1.00 57.06 ? 241 ASN A C 1 ATOM 1892 O O . ASN A 1 241 ? -2.655 21.856 31.731 1.00 44.05 ? 241 ASN A O 1 ATOM 1893 C CB . ASN A 1 241 ? 0.007 22.137 30.884 1.00 63.55 ? 241 ASN A CB 1 ATOM 1894 C CG . ASN A 1 241 ? -0.222 23.628 30.738 1.00 64.63 ? 241 ASN A CG 1 ATOM 1895 O OD1 . ASN A 1 241 ? -0.758 24.284 31.626 1.00 64.49 ? 241 ASN A OD1 1 ATOM 1896 N ND2 . ASN A 1 241 ? 0.193 24.162 29.605 1.00 67.29 ? 241 ASN A ND2 1 ATOM 1897 N N . THR A 1 242 ? -2.110 21.957 33.923 1.00 59.59 ? 242 THR A N 1 ATOM 1898 C CA . THR A 1 242 ? -3.518 22.040 34.388 1.00 63.55 ? 242 THR A CA 1 ATOM 1899 C C . THR A 1 242 ? -4.316 23.252 33.849 1.00 65.47 ? 242 THR A C 1 ATOM 1900 O O . THR A 1 242 ? -5.547 23.257 33.874 1.00 61.15 ? 242 THR A O 1 ATOM 1901 C CB . THR A 1 242 ? -3.607 21.951 35.925 1.00 69.01 ? 242 THR A CB 1 ATOM 1902 O OG1 . THR A 1 242 ? -2.619 22.798 36.550 1.00 66.26 ? 242 THR A OG1 1 ATOM 1903 C CG2 . THR A 1 242 ? -3.381 20.503 36.370 1.00 65.74 ? 242 THR A CG2 1 ATOM 1904 N N . THR A 1 243 ? -3.597 24.246 33.334 1.00 65.85 ? 243 THR A N 1 ATOM 1905 C CA . THR A 1 243 ? -4.149 25.397 32.614 1.00 62.94 ? 243 THR A CA 1 ATOM 1906 C C . THR A 1 243 ? -4.723 25.029 31.274 1.00 61.89 ? 243 THR A C 1 ATOM 1907 O O . THR A 1 243 ? -5.807 25.482 30.907 1.00 60.50 ? 243 THR A O 1 ATOM 1908 C CB . THR A 1 243 ? -3.025 26.433 32.335 1.00 60.61 ? 243 THR A CB 1 ATOM 1909 O OG1 . THR A 1 243 ? -2.539 26.931 33.584 1.00 74.08 ? 243 THR A OG1 1 ATOM 1910 C CG2 . THR A 1 243 ? -3.489 27.580 31.478 1.00 59.65 ? 243 THR A CG2 1 ATOM 1911 N N . ALA A 1 244 ? -3.958 24.271 30.496 1.00 62.97 ? 244 ALA A N 1 ATOM 1912 C CA . ALA A 1 244 ? -4.324 24.022 29.092 1.00 60.46 ? 244 ALA A CA 1 ATOM 1913 C C . ALA A 1 244 ? -5.470 22.999 28.970 1.00 58.17 ? 244 ALA A C 1 ATOM 1914 O O . ALA A 1 244 ? -6.178 22.967 27.959 1.00 60.94 ? 244 ALA A O 1 ATOM 1915 C CB . ALA A 1 244 ? -3.099 23.559 28.315 1.00 62.76 ? 244 ALA A CB 1 ATOM 1916 N N . ARG A 1 245 ? -5.635 22.175 30.009 1.00 60.22 ? 245 ARG A N 1 ATOM 1917 C CA . ARG A 1 245 ? -6.659 21.119 30.059 1.00 64.87 ? 245 ARG A CA 1 ATOM 1918 C C . ARG A 1 245 ? -6.818 20.332 28.767 1.00 60.61 ? 245 ARG A C 1 ATOM 1919 O O . ARG A 1 245 ? -7.918 20.145 28.253 1.00 63.91 ? 245 ARG A O 1 ATOM 1920 C CB . ARG A 1 245 ? -8.003 21.697 30.524 1.00 70.67 ? 245 ARG A CB 1 ATOM 1921 C CG . ARG A 1 245 ? -8.316 21.322 31.960 1.00 74.33 ? 245 ARG A CG 1 ATOM 1922 C CD . ARG A 1 245 ? -9.594 21.990 32.433 1.00 80.44 ? 245 ARG A CD 1 ATOM 1923 N NE . ARG A 1 245 ? -9.494 23.448 32.336 1.00 87.00 ? 245 ARG A NE 1 ATOM 1924 C CZ . ARG A 1 245 ? -8.818 24.233 33.182 1.00 88.12 ? 245 ARG A CZ 1 ATOM 1925 N NH1 . ARG A 1 245 ? -8.813 25.555 32.993 1.00 82.61 ? 245 ARG A NH1 1 ATOM 1926 N NH2 . ARG A 1 245 ? -8.165 23.724 34.229 1.00 88.76 ? 245 ARG A NH2 1 ATOM 1927 N N . VAL A 1 246 ? -5.703 19.876 28.217 1.00 68.86 ? 246 VAL A N 1 ATOM 1928 C CA . VAL A 1 246 ? -5.766 18.968 27.083 1.00 66.02 ? 246 VAL A CA 1 ATOM 1929 C C . VAL A 1 246 ? -5.437 17.589 27.651 1.00 67.22 ? 246 VAL A C 1 ATOM 1930 O O . VAL A 1 246 ? -4.376 17.415 28.245 1.00 64.94 ? 246 VAL A O 1 ATOM 1931 C CB . VAL A 1 246 ? -4.813 19.370 25.956 1.00 62.24 ? 246 VAL A CB 1 ATOM 1932 C CG1 . VAL A 1 246 ? -4.998 18.454 24.756 1.00 63.67 ? 246 VAL A CG1 1 ATOM 1933 C CG2 . VAL A 1 246 ? -5.056 20.814 25.550 1.00 60.38 ? 246 VAL A CG2 1 ATOM 1934 N N . PRO A 1 247 ? -6.368 16.626 27.509 1.00 67.55 ? 247 PRO A N 1 ATOM 1935 C CA . PRO A 1 247 ? -6.178 15.288 28.040 1.00 69.01 ? 247 PRO A CA 1 ATOM 1936 C C . PRO A 1 247 ? -5.435 14.415 27.054 1.00 64.63 ? 247 PRO A C 1 ATOM 1937 O O . PRO A 1 247 ? -5.047 14.883 25.978 1.00 62.00 ? 247 PRO A O 1 ATOM 1938 C CB . PRO A 1 247 ? -7.614 14.779 28.212 1.00 68.69 ? 247 PRO A CB 1 ATOM 1939 C CG . PRO A 1 247 ? -8.343 15.416 27.086 1.00 70.50 ? 247 PRO A CG 1 ATOM 1940 C CD . PRO A 1 247 ? -7.672 16.745 26.823 1.00 69.45 ? 247 PRO A CD 1 ATOM 1941 N N . CYS A 1 248 ? -5.237 13.157 27.443 1.00 61.42 ? 248 CYS A N 1 ATOM 1942 C CA . CYS A 1 248 ? -4.561 12.181 26.613 1.00 52.66 ? 248 CYS A CA 1 ATOM 1943 C C . CYS A 1 248 ? -5.457 11.677 25.524 1.00 54.35 ? 248 CYS A C 1 ATOM 1944 O O . CYS A 1 248 ? -6.700 11.863 25.517 1.00 51.61 ? 248 CYS A O 1 ATOM 1945 C CB . CYS A 1 248 ? -4.050 10.997 27.444 1.00 52.94 ? 248 CYS A CB 1 ATOM 1946 S SG . CYS A 1 248 ? -3.034 11.463 28.870 1.00 51.78 ? 248 CYS A SG 1 ATOM 1947 N N . PHE A 1 249 ? -4.811 11.018 24.580 1.00 50.69 ? 249 PHE A N 1 ATOM 1948 C CA . PHE A 1 249 ? -5.514 10.459 23.476 1.00 52.69 ? 249 PHE A CA 1 ATOM 1949 C C . PHE A 1 249 ? -6.028 9.104 23.869 1.00 54.29 ? 249 PHE A C 1 ATOM 1950 O O . PHE A 1 249 ? -5.622 8.536 24.854 1.00 54.26 ? 249 PHE A O 1 ATOM 1951 C CB . PHE A 1 249 ? -4.611 10.406 22.265 1.00 52.34 ? 249 PHE A CB 1 ATOM 1952 C CG . PHE A 1 249 ? -4.368 11.757 21.644 1.00 56.00 ? 249 PHE A CG 1 ATOM 1953 C CD1 . PHE A 1 249 ? -5.441 12.598 21.331 1.00 60.06 ? 249 PHE A CD1 1 ATOM 1954 C CD2 . PHE A 1 249 ? -3.088 12.192 21.358 1.00 55.71 ? 249 PHE A CD2 1 ATOM 1955 C CE1 . PHE A 1 249 ? -5.231 13.843 20.751 1.00 59.93 ? 249 PHE A CE1 1 ATOM 1956 C CE2 . PHE A 1 249 ? -2.872 13.428 20.767 1.00 57.66 ? 249 PHE A CE2 1 ATOM 1957 C CZ . PHE A 1 249 ? -3.942 14.258 20.466 1.00 57.87 ? 249 PHE A CZ 1 ATOM 1958 N N . LEU A 1 250 ? -6.971 8.610 23.095 1.00 62.10 ? 250 LEU A N 1 ATOM 1959 C CA . LEU A 1 250 ? -7.464 7.276 23.281 1.00 63.58 ? 250 LEU A CA 1 ATOM 1960 C C . LEU A 1 250 ? -7.082 6.541 22.040 1.00 54.96 ? 250 LEU A C 1 ATOM 1961 O O . LEU A 1 250 ? -7.462 6.926 20.958 1.00 54.93 ? 250 LEU A O 1 ATOM 1962 C CB . LEU A 1 250 ? -8.978 7.250 23.445 1.00 63.17 ? 250 LEU A CB 1 ATOM 1963 C CG . LEU A 1 250 ? -9.516 5.836 23.652 1.00 61.69 ? 250 LEU A CG 1 ATOM 1964 C CD1 . LEU A 1 250 ? -9.071 5.259 24.987 1.00 57.07 ? 250 LEU A CD1 1 ATOM 1965 C CD2 . LEU A 1 250 ? -11.029 5.837 23.561 1.00 64.36 ? 250 LEU A CD2 1 ATOM 1966 N N . ALA A 1 251 ? -6.299 5.492 22.208 1.00 51.02 ? 251 ALA A N 1 ATOM 1967 C CA . ALA A 1 251 ? -5.891 4.664 21.096 1.00 43.56 ? 251 ALA A CA 1 ATOM 1968 C C . ALA A 1 251 ? -6.154 3.197 21.422 1.00 44.96 ? 251 ALA A C 1 ATOM 1969 O O . ALA A 1 251 ? -6.605 2.875 22.534 1.00 51.35 ? 251 ALA A O 1 ATOM 1970 C CB . ALA A 1 251 ? -4.426 4.900 20.841 1.00 42.29 ? 251 ALA A CB 1 ATOM 1971 N N . GLY A 1 252 ? -5.847 2.299 20.481 1.00 42.32 ? 252 GLY A N 1 ATOM 1972 C CA . GLY A 1 252 ? -5.860 0.864 20.781 1.00 40.96 ? 252 GLY A CA 1 ATOM 1973 C C . GLY A 1 252 ? -4.938 0.435 21.915 1.00 48.39 ? 252 GLY A C 1 ATOM 1974 O O . GLY A 1 252 ? -5.005 -0.683 22.402 1.00 51.74 ? 252 GLY A O 1 ATOM 1975 N N . ASP A 1 253 ? -4.039 1.309 22.326 1.00 45.20 ? 253 ASP A N 1 ATOM 1976 C CA . ASP A 1 253 ? -3.076 0.940 23.312 1.00 45.71 ? 253 ASP A CA 1 ATOM 1977 C C . ASP A 1 253 ? -2.996 2.061 24.302 1.00 44.29 ? 253 ASP A C 1 ATOM 1978 O O . ASP A 1 253 ? -3.016 3.220 23.914 1.00 50.08 ? 253 ASP A O 1 ATOM 1979 C CB . ASP A 1 253 ? -1.704 0.685 22.681 1.00 45.07 ? 253 ASP A CB 1 ATOM 1980 C CG . ASP A 1 253 ? -0.675 0.297 23.723 1.00 47.77 ? 253 ASP A CG 1 ATOM 1981 O OD1 . ASP A 1 253 ? -0.654 -0.912 24.101 1.00 46.62 ? 253 ASP A OD1 1 ATOM 1982 O OD2 . ASP A 1 253 ? 0.063 1.204 24.218 1.00 46.28 ? 253 ASP A OD2 1 ATOM 1983 N N . PHE A 1 254 ? -2.862 1.728 25.576 1.00 45.73 ? 254 PHE A N 1 ATOM 1984 C CA . PHE A 1 254 ? -3.031 2.748 26.607 1.00 57.61 ? 254 PHE A CA 1 ATOM 1985 C C . PHE A 1 254 ? -1.868 3.722 26.755 1.00 50.84 ? 254 PHE A C 1 ATOM 1986 O O . PHE A 1 254 ? -2.029 4.780 27.343 1.00 51.74 ? 254 PHE A O 1 ATOM 1987 C CB . PHE A 1 254 ? -3.371 2.094 27.963 1.00 67.53 ? 254 PHE A CB 1 ATOM 1988 C CG . PHE A 1 254 ? -4.677 1.329 27.956 1.00 76.13 ? 254 PHE A CG 1 ATOM 1989 C CD1 . PHE A 1 254 ? -4.870 0.258 28.825 1.00 78.65 ? 254 PHE A CD1 1 ATOM 1990 C CD2 . PHE A 1 254 ? -5.714 1.661 27.062 1.00 85.31 ? 254 PHE A CD2 1 ATOM 1991 C CE1 . PHE A 1 254 ? -6.064 -0.453 28.816 1.00 83.56 ? 254 PHE A CE1 1 ATOM 1992 C CE2 . PHE A 1 254 ? -6.907 0.953 27.057 1.00 87.82 ? 254 PHE A CE2 1 ATOM 1993 C CZ . PHE A 1 254 ? -7.080 -0.107 27.934 1.00 84.40 ? 254 PHE A CZ 1 ATOM 1994 N N . ARG A 1 255 ? -0.705 3.366 26.226 1.00 46.90 ? 255 ARG A N 1 ATOM 1995 C CA . ARG A 1 255 ? 0.492 4.159 26.417 1.00 44.21 ? 255 ARG A CA 1 ATOM 1996 C C . ARG A 1 255 ? 0.676 5.228 25.345 1.00 43.15 ? 255 ARG A C 1 ATOM 1997 O O . ARG A 1 255 ? 1.715 5.845 25.306 1.00 48.71 ? 255 ARG A O 1 ATOM 1998 C CB . ARG A 1 255 ? 1.717 3.237 26.432 1.00 45.49 ? 255 ARG A CB 1 ATOM 1999 C CG . ARG A 1 255 ? 1.695 2.192 27.549 1.00 43.88 ? 255 ARG A CG 1 ATOM 2000 C CD . ARG A 1 255 ? 2.706 1.089 27.266 1.00 38.52 ? 255 ARG A CD 1 ATOM 2001 N NE . ARG A 1 255 ? 2.195 0.150 26.286 1.00 36.32 ? 255 ARG A NE 1 ATOM 2002 C CZ . ARG A 1 255 ? 2.751 -0.982 25.883 1.00 32.86 ? 255 ARG A CZ 1 ATOM 2003 N NH1 . ARG A 1 255 ? 3.919 -1.407 26.352 1.00 38.52 ? 255 ARG A NH1 1 ATOM 2004 N NH2 . ARG A 1 255 ? 2.131 -1.691 24.943 1.00 36.61 ? 255 ARG A NH2 1 ATOM 2005 N N . ALA A 1 256 ? -0.336 5.465 24.503 1.00 43.67 ? 256 ALA A N 1 ATOM 2006 C CA . ALA A 1 256 ? -0.147 6.247 23.274 1.00 42.30 ? 256 ALA A CA 1 ATOM 2007 C C . ALA A 1 256 ? 0.282 7.686 23.567 1.00 44.03 ? 256 ALA A C 1 ATOM 2008 O O . ALA A 1 256 ? 0.873 8.331 22.714 1.00 42.87 ? 256 ALA A O 1 ATOM 2009 C CB . ALA A 1 256 ? -1.412 6.242 22.462 1.00 43.51 ? 256 ALA A CB 1 ATOM 2010 N N . SER A 1 257 ? 0.051 8.153 24.788 1.00 37.05 ? 257 SER A N 1 ATOM 2011 C CA . SER A 1 257 ? 0.430 9.505 25.148 1.00 42.42 ? 257 SER A CA 1 ATOM 2012 C C . SER A 1 257 ? 1.684 9.652 26.011 1.00 40.56 ? 257 SER A C 1 ATOM 2013 O O . SER A 1 257 ? 2.022 10.782 26.402 1.00 36.90 ? 257 SER A O 1 ATOM 2014 C CB . SER A 1 257 ? -0.740 10.248 25.805 1.00 40.73 ? 257 SER A CB 1 ATOM 2015 O OG . SER A 1 257 ? -1.832 10.268 24.922 1.00 37.58 ? 257 SER A OG 1 ATOM 2016 N N . GLU A 1 258 ? 2.404 8.562 26.267 1.00 38.13 ? 258 GLU A N 1 ATOM 2017 C CA . GLU A 1 258 ? 3.589 8.659 27.084 1.00 38.75 ? 258 GLU A CA 1 ATOM 2018 C C . GLU A 1 258 ? 4.529 9.772 26.621 1.00 36.44 ? 258 GLU A C 1 ATOM 2019 O O . GLU A 1 258 ? 5.118 10.453 27.438 1.00 45.61 ? 258 GLU A O 1 ATOM 2020 C CB . GLU A 1 258 ? 4.361 7.325 27.157 1.00 37.62 ? 258 GLU A CB 1 ATOM 2021 C CG . GLU A 1 258 ? 5.578 7.422 28.094 1.00 35.59 ? 258 GLU A CG 1 ATOM 2022 C CD . GLU A 1 258 ? 6.876 7.453 27.342 1.00 36.67 ? 258 GLU A CD 1 ATOM 2023 O OE1 . GLU A 1 258 ? 6.824 7.293 26.107 1.00 34.84 ? 258 GLU A OE1 1 ATOM 2024 O OE2 . GLU A 1 258 ? 7.950 7.628 27.971 1.00 36.09 ? 258 GLU A OE2 1 ATOM 2025 N N . GLN A 1 259 ? 4.635 9.969 25.328 1.00 35.51 ? 259 GLN A N 1 ATOM 2026 C CA . GLN A 1 259 ? 5.417 11.069 24.824 1.00 38.88 ? 259 GLN A CA 1 ATOM 2027 C C . GLN A 1 259 ? 4.880 11.459 23.444 1.00 40.58 ? 259 GLN A C 1 ATOM 2028 O O . GLN A 1 259 ? 4.229 10.679 22.720 1.00 39.99 ? 259 GLN A O 1 ATOM 2029 C CB . GLN A 1 259 ? 6.922 10.692 24.819 1.00 41.70 ? 259 GLN A CB 1 ATOM 2030 C CG . GLN A 1 259 ? 7.238 9.395 24.057 1.00 38.32 ? 259 GLN A CG 1 ATOM 2031 C CD . GLN A 1 259 ? 7.768 9.602 22.632 1.00 45.97 ? 259 GLN A CD 1 ATOM 2032 O OE1 . GLN A 1 259 ? 8.119 8.625 21.945 1.00 40.93 ? 259 GLN A OE1 1 ATOM 2033 N NE2 . GLN A 1 259 ? 7.846 10.856 22.182 1.00 36.52 ? 259 GLN A NE2 1 ATOM 2034 N N . ILE A 1 260 ? 5.153 12.697 23.087 1.00 38.62 ? 260 ILE A N 1 ATOM 2035 C CA . ILE A 1 260 ? 4.420 13.387 22.031 1.00 36.02 ? 260 ILE A CA 1 ATOM 2036 C C . ILE A 1 260 ? 4.652 12.755 20.648 1.00 34.57 ? 260 ILE A C 1 ATOM 2037 O O . ILE A 1 260 ? 3.752 12.701 19.783 1.00 33.45 ? 260 ILE A O 1 ATOM 2038 C CB . ILE A 1 260 ? 4.766 14.907 22.087 1.00 37.72 ? 260 ILE A CB 1 ATOM 2039 C CG1 . ILE A 1 260 ? 3.764 15.720 21.292 1.00 46.15 ? 260 ILE A CG1 1 ATOM 2040 C CG2 . ILE A 1 260 ? 6.172 15.176 21.588 1.00 41.38 ? 260 ILE A CG2 1 ATOM 2041 C CD1 . ILE A 1 260 ? 4.013 17.216 21.406 1.00 46.12 ? 260 ILE A CD1 1 ATOM 2042 N N . LEU A 1 261 ? 5.855 12.266 20.432 1.00 39.04 ? 261 LEU A N 1 ATOM 2043 C CA . LEU A 1 261 ? 6.215 11.573 19.197 1.00 37.30 ? 261 LEU A CA 1 ATOM 2044 C C . LEU A 1 261 ? 5.574 10.192 19.135 1.00 38.23 ? 261 LEU A C 1 ATOM 2045 O O . LEU A 1 261 ? 5.270 9.723 18.051 1.00 35.92 ? 261 LEU A O 1 ATOM 2046 C CB . LEU A 1 261 ? 7.727 11.488 19.043 1.00 36.57 ? 261 LEU A CB 1 ATOM 2047 C CG . LEU A 1 261 ? 8.405 12.540 18.163 1.00 42.32 ? 261 LEU A CG 1 ATOM 2048 C CD1 . LEU A 1 261 ? 7.840 13.908 18.386 1.00 44.03 ? 261 LEU A CD1 1 ATOM 2049 C CD2 . LEU A 1 261 ? 9.931 12.534 18.345 1.00 38.81 ? 261 LEU A CD2 1 ATOM 2050 N N . LEU A 1 262 ? 5.276 9.561 20.275 1.00 40.93 ? 262 LEU A N 1 ATOM 2051 C CA . LEU A 1 262 ? 4.512 8.284 20.206 1.00 38.37 ? 262 LEU A CA 1 ATOM 2052 C C . LEU A 1 262 ? 3.080 8.621 19.783 1.00 36.10 ? 262 LEU A C 1 ATOM 2053 O O . LEU A 1 262 ? 2.541 8.035 18.864 1.00 34.22 ? 262 LEU A O 1 ATOM 2054 C CB . LEU A 1 262 ? 4.551 7.504 21.535 1.00 39.48 ? 262 LEU A CB 1 ATOM 2055 C CG . LEU A 1 262 ? 3.711 6.203 21.675 1.00 37.61 ? 262 LEU A CG 1 ATOM 2056 C CD1 . LEU A 1 262 ? 4.096 5.118 20.684 1.00 37.44 ? 262 LEU A CD1 1 ATOM 2057 C CD2 . LEU A 1 262 ? 3.848 5.685 23.092 1.00 38.07 ? 262 LEU A CD2 1 ATOM 2058 N N . ALA A 1 263 ? 2.518 9.632 20.426 1.00 36.71 ? 263 ALA A N 1 ATOM 2059 C CA . ALA A 1 263 ? 1.164 10.088 20.181 1.00 38.07 ? 263 ALA A CA 1 ATOM 2060 C C . ALA A 1 263 ? 1.076 10.565 18.730 1.00 40.19 ? 263 ALA A C 1 ATOM 2061 O O . ALA A 1 263 ? 0.135 10.285 18.034 1.00 33.95 ? 263 ALA A O 1 ATOM 2062 C CB . ALA A 1 263 ? 0.845 11.177 21.139 1.00 38.59 ? 263 ALA A CB 1 ATOM 2063 N N . THR A 1 264 ? 2.140 11.165 18.242 1.00 38.56 ? 264 THR A N 1 ATOM 2064 C CA . THR A 1 264 ? 2.239 11.498 16.828 1.00 38.77 ? 264 THR A CA 1 ATOM 2065 C C . THR A 1 264 ? 2.159 10.281 15.899 1.00 38.64 ? 264 THR A C 1 ATOM 2066 O O . THR A 1 264 ? 1.432 10.272 14.907 1.00 38.28 ? 264 THR A O 1 ATOM 2067 C CB . THR A 1 264 ? 3.552 12.241 16.635 1.00 41.96 ? 264 THR A CB 1 ATOM 2068 O OG1 . THR A 1 264 ? 3.516 13.415 17.467 1.00 44.14 ? 264 THR A OG1 1 ATOM 2069 C CG2 . THR A 1 264 ? 3.824 12.588 15.168 1.00 43.18 ? 264 THR A CG2 1 ATOM 2070 N N . ALA A 1 265 ? 2.895 9.223 16.189 1.00 43.92 ? 265 ALA A N 1 ATOM 2071 C CA . ALA A 1 265 ? 2.850 8.052 15.274 1.00 36.87 ? 265 ALA A CA 1 ATOM 2072 C C . ALA A 1 265 ? 1.504 7.425 15.298 1.00 36.78 ? 265 ALA A C 1 ATOM 2073 O O . ALA A 1 265 ? 0.992 7.049 14.234 1.00 43.01 ? 265 ALA A O 1 ATOM 2074 C CB . ALA A 1 265 ? 3.956 7.046 15.559 1.00 41.15 ? 265 ALA A CB 1 ATOM 2075 N N . HIS A 1 266 ? 0.886 7.366 16.469 1.00 39.00 ? 266 HIS A N 1 ATOM 2076 C CA . HIS A 1 266 ? -0.498 6.938 16.568 1.00 41.58 ? 266 HIS A CA 1 ATOM 2077 C C . HIS A 1 266 ? -1.422 7.739 15.634 1.00 46.48 ? 266 HIS A C 1 ATOM 2078 O O . HIS A 1 266 ? -2.179 7.150 14.848 1.00 42.22 ? 266 HIS A O 1 ATOM 2079 C CB . HIS A 1 266 ? -1.005 7.003 18.003 1.00 46.98 ? 266 HIS A CB 1 ATOM 2080 C CG . HIS A 1 266 ? -0.693 5.777 18.809 1.00 46.45 ? 266 HIS A CG 1 ATOM 2081 N ND1 . HIS A 1 266 ? -1.501 4.664 18.821 1.00 50.82 ? 266 HIS A ND1 1 ATOM 2082 C CD2 . HIS A 1 266 ? 0.344 5.488 19.624 1.00 47.66 ? 266 HIS A CD2 1 ATOM 2083 C CE1 . HIS A 1 266 ? -0.982 3.746 19.622 1.00 46.41 ? 266 HIS A CE1 1 ATOM 2084 N NE2 . HIS A 1 266 ? 0.133 4.227 20.126 1.00 49.15 ? 266 HIS A NE2 1 ATOM 2085 N N . THR A 1 267 ? -1.229 9.052 15.623 1.00 46.59 ? 267 THR A N 1 ATOM 2086 C CA . THR A 1 267 ? -1.785 9.898 14.582 1.00 44.22 ? 267 THR A CA 1 ATOM 2087 C C . THR A 1 267 ? -1.366 9.395 13.194 1.00 42.26 ? 267 THR A C 1 ATOM 2088 O O . THR A 1 267 ? -2.185 9.369 12.276 1.00 48.57 ? 267 THR A O 1 ATOM 2089 C CB . THR A 1 267 ? -1.339 11.363 14.745 1.00 48.91 ? 267 THR A CB 1 ATOM 2090 O OG1 . THR A 1 267 ? -1.758 11.853 16.024 1.00 61.06 ? 267 THR A OG1 1 ATOM 2091 C CG2 . THR A 1 267 ? -1.945 12.229 13.651 1.00 43.16 ? 267 THR A CG2 1 ATOM 2092 N N . LEU A 1 268 ? -0.102 8.995 13.035 1.00 39.59 ? 268 LEU A N 1 ATOM 2093 C CA . LEU A 1 268 ? 0.346 8.485 11.747 1.00 39.92 ? 268 LEU A CA 1 ATOM 2094 C C . LEU A 1 268 ? -0.173 7.062 11.474 1.00 40.03 ? 268 LEU A C 1 ATOM 2095 O O . LEU A 1 268 ? 0.411 6.336 10.669 1.00 44.09 ? 268 LEU A O 1 ATOM 2096 C CB . LEU A 1 268 ? 1.874 8.511 11.664 1.00 35.04 ? 268 LEU A CB 1 ATOM 2097 C CG . LEU A 1 268 ? 2.487 9.608 10.790 1.00 44.05 ? 268 LEU A CG 1 ATOM 2098 C CD1 . LEU A 1 268 ? 2.065 10.985 11.280 1.00 52.94 ? 268 LEU A CD1 1 ATOM 2099 C CD2 . LEU A 1 268 ? 4.003 9.486 10.759 1.00 43.18 ? 268 LEU A CD2 1 ATOM 2100 N N . LEU A 1 269 ? -1.262 6.662 12.136 1.00 38.02 ? 269 LEU A N 1 ATOM 2101 C CA . LEU A 1 269 ? -1.827 5.350 11.926 1.00 42.10 ? 269 LEU A CA 1 ATOM 2102 C C . LEU A 1 269 ? -3.358 5.436 11.839 1.00 40.44 ? 269 LEU A C 1 ATOM 2103 O O . LEU A 1 269 ? -3.937 4.881 10.920 1.00 46.35 ? 269 LEU A O 1 ATOM 2104 C CB . LEU A 1 269 ? -1.297 4.354 12.963 1.00 39.85 ? 269 LEU A CB 1 ATOM 2105 C CG . LEU A 1 269 ? 0.183 3.989 12.863 1.00 38.71 ? 269 LEU A CG 1 ATOM 2106 C CD1 . LEU A 1 269 ? 0.541 3.117 14.058 1.00 40.62 ? 269 LEU A CD1 1 ATOM 2107 C CD2 . LEU A 1 269 ? 0.500 3.220 11.615 1.00 39.78 ? 269 LEU A CD2 1 ATOM 2108 N N . LEU A 1 270 ? -4.000 6.089 12.788 1.00 39.43 ? 270 LEU A N 1 ATOM 2109 C CA . LEU A 1 270 ? -5.451 6.286 12.728 1.00 40.41 ? 270 LEU A CA 1 ATOM 2110 C C . LEU A 1 270 ? -5.844 6.960 11.395 1.00 46.38 ? 270 LEU A C 1 ATOM 2111 O O . LEU A 1 270 ? -6.600 6.403 10.596 1.00 50.44 ? 270 LEU A O 1 ATOM 2112 C CB . LEU A 1 270 ? -5.919 7.122 13.914 1.00 42.29 ? 270 LEU A CB 1 ATOM 2113 C CG . LEU A 1 270 ? -7.406 7.029 14.236 1.00 42.74 ? 270 LEU A CG 1 ATOM 2114 C CD1 . LEU A 1 270 ? -7.777 5.632 14.706 1.00 44.97 ? 270 LEU A CD1 1 ATOM 2115 C CD2 . LEU A 1 270 ? -7.818 8.038 15.281 1.00 47.07 ? 270 LEU A CD2 1 ATOM 2116 N N . ARG A 1 271 ? -5.254 8.106 11.107 1.00 48.90 ? 271 ARG A N 1 ATOM 2117 C CA . ARG A 1 271 ? -5.428 8.722 9.769 1.00 50.38 ? 271 ARG A CA 1 ATOM 2118 C C . ARG A 1 271 ? -5.471 7.728 8.624 1.00 53.32 ? 271 ARG A C 1 ATOM 2119 O O . ARG A 1 271 ? -6.434 7.731 7.832 1.00 53.36 ? 271 ARG A O 1 ATOM 2120 C CB . ARG A 1 271 ? -4.335 9.765 9.515 1.00 47.85 ? 271 ARG A CB 1 ATOM 2121 C CG . ARG A 1 271 ? -4.640 11.030 10.299 1.00 45.25 ? 271 ARG A CG 1 ATOM 2122 C CD . ARG A 1 271 ? -3.836 12.239 9.888 1.00 43.64 ? 271 ARG A CD 1 ATOM 2123 N NE . ARG A 1 271 ? -4.083 13.210 10.935 1.00 45.23 ? 271 ARG A NE 1 ATOM 2124 C CZ . ARG A 1 271 ? -3.367 14.280 11.149 1.00 36.77 ? 271 ARG A CZ 1 ATOM 2125 N NH1 . ARG A 1 271 ? -2.337 14.564 10.351 1.00 43.27 ? 271 ARG A NH1 1 ATOM 2126 N NH2 . ARG A 1 271 ? -3.689 15.056 12.168 1.00 40.75 ? 271 ARG A NH2 1 ATOM 2127 N N . GLU A 1 272 ? -4.449 6.872 8.533 1.00 51.48 ? 272 GLU A N 1 ATOM 2128 C CA . GLU A 1 272 ? -4.356 5.949 7.412 1.00 48.05 ? 272 GLU A CA 1 ATOM 2129 C C . GLU A 1 272 ? -5.492 4.922 7.412 1.00 52.29 ? 272 GLU A C 1 ATOM 2130 O O . GLU A 1 272 ? -5.932 4.448 6.354 1.00 43.91 ? 272 GLU A O 1 ATOM 2131 C CB . GLU A 1 272 ? -3.027 5.225 7.403 1.00 49.65 ? 272 GLU A CB 1 ATOM 2132 C CG . GLU A 1 272 ? -2.928 4.144 6.348 1.00 49.63 ? 272 GLU A CG 1 ATOM 2133 C CD . GLU A 1 272 ? -2.656 4.655 4.937 1.00 54.83 ? 272 GLU A CD 1 ATOM 2134 O OE1 . GLU A 1 272 ? -2.340 5.857 4.756 1.00 56.90 ? 272 GLU A OE1 1 ATOM 2135 O OE2 . GLU A 1 272 ? -2.692 3.819 4.000 1.00 46.78 ? 272 GLU A OE2 1 ATOM 2136 N N . HIS A 1 273 ? -5.963 4.533 8.578 1.00 51.03 ? 273 HIS A N 1 ATOM 2137 C CA . HIS A 1 273 ? -7.063 3.591 8.573 1.00 51.25 ? 273 HIS A CA 1 ATOM 2138 C C . HIS A 1 273 ? -8.244 4.198 7.810 1.00 47.30 ? 273 HIS A C 1 ATOM 2139 O O . HIS A 1 273 ? -8.792 3.593 6.920 1.00 42.34 ? 273 HIS A O 1 ATOM 2140 C CB . HIS A 1 273 ? -7.497 3.266 9.983 1.00 51.35 ? 273 HIS A CB 1 ATOM 2141 C CG . HIS A 1 273 ? -8.738 2.437 10.046 1.00 50.12 ? 273 HIS A CG 1 ATOM 2142 N ND1 . HIS A 1 273 ? -8.755 1.107 9.712 1.00 49.16 ? 273 HIS A ND1 1 ATOM 2143 C CD2 . HIS A 1 273 ? -10.008 2.757 10.380 1.00 53.87 ? 273 HIS A CD2 1 ATOM 2144 C CE1 . HIS A 1 273 ? -9.975 0.630 9.873 1.00 46.93 ? 273 HIS A CE1 1 ATOM 2145 N NE2 . HIS A 1 273 ? -10.753 1.610 10.282 1.00 49.05 ? 273 HIS A NE2 1 ATOM 2146 N N . ASN A 1 274 ? -8.621 5.394 8.228 1.00 50.05 ? 274 ASN A N 1 ATOM 2147 C CA . ASN A 1 274 ? -9.713 6.147 7.658 1.00 47.40 ? 274 ASN A CA 1 ATOM 2148 C C . ASN A 1 274 ? -9.444 6.522 6.213 1.00 52.10 ? 274 ASN A C 1 ATOM 2149 O O . ASN A 1 274 ? -10.313 6.346 5.357 1.00 59.30 ? 274 ASN A O 1 ATOM 2150 C CB . ASN A 1 274 ? -9.920 7.393 8.492 1.00 48.19 ? 274 ASN A CB 1 ATOM 2151 C CG . ASN A 1 274 ? -10.538 7.074 9.805 1.00 43.37 ? 274 ASN A CG 1 ATOM 2152 O OD1 . ASN A 1 274 ? -10.843 5.938 10.054 1.00 47.09 ? 274 ASN A OD1 1 ATOM 2153 N ND2 . ASN A 1 274 ? -10.708 8.061 10.658 1.00 49.44 ? 274 ASN A ND2 1 ATOM 2154 N N . ARG A 1 275 ? -8.234 6.950 5.891 1.00 45.47 ? 275 ARG A N 1 ATOM 2155 C CA . ARG A 1 275 ? -7.964 7.168 4.493 1.00 53.26 ? 275 ARG A CA 1 ATOM 2156 C C . ARG A 1 275 ? -8.316 5.913 3.737 1.00 58.10 ? 275 ARG A C 1 ATOM 2157 O O . ARG A 1 275 ? -9.013 5.952 2.716 1.00 58.61 ? 275 ARG A O 1 ATOM 2158 C CB . ARG A 1 275 ? -6.515 7.499 4.218 1.00 53.64 ? 275 ARG A CB 1 ATOM 2159 C CG . ARG A 1 275 ? -6.304 7.811 2.755 1.00 54.08 ? 275 ARG A CG 1 ATOM 2160 C CD . ARG A 1 275 ? -4.883 8.232 2.496 1.00 54.09 ? 275 ARG A CD 1 ATOM 2161 N NE . ARG A 1 275 ? -3.987 7.092 2.466 1.00 56.05 ? 275 ARG A NE 1 ATOM 2162 C CZ . ARG A 1 275 ? -3.968 6.172 1.514 1.00 55.20 ? 275 ARG A CZ 1 ATOM 2163 N NH1 . ARG A 1 275 ? -4.826 6.222 0.513 1.00 57.66 ? 275 ARG A NH1 1 ATOM 2164 N NH2 . ARG A 1 275 ? -3.097 5.174 1.572 1.00 54.83 ? 275 ARG A NH2 1 ATOM 2165 N N . LEU A 1 276 ? -7.823 4.800 4.252 1.00 55.32 ? 276 LEU A N 1 ATOM 2166 C CA . LEU A 1 276 ? -7.879 3.529 3.543 1.00 60.88 ? 276 LEU A CA 1 ATOM 2167 C C . LEU A 1 276 ? -9.333 3.052 3.424 1.00 59.06 ? 276 LEU A C 1 ATOM 2168 O O . LEU A 1 276 ? -9.762 2.590 2.379 1.00 56.97 ? 276 LEU A O 1 ATOM 2169 C CB . LEU A 1 276 ? -7.022 2.505 4.297 1.00 62.22 ? 276 LEU A CB 1 ATOM 2170 C CG . LEU A 1 276 ? -6.133 1.468 3.601 1.00 58.16 ? 276 LEU A CG 1 ATOM 2171 C CD1 . LEU A 1 276 ? -5.570 1.909 2.261 1.00 57.87 ? 276 LEU A CD1 1 ATOM 2172 C CD2 . LEU A 1 276 ? -5.006 1.150 4.557 1.00 59.75 ? 276 LEU A CD2 1 ATOM 2173 N N . ALA A 1 277 ? -10.087 3.207 4.500 1.00 55.10 ? 277 ALA A N 1 ATOM 2174 C CA . ALA A 1 277 ? -11.506 2.854 4.518 1.00 55.90 ? 277 ALA A CA 1 ATOM 2175 C C . ALA A 1 277 ? -12.307 3.688 3.493 1.00 60.67 ? 277 ALA A C 1 ATOM 2176 O O . ALA A 1 277 ? -13.134 3.144 2.740 1.00 62.87 ? 277 ALA A O 1 ATOM 2177 C CB . ALA A 1 277 ? -12.071 3.081 5.908 1.00 51.98 ? 277 ALA A CB 1 ATOM 2178 N N . ARG A 1 278 ? -12.076 5.001 3.483 1.00 56.84 ? 278 ARG A N 1 ATOM 2179 C CA . ARG A 1 278 ? -12.771 5.898 2.529 1.00 61.18 ? 278 ARG A CA 1 ATOM 2180 C C . ARG A 1 278 ? -12.475 5.525 1.096 1.00 60.50 ? 278 ARG A C 1 ATOM 2181 O O . ARG A 1 278 ? -13.373 5.467 0.249 1.00 63.40 ? 278 ARG A O 1 ATOM 2182 C CB . ARG A 1 278 ? -12.402 7.359 2.744 1.00 56.54 ? 278 ARG A CB 1 ATOM 2183 C CG . ARG A 1 278 ? -13.259 8.041 3.802 1.00 59.90 ? 278 ARG A CG 1 ATOM 2184 C CD . ARG A 1 278 ? -13.043 9.542 3.809 1.00 58.59 ? 278 ARG A CD 1 ATOM 2185 N NE . ARG A 1 278 ? -11.657 9.857 4.105 1.00 62.44 ? 278 ARG A NE 1 ATOM 2186 C CZ . ARG A 1 278 ? -11.153 9.954 5.333 1.00 64.64 ? 278 ARG A CZ 1 ATOM 2187 N NH1 . ARG A 1 278 ? -11.922 9.776 6.413 1.00 69.56 ? 278 ARG A NH1 1 ATOM 2188 N NH2 . ARG A 1 278 ? -9.871 10.236 5.479 1.00 58.92 ? 278 ARG A NH2 1 ATOM 2189 N N . GLU A 1 279 ? -11.204 5.262 0.824 1.00 62.66 ? 279 GLU A N 1 ATOM 2190 C CA . GLU A 1 279 ? -10.817 4.904 -0.516 1.00 61.28 ? 279 GLU A CA 1 ATOM 2191 C C . GLU A 1 279 ? -11.448 3.572 -0.911 1.00 64.67 ? 279 GLU A C 1 ATOM 2192 O O . GLU A 1 279 ? -11.755 3.333 -2.103 1.00 53.10 ? 279 GLU A O 1 ATOM 2193 C CB . GLU A 1 279 ? -9.288 4.924 -0.668 1.00 63.67 ? 279 GLU A CB 1 ATOM 2194 C CG . GLU A 1 279 ? -8.684 6.347 -0.652 1.00 64.14 ? 279 GLU A CG 1 ATOM 2195 C CD . GLU A 1 279 ? -9.172 7.265 -1.791 1.00 66.43 ? 279 GLU A CD 1 ATOM 2196 O OE1 . GLU A 1 279 ? -9.919 6.822 -2.684 1.00 64.07 ? 279 GLU A OE1 1 ATOM 2197 O OE2 . GLU A 1 279 ? -8.815 8.460 -1.806 1.00 65.87 ? 279 GLU A OE2 1 ATOM 2198 N N . LEU A 1 280 ? -11.712 2.747 0.107 1.00 65.51 ? 280 LEU A N 1 ATOM 2199 C CA . LEU A 1 280 ? -12.213 1.384 -0.083 1.00 62.56 ? 280 LEU A CA 1 ATOM 2200 C C . LEU A 1 280 ? -13.715 1.387 -0.327 1.00 59.12 ? 280 LEU A C 1 ATOM 2201 O O . LEU A 1 280 ? -14.204 0.590 -1.110 1.00 58.21 ? 280 LEU A O 1 ATOM 2202 C CB . LEU A 1 280 ? -11.881 0.515 1.151 1.00 59.48 ? 280 LEU A CB 1 ATOM 2203 C CG . LEU A 1 280 ? -11.289 -0.906 1.075 1.00 61.57 ? 280 LEU A CG 1 ATOM 2204 C CD1 . LEU A 1 280 ? -10.241 -1.154 -0.008 1.00 59.31 ? 280 LEU A CD1 1 ATOM 2205 C CD2 . LEU A 1 280 ? -10.674 -1.178 2.445 1.00 63.69 ? 280 LEU A CD2 1 ATOM 2206 N N . LYS A 1 281 ? -14.456 2.230 0.386 1.00 64.43 ? 281 LYS A N 1 ATOM 2207 C CA . LYS A 1 281 ? -15.903 2.326 0.180 1.00 67.12 ? 281 LYS A CA 1 ATOM 2208 C C . LYS A 1 281 ? -16.127 2.866 -1.221 1.00 73.96 ? 281 LYS A C 1 ATOM 2209 O O . LYS A 1 281 ? -16.882 2.303 -2.004 1.00 78.51 ? 281 LYS A O 1 ATOM 2210 C CB . LYS A 1 281 ? -16.533 3.249 1.222 1.00 72.70 ? 281 LYS A CB 1 ATOM 2211 C CG . LYS A 1 281 ? -17.860 3.897 0.833 1.00 75.66 ? 281 LYS A CG 1 ATOM 2212 C CD . LYS A 1 281 ? -18.903 2.888 0.360 1.00 79.64 ? 281 LYS A CD 1 ATOM 2213 C CE . LYS A 1 281 ? -20.289 3.191 0.925 1.00 77.71 ? 281 LYS A CE 1 ATOM 2214 N NZ . LYS A 1 281 ? -21.242 2.059 0.749 1.00 83.67 ? 281 LYS A NZ 1 ATOM 2215 N N . LYS A 1 282 ? -15.440 3.962 -1.524 1.00 78.80 ? 282 LYS A N 1 ATOM 2216 C CA . LYS A 1 282 ? -15.476 4.580 -2.844 1.00 80.30 ? 282 LYS A CA 1 ATOM 2217 C C . LYS A 1 282 ? -15.372 3.530 -3.956 1.00 77.96 ? 282 LYS A C 1 ATOM 2218 O O . LYS A 1 282 ? -16.065 3.621 -4.970 1.00 80.43 ? 282 LYS A O 1 ATOM 2219 C CB . LYS A 1 282 ? -14.349 5.613 -2.946 1.00 82.42 ? 282 LYS A CB 1 ATOM 2220 C CG . LYS A 1 282 ? -14.214 6.315 -4.287 1.00 87.57 ? 282 LYS A CG 1 ATOM 2221 C CD . LYS A 1 282 ? -13.454 7.623 -4.130 1.00 85.92 ? 282 LYS A CD 1 ATOM 2222 C CE . LYS A 1 282 ? -12.746 8.030 -5.415 1.00 89.66 ? 282 LYS A CE 1 ATOM 2223 N NZ . LYS A 1 282 ? -11.569 8.887 -5.113 1.00 90.76 ? 282 LYS A NZ 1 ATOM 2224 N N . LEU A 1 283 ? -14.513 2.537 -3.752 1.00 72.17 ? 283 LEU A N 1 ATOM 2225 C CA . LEU A 1 283 ? -14.290 1.498 -4.752 1.00 70.94 ? 283 LEU A CA 1 ATOM 2226 C C . LEU A 1 283 ? -15.282 0.343 -4.631 1.00 72.66 ? 283 LEU A C 1 ATOM 2227 O O . LEU A 1 283 ? -15.726 -0.208 -5.638 1.00 64.90 ? 283 LEU A O 1 ATOM 2228 C CB . LEU A 1 283 ? -12.857 0.968 -4.661 1.00 70.79 ? 283 LEU A CB 1 ATOM 2229 C CG . LEU A 1 283 ? -12.305 0.288 -5.915 1.00 74.36 ? 283 LEU A CG 1 ATOM 2230 C CD1 . LEU A 1 283 ? -11.001 0.940 -6.350 1.00 73.17 ? 283 LEU A CD1 1 ATOM 2231 C CD2 . LEU A 1 283 ? -12.112 -1.202 -5.678 1.00 75.29 ? 283 LEU A CD2 1 ATOM 2232 N N . ASN A 1 284 ? -15.623 -0.024 -3.400 1.00 65.31 ? 284 ASN A N 1 ATOM 2233 C CA . ASN A 1 284 ? -16.525 -1.159 -3.164 1.00 67.16 ? 284 ASN A CA 1 ATOM 2234 C C . ASN A 1 284 ? -17.756 -0.660 -2.404 1.00 67.13 ? 284 ASN A C 1 ATOM 2235 O O . ASN A 1 284 ? -17.907 -0.901 -1.195 1.00 66.65 ? 284 ASN A O 1 ATOM 2236 C CB . ASN A 1 284 ? -15.826 -2.273 -2.389 1.00 66.86 ? 284 ASN A CB 1 ATOM 2237 C CG . ASN A 1 284 ? -14.741 -2.960 -3.192 1.00 74.83 ? 284 ASN A CG 1 ATOM 2238 O OD1 . ASN A 1 284 ? -14.776 -2.986 -4.417 1.00 71.67 ? 284 ASN A OD1 1 ATOM 2239 N ND2 . ASN A 1 284 ? -13.769 -3.549 -2.492 1.00 76.20 ? 284 ASN A ND2 1 ATOM 2240 N N . PRO A 1 285 ? -18.657 0.043 -3.113 1.00 68.43 ? 285 PRO A N 1 ATOM 2241 C CA . PRO A 1 285 ? -19.686 0.791 -2.397 1.00 68.33 ? 285 PRO A CA 1 ATOM 2242 C C . PRO A 1 285 ? -20.718 -0.097 -1.735 1.00 66.30 ? 285 PRO A C 1 ATOM 2243 O O . PRO A 1 285 ? -21.551 0.368 -0.926 1.00 62.63 ? 285 PRO A O 1 ATOM 2244 C CB . PRO A 1 285 ? -20.305 1.658 -3.499 1.00 72.53 ? 285 PRO A CB 1 ATOM 2245 C CG . PRO A 1 285 ? -19.233 1.746 -4.539 1.00 67.04 ? 285 PRO A CG 1 ATOM 2246 C CD . PRO A 1 285 ? -18.686 0.356 -4.548 1.00 68.12 ? 285 PRO A CD 1 ATOM 2247 N N . GLN A 1 286 ? -20.633 -1.392 -2.021 1.00 59.85 ? 286 GLN A N 1 ATOM 2248 C CA . GLN A 1 286 ? -21.537 -2.371 -1.429 1.00 64.16 ? 286 GLN A CA 1 ATOM 2249 C C . GLN A 1 286 ? -21.010 -2.964 -0.119 1.00 64.85 ? 286 GLN A C 1 ATOM 2250 O O . GLN A 1 286 ? -21.754 -3.626 0.603 1.00 61.09 ? 286 GLN A O 1 ATOM 2251 C CB . GLN A 1 286 ? -21.835 -3.493 -2.427 1.00 20.00 ? 286 GLN A CB 1 ATOM 2252 C CG . GLN A 1 286 ? -20.607 -4.270 -2.871 1.00 20.00 ? 286 GLN A CG 1 ATOM 2253 C CD . GLN A 1 286 ? -19.637 -3.422 -3.670 1.00 20.00 ? 286 GLN A CD 1 ATOM 2254 O OE1 . GLN A 1 286 ? -19.926 -2.270 -3.997 1.00 20.00 ? 286 GLN A OE1 1 ATOM 2255 N NE2 . GLN A 1 286 ? -18.479 -3.988 -3.989 1.00 20.00 ? 286 GLN A NE2 1 ATOM 2256 N N . TRP A 1 287 ? -19.735 -2.733 0.189 1.00 67.46 ? 287 TRP A N 1 ATOM 2257 C CA . TRP A 1 287 ? -19.145 -3.297 1.428 1.00 62.41 ? 287 TRP A CA 1 ATOM 2258 C C . TRP A 1 287 ? -19.749 -2.793 2.778 1.00 59.94 ? 287 TRP A C 1 ATOM 2259 O O . TRP A 1 287 ? -20.047 -1.608 2.925 1.00 59.48 ? 287 TRP A O 1 ATOM 2260 C CB . TRP A 1 287 ? -17.597 -3.178 1.359 1.00 59.41 ? 287 TRP A CB 1 ATOM 2261 C CG . TRP A 1 287 ? -16.958 -4.318 0.599 1.00 62.77 ? 287 TRP A CG 1 ATOM 2262 C CD1 . TRP A 1 287 ? -17.607 -5.326 -0.071 1.00 63.56 ? 287 TRP A CD1 1 ATOM 2263 C CD2 . TRP A 1 287 ? -15.553 -4.573 0.418 1.00 70.22 ? 287 TRP A CD2 1 ATOM 2264 N NE1 . TRP A 1 287 ? -16.706 -6.191 -0.630 1.00 60.53 ? 287 TRP A NE1 1 ATOM 2265 C CE2 . TRP A 1 287 ? -15.437 -5.748 -0.365 1.00 66.99 ? 287 TRP A CE2 1 ATOM 2266 C CE3 . TRP A 1 287 ? -14.385 -3.935 0.849 1.00 68.54 ? 287 TRP A CE3 1 ATOM 2267 C CZ2 . TRP A 1 287 ? -14.197 -6.299 -0.728 1.00 67.60 ? 287 TRP A CZ2 1 ATOM 2268 C CZ3 . TRP A 1 287 ? -13.146 -4.493 0.479 1.00 70.07 ? 287 TRP A CZ3 1 ATOM 2269 C CH2 . TRP A 1 287 ? -13.071 -5.666 -0.298 1.00 68.32 ? 287 TRP A CH2 1 ATOM 2270 N N . ASP A 1 288 ? -19.957 -3.719 3.730 1.00 69.78 ? 288 ASP A N 1 ATOM 2271 C CA . ASP A 1 288 ? -20.391 -3.404 5.132 1.00 75.41 ? 288 ASP A CA 1 ATOM 2272 C C . ASP A 1 288 ? -19.565 -2.285 5.780 1.00 73.80 ? 288 ASP A C 1 ATOM 2273 O O . ASP A 1 288 ? -18.447 -2.003 5.355 1.00 65.19 ? 288 ASP A O 1 ATOM 2274 C CB . ASP A 1 288 ? -20.186 -4.609 6.071 1.00 72.42 ? 288 ASP A CB 1 ATOM 2275 C CG . ASP A 1 288 ? -21.170 -5.714 5.870 1.00 78.13 ? 288 ASP A CG 1 ATOM 2276 O OD1 . ASP A 1 288 ? -22.337 -5.544 6.272 1.00 74.19 ? 288 ASP A OD1 1 ATOM 2277 O OD2 . ASP A 1 288 ? -20.744 -6.783 5.377 1.00 82.12 ? 288 ASP A OD2 1 ATOM 2278 N N . GLY A 1 289 ? -20.102 -1.699 6.843 1.00 75.29 ? 289 GLY A N 1 ATOM 2279 C CA . GLY A 1 289 ? -19.313 -0.889 7.751 1.00 73.53 ? 289 GLY A CA 1 ATOM 2280 C C . GLY A 1 289 ? -18.245 -1.758 8.389 1.00 72.91 ? 289 GLY A C 1 ATOM 2281 O O . GLY A 1 289 ? -17.059 -1.419 8.379 1.00 82.44 ? 289 GLY A O 1 ATOM 2282 N N . GLU A 1 290 ? -18.672 -2.892 8.923 1.00 64.30 ? 290 GLU A N 1 ATOM 2283 C CA . GLU A 1 290 ? -17.767 -3.929 9.403 1.00 60.45 ? 290 GLU A CA 1 ATOM 2284 C C . GLU A 1 290 ? -16.708 -4.338 8.385 1.00 56.97 ? 290 GLU A C 1 ATOM 2285 O O . GLU A 1 290 ? -15.549 -4.445 8.709 1.00 51.41 ? 290 GLU A O 1 ATOM 2286 C CB . GLU A 1 290 ? -18.568 -5.167 9.801 1.00 63.14 ? 290 GLU A CB 1 ATOM 2287 C CG . GLU A 1 290 ? -17.739 -6.368 10.255 1.00 61.32 ? 290 GLU A CG 1 ATOM 2288 C CD . GLU A 1 290 ? -17.039 -6.153 11.585 1.00 60.20 ? 290 GLU A CD 1 ATOM 2289 O OE1 . GLU A 1 290 ? -17.251 -5.103 12.225 1.00 59.51 ? 290 GLU A OE1 1 ATOM 2290 O OE2 . GLU A 1 290 ? -16.271 -7.043 12.003 1.00 61.50 ? 290 GLU A OE2 1 ATOM 2291 N N . LYS A 1 291 ? -17.118 -4.575 7.157 1.00 59.79 ? 291 LYS A N 1 ATOM 2292 C CA . LYS A 1 291 ? -16.221 -5.095 6.113 1.00 65.71 ? 291 LYS A CA 1 ATOM 2293 C C . LYS A 1 291 ? -15.113 -4.088 5.801 1.00 64.20 ? 291 LYS A C 1 ATOM 2294 O O . LYS A 1 291 ? -13.954 -4.467 5.598 1.00 66.16 ? 291 LYS A O 1 ATOM 2295 C CB . LYS A 1 291 ? -17.029 -5.415 4.839 1.00 68.91 ? 291 LYS A CB 1 ATOM 2296 C CG . LYS A 1 291 ? -16.249 -5.877 3.621 1.00 70.83 ? 291 LYS A CG 1 ATOM 2297 C CD . LYS A 1 291 ? -15.910 -7.348 3.673 1.00 71.67 ? 291 LYS A CD 1 ATOM 2298 C CE . LYS A 1 291 ? -15.281 -7.778 2.367 1.00 69.77 ? 291 LYS A CE 1 ATOM 2299 N NZ . LYS A 1 291 ? -14.635 -9.107 2.489 1.00 72.52 ? 291 LYS A NZ 1 ATOM 2300 N N . LEU A 1 292 ? -15.487 -2.813 5.786 1.00 67.02 ? 292 LEU A N 1 ATOM 2301 C CA . LEU A 1 292 ? -14.549 -1.731 5.530 1.00 65.43 ? 292 LEU A CA 1 ATOM 2302 C C . LEU A 1 292 ? -13.544 -1.584 6.666 1.00 61.93 ? 292 LEU A C 1 ATOM 2303 O O . LEU A 1 292 ? -12.377 -1.273 6.427 1.00 52.17 ? 292 LEU A O 1 ATOM 2304 C CB . LEU A 1 292 ? -15.297 -0.414 5.316 1.00 68.26 ? 292 LEU A CB 1 ATOM 2305 C CG . LEU A 1 292 ? -16.523 -0.471 4.402 1.00 74.75 ? 292 LEU A CG 1 ATOM 2306 C CD1 . LEU A 1 292 ? -17.514 0.625 4.763 1.00 77.20 ? 292 LEU A CD1 1 ATOM 2307 C CD2 . LEU A 1 292 ? -16.110 -0.367 2.942 1.00 75.67 ? 292 LEU A CD2 1 ATOM 2308 N N . TYR A 1 293 ? -14.008 -1.793 7.894 1.00 55.93 ? 293 TYR A N 1 ATOM 2309 C CA . TYR A 1 293 ? -13.145 -1.714 9.065 1.00 55.25 ? 293 TYR A CA 1 ATOM 2310 C C . TYR A 1 293 ? -12.130 -2.847 9.026 1.00 55.33 ? 293 TYR A C 1 ATOM 2311 O O . TYR A 1 293 ? -10.921 -2.614 9.046 1.00 54.45 ? 293 TYR A O 1 ATOM 2312 C CB . TYR A 1 293 ? -13.971 -1.788 10.349 1.00 55.71 ? 293 TYR A CB 1 ATOM 2313 C CG . TYR A 1 293 ? -13.152 -2.055 11.591 1.00 52.52 ? 293 TYR A CG 1 ATOM 2314 C CD1 . TYR A 1 293 ? -12.592 -1.011 12.315 1.00 54.55 ? 293 TYR A CD1 1 ATOM 2315 C CD2 . TYR A 1 293 ? -12.938 -3.352 12.040 1.00 50.65 ? 293 TYR A CD2 1 ATOM 2316 C CE1 . TYR A 1 293 ? -11.842 -1.250 13.451 1.00 59.45 ? 293 TYR A CE1 1 ATOM 2317 C CE2 . TYR A 1 293 ? -12.190 -3.601 13.175 1.00 51.86 ? 293 TYR A CE2 1 ATOM 2318 C CZ . TYR A 1 293 ? -11.644 -2.547 13.876 1.00 59.44 ? 293 TYR A CZ 1 ATOM 2319 O OH . TYR A 1 293 ? -10.899 -2.790 15.007 1.00 60.38 ? 293 TYR A OH 1 ATOM 2320 N N . GLN A 1 294 ? -12.631 -4.076 8.965 1.00 49.43 ? 294 GLN A N 1 ATOM 2321 C CA . GLN A 1 294 ? -11.761 -5.255 8.837 1.00 50.30 ? 294 GLN A CA 1 ATOM 2322 C C . GLN A 1 294 ? -10.746 -5.233 7.671 1.00 59.56 ? 294 GLN A C 1 ATOM 2323 O O . GLN A 1 294 ? -9.606 -5.699 7.821 1.00 56.88 ? 294 GLN A O 1 ATOM 2324 C CB . GLN A 1 294 ? -12.602 -6.530 8.744 1.00 53.06 ? 294 GLN A CB 1 ATOM 2325 C CG . GLN A 1 294 ? -13.494 -6.810 9.945 1.00 52.13 ? 294 GLN A CG 1 ATOM 2326 C CD . GLN A 1 294 ? -12.703 -7.039 11.226 1.00 53.16 ? 294 GLN A CD 1 ATOM 2327 O OE1 . GLN A 1 294 ? -11.473 -7.141 11.220 1.00 49.20 ? 294 GLN A OE1 1 ATOM 2328 N NE2 . GLN A 1 294 ? -13.410 -7.119 12.328 1.00 52.71 ? 294 GLN A NE2 1 ATOM 2329 N N . GLU A 1 295 ? -11.132 -4.733 6.503 1.00 54.14 ? 295 GLU A N 1 ATOM 2330 C CA . GLU A 1 295 ? -10.210 -4.829 5.363 1.00 52.19 ? 295 GLU A CA 1 ATOM 2331 C C . GLU A 1 295 ? -9.131 -3.711 5.448 1.00 49.24 ? 295 GLU A C 1 ATOM 2332 O O . GLU A 1 295 ? -7.963 -3.899 5.023 1.00 41.65 ? 295 GLU A O 1 ATOM 2333 C CB . GLU A 1 295 ? -10.964 -4.826 4.001 1.00 57.26 ? 295 GLU A CB 1 ATOM 2334 C CG . GLU A 1 295 ? -11.706 -6.123 3.609 1.00 52.37 ? 295 GLU A CG 1 ATOM 2335 C CD . GLU A 1 295 ? -10.855 -7.160 2.855 1.00 51.42 ? 295 GLU A CD 1 ATOM 2336 O OE1 . GLU A 1 295 ? -9.929 -6.778 2.106 1.00 48.10 ? 295 GLU A OE1 1 ATOM 2337 O OE2 . GLU A 1 295 ? -11.096 -8.390 3.011 1.00 50.79 ? 295 GLU A OE2 1 ATOM 2338 N N . ALA A 1 296 ? -9.496 -2.546 5.997 1.00 45.44 ? 296 ALA A N 1 ATOM 2339 C CA . ALA A 1 296 ? -8.495 -1.492 6.257 1.00 47.75 ? 296 ALA A CA 1 ATOM 2340 C C . ALA A 1 296 ? -7.490 -2.047 7.289 1.00 48.56 ? 296 ALA A C 1 ATOM 2341 O O . ALA A 1 296 ? -6.323 -2.355 6.954 1.00 52.59 ? 296 ALA A O 1 ATOM 2342 C CB . ALA A 1 296 ? -9.173 -0.218 6.751 1.00 49.60 ? 296 ALA A CB 1 ATOM 2343 N N . ARG A 1 297 ? -8.016 -2.275 8.500 1.00 51.82 ? 297 ARG A N 1 ATOM 2344 C CA . ARG A 1 297 ? -7.342 -2.982 9.590 1.00 47.22 ? 297 ARG A CA 1 ATOM 2345 C C . ARG A 1 297 ? -6.416 -4.130 9.262 1.00 46.00 ? 297 ARG A C 1 ATOM 2346 O O . ARG A 1 297 ? -5.338 -4.220 9.830 1.00 42.38 ? 297 ARG A O 1 ATOM 2347 C CB . ARG A 1 297 ? -8.372 -3.629 10.510 1.00 47.91 ? 297 ARG A CB 1 ATOM 2348 C CG . ARG A 1 297 ? -7.791 -4.644 11.492 1.00 52.43 ? 297 ARG A CG 1 ATOM 2349 C CD . ARG A 1 297 ? -8.554 -4.692 12.825 1.00 48.19 ? 297 ARG A CD 1 ATOM 2350 N NE . ARG A 1 297 ? -7.879 -5.596 13.757 1.00 48.92 ? 297 ARG A NE 1 ATOM 2351 C CZ . ARG A 1 297 ? -8.129 -6.897 13.932 1.00 50.80 ? 297 ARG A CZ 1 ATOM 2352 N NH1 . ARG A 1 297 ? -9.103 -7.495 13.270 1.00 50.83 ? 297 ARG A NH1 1 ATOM 2353 N NH2 . ARG A 1 297 ? -7.404 -7.610 14.819 1.00 49.18 ? 297 ARG A NH2 1 ATOM 2354 N N . LYS A 1 298 ? -6.797 -4.929 8.273 1.00 42.57 ? 298 LYS A N 1 ATOM 2355 C CA . LYS A 1 298 ? -5.952 -5.910 7.625 1.00 41.68 ? 298 LYS A CA 1 ATOM 2356 C C . LYS A 1 298 ? -4.801 -5.307 6.830 1.00 46.21 ? 298 LYS A C 1 ATOM 2357 O O . LYS A 1 298 ? -3.649 -5.725 6.969 1.00 47.38 ? 298 LYS A O 1 ATOM 2358 C CB . LYS A 1 298 ? -6.802 -6.808 6.706 1.00 45.47 ? 298 LYS A CB 1 ATOM 2359 C CG . LYS A 1 298 ? -6.193 -8.163 6.393 1.00 45.51 ? 298 LYS A CG 1 ATOM 2360 C CD . LYS A 1 298 ? -7.041 -8.891 5.350 1.00 46.60 ? 298 LYS A CD 1 ATOM 2361 C CE . LYS A 1 298 ? -6.239 -9.967 4.642 1.00 45.74 ? 298 LYS A CE 1 ATOM 2362 N NZ . LYS A 1 298 ? -7.130 -11.078 4.201 1.00 47.01 ? 298 LYS A NZ 1 ATOM 2363 N N . ILE A 1 299 ? -5.106 -4.309 6.000 1.00 47.60 ? 299 ILE A N 1 ATOM 2364 C CA . ILE A 1 299 ? -4.053 -3.620 5.264 1.00 45.76 ? 299 ILE A CA 1 ATOM 2365 C C . ILE A 1 299 ? -3.117 -2.863 6.236 1.00 40.26 ? 299 ILE A C 1 ATOM 2366 O O . ILE A 1 299 ? -1.927 -2.882 6.047 1.00 40.06 ? 299 ILE A O 1 ATOM 2367 C CB . ILE A 1 299 ? -4.607 -2.658 4.182 1.00 47.56 ? 299 ILE A CB 1 ATOM 2368 C CG1 . ILE A 1 299 ? -5.578 -3.366 3.240 1.00 47.62 ? 299 ILE A CG1 1 ATOM 2369 C CG2 . ILE A 1 299 ? -3.472 -2.170 3.312 1.00 52.11 ? 299 ILE A CG2 1 ATOM 2370 C CD1 . ILE A 1 299 ? -6.664 -2.471 2.685 1.00 49.80 ? 299 ILE A CD1 1 ATOM 2371 N N . LEU A 1 300 ? -3.649 -2.239 7.288 1.00 37.30 ? 300 LEU A N 1 ATOM 2372 C CA . LEU A 1 300 ? -2.786 -1.521 8.187 1.00 37.41 ? 300 LEU A CA 1 ATOM 2373 C C . LEU A 1 300 ? -1.816 -2.500 8.875 1.00 43.63 ? 300 LEU A C 1 ATOM 2374 O O . LEU A 1 300 ? -0.610 -2.288 8.903 1.00 44.88 ? 300 LEU A O 1 ATOM 2375 C CB . LEU A 1 300 ? -3.593 -0.733 9.202 1.00 36.65 ? 300 LEU A CB 1 ATOM 2376 C CG . LEU A 1 300 ? -2.793 0.309 10.012 1.00 36.84 ? 300 LEU A CG 1 ATOM 2377 C CD1 . LEU A 1 300 ? -1.955 1.217 9.112 1.00 41.06 ? 300 LEU A CD1 1 ATOM 2378 C CD2 . LEU A 1 300 ? -3.714 1.131 10.873 1.00 40.82 ? 300 LEU A CD2 1 ATOM 2379 N N . GLY A 1 301 ? -2.370 -3.591 9.392 1.00 43.94 ? 301 GLY A N 1 ATOM 2380 C CA . GLY A 1 301 ? -1.592 -4.646 10.017 1.00 46.04 ? 301 GLY A CA 1 ATOM 2381 C C . GLY A 1 301 ? -0.470 -5.119 9.124 1.00 46.27 ? 301 GLY A C 1 ATOM 2382 O O . GLY A 1 301 ? 0.670 -5.331 9.577 1.00 45.78 ? 301 GLY A O 1 ATOM 2383 N N . ALA A 1 302 ? -0.782 -5.221 7.841 1.00 41.03 ? 302 ALA A N 1 ATOM 2384 C CA . ALA A 1 302 ? 0.198 -5.614 6.862 1.00 42.18 ? 302 ALA A CA 1 ATOM 2385 C C . ALA A 1 302 ? 1.273 -4.552 6.668 1.00 44.78 ? 302 ALA A C 1 ATOM 2386 O O . ALA A 1 302 ? 2.422 -4.869 6.353 1.00 43.90 ? 302 ALA A O 1 ATOM 2387 C CB . ALA A 1 302 ? -0.515 -5.925 5.547 1.00 43.02 ? 302 ALA A CB 1 ATOM 2388 N N . PHE A 1 303 ? 0.884 -3.284 6.818 1.00 45.21 ? 303 PHE A N 1 ATOM 2389 C CA . PHE A 1 303 ? 1.845 -2.197 6.741 1.00 45.17 ? 303 PHE A CA 1 ATOM 2390 C C . PHE A 1 303 ? 2.835 -2.298 7.945 1.00 38.72 ? 303 PHE A C 1 ATOM 2391 O O . PHE A 1 303 ? 4.062 -2.160 7.795 1.00 32.58 ? 303 PHE A O 1 ATOM 2392 C CB . PHE A 1 303 ? 1.096 -0.855 6.722 1.00 46.19 ? 303 PHE A CB 1 ATOM 2393 C CG . PHE A 1 303 ? 1.996 0.350 6.862 1.00 44.76 ? 303 PHE A CG 1 ATOM 2394 C CD1 . PHE A 1 303 ? 2.606 0.911 5.759 1.00 44.39 ? 303 PHE A CD1 1 ATOM 2395 C CD2 . PHE A 1 303 ? 2.237 0.892 8.094 1.00 40.14 ? 303 PHE A CD2 1 ATOM 2396 C CE1 . PHE A 1 303 ? 3.447 2.003 5.900 1.00 46.46 ? 303 PHE A CE1 1 ATOM 2397 C CE2 . PHE A 1 303 ? 3.050 1.969 8.255 1.00 40.02 ? 303 PHE A CE2 1 ATOM 2398 C CZ . PHE A 1 303 ? 3.659 2.540 7.160 1.00 45.06 ? 303 PHE A CZ 1 ATOM 2399 N N . VAL A 1 304 ? 2.314 -2.558 9.130 1.00 38.89 ? 304 VAL A N 1 ATOM 2400 C CA . VAL A 1 304 ? 3.193 -2.533 10.349 1.00 39.13 ? 304 VAL A CA 1 ATOM 2401 C C . VAL A 1 304 ? 4.250 -3.599 10.098 1.00 37.43 ? 304 VAL A C 1 ATOM 2402 O O . VAL A 1 304 ? 5.449 -3.360 10.233 1.00 40.00 ? 304 VAL A O 1 ATOM 2403 C CB . VAL A 1 304 ? 2.424 -2.813 11.654 1.00 40.16 ? 304 VAL A CB 1 ATOM 2404 C CG1 . VAL A 1 304 ? 3.358 -2.819 12.883 1.00 40.10 ? 304 VAL A CG1 1 ATOM 2405 C CG2 . VAL A 1 304 ? 1.307 -1.824 11.823 1.00 41.53 ? 304 VAL A CG2 1 ATOM 2406 N N . GLN A 1 305 ? 3.791 -4.743 9.619 1.00 36.07 ? 305 GLN A N 1 ATOM 2407 C CA . GLN A 1 305 ? 4.656 -5.891 9.420 1.00 37.59 ? 305 GLN A CA 1 ATOM 2408 C C . GLN A 1 305 ? 5.738 -5.597 8.441 1.00 32.80 ? 305 GLN A C 1 ATOM 2409 O O . GLN A 1 305 ? 6.905 -5.914 8.716 1.00 28.87 ? 305 GLN A O 1 ATOM 2410 C CB . GLN A 1 305 ? 3.861 -7.160 9.005 1.00 37.35 ? 305 GLN A CB 1 ATOM 2411 C CG . GLN A 1 305 ? 2.796 -7.585 10.006 1.00 40.11 ? 305 GLN A CG 1 ATOM 2412 C CD . GLN A 1 305 ? 2.128 -8.865 9.596 1.00 42.85 ? 305 GLN A CD 1 ATOM 2413 O OE1 . GLN A 1 305 ? 2.299 -9.343 8.458 1.00 40.30 ? 305 GLN A OE1 1 ATOM 2414 N NE2 . GLN A 1 305 ? 1.415 -9.468 10.527 1.00 39.81 ? 305 GLN A NE2 1 ATOM 2415 N N . ILE A 1 306 ? 5.369 -4.959 7.324 1.00 40.05 ? 306 ILE A N 1 ATOM 2416 C CA . ILE A 1 306 ? 6.304 -4.771 6.197 1.00 35.41 ? 306 ILE A CA 1 ATOM 2417 C C . ILE A 1 306 ? 7.328 -3.744 6.554 1.00 33.90 ? 306 ILE A C 1 ATOM 2418 O O . ILE A 1 306 ? 8.520 -3.989 6.398 1.00 40.57 ? 306 ILE A O 1 ATOM 2419 C CB . ILE A 1 306 ? 5.595 -4.391 4.889 1.00 40.51 ? 306 ILE A CB 1 ATOM 2420 C CG1 . ILE A 1 306 ? 4.797 -5.581 4.402 1.00 43.34 ? 306 ILE A CG1 1 ATOM 2421 C CG2 . ILE A 1 306 ? 6.612 -3.965 3.808 1.00 37.68 ? 306 ILE A CG2 1 ATOM 2422 C CD1 . ILE A 1 306 ? 3.617 -5.186 3.546 1.00 52.18 ? 306 ILE A CD1 1 ATOM 2423 N N . ILE A 1 307 ? 6.894 -2.596 7.041 1.00 37.23 ? 307 ILE A N 1 ATOM 2424 C CA . ILE A 1 307 ? 7.879 -1.612 7.538 1.00 40.01 ? 307 ILE A CA 1 ATOM 2425 C C . ILE A 1 307 ? 8.842 -2.263 8.547 1.00 35.65 ? 307 ILE A C 1 ATOM 2426 O O . ILE A 1 307 ? 10.079 -2.094 8.480 1.00 40.32 ? 307 ILE A O 1 ATOM 2427 C CB . ILE A 1 307 ? 7.179 -0.397 8.159 1.00 44.00 ? 307 ILE A CB 1 ATOM 2428 C CG1 . ILE A 1 307 ? 6.225 0.248 7.147 1.00 49.07 ? 307 ILE A CG1 1 ATOM 2429 C CG2 . ILE A 1 307 ? 8.183 0.653 8.622 1.00 45.76 ? 307 ILE A CG2 1 ATOM 2430 C CD1 . ILE A 1 307 ? 6.821 0.578 5.797 1.00 52.16 ? 307 ILE A CD1 1 ATOM 2431 N N . THR A 1 308 ? 8.283 -3.045 9.464 1.00 32.49 ? 308 THR A N 1 ATOM 2432 C CA . THR A 1 308 ? 9.104 -3.648 10.547 1.00 34.79 ? 308 THR A CA 1 ATOM 2433 C C . THR A 1 308 ? 10.153 -4.599 10.025 1.00 32.72 ? 308 THR A C 1 ATOM 2434 O O . THR A 1 308 ? 11.330 -4.489 10.388 1.00 34.66 ? 308 THR A O 1 ATOM 2435 C CB . THR A 1 308 ? 8.233 -4.347 11.620 1.00 36.10 ? 308 THR A CB 1 ATOM 2436 O OG1 . THR A 1 308 ? 7.303 -3.416 12.169 1.00 38.09 ? 308 THR A OG1 1 ATOM 2437 C CG2 . THR A 1 308 ? 9.061 -4.892 12.812 1.00 36.02 ? 308 THR A CG2 1 ATOM 2438 N N . PHE A 1 309 ? 9.756 -5.522 9.153 1.00 36.72 ? 309 PHE A N 1 ATOM 2439 C CA . PHE A 1 309 ? 10.652 -6.610 8.784 1.00 35.96 ? 309 PHE A CA 1 ATOM 2440 C C . PHE A 1 309 ? 11.491 -6.265 7.602 1.00 37.45 ? 309 PHE A C 1 ATOM 2441 O O . PHE A 1 309 ? 12.589 -6.778 7.475 1.00 40.24 ? 309 PHE A O 1 ATOM 2442 C CB . PHE A 1 309 ? 9.872 -7.883 8.504 1.00 39.00 ? 309 PHE A CB 1 ATOM 2443 C CG . PHE A 1 309 ? 9.632 -8.711 9.729 1.00 37.08 ? 309 PHE A CG 1 ATOM 2444 C CD1 . PHE A 1 309 ? 8.745 -8.280 10.712 1.00 33.94 ? 309 PHE A CD1 1 ATOM 2445 C CD2 . PHE A 1 309 ? 10.267 -9.913 9.888 1.00 34.04 ? 309 PHE A CD2 1 ATOM 2446 C CE1 . PHE A 1 309 ? 8.515 -9.037 11.842 1.00 34.10 ? 309 PHE A CE1 1 ATOM 2447 C CE2 . PHE A 1 309 ? 10.020 -10.695 11.025 1.00 41.73 ? 309 PHE A CE2 1 ATOM 2448 C CZ . PHE A 1 309 ? 9.132 -10.253 11.991 1.00 35.08 ? 309 PHE A CZ 1 ATOM 2449 N N . ARG A 1 310 ? 10.970 -5.419 6.725 1.00 39.73 ? 310 ARG A N 1 ATOM 2450 C CA . ARG A 1 310 ? 11.739 -4.970 5.594 1.00 41.58 ? 310 ARG A CA 1 ATOM 2451 C C . ARG A 1 310 ? 12.640 -3.783 5.910 1.00 38.17 ? 310 ARG A C 1 ATOM 2452 O O . ARG A 1 310 ? 13.798 -3.788 5.540 1.00 39.87 ? 310 ARG A O 1 ATOM 2453 C CB . ARG A 1 310 ? 10.838 -4.646 4.421 1.00 42.30 ? 310 ARG A CB 1 ATOM 2454 C CG . ARG A 1 310 ? 11.652 -4.502 3.122 1.00 46.44 ? 310 ARG A CG 1 ATOM 2455 C CD . ARG A 1 310 ? 10.961 -3.723 2.020 1.00 43.18 ? 310 ARG A CD 1 ATOM 2456 N NE . ARG A 1 310 ? 10.493 -2.438 2.514 1.00 44.43 ? 310 ARG A NE 1 ATOM 2457 C CZ . ARG A 1 310 ? 9.370 -1.834 2.151 1.00 44.12 ? 310 ARG A CZ 1 ATOM 2458 N NH1 . ARG A 1 310 ? 8.577 -2.375 1.240 1.00 48.25 ? 310 ARG A NH1 1 ATOM 2459 N NH2 . ARG A 1 310 ? 9.040 -0.677 2.695 1.00 40.87 ? 310 ARG A NH2 1 ATOM 2460 N N . ASP A 1 311 ? 12.150 -2.770 6.608 1.00 36.72 ? 311 ASP A N 1 ATOM 2461 C CA . ASP A 1 311 ? 13.004 -1.594 6.838 1.00 38.08 ? 311 ASP A CA 1 ATOM 2462 C C . ASP A 1 311 ? 13.677 -1.540 8.214 1.00 35.65 ? 311 ASP A C 1 ATOM 2463 O O . ASP A 1 311 ? 14.838 -1.178 8.346 1.00 39.83 ? 311 ASP A O 1 ATOM 2464 C CB . ASP A 1 311 ? 12.211 -0.336 6.529 1.00 37.79 ? 311 ASP A CB 1 ATOM 2465 C CG . ASP A 1 311 ? 11.585 -0.379 5.123 1.00 39.78 ? 311 ASP A CG 1 ATOM 2466 O OD1 . ASP A 1 311 ? 12.266 -0.896 4.196 1.00 43.14 ? 311 ASP A OD1 1 ATOM 2467 O OD2 . ASP A 1 311 ? 10.430 0.059 4.965 1.00 37.89 ? 311 ASP A OD2 1 ATOM 2468 N N . TYR A 1 312 ? 12.958 -1.935 9.233 1.00 37.90 ? 312 TYR A N 1 ATOM 2469 C CA . TYR A 1 312 ? 13.433 -1.742 10.583 1.00 33.84 ? 312 TYR A CA 1 ATOM 2470 C C . TYR A 1 312 ? 14.383 -2.809 11.030 1.00 32.77 ? 312 TYR A C 1 ATOM 2471 O O . TYR A 1 312 ? 15.540 -2.508 11.384 1.00 37.50 ? 312 TYR A O 1 ATOM 2472 C CB . TYR A 1 312 ? 12.247 -1.661 11.518 1.00 35.84 ? 312 TYR A CB 1 ATOM 2473 C CG . TYR A 1 312 ? 12.635 -1.448 12.959 1.00 36.47 ? 312 TYR A CG 1 ATOM 2474 C CD1 . TYR A 1 312 ? 13.119 -0.213 13.387 1.00 34.03 ? 312 TYR A CD1 1 ATOM 2475 C CD2 . TYR A 1 312 ? 12.454 -2.482 13.924 1.00 37.13 ? 312 TYR A CD2 1 ATOM 2476 C CE1 . TYR A 1 312 ? 13.443 0.010 14.727 1.00 37.42 ? 312 TYR A CE1 1 ATOM 2477 C CE2 . TYR A 1 312 ? 12.770 -2.264 15.276 1.00 32.04 ? 312 TYR A CE2 1 ATOM 2478 C CZ . TYR A 1 312 ? 13.273 -1.030 15.659 1.00 33.73 ? 312 TYR A CZ 1 ATOM 2479 O OH . TYR A 1 312 ? 13.633 -0.817 16.936 1.00 32.24 ? 312 TYR A OH 1 ATOM 2480 N N . LEU A 1 313 ? 13.971 -4.069 11.006 1.00 31.92 ? 313 LEU A N 1 ATOM 2481 C CA . LEU A 1 313 ? 14.826 -5.105 11.627 1.00 34.32 ? 313 LEU A CA 1 ATOM 2482 C C . LEU A 1 313 ? 16.207 -5.282 10.980 1.00 35.05 ? 313 LEU A C 1 ATOM 2483 O O . LEU A 1 313 ? 17.208 -5.530 11.678 1.00 35.12 ? 313 LEU A O 1 ATOM 2484 C CB . LEU A 1 313 ? 14.085 -6.468 11.706 1.00 37.27 ? 313 LEU A CB 1 ATOM 2485 C CG . LEU A 1 313 ? 12.828 -6.379 12.570 1.00 34.79 ? 313 LEU A CG 1 ATOM 2486 C CD1 . LEU A 1 313 ? 11.895 -7.555 12.333 1.00 40.55 ? 313 LEU A CD1 1 ATOM 2487 C CD2 . LEU A 1 313 ? 13.228 -6.305 14.015 1.00 30.80 ? 313 LEU A CD2 1 ATOM 2488 N N . PRO A 1 314 ? 16.276 -5.154 9.650 1.00 34.75 ? 314 PRO A N 1 ATOM 2489 C CA . PRO A 1 314 ? 17.587 -5.207 9.079 1.00 35.95 ? 314 PRO A CA 1 ATOM 2490 C C . PRO A 1 314 ? 18.592 -4.231 9.670 1.00 36.54 ? 314 PRO A C 1 ATOM 2491 O O . PRO A 1 314 ? 19.749 -4.572 9.784 1.00 39.93 ? 314 PRO A O 1 ATOM 2492 C CB . PRO A 1 314 ? 17.321 -4.997 7.573 1.00 39.43 ? 314 PRO A CB 1 ATOM 2493 C CG . PRO A 1 314 ? 15.961 -5.565 7.360 1.00 37.14 ? 314 PRO A CG 1 ATOM 2494 C CD . PRO A 1 314 ? 15.211 -5.209 8.619 1.00 37.55 ? 314 PRO A CD 1 ATOM 2495 N N . ILE A 1 315 ? 18.148 -3.055 10.110 1.00 40.59 ? 315 ILE A N 1 ATOM 2496 C CA . ILE A 1 315 ? 19.065 -2.001 10.582 1.00 39.32 ? 315 ILE A CA 1 ATOM 2497 C C . ILE A 1 315 ? 19.189 -1.943 12.106 1.00 34.81 ? 315 ILE A C 1 ATOM 2498 O O . ILE A 1 315 ? 19.985 -1.177 12.680 1.00 31.45 ? 315 ILE A O 1 ATOM 2499 C CB . ILE A 1 315 ? 18.726 -0.623 9.971 1.00 39.35 ? 315 ILE A CB 1 ATOM 2500 C CG1 . ILE A 1 315 ? 17.316 -0.196 10.293 1.00 47.60 ? 315 ILE A CG1 1 ATOM 2501 C CG2 . ILE A 1 315 ? 18.895 -0.706 8.454 1.00 43.45 ? 315 ILE A CG2 1 ATOM 2502 C CD1 . ILE A 1 315 ? 17.030 1.275 10.034 1.00 52.34 ? 315 ILE A CD1 1 ATOM 2503 N N . VAL A 1 316 ? 18.390 -2.773 12.769 1.00 32.02 ? 316 VAL A N 1 ATOM 2504 C CA . VAL A 1 316 ? 18.427 -2.879 14.221 1.00 33.64 ? 316 VAL A CA 1 ATOM 2505 C C . VAL A 1 316 ? 19.191 -4.131 14.634 1.00 31.09 ? 316 VAL A C 1 ATOM 2506 O O . VAL A 1 316 ? 19.539 -4.304 15.802 1.00 31.22 ? 316 VAL A O 1 ATOM 2507 C CB . VAL A 1 316 ? 17.010 -2.929 14.821 1.00 32.67 ? 316 VAL A CB 1 ATOM 2508 C CG1 . VAL A 1 316 ? 17.076 -3.202 16.316 1.00 33.66 ? 316 VAL A CG1 1 ATOM 2509 C CG2 . VAL A 1 316 ? 16.270 -1.629 14.542 1.00 27.74 ? 316 VAL A CG2 1 ATOM 2510 N N . LEU A 1 317 ? 19.448 -5.002 13.663 1.00 34.49 ? 317 LEU A N 1 ATOM 2511 C CA . LEU A 1 317 ? 20.182 -6.236 13.908 1.00 34.19 ? 317 LEU A CA 1 ATOM 2512 C C . LEU A 1 317 ? 21.544 -6.204 13.222 1.00 36.32 ? 317 LEU A C 1 ATOM 2513 O O . LEU A 1 317 ? 22.581 -6.325 13.875 1.00 42.00 ? 317 LEU A O 1 ATOM 2514 C CB . LEU A 1 317 ? 19.378 -7.444 13.425 1.00 33.94 ? 317 LEU A CB 1 ATOM 2515 C CG . LEU A 1 317 ? 18.205 -7.875 14.308 1.00 39.52 ? 317 LEU A CG 1 ATOM 2516 C CD1 . LEU A 1 317 ? 17.435 -9.016 13.660 1.00 39.39 ? 317 LEU A CD1 1 ATOM 2517 C CD2 . LEU A 1 317 ? 18.692 -8.270 15.694 1.00 45.08 ? 317 LEU A CD2 1 ATOM 2518 N N . GLY A 1 318 ? 21.535 -6.040 11.903 1.00 38.01 ? 318 GLY A N 1 ATOM 2519 C CA . GLY A 1 318 ? 22.759 -5.976 11.142 1.00 39.66 ? 318 GLY A CA 1 ATOM 2520 C C . GLY A 1 318 ? 23.125 -7.322 10.552 1.00 37.06 ? 318 GLY A C 1 ATOM 2521 O O . GLY A 1 318 ? 22.300 -8.000 10.009 1.00 35.23 ? 318 GLY A O 1 ATOM 2522 N N . SER A 1 319 ? 24.383 -7.659 10.687 1.00 42.38 ? 319 SER A N 1 ATOM 2523 C CA . SER A 1 319 ? 24.936 -8.983 10.386 1.00 51.07 ? 319 SER A CA 1 ATOM 2524 C C . SER A 1 319 ? 24.109 -10.177 10.865 1.00 51.75 ? 319 SER A C 1 ATOM 2525 O O . SER A 1 319 ? 24.161 -11.240 10.255 1.00 53.41 ? 319 SER A O 1 ATOM 2526 C CB . SER A 1 319 ? 26.314 -9.093 11.046 1.00 44.47 ? 319 SER A CB 1 ATOM 2527 O OG . SER A 1 319 ? 26.161 -9.093 12.438 1.00 51.35 ? 319 SER A OG 1 ATOM 2528 N N . GLU A 1 320 ? 23.367 -10.028 11.958 1.00 48.06 ? 320 GLU A N 1 ATOM 2529 C CA . GLU A 1 320 ? 22.658 -11.166 12.517 1.00 46.18 ? 320 GLU A CA 1 ATOM 2530 C C . GLU A 1 320 ? 21.266 -11.343 11.896 1.00 45.43 ? 320 GLU A C 1 ATOM 2531 O O . GLU A 1 320 ? 20.534 -12.274 12.186 1.00 44.79 ? 320 GLU A O 1 ATOM 2532 C CB . GLU A 1 320 ? 22.568 -11.011 14.047 1.00 50.48 ? 320 GLU A CB 1 ATOM 2533 C CG . GLU A 1 320 ? 23.895 -10.714 14.732 1.00 55.66 ? 320 GLU A CG 1 ATOM 2534 C CD . GLU A 1 320 ? 24.934 -11.797 14.546 1.00 55.94 ? 320 GLU A CD 1 ATOM 2535 O OE1 . GLU A 1 320 ? 24.737 -12.897 15.083 1.00 63.75 ? 320 GLU A OE1 1 ATOM 2536 O OE2 . GLU A 1 320 ? 25.947 -11.545 13.879 1.00 53.51 ? 320 GLU A OE2 1 ATOM 2537 N N . MET A 1 321 ? 20.869 -10.429 11.041 1.00 46.48 ? 321 MET A N 1 ATOM 2538 C CA . MET A 1 321 ? 19.532 -10.486 10.471 1.00 45.92 ? 321 MET A CA 1 ATOM 2539 C C . MET A 1 321 ? 19.250 -11.850 9.796 1.00 51.15 ? 321 MET A C 1 ATOM 2540 O O . MET A 1 321 ? 18.177 -12.464 9.975 1.00 54.69 ? 321 MET A O 1 ATOM 2541 C CB . MET A 1 321 ? 19.403 -9.332 9.467 1.00 42.05 ? 321 MET A CB 1 ATOM 2542 C CG . MET A 1 321 ? 18.083 -9.253 8.735 1.00 43.26 ? 321 MET A CG 1 ATOM 2543 S SD . MET A 1 321 ? 16.660 -8.910 9.770 1.00 42.82 ? 321 MET A SD 1 ATOM 2544 C CE . MET A 1 321 ? 15.296 -9.273 8.694 1.00 39.89 ? 321 MET A CE 1 ATOM 2545 N N . GLN A 1 322 ? 20.216 -12.323 9.034 1.00 48.88 ? 322 GLN A N 1 ATOM 2546 C CA . GLN A 1 322 ? 20.028 -13.505 8.199 1.00 56.44 ? 322 GLN A CA 1 ATOM 2547 C C . GLN A 1 322 ? 20.108 -14.717 9.091 1.00 51.26 ? 322 GLN A C 1 ATOM 2548 O O . GLN A 1 322 ? 19.391 -15.683 8.903 1.00 64.11 ? 322 GLN A O 1 ATOM 2549 C CB . GLN A 1 322 ? 21.092 -13.581 7.084 1.00 56.61 ? 322 GLN A CB 1 ATOM 2550 C CG . GLN A 1 322 ? 21.025 -12.442 6.067 1.00 62.81 ? 322 GLN A CG 1 ATOM 2551 C CD . GLN A 1 322 ? 21.146 -11.061 6.728 1.00 68.56 ? 322 GLN A CD 1 ATOM 2552 O OE1 . GLN A 1 322 ? 21.965 -10.862 7.633 1.00 66.20 ? 322 GLN A OE1 1 ATOM 2553 N NE2 . GLN A 1 322 ? 20.320 -10.110 6.290 1.00 66.93 ? 322 GLN A NE2 1 ATOM 2554 N N . LYS A 1 323 ? 21.006 -14.648 10.059 1.00 47.62 ? 323 LYS A N 1 ATOM 2555 C CA . LYS A 1 323 ? 21.194 -15.704 11.035 1.00 48.01 ? 323 LYS A CA 1 ATOM 2556 C C . LYS A 1 323 ? 19.960 -16.032 11.893 1.00 53.27 ? 323 LYS A C 1 ATOM 2557 O O . LYS A 1 323 ? 19.920 -17.122 12.470 1.00 47.30 ? 323 LYS A O 1 ATOM 2558 C CB . LYS A 1 323 ? 22.335 -15.319 11.986 1.00 54.01 ? 323 LYS A CB 1 ATOM 2559 C CG . LYS A 1 323 ? 22.973 -16.490 12.714 1.00 55.52 ? 323 LYS A CG 1 ATOM 2560 C CD . LYS A 1 323 ? 24.212 -16.071 13.497 1.00 63.41 ? 323 LYS A CD 1 ATOM 2561 C CE . LYS A 1 323 ? 23.905 -15.814 14.969 1.00 64.90 ? 323 LYS A CE 1 ATOM 2562 N NZ . LYS A 1 323 ? 23.365 -17.021 15.639 1.00 69.55 ? 323 LYS A NZ 1 ATOM 2563 N N . TRP A 1 324 ? 18.992 -15.105 12.038 1.00 51.22 ? 324 TRP A N 1 ATOM 2564 C CA . TRP A 1 324 ? 17.799 -15.372 12.882 1.00 47.35 ? 324 TRP A CA 1 ATOM 2565 C C . TRP A 1 324 ? 16.495 -15.212 12.135 1.00 46.76 ? 324 TRP A C 1 ATOM 2566 O O . TRP A 1 324 ? 15.475 -15.714 12.570 1.00 57.07 ? 324 TRP A O 1 ATOM 2567 C CB . TRP A 1 324 ? 17.769 -14.473 14.124 1.00 46.47 ? 324 TRP A CB 1 ATOM 2568 C CG . TRP A 1 324 ? 18.914 -14.653 15.006 1.00 46.69 ? 324 TRP A CG 1 ATOM 2569 C CD1 . TRP A 1 324 ? 20.018 -13.865 15.091 1.00 45.05 ? 324 TRP A CD1 1 ATOM 2570 C CD2 . TRP A 1 324 ? 19.119 -15.735 15.905 1.00 51.40 ? 324 TRP A CD2 1 ATOM 2571 N NE1 . TRP A 1 324 ? 20.893 -14.368 16.013 1.00 45.90 ? 324 TRP A NE1 1 ATOM 2572 C CE2 . TRP A 1 324 ? 20.361 -15.522 16.533 1.00 51.45 ? 324 TRP A CE2 1 ATOM 2573 C CE3 . TRP A 1 324 ? 18.356 -16.847 16.265 1.00 55.05 ? 324 TRP A CE3 1 ATOM 2574 C CZ2 . TRP A 1 324 ? 20.873 -16.396 17.496 1.00 56.96 ? 324 TRP A CZ2 1 ATOM 2575 C CZ3 . TRP A 1 324 ? 18.852 -17.715 17.229 1.00 60.18 ? 324 TRP A CZ3 1 ATOM 2576 C CH2 . TRP A 1 324 ? 20.105 -17.492 17.830 1.00 60.39 ? 324 TRP A CH2 1 ATOM 2577 N N . ILE A 1 325 ? 16.510 -14.469 11.039 1.00 45.48 ? 325 ILE A N 1 ATOM 2578 C CA . ILE A 1 325 ? 15.304 -14.227 10.287 1.00 48.11 ? 325 ILE A CA 1 ATOM 2579 C C . ILE A 1 325 ? 15.634 -14.496 8.810 1.00 51.65 ? 325 ILE A C 1 ATOM 2580 O O . ILE A 1 325 ? 15.733 -13.587 7.997 1.00 51.77 ? 325 ILE A O 1 ATOM 2581 C CB . ILE A 1 325 ? 14.770 -12.808 10.564 1.00 48.54 ? 325 ILE A CB 1 ATOM 2582 C CG1 . ILE A 1 325 ? 14.679 -12.582 12.096 1.00 45.79 ? 325 ILE A CG1 1 ATOM 2583 C CG2 . ILE A 1 325 ? 13.429 -12.600 9.871 1.00 49.30 ? 325 ILE A CG2 1 ATOM 2584 C CD1 . ILE A 1 325 ? 13.832 -11.397 12.547 1.00 45.69 ? 325 ILE A CD1 1 ATOM 2585 N N . PRO A 1 326 ? 15.829 -15.777 8.470 1.00 53.33 ? 326 PRO A N 1 ATOM 2586 C CA . PRO A 1 326 ? 15.991 -16.133 7.062 1.00 52.44 ? 326 PRO A CA 1 ATOM 2587 C C . PRO A 1 326 ? 14.741 -15.777 6.290 1.00 59.35 ? 326 PRO A C 1 ATOM 2588 O O . PRO A 1 326 ? 13.647 -15.798 6.867 1.00 67.37 ? 326 PRO A O 1 ATOM 2589 C CB . PRO A 1 326 ? 16.147 -17.653 7.108 1.00 55.81 ? 326 PRO A CB 1 ATOM 2590 C CG . PRO A 1 326 ? 15.422 -18.074 8.340 1.00 56.11 ? 326 PRO A CG 1 ATOM 2591 C CD . PRO A 1 326 ? 15.738 -16.968 9.333 1.00 53.36 ? 326 PRO A CD 1 ATOM 2592 N N . PRO A 1 327 ? 14.875 -15.437 5.000 1.00 59.80 ? 327 PRO A N 1 ATOM 2593 C CA . PRO A 1 327 ? 13.696 -15.168 4.167 1.00 55.65 ? 327 PRO A CA 1 ATOM 2594 C C . PRO A 1 327 ? 12.571 -16.185 4.362 1.00 52.13 ? 327 PRO A C 1 ATOM 2595 O O . PRO A 1 327 ? 12.819 -17.358 4.606 1.00 55.13 ? 327 PRO A O 1 ATOM 2596 C CB . PRO A 1 327 ? 14.247 -15.236 2.743 1.00 59.51 ? 327 PRO A CB 1 ATOM 2597 C CG . PRO A 1 327 ? 15.606 -15.876 2.865 1.00 60.48 ? 327 PRO A CG 1 ATOM 2598 C CD . PRO A 1 327 ? 16.107 -15.449 4.198 1.00 62.80 ? 327 PRO A CD 1 ATOM 2599 N N . TYR A 1 328 ? 11.347 -15.696 4.272 1.00 49.07 ? 328 TYR A N 1 ATOM 2600 C CA . TYR A 1 328 ? 10.139 -16.405 4.672 1.00 48.92 ? 328 TYR A CA 1 ATOM 2601 C C . TYR A 1 328 ? 9.904 -17.706 3.907 1.00 58.01 ? 328 TYR A C 1 ATOM 2602 O O . TYR A 1 328 ? 10.209 -17.813 2.714 1.00 54.63 ? 328 TYR A O 1 ATOM 2603 C CB . TYR A 1 328 ? 8.959 -15.479 4.432 1.00 45.69 ? 328 TYR A CB 1 ATOM 2604 C CG . TYR A 1 328 ? 7.600 -15.915 4.983 1.00 46.62 ? 328 TYR A CG 1 ATOM 2605 C CD1 . TYR A 1 328 ? 7.418 -16.268 6.318 1.00 42.97 ? 328 TYR A CD1 1 ATOM 2606 C CD2 . TYR A 1 328 ? 6.472 -15.886 4.165 1.00 46.88 ? 328 TYR A CD2 1 ATOM 2607 C CE1 . TYR A 1 328 ? 6.154 -16.630 6.803 1.00 41.48 ? 328 TYR A CE1 1 ATOM 2608 C CE2 . TYR A 1 328 ? 5.228 -16.267 4.629 1.00 45.01 ? 328 TYR A CE2 1 ATOM 2609 C CZ . TYR A 1 328 ? 5.069 -16.607 5.950 1.00 42.77 ? 328 TYR A CZ 1 ATOM 2610 O OH . TYR A 1 328 ? 3.810 -16.947 6.327 1.00 43.10 ? 328 TYR A OH 1 ATOM 2611 N N . GLN A 1 329 ? 9.362 -18.695 4.616 1.00 58.99 ? 329 GLN A N 1 ATOM 2612 C CA . GLN A 1 329 ? 9.153 -20.030 4.055 1.00 58.70 ? 329 GLN A CA 1 ATOM 2613 C C . GLN A 1 329 ? 7.789 -20.560 4.416 1.00 50.33 ? 329 GLN A C 1 ATOM 2614 O O . GLN A 1 329 ? 7.571 -21.757 4.400 1.00 58.26 ? 329 GLN A O 1 ATOM 2615 C CB . GLN A 1 329 ? 10.263 -20.978 4.538 1.00 59.69 ? 329 GLN A CB 1 ATOM 2616 C CG . GLN A 1 329 ? 11.586 -20.740 3.826 1.00 60.55 ? 329 GLN A CG 1 ATOM 2617 C CD . GLN A 1 329 ? 11.580 -21.324 2.418 1.00 64.99 ? 329 GLN A CD 1 ATOM 2618 O OE1 . GLN A 1 329 ? 11.139 -20.687 1.448 1.00 62.81 ? 329 GLN A OE1 1 ATOM 2619 N NE2 . GLN A 1 329 ? 12.050 -22.554 2.306 1.00 61.87 ? 329 GLN A NE2 1 ATOM 2620 N N . GLY A 1 330 ? 6.871 -19.646 4.726 1.00 48.51 ? 330 GLY A N 1 ATOM 2621 C CA . GLY A 1 330 ? 5.519 -19.981 5.114 1.00 45.67 ? 330 GLY A CA 1 ATOM 2622 C C . GLY A 1 330 ? 5.190 -20.188 6.588 1.00 43.81 ? 330 GLY A C 1 ATOM 2623 O O . GLY A 1 330 ? 6.033 -20.405 7.437 1.00 50.95 ? 330 GLY A O 1 ATOM 2624 N N . TYR A 1 331 ? 3.903 -20.144 6.830 1.00 41.65 ? 331 TYR A N 1 ATOM 2625 C CA . TYR A 1 331 ? 3.283 -20.348 8.083 1.00 45.53 ? 331 TYR A CA 1 ATOM 2626 C C . TYR A 1 331 ? 3.598 -21.691 8.669 1.00 53.87 ? 331 TYR A C 1 ATOM 2627 O O . TYR A 1 331 ? 3.396 -22.704 8.015 1.00 57.83 ? 331 TYR A O 1 ATOM 2628 C CB . TYR A 1 331 ? 1.775 -20.236 7.881 1.00 42.30 ? 331 TYR A CB 1 ATOM 2629 C CG . TYR A 1 331 ? 1.025 -20.518 9.142 1.00 47.95 ? 331 TYR A CG 1 ATOM 2630 C CD1 . TYR A 1 331 ? 1.336 -19.833 10.318 1.00 48.22 ? 331 TYR A CD1 1 ATOM 2631 C CD2 . TYR A 1 331 ? -0.004 -21.461 9.178 1.00 44.78 ? 331 TYR A CD2 1 ATOM 2632 C CE1 . TYR A 1 331 ? 0.651 -20.083 11.497 1.00 52.24 ? 331 TYR A CE1 1 ATOM 2633 C CE2 . TYR A 1 331 ? -0.691 -21.711 10.348 1.00 53.14 ? 331 TYR A CE2 1 ATOM 2634 C CZ . TYR A 1 331 ? -0.359 -21.013 11.501 1.00 46.53 ? 331 TYR A CZ 1 ATOM 2635 O OH . TYR A 1 331 ? -1.019 -21.262 12.622 1.00 42.09 ? 331 TYR A OH 1 ATOM 2636 N N . ASN A 1 332 ? 4.086 -21.699 9.908 1.00 52.63 ? 332 ASN A N 1 ATOM 2637 C CA . ASN A 1 332 ? 4.360 -22.919 10.617 1.00 46.89 ? 332 ASN A CA 1 ATOM 2638 C C . ASN A 1 332 ? 3.637 -22.954 11.980 1.00 50.82 ? 332 ASN A C 1 ATOM 2639 O O . ASN A 1 332 ? 4.014 -22.288 12.966 1.00 40.49 ? 332 ASN A O 1 ATOM 2640 C CB . ASN A 1 332 ? 5.871 -23.115 10.712 1.00 49.13 ? 332 ASN A CB 1 ATOM 2641 C CG . ASN A 1 332 ? 6.265 -24.365 11.453 1.00 49.11 ? 332 ASN A CG 1 ATOM 2642 O OD1 . ASN A 1 332 ? 5.450 -24.969 12.151 1.00 57.76 ? 332 ASN A OD1 1 ATOM 2643 N ND2 . ASN A 1 332 ? 7.545 -24.751 11.326 1.00 53.57 ? 332 ASN A ND2 1 ATOM 2644 N N . ASN A 1 333 ? 2.675 -23.816 12.015 1.00 49.56 ? 333 ASN A N 1 ATOM 2645 C CA . ASN A 1 333 ? 1.914 -23.908 13.244 1.00 49.31 ? 333 ASN A CA 1 ATOM 2646 C C . ASN A 1 333 ? 2.625 -24.629 14.386 1.00 48.69 ? 333 ASN A C 1 ATOM 2647 O O . ASN A 1 333 ? 2.054 -24.705 15.471 1.00 46.12 ? 333 ASN A O 1 ATOM 2648 C CB . ASN A 1 333 ? 0.522 -24.509 12.989 1.00 55.68 ? 333 ASN A CB 1 ATOM 2649 C CG . ASN A 1 333 ? 0.553 -25.947 12.492 1.00 56.49 ? 333 ASN A CG 1 ATOM 2650 O OD1 . ASN A 1 333 ? 1.427 -26.711 12.885 1.00 72.37 ? 333 ASN A OD1 1 ATOM 2651 N ND2 . ASN A 1 333 ? -0.367 -26.319 11.620 1.00 52.33 ? 333 ASN A ND2 1 ATOM 2652 N N . SER A 1 334 ? 3.778 -25.180 14.162 1.00 44.78 ? 334 SER A N 1 ATOM 2653 C CA . SER A 1 334 ? 4.442 -25.723 15.294 1.00 54.56 ? 334 SER A CA 1 ATOM 2654 C C . SER A 1 334 ? 5.207 -24.638 16.004 1.00 52.04 ? 334 SER A C 1 ATOM 2655 O O . SER A 1 334 ? 5.722 -24.873 17.071 1.00 47.66 ? 334 SER A O 1 ATOM 2656 C CB . SER A 1 334 ? 5.326 -26.870 14.896 1.00 54.05 ? 334 SER A CB 1 ATOM 2657 O OG . SER A 1 334 ? 4.511 -27.916 14.457 1.00 62.01 ? 334 SER A OG 1 ATOM 2658 N N . VAL A 1 335 ? 5.266 -23.448 15.419 1.00 46.83 ? 335 VAL A N 1 ATOM 2659 C CA . VAL A 1 335 ? 6.067 -22.356 16.011 1.00 43.01 ? 335 VAL A CA 1 ATOM 2660 C C . VAL A 1 335 ? 5.251 -21.741 17.147 1.00 41.57 ? 335 VAL A C 1 ATOM 2661 O O . VAL A 1 335 ? 4.063 -21.508 16.975 1.00 45.28 ? 335 VAL A O 1 ATOM 2662 C CB . VAL A 1 335 ? 6.380 -21.239 14.985 1.00 42.00 ? 335 VAL A CB 1 ATOM 2663 C CG1 . VAL A 1 335 ? 6.872 -19.948 15.704 1.00 40.36 ? 335 VAL A CG1 1 ATOM 2664 C CG2 . VAL A 1 335 ? 7.393 -21.706 13.968 1.00 40.37 ? 335 VAL A CG2 1 ATOM 2665 N N . ASP A 1 336 ? 5.880 -21.411 18.267 1.00 43.82 ? 336 ASP A N 1 ATOM 2666 C CA . ASP A 1 336 ? 5.198 -20.631 19.332 1.00 38.83 ? 336 ASP A CA 1 ATOM 2667 C C . ASP A 1 336 ? 5.220 -19.128 18.974 1.00 39.01 ? 336 ASP A C 1 ATOM 2668 O O . ASP A 1 336 ? 6.276 -18.538 18.931 1.00 41.57 ? 336 ASP A O 1 ATOM 2669 C CB . ASP A 1 336 ? 5.943 -20.811 20.657 1.00 42.37 ? 336 ASP A CB 1 ATOM 2670 C CG . ASP A 1 336 ? 5.214 -20.187 21.837 1.00 39.78 ? 336 ASP A CG 1 ATOM 2671 O OD1 . ASP A 1 336 ? 4.199 -19.500 21.656 1.00 39.25 ? 336 ASP A OD1 1 ATOM 2672 O OD2 . ASP A 1 336 ? 5.652 -20.413 22.966 1.00 48.78 ? 336 ASP A OD2 1 ATOM 2673 N N . PRO A 1 337 ? 4.061 -18.502 18.723 1.00 37.69 ? 337 PRO A N 1 ATOM 2674 C CA . PRO A 1 337 ? 4.083 -17.066 18.425 1.00 37.78 ? 337 PRO A CA 1 ATOM 2675 C C . PRO A 1 337 ? 4.114 -16.166 19.670 1.00 40.02 ? 337 PRO A C 1 ATOM 2676 O O . PRO A 1 337 ? 4.012 -14.946 19.510 1.00 41.16 ? 337 PRO A O 1 ATOM 2677 C CB . PRO A 1 337 ? 2.755 -16.862 17.721 1.00 33.27 ? 337 PRO A CB 1 ATOM 2678 C CG . PRO A 1 337 ? 1.861 -17.873 18.352 1.00 36.56 ? 337 PRO A CG 1 ATOM 2679 C CD . PRO A 1 337 ? 2.686 -18.981 18.896 1.00 35.69 ? 337 PRO A CD 1 ATOM 2680 N N . ARG A 1 338 ? 4.177 -16.736 20.884 1.00 33.97 ? 338 ARG A N 1 ATOM 2681 C CA . ARG A 1 338 ? 4.055 -15.890 22.129 1.00 35.36 ? 338 ARG A CA 1 ATOM 2682 C C . ARG A 1 338 ? 5.271 -14.966 22.373 1.00 33.67 ? 338 ARG A C 1 ATOM 2683 O O . ARG A 1 338 ? 6.424 -15.349 22.191 1.00 33.55 ? 338 ARG A O 1 ATOM 2684 C CB . ARG A 1 338 ? 3.849 -16.733 23.403 1.00 33.40 ? 338 ARG A CB 1 ATOM 2685 C CG . ARG A 1 338 ? 2.452 -17.327 23.519 1.00 36.03 ? 338 ARG A CG 1 ATOM 2686 C CD . ARG A 1 338 ? 2.363 -18.297 24.704 1.00 33.13 ? 338 ARG A CD 1 ATOM 2687 N NE . ARG A 1 338 ? 3.422 -19.266 24.568 1.00 36.92 ? 338 ARG A NE 1 ATOM 2688 C CZ . ARG A 1 338 ? 3.852 -20.024 25.566 1.00 41.64 ? 338 ARG A CZ 1 ATOM 2689 N NH1 . ARG A 1 338 ? 3.320 -19.908 26.792 1.00 47.75 ? 338 ARG A NH1 1 ATOM 2690 N NH2 . ARG A 1 338 ? 4.823 -20.880 25.364 1.00 39.60 ? 338 ARG A NH2 1 ATOM 2691 N N . ILE A 1 339 ? 4.999 -13.760 22.848 1.00 36.03 ? 339 ILE A N 1 ATOM 2692 C CA . ILE A 1 339 ? 6.069 -12.906 23.286 1.00 32.97 ? 339 ILE A CA 1 ATOM 2693 C C . ILE A 1 339 ? 6.670 -13.492 24.562 1.00 29.96 ? 339 ILE A C 1 ATOM 2694 O O . ILE A 1 339 ? 5.948 -13.780 25.549 1.00 27.07 ? 339 ILE A O 1 ATOM 2695 C CB . ILE A 1 339 ? 5.591 -11.459 23.521 1.00 31.82 ? 339 ILE A CB 1 ATOM 2696 C CG1 . ILE A 1 339 ? 5.168 -10.816 22.217 1.00 32.34 ? 339 ILE A CG1 1 ATOM 2697 C CG2 . ILE A 1 339 ? 6.717 -10.594 24.115 1.00 35.74 ? 339 ILE A CG2 1 ATOM 2698 C CD1 . ILE A 1 339 ? 6.132 -10.977 21.058 1.00 37.02 ? 339 ILE A CD1 1 ATOM 2699 N N . SER A 1 340 ? 7.992 -13.632 24.560 1.00 30.36 ? 340 SER A N 1 ATOM 2700 C CA . SER A 1 340 ? 8.697 -14.129 25.744 1.00 32.79 ? 340 SER A CA 1 ATOM 2701 C C . SER A 1 340 ? 8.950 -13.022 26.758 1.00 33.77 ? 340 SER A C 1 ATOM 2702 O O . SER A 1 340 ? 9.024 -11.837 26.405 1.00 35.67 ? 340 SER A O 1 ATOM 2703 C CB . SER A 1 340 ? 10.021 -14.767 25.407 1.00 30.43 ? 340 SER A CB 1 ATOM 2704 O OG . SER A 1 340 ? 10.983 -13.815 24.990 1.00 31.95 ? 340 SER A OG 1 ATOM 2705 N N . ASN A 1 341 ? 9.130 -13.420 28.004 1.00 33.10 ? 341 ASN A N 1 ATOM 2706 C CA . ASN A 1 341 ? 9.255 -12.437 29.072 1.00 30.58 ? 341 ASN A CA 1 ATOM 2707 C C . ASN A 1 341 ? 10.571 -11.745 28.823 1.00 31.10 ? 341 ASN A C 1 ATOM 2708 O O . ASN A 1 341 ? 10.625 -10.500 28.857 1.00 31.50 ? 341 ASN A O 1 ATOM 2709 C CB . ASN A 1 341 ? 9.223 -13.085 30.445 1.00 27.95 ? 341 ASN A CB 1 ATOM 2710 C CG . ASN A 1 341 ? 8.771 -12.140 31.545 1.00 29.00 ? 341 ASN A CG 1 ATOM 2711 O OD1 . ASN A 1 341 ? 9.261 -10.995 31.689 1.00 30.28 ? 341 ASN A OD1 1 ATOM 2712 N ND2 . ASN A 1 341 ? 7.811 -12.602 32.332 1.00 27.85 ? 341 ASN A ND2 1 ATOM 2713 N N . VAL A 1 342 ? 11.619 -12.495 28.489 1.00 28.37 ? 342 VAL A N 1 ATOM 2714 C CA . VAL A 1 342 ? 12.894 -11.802 28.243 1.00 27.66 ? 342 VAL A CA 1 ATOM 2715 C C . VAL A 1 342 ? 12.877 -10.769 27.069 1.00 30.69 ? 342 VAL A C 1 ATOM 2716 O O . VAL A 1 342 ? 13.533 -9.726 27.137 1.00 31.17 ? 342 VAL A O 1 ATOM 2717 C CB . VAL A 1 342 ? 14.034 -12.758 28.020 1.00 28.99 ? 342 VAL A CB 1 ATOM 2718 C CG1 . VAL A 1 342 ? 13.927 -13.449 26.653 1.00 26.18 ? 342 VAL A CG1 1 ATOM 2719 C CG2 . VAL A 1 342 ? 15.371 -12.022 28.146 1.00 28.36 ? 342 VAL A CG2 1 ATOM 2720 N N . PHE A 1 343 ? 12.190 -11.082 25.977 1.00 31.62 ? 343 PHE A N 1 ATOM 2721 C CA . PHE A 1 343 ? 12.036 -10.098 24.895 1.00 33.38 ? 343 PHE A CA 1 ATOM 2722 C C . PHE A 1 343 ? 11.531 -8.739 25.381 1.00 33.99 ? 343 PHE A C 1 ATOM 2723 O O . PHE A 1 343 ? 11.913 -7.710 24.833 1.00 30.33 ? 343 PHE A O 1 ATOM 2724 C CB . PHE A 1 343 ? 11.033 -10.604 23.887 1.00 31.31 ? 343 PHE A CB 1 ATOM 2725 C CG . PHE A 1 343 ? 10.859 -9.724 22.690 1.00 30.35 ? 343 PHE A CG 1 ATOM 2726 C CD1 . PHE A 1 343 ? 11.754 -9.766 21.638 1.00 29.33 ? 343 PHE A CD1 1 ATOM 2727 C CD2 . PHE A 1 343 ? 9.787 -8.887 22.594 1.00 32.16 ? 343 PHE A CD2 1 ATOM 2728 C CE1 . PHE A 1 343 ? 11.551 -8.974 20.516 1.00 30.61 ? 343 PHE A CE1 1 ATOM 2729 C CE2 . PHE A 1 343 ? 9.568 -8.099 21.454 1.00 27.18 ? 343 PHE A CE2 1 ATOM 2730 C CZ . PHE A 1 343 ? 10.454 -8.162 20.431 1.00 29.72 ? 343 PHE A CZ 1 ATOM 2731 N N . THR A 1 344 ? 10.638 -8.725 26.376 1.00 36.34 ? 344 THR A N 1 ATOM 2732 C CA . THR A 1 344 ? 10.138 -7.459 26.831 1.00 32.95 ? 344 THR A CA 1 ATOM 2733 C C . THR A 1 344 ? 11.207 -6.636 27.522 1.00 33.19 ? 344 THR A C 1 ATOM 2734 O O . THR A 1 344 ? 11.012 -5.413 27.728 1.00 34.21 ? 344 THR A O 1 ATOM 2735 C CB . THR A 1 344 ? 8.968 -7.519 27.817 1.00 34.54 ? 344 THR A CB 1 ATOM 2736 O OG1 . THR A 1 344 ? 9.437 -7.947 29.085 1.00 33.43 ? 344 THR A OG1 1 ATOM 2737 C CG2 . THR A 1 344 ? 7.849 -8.332 27.345 1.00 33.35 ? 344 THR A CG2 1 ATOM 2738 N N . PHE A 1 345 ? 12.319 -7.263 27.898 1.00 31.01 ? 345 PHE A N 1 ATOM 2739 C CA . PHE A 1 345 ? 13.465 -6.466 28.362 1.00 31.56 ? 345 PHE A CA 1 ATOM 2740 C C . PHE A 1 345 ? 14.460 -6.207 27.253 1.00 30.14 ? 345 PHE A C 1 ATOM 2741 O O . PHE A 1 345 ? 15.095 -5.140 27.207 1.00 27.14 ? 345 PHE A O 1 ATOM 2742 C CB . PHE A 1 345 ? 14.115 -7.113 29.572 1.00 29.01 ? 345 PHE A CB 1 ATOM 2743 C CG . PHE A 1 345 ? 13.178 -7.205 30.733 1.00 31.50 ? 345 PHE A CG 1 ATOM 2744 C CD1 . PHE A 1 345 ? 12.445 -8.360 30.973 1.00 28.80 ? 345 PHE A CD1 1 ATOM 2745 C CD2 . PHE A 1 345 ? 12.927 -6.093 31.514 1.00 31.42 ? 345 PHE A CD2 1 ATOM 2746 C CE1 . PHE A 1 345 ? 11.534 -8.426 32.042 1.00 29.96 ? 345 PHE A CE1 1 ATOM 2747 C CE2 . PHE A 1 345 ? 12.007 -6.153 32.556 1.00 31.62 ? 345 PHE A CE2 1 ATOM 2748 C CZ . PHE A 1 345 ? 11.346 -7.329 32.842 1.00 28.86 ? 345 PHE A CZ 1 ATOM 2749 N N . ALA A 1 346 ? 14.552 -7.137 26.321 1.00 27.56 ? 346 ALA A N 1 ATOM 2750 C CA . ALA A 1 346 ? 15.571 -7.034 25.298 1.00 25.77 ? 346 ALA A CA 1 ATOM 2751 C C . ALA A 1 346 ? 15.183 -5.875 24.391 1.00 27.26 ? 346 ALA A C 1 ATOM 2752 O O . ALA A 1 346 ? 16.037 -5.158 23.872 1.00 24.49 ? 346 ALA A O 1 ATOM 2753 C CB . ALA A 1 346 ? 15.614 -8.305 24.509 1.00 26.23 ? 346 ALA A CB 1 ATOM 2754 N N . PHE A 1 347 ? 13.876 -5.696 24.199 1.00 28.54 ? 347 PHE A N 1 ATOM 2755 C CA . PHE A 1 347 ? 13.399 -4.699 23.279 1.00 29.58 ? 347 PHE A CA 1 ATOM 2756 C C . PHE A 1 347 ? 13.632 -3.348 23.877 1.00 29.19 ? 347 PHE A C 1 ATOM 2757 O O . PHE A 1 347 ? 13.639 -2.321 23.155 1.00 30.24 ? 347 PHE A O 1 ATOM 2758 C CB . PHE A 1 347 ? 11.920 -4.879 22.897 1.00 31.43 ? 347 PHE A CB 1 ATOM 2759 C CG . PHE A 1 347 ? 11.588 -4.373 21.508 1.00 28.46 ? 347 PHE A CG 1 ATOM 2760 C CD1 . PHE A 1 347 ? 12.492 -3.623 20.777 1.00 31.39 ? 347 PHE A CD1 1 ATOM 2761 C CD2 . PHE A 1 347 ? 10.359 -4.633 20.948 1.00 29.86 ? 347 PHE A CD2 1 ATOM 2762 C CE1 . PHE A 1 347 ? 12.182 -3.168 19.493 1.00 33.41 ? 347 PHE A CE1 1 ATOM 2763 C CE2 . PHE A 1 347 ? 10.039 -4.180 19.686 1.00 30.67 ? 347 PHE A CE2 1 ATOM 2764 C CZ . PHE A 1 347 ? 10.965 -3.461 18.953 1.00 28.24 ? 347 PHE A CZ 1 ATOM 2765 N N . ARG A 1 348 ? 13.867 -3.299 25.184 1.00 29.82 ? 348 ARG A N 1 ATOM 2766 C CA . ARG A 1 348 ? 14.184 -2.002 25.808 1.00 28.75 ? 348 ARG A CA 1 ATOM 2767 C C . ARG A 1 348 ? 15.598 -1.453 25.463 1.00 32.20 ? 348 ARG A C 1 ATOM 2768 O O . ARG A 1 348 ? 16.109 -0.493 26.068 1.00 30.47 ? 348 ARG A O 1 ATOM 2769 C CB . ARG A 1 348 ? 13.980 -2.031 27.308 1.00 30.25 ? 348 ARG A CB 1 ATOM 2770 C CG . ARG A 1 348 ? 12.572 -2.276 27.730 1.00 28.53 ? 348 ARG A CG 1 ATOM 2771 C CD . ARG A 1 348 ? 12.555 -2.622 29.209 1.00 27.83 ? 348 ARG A CD 1 ATOM 2772 N NE . ARG A 1 348 ? 11.328 -3.304 29.594 1.00 27.15 ? 348 ARG A NE 1 ATOM 2773 C CZ . ARG A 1 348 ? 10.634 -3.059 30.715 1.00 33.26 ? 348 ARG A CZ 1 ATOM 2774 N NH1 . ARG A 1 348 ? 10.965 -2.101 31.574 1.00 38.94 ? 348 ARG A NH1 1 ATOM 2775 N NH2 . ARG A 1 348 ? 9.571 -3.758 30.973 1.00 27.61 ? 348 ARG A NH2 1 ATOM 2776 N N . PHE A 1 349 ? 16.207 -1.995 24.424 1.00 29.36 ? 349 PHE A N 1 ATOM 2777 C CA . PHE A 1 349 ? 17.388 -1.321 23.903 1.00 31.03 ? 349 PHE A CA 1 ATOM 2778 C C . PHE A 1 349 ? 17.066 0.079 23.380 1.00 29.30 ? 349 PHE A C 1 ATOM 2779 O O . PHE A 1 349 ? 17.935 0.946 23.315 1.00 30.53 ? 349 PHE A O 1 ATOM 2780 C CB . PHE A 1 349 ? 18.024 -2.149 22.826 1.00 26.90 ? 349 PHE A CB 1 ATOM 2781 C CG . PHE A 1 349 ? 17.261 -2.160 21.571 1.00 28.92 ? 349 PHE A CG 1 ATOM 2782 C CD1 . PHE A 1 349 ? 17.407 -1.142 20.683 1.00 27.39 ? 349 PHE A CD1 1 ATOM 2783 C CD2 . PHE A 1 349 ? 16.385 -3.212 21.276 1.00 29.65 ? 349 PHE A CD2 1 ATOM 2784 C CE1 . PHE A 1 349 ? 16.715 -1.169 19.519 1.00 28.80 ? 349 PHE A CE1 1 ATOM 2785 C CE2 . PHE A 1 349 ? 15.747 -3.249 20.093 1.00 32.47 ? 349 PHE A CE2 1 ATOM 2786 C CZ . PHE A 1 349 ? 15.897 -2.211 19.218 1.00 29.72 ? 349 PHE A CZ 1 ATOM 2787 N N . GLY A 1 350 ? 15.804 0.276 23.053 1.00 28.00 ? 350 GLY A N 1 ATOM 2788 C CA . GLY A 1 350 ? 15.307 1.520 22.531 1.00 29.80 ? 350 GLY A CA 1 ATOM 2789 C C . GLY A 1 350 ? 15.515 2.697 23.441 1.00 33.12 ? 350 GLY A C 1 ATOM 2790 O O . GLY A 1 350 ? 15.692 3.817 22.969 1.00 31.12 ? 350 GLY A O 1 ATOM 2791 N N . HIS A 1 351 ? 15.494 2.435 24.739 1.00 29.59 ? 351 HIS A N 1 ATOM 2792 C CA . HIS A 1 351 ? 15.679 3.459 25.717 1.00 31.09 ? 351 HIS A CA 1 ATOM 2793 C C . HIS A 1 351 ? 17.061 4.125 25.584 1.00 29.26 ? 351 HIS A C 1 ATOM 2794 O O . HIS A 1 351 ? 17.183 5.241 25.935 1.00 30.51 ? 351 HIS A O 1 ATOM 2795 C CB . HIS A 1 351 ? 15.370 2.904 27.136 1.00 27.94 ? 351 HIS A CB 1 ATOM 2796 C CG . HIS A 1 351 ? 13.918 2.478 27.321 1.00 26.12 ? 351 HIS A CG 1 ATOM 2797 N ND1 . HIS A 1 351 ? 13.498 1.670 28.360 1.00 24.29 ? 351 HIS A ND1 1 ATOM 2798 C CD2 . HIS A 1 351 ? 12.813 2.746 26.588 1.00 27.11 ? 351 HIS A CD2 1 ATOM 2799 C CE1 . HIS A 1 351 ? 12.185 1.469 28.252 1.00 29.68 ? 351 HIS A CE1 1 ATOM 2800 N NE2 . HIS A 1 351 ? 11.731 2.113 27.178 1.00 26.32 ? 351 HIS A NE2 1 ATOM 2801 N N . MET A 1 352 ? 18.092 3.471 25.049 1.00 32.10 ? 352 MET A N 1 ATOM 2802 C CA . MET A 1 352 ? 19.370 4.138 24.875 1.00 31.07 ? 352 MET A CA 1 ATOM 2803 C C . MET A 1 352 ? 19.478 4.959 23.567 1.00 30.88 ? 352 MET A C 1 ATOM 2804 O O . MET A 1 352 ? 20.518 5.598 23.303 1.00 32.27 ? 352 MET A O 1 ATOM 2805 C CB . MET A 1 352 ? 20.507 3.152 25.032 1.00 32.92 ? 352 MET A CB 1 ATOM 2806 C CG . MET A 1 352 ? 20.411 2.424 26.395 1.00 36.68 ? 352 MET A CG 1 ATOM 2807 S SD . MET A 1 352 ? 21.800 1.429 26.900 1.00 43.49 ? 352 MET A SD 1 ATOM 2808 C CE . MET A 1 352 ? 21.178 0.672 28.412 1.00 35.10 ? 352 MET A CE 1 ATOM 2809 N N . GLU A 1 353 ? 18.406 4.908 22.778 1.00 25.72 ? 353 GLU A N 1 ATOM 2810 C CA . GLU A 1 353 ? 18.283 5.560 21.491 1.00 28.17 ? 353 GLU A CA 1 ATOM 2811 C C . GLU A 1 353 ? 17.443 6.840 21.554 1.00 29.01 ? 353 GLU A C 1 ATOM 2812 O O . GLU A 1 353 ? 17.269 7.515 20.545 1.00 30.98 ? 353 GLU A O 1 ATOM 2813 C CB . GLU A 1 353 ? 17.591 4.602 20.468 1.00 23.52 ? 353 GLU A CB 1 ATOM 2814 C CG . GLU A 1 353 ? 18.475 3.431 20.033 1.00 24.20 ? 353 GLU A CG 1 ATOM 2815 C CD . GLU A 1 353 ? 17.750 2.521 19.056 1.00 24.70 ? 353 GLU A CD 1 ATOM 2816 O OE1 . GLU A 1 353 ? 16.498 2.750 18.748 1.00 23.35 ? 353 GLU A OE1 1 ATOM 2817 O OE2 . GLU A 1 353 ? 18.395 1.522 18.689 1.00 26.29 ? 353 GLU A OE2 1 ATOM 2818 N N . VAL A 1 354 ? 16.907 7.157 22.731 1.00 31.09 ? 354 VAL A N 1 ATOM 2819 C CA . VAL A 1 354 ? 16.151 8.354 22.929 1.00 30.87 ? 354 VAL A CA 1 ATOM 2820 C C . VAL A 1 354 ? 17.071 9.523 23.289 1.00 32.75 ? 354 VAL A C 1 ATOM 2821 O O . VAL A 1 354 ? 17.765 9.507 24.320 1.00 35.60 ? 354 VAL A O 1 ATOM 2822 C CB . VAL A 1 354 ? 15.038 8.155 23.985 1.00 30.21 ? 354 VAL A CB 1 ATOM 2823 C CG1 . VAL A 1 354 ? 14.156 9.393 24.029 1.00 32.10 ? 354 VAL A CG1 1 ATOM 2824 C CG2 . VAL A 1 354 ? 14.177 6.952 23.626 1.00 27.66 ? 354 VAL A CG2 1 ATOM 2825 N N . PRO A 1 355 ? 17.076 10.569 22.447 1.00 35.39 ? 355 PRO A N 1 ATOM 2826 C CA . PRO A 1 355 ? 17.888 11.744 22.702 1.00 35.56 ? 355 PRO A CA 1 ATOM 2827 C C . PRO A 1 355 ? 17.154 12.722 23.629 1.00 34.11 ? 355 PRO A C 1 ATOM 2828 O O . PRO A 1 355 ? 15.966 12.499 23.969 1.00 29.47 ? 355 PRO A O 1 ATOM 2829 C CB . PRO A 1 355 ? 18.035 12.343 21.307 1.00 34.56 ? 355 PRO A CB 1 ATOM 2830 C CG . PRO A 1 355 ? 16.698 12.130 20.735 1.00 37.56 ? 355 PRO A CG 1 ATOM 2831 C CD . PRO A 1 355 ? 16.095 10.885 21.396 1.00 35.23 ? 355 PRO A CD 1 ATOM 2832 N N . SER A 1 356 ? 17.835 13.808 24.024 1.00 33.60 ? 356 SER A N 1 ATOM 2833 C CA . SER A 1 356 ? 17.329 14.695 25.104 1.00 33.22 ? 356 SER A CA 1 ATOM 2834 C C . SER A 1 356 ? 16.290 15.759 24.701 1.00 35.28 ? 356 SER A C 1 ATOM 2835 O O . SER A 1 356 ? 15.669 16.391 25.567 1.00 32.58 ? 356 SER A O 1 ATOM 2836 C CB . SER A 1 356 ? 18.495 15.418 25.752 1.00 34.19 ? 356 SER A CB 1 ATOM 2837 O OG . SER A 1 356 ? 19.129 16.214 24.770 1.00 32.68 ? 356 SER A OG 1 ATOM 2838 N N . THR A 1 357 ? 16.078 15.936 23.402 1.00 34.47 ? 357 THR A N 1 ATOM 2839 C CA . THR A 1 357 ? 15.176 16.983 22.919 1.00 37.38 ? 357 THR A CA 1 ATOM 2840 C C . THR A 1 357 ? 14.465 16.560 21.655 1.00 40.05 ? 357 THR A C 1 ATOM 2841 O O . THR A 1 357 ? 14.891 15.668 20.944 1.00 42.43 ? 357 THR A O 1 ATOM 2842 C CB . THR A 1 357 ? 15.898 18.274 22.517 1.00 34.45 ? 357 THR A CB 1 ATOM 2843 O OG1 . THR A 1 357 ? 16.629 18.034 21.307 1.00 37.18 ? 357 THR A OG1 1 ATOM 2844 C CG2 . THR A 1 357 ? 16.868 18.729 23.619 1.00 37.83 ? 357 THR A CG2 1 ATOM 2845 N N . VAL A 1 358 ? 13.354 17.233 21.425 1.00 39.38 ? 358 VAL A N 1 ATOM 2846 C CA . VAL A 1 358 ? 12.487 17.036 20.316 1.00 36.48 ? 358 VAL A CA 1 ATOM 2847 C C . VAL A 1 358 ? 12.270 18.417 19.705 1.00 38.85 ? 358 VAL A C 1 ATOM 2848 O O . VAL A 1 358 ? 12.009 19.413 20.443 1.00 41.46 ? 358 VAL A O 1 ATOM 2849 C CB . VAL A 1 358 ? 11.161 16.490 20.827 1.00 34.39 ? 358 VAL A CB 1 ATOM 2850 C CG1 . VAL A 1 358 ? 10.097 16.483 19.733 1.00 35.05 ? 358 VAL A CG1 1 ATOM 2851 C CG2 . VAL A 1 358 ? 11.407 15.097 21.422 1.00 39.11 ? 358 VAL A CG2 1 ATOM 2852 N N . SER A 1 359 ? 12.362 18.438 18.385 1.00 34.98 ? 359 SER A N 1 ATOM 2853 C CA . SER A 1 359 ? 12.205 19.630 17.551 1.00 41.22 ? 359 SER A CA 1 ATOM 2854 C C . SER A 1 359 ? 10.914 19.621 16.722 1.00 40.53 ? 359 SER A C 1 ATOM 2855 O O . SER A 1 359 ? 10.431 18.569 16.235 1.00 37.37 ? 359 SER A O 1 ATOM 2856 C CB . SER A 1 359 ? 13.388 19.820 16.570 1.00 38.89 ? 359 SER A CB 1 ATOM 2857 O OG . SER A 1 359 ? 14.512 20.368 17.235 1.00 44.90 ? 359 SER A OG 1 ATOM 2858 N N . ARG A 1 360 ? 10.378 20.829 16.577 1.00 38.18 ? 360 ARG A N 1 ATOM 2859 C CA . ARG A 1 360 ? 9.307 21.128 15.631 1.00 43.22 ? 360 ARG A CA 1 ATOM 2860 C C . ARG A 1 360 ? 9.981 21.914 14.508 1.00 41.74 ? 360 ARG A C 1 ATOM 2861 O O . ARG A 1 360 ? 10.745 22.857 14.789 1.00 40.35 ? 360 ARG A O 1 ATOM 2862 C CB . ARG A 1 360 ? 8.239 21.985 16.278 1.00 44.06 ? 360 ARG A CB 1 ATOM 2863 C CG . ARG A 1 360 ? 7.356 21.318 17.304 1.00 43.57 ? 360 ARG A CG 1 ATOM 2864 C CD . ARG A 1 360 ? 7.981 21.302 18.664 1.00 43.09 ? 360 ARG A CD 1 ATOM 2865 N NE . ARG A 1 360 ? 8.140 22.661 19.120 1.00 48.18 ? 360 ARG A NE 1 ATOM 2866 C CZ . ARG A 1 360 ? 7.190 23.376 19.695 1.00 46.51 ? 360 ARG A CZ 1 ATOM 2867 N NH1 . ARG A 1 360 ? 6.005 22.849 19.941 1.00 48.41 ? 360 ARG A NH1 1 ATOM 2868 N NH2 . ARG A 1 360 ? 7.455 24.619 20.057 1.00 50.41 ? 360 ARG A NH2 1 ATOM 2869 N N . LEU A 1 361 ? 9.748 21.480 13.276 1.00 44.51 ? 361 LEU A N 1 ATOM 2870 C CA . LEU A 1 361 ? 10.356 22.059 12.076 1.00 47.33 ? 361 LEU A CA 1 ATOM 2871 C C . LEU A 1 361 ? 9.263 22.473 11.096 1.00 53.80 ? 361 LEU A C 1 ATOM 2872 O O . LEU A 1 361 ? 8.303 21.718 10.881 1.00 55.39 ? 361 LEU A O 1 ATOM 2873 C CB . LEU A 1 361 ? 11.242 21.040 11.350 1.00 47.69 ? 361 LEU A CB 1 ATOM 2874 C CG . LEU A 1 361 ? 12.444 20.421 12.070 1.00 50.22 ? 361 LEU A CG 1 ATOM 2875 C CD1 . LEU A 1 361 ? 13.267 19.599 11.099 1.00 48.13 ? 361 LEU A CD1 1 ATOM 2876 C CD2 . LEU A 1 361 ? 13.295 21.531 12.663 1.00 52.00 ? 361 LEU A CD2 1 ATOM 2877 N N . ASP A 1 362 ? 9.428 23.661 10.503 1.00 56.43 ? 362 ASP A N 1 ATOM 2878 C CA . ASP A 1 362 ? 8.518 24.181 9.484 1.00 60.97 ? 362 ASP A CA 1 ATOM 2879 C C . ASP A 1 362 ? 8.867 23.589 8.128 1.00 58.23 ? 362 ASP A C 1 ATOM 2880 O O . ASP A 1 362 ? 9.747 22.739 8.003 1.00 49.89 ? 362 ASP A O 1 ATOM 2881 C CB . ASP A 1 362 ? 8.595 25.721 9.419 1.00 63.98 ? 362 ASP A CB 1 ATOM 2882 C CG . ASP A 1 362 ? 9.887 26.224 8.748 1.00 64.16 ? 362 ASP A CG 1 ATOM 2883 O OD1 . ASP A 1 362 ? 10.320 25.630 7.754 1.00 55.44 ? 362 ASP A OD1 1 ATOM 2884 O OD2 . ASP A 1 362 ? 10.479 27.217 9.219 1.00 74.20 ? 362 ASP A OD2 1 ATOM 2885 N N . GLU A 1 363 ? 8.246 24.141 7.092 1.00 63.09 ? 363 GLU A N 1 ATOM 2886 C CA . GLU A 1 363 ? 8.192 23.513 5.769 1.00 56.82 ? 363 GLU A CA 1 ATOM 2887 C C . GLU A 1 363 ? 9.489 23.650 4.954 1.00 52.97 ? 363 GLU A C 1 ATOM 2888 O O . GLU A 1 363 ? 9.682 22.978 3.966 1.00 51.34 ? 363 GLU A O 1 ATOM 2889 C CB . GLU A 1 363 ? 6.965 24.054 5.020 1.00 69.79 ? 363 GLU A CB 1 ATOM 2890 C CG . GLU A 1 363 ? 5.810 24.359 5.991 1.00 70.27 ? 363 GLU A CG 1 ATOM 2891 C CD . GLU A 1 363 ? 4.512 24.702 5.317 1.00 78.43 ? 363 GLU A CD 1 ATOM 2892 O OE1 . GLU A 1 363 ? 4.333 24.315 4.134 1.00 87.90 ? 363 GLU A OE1 1 ATOM 2893 O OE2 . GLU A 1 363 ? 3.674 25.359 5.985 1.00 71.71 ? 363 GLU A OE2 1 ATOM 2894 N N . ASN A 1 364 ? 10.398 24.489 5.416 1.00 50.24 ? 364 ASN A N 1 ATOM 2895 C CA . ASN A 1 364 ? 11.768 24.498 4.930 1.00 51.52 ? 364 ASN A CA 1 ATOM 2896 C C . ASN A 1 364 ? 12.650 23.688 5.905 1.00 50.78 ? 364 ASN A C 1 ATOM 2897 O O . ASN A 1 364 ? 13.873 23.577 5.718 1.00 44.25 ? 364 ASN A O 1 ATOM 2898 C CB . ASN A 1 364 ? 12.263 25.947 4.767 1.00 54.96 ? 364 ASN A CB 1 ATOM 2899 C CG . ASN A 1 364 ? 11.467 26.745 3.702 1.00 60.49 ? 364 ASN A CG 1 ATOM 2900 O OD1 . ASN A 1 364 ? 11.903 27.796 3.254 1.00 61.51 ? 364 ASN A OD1 1 ATOM 2901 N ND2 . ASN A 1 364 ? 10.301 26.246 3.311 1.00 61.28 ? 364 ASN A ND2 1 ATOM 2902 N N . TYR A 1 365 ? 12.013 23.068 6.909 1.00 46.94 ? 365 TYR A N 1 ATOM 2903 C CA . TYR A 1 365 ? 12.721 22.188 7.864 1.00 50.47 ? 365 TYR A CA 1 ATOM 2904 C C . TYR A 1 365 ? 13.723 23.000 8.649 1.00 48.09 ? 365 TYR A C 1 ATOM 2905 O O . TYR A 1 365 ? 14.875 22.650 8.753 1.00 50.67 ? 365 TYR A O 1 ATOM 2906 C CB . TYR A 1 365 ? 13.415 21.005 7.173 1.00 47.62 ? 365 TYR A CB 1 ATOM 2907 C CG . TYR A 1 365 ? 12.493 19.848 6.811 1.00 50.04 ? 365 TYR A CG 1 ATOM 2908 C CD1 . TYR A 1 365 ? 12.377 18.729 7.638 1.00 50.31 ? 365 TYR A CD1 1 ATOM 2909 C CD2 . TYR A 1 365 ? 11.765 19.862 5.640 1.00 51.40 ? 365 TYR A CD2 1 ATOM 2910 C CE1 . TYR A 1 365 ? 11.539 17.674 7.302 1.00 45.83 ? 365 TYR A CE1 1 ATOM 2911 C CE2 . TYR A 1 365 ? 10.924 18.816 5.295 1.00 50.10 ? 365 TYR A CE2 1 ATOM 2912 C CZ . TYR A 1 365 ? 10.822 17.728 6.131 1.00 50.43 ? 365 TYR A CZ 1 ATOM 2913 O OH . TYR A 1 365 ? 10.006 16.698 5.759 1.00 44.44 ? 365 TYR A OH 1 ATOM 2914 N N . GLN A 1 366 ? 13.250 24.138 9.124 1.00 52.84 ? 366 GLN A N 1 ATOM 2915 C CA . GLN A 1 366 ? 14.043 25.064 9.870 1.00 56.20 ? 366 GLN A CA 1 ATOM 2916 C C . GLN A 1 366 ? 13.229 25.198 11.117 1.00 53.63 ? 366 GLN A C 1 ATOM 2917 O O . GLN A 1 366 ? 12.040 24.874 11.131 1.00 46.73 ? 366 GLN A O 1 ATOM 2918 C CB . GLN A 1 366 ? 14.181 26.423 9.154 1.00 62.14 ? 366 GLN A CB 1 ATOM 2919 C CG . GLN A 1 366 ? 15.098 26.435 7.923 1.00 65.56 ? 366 GLN A CG 1 ATOM 2920 C CD . GLN A 1 366 ? 16.587 26.222 8.233 1.00 68.77 ? 366 GLN A CD 1 ATOM 2921 O OE1 . GLN A 1 366 ? 17.009 26.142 9.390 1.00 71.56 ? 366 GLN A OE1 1 ATOM 2922 N NE2 . GLN A 1 366 ? 17.390 26.139 7.181 1.00 71.49 ? 366 GLN A NE2 1 ATOM 2923 N N . PRO A 1 367 ? 13.862 25.664 12.185 1.00 51.28 ? 367 PRO A N 1 ATOM 2924 C CA . PRO A 1 367 ? 13.093 25.592 13.390 1.00 47.56 ? 367 PRO A CA 1 ATOM 2925 C C . PRO A 1 367 ? 11.704 26.174 13.160 1.00 49.84 ? 367 PRO A C 1 ATOM 2926 O O . PRO A 1 367 ? 11.552 27.124 12.405 1.00 46.63 ? 367 PRO A O 1 ATOM 2927 C CB . PRO A 1 367 ? 13.931 26.420 14.375 1.00 53.19 ? 367 PRO A CB 1 ATOM 2928 C CG . PRO A 1 367 ? 15.332 26.258 13.898 1.00 51.33 ? 367 PRO A CG 1 ATOM 2929 C CD . PRO A 1 367 ? 15.219 26.211 12.392 1.00 48.52 ? 367 PRO A CD 1 ATOM 2930 N N . TRP A 1 368 ? 10.689 25.563 13.761 1.00 43.82 ? 368 TRP A N 1 ATOM 2931 C CA . TRP A 1 368 ? 9.340 26.088 13.723 1.00 49.06 ? 368 TRP A CA 1 ATOM 2932 C C . TRP A 1 368 ? 9.042 26.935 14.987 1.00 54.43 ? 368 TRP A C 1 ATOM 2933 O O . TRP A 1 368 ? 8.778 26.384 16.059 1.00 57.85 ? 368 TRP A O 1 ATOM 2934 C CB . TRP A 1 368 ? 8.391 24.898 13.649 1.00 48.68 ? 368 TRP A CB 1 ATOM 2935 C CG . TRP A 1 368 ? 6.975 25.237 13.477 1.00 48.28 ? 368 TRP A CG 1 ATOM 2936 C CD1 . TRP A 1 368 ? 6.328 25.476 12.303 1.00 47.97 ? 368 TRP A CD1 1 ATOM 2937 C CD2 . TRP A 1 368 ? 6.009 25.348 14.500 1.00 47.90 ? 368 TRP A CD2 1 ATOM 2938 N NE1 . TRP A 1 368 ? 5.005 25.724 12.533 1.00 50.35 ? 368 TRP A NE1 1 ATOM 2939 C CE2 . TRP A 1 368 ? 4.780 25.654 13.881 1.00 52.60 ? 368 TRP A CE2 1 ATOM 2940 C CE3 . TRP A 1 368 ? 6.045 25.196 15.887 1.00 52.54 ? 368 TRP A CE3 1 ATOM 2941 C CZ2 . TRP A 1 368 ? 3.604 25.835 14.610 1.00 53.72 ? 368 TRP A CZ2 1 ATOM 2942 C CZ3 . TRP A 1 368 ? 4.886 25.364 16.607 1.00 45.78 ? 368 TRP A CZ3 1 ATOM 2943 C CH2 . TRP A 1 368 ? 3.681 25.696 15.972 1.00 51.09 ? 368 TRP A CH2 1 ATOM 2944 N N . GLY A 1 369 ? 9.089 28.266 14.867 1.00 49.71 ? 369 GLY A N 1 ATOM 2945 C CA . GLY A 1 369 ? 8.725 29.160 15.980 1.00 45.03 ? 369 GLY A CA 1 ATOM 2946 C C . GLY A 1 369 ? 9.909 29.480 16.866 1.00 49.54 ? 369 GLY A C 1 ATOM 2947 O O . GLY A 1 369 ? 11.011 28.980 16.630 1.00 51.64 ? 369 GLY A O 1 ATOM 2948 N N . PRO A 1 370 ? 9.684 30.254 17.950 1.00 57.56 ? 370 PRO A N 1 ATOM 2949 C CA . PRO A 1 370 ? 10.788 30.597 18.851 1.00 55.48 ? 370 PRO A CA 1 ATOM 2950 C C . PRO A 1 370 ? 11.178 29.456 19.819 1.00 54.46 ? 370 PRO A C 1 ATOM 2951 O O . PRO A 1 370 ? 12.233 29.507 20.428 1.00 52.83 ? 370 PRO A O 1 ATOM 2952 C CB . PRO A 1 370 ? 10.224 31.791 19.636 1.00 57.12 ? 370 PRO A CB 1 ATOM 2953 C CG . PRO A 1 370 ? 8.754 31.511 19.709 1.00 58.70 ? 370 PRO A CG 1 ATOM 2954 C CD . PRO A 1 370 ? 8.381 30.614 18.551 1.00 55.74 ? 370 PRO A CD 1 ATOM 2955 N N . GLU A 1 371 ? 10.357 28.420 19.945 1.00 66.10 ? 371 GLU A N 1 ATOM 2956 C CA . GLU A 1 371 ? 10.651 27.346 20.915 1.00 70.59 ? 371 GLU A CA 1 ATOM 2957 C C . GLU A 1 371 ? 10.664 26.012 20.209 1.00 61.48 ? 371 GLU A C 1 ATOM 2958 O O . GLU A 1 371 ? 10.070 25.040 20.683 1.00 62.25 ? 371 GLU A O 1 ATOM 2959 C CB . GLU A 1 371 ? 9.601 27.335 22.042 1.00 79.43 ? 371 GLU A CB 1 ATOM 2960 C CG . GLU A 1 371 ? 9.220 28.721 22.555 1.00 82.80 ? 371 GLU A CG 1 ATOM 2961 C CD . GLU A 1 371 ? 8.905 28.728 24.036 1.00 87.99 ? 371 GLU A CD 1 ATOM 2962 O OE1 . GLU A 1 371 ? 8.058 27.916 24.481 1.00 92.05 ? 371 GLU A OE1 1 ATOM 2963 O OE2 . GLU A 1 371 ? 9.511 29.551 24.753 1.00 84.39 ? 371 GLU A OE2 1 ATOM 2964 N N . ALA A 1 372 ? 11.317 25.979 19.054 1.00 53.70 ? 372 ALA A N 1 ATOM 2965 C CA . ALA A 1 372 ? 11.242 24.826 18.168 1.00 49.34 ? 372 ALA A CA 1 ATOM 2966 C C . ALA A 1 372 ? 11.745 23.536 18.893 1.00 43.37 ? 372 ALA A C 1 ATOM 2967 O O . ALA A 1 372 ? 11.144 22.486 18.787 1.00 42.83 ? 372 ALA A O 1 ATOM 2968 C CB . ALA A 1 372 ? 12.020 25.092 16.883 1.00 45.04 ? 372 ALA A CB 1 ATOM 2969 N N . GLU A 1 373 ? 12.790 23.647 19.694 1.00 44.38 ? 373 GLU A N 1 ATOM 2970 C CA . GLU A 1 373 ? 13.370 22.495 20.329 1.00 40.08 ? 373 GLU A CA 1 ATOM 2971 C C . GLU A 1 373 ? 12.972 22.529 21.793 1.00 46.97 ? 373 GLU A C 1 ATOM 2972 O O . GLU A 1 373 ? 13.100 23.588 22.423 1.00 48.76 ? 373 GLU A O 1 ATOM 2973 C CB . GLU A 1 373 ? 14.887 22.530 20.145 1.00 44.30 ? 373 GLU A CB 1 ATOM 2974 C CG . GLU A 1 373 ? 15.519 21.139 20.221 1.00 45.78 ? 373 GLU A CG 1 ATOM 2975 C CD . GLU A 1 373 ? 16.978 21.155 20.616 1.00 49.43 ? 373 GLU A CD 1 ATOM 2976 O OE1 . GLU A 1 373 ? 17.734 20.228 20.194 1.00 44.76 ? 373 GLU A OE1 1 ATOM 2977 O OE2 . GLU A 1 373 ? 17.385 22.068 21.382 1.00 52.47 ? 373 GLU A OE2 1 ATOM 2978 N N . LEU A 1 374 ? 12.502 21.390 22.331 1.00 37.86 ? 374 LEU A N 1 ATOM 2979 C CA . LEU A 1 374 ? 12.126 21.264 23.751 1.00 38.72 ? 374 LEU A CA 1 ATOM 2980 C C . LEU A 1 374 ? 12.850 20.123 24.472 1.00 38.37 ? 374 LEU A C 1 ATOM 2981 O O . LEU A 1 374 ? 13.236 19.196 23.823 1.00 35.22 ? 374 LEU A O 1 ATOM 2982 C CB . LEU A 1 374 ? 10.622 21.049 23.848 1.00 40.02 ? 374 LEU A CB 1 ATOM 2983 C CG . LEU A 1 374 ? 9.899 22.140 23.003 1.00 43.19 ? 374 LEU A CG 1 ATOM 2984 C CD1 . LEU A 1 374 ? 8.433 21.844 22.815 1.00 43.26 ? 374 LEU A CD1 1 ATOM 2985 C CD2 . LEU A 1 374 ? 10.023 23.494 23.683 1.00 44.17 ? 374 LEU A CD2 1 ATOM 2986 N N . PRO A 1 375 ? 13.076 20.225 25.814 1.00 36.00 ? 375 PRO A N 1 ATOM 2987 C CA . PRO A 1 375 ? 13.566 19.067 26.568 1.00 37.47 ? 375 PRO A CA 1 ATOM 2988 C C . PRO A 1 375 ? 12.554 17.934 26.549 1.00 35.67 ? 375 PRO A C 1 ATOM 2989 O O . PRO A 1 375 ? 11.318 18.141 26.706 1.00 36.84 ? 375 PRO A O 1 ATOM 2990 C CB . PRO A 1 375 ? 13.799 19.614 28.008 1.00 36.27 ? 375 PRO A CB 1 ATOM 2991 C CG . PRO A 1 375 ? 13.866 21.125 27.797 1.00 38.21 ? 375 PRO A CG 1 ATOM 2992 C CD . PRO A 1 375 ? 12.871 21.378 26.692 1.00 33.79 ? 375 PRO A CD 1 ATOM 2993 N N . LEU A 1 376 ? 13.063 16.718 26.405 1.00 37.50 ? 376 LEU A N 1 ATOM 2994 C CA . LEU A 1 376 ? 12.144 15.590 26.180 1.00 34.98 ? 376 LEU A CA 1 ATOM 2995 C C . LEU A 1 376 ? 11.184 15.481 27.379 1.00 34.72 ? 376 LEU A C 1 ATOM 2996 O O . LEU A 1 376 ? 10.051 15.100 27.223 1.00 31.99 ? 376 LEU A O 1 ATOM 2997 C CB . LEU A 1 376 ? 12.943 14.315 26.022 1.00 37.91 ? 376 LEU A CB 1 ATOM 2998 C CG . LEU A 1 376 ? 12.224 12.956 25.942 1.00 38.49 ? 376 LEU A CG 1 ATOM 2999 C CD1 . LEU A 1 376 ? 11.441 12.851 24.635 1.00 37.70 ? 376 LEU A CD1 1 ATOM 3000 C CD2 . LEU A 1 376 ? 13.238 11.842 26.029 1.00 39.10 ? 376 LEU A CD2 1 ATOM 3001 N N . HIS A 1 377 ? 11.642 15.814 28.579 1.00 34.97 ? 377 HIS A N 1 ATOM 3002 C CA . HIS A 1 377 ? 10.807 15.583 29.758 1.00 38.89 ? 377 HIS A CA 1 ATOM 3003 C C . HIS A 1 377 ? 9.560 16.437 29.803 1.00 38.37 ? 377 HIS A C 1 ATOM 3004 O O . HIS A 1 377 ? 8.530 15.979 30.270 1.00 42.10 ? 377 HIS A O 1 ATOM 3005 C CB . HIS A 1 377 ? 11.577 15.692 31.024 1.00 35.10 ? 377 HIS A CB 1 ATOM 3006 C CG . HIS A 1 377 ? 11.865 17.082 31.479 1.00 41.46 ? 377 HIS A CG 1 ATOM 3007 N ND1 . HIS A 1 377 ? 13.034 17.737 31.160 1.00 44.99 ? 377 HIS A ND1 1 ATOM 3008 C CD2 . HIS A 1 377 ? 11.207 17.897 32.339 1.00 48.29 ? 377 HIS A CD2 1 ATOM 3009 C CE1 . HIS A 1 377 ? 13.059 18.917 31.754 1.00 44.78 ? 377 HIS A CE1 1 ATOM 3010 N NE2 . HIS A 1 377 ? 11.971 19.032 32.488 1.00 44.19 ? 377 HIS A NE2 1 ATOM 3011 N N . THR A 1 378 ? 9.617 17.631 29.224 1.00 37.03 ? 378 THR A N 1 ATOM 3012 C CA . THR A 1 378 ? 8.453 18.481 29.194 1.00 37.02 ? 378 THR A CA 1 ATOM 3013 C C . THR A 1 378 ? 7.449 17.902 28.216 1.00 43.23 ? 378 THR A C 1 ATOM 3014 O O . THR A 1 378 ? 6.416 18.501 27.987 1.00 42.37 ? 378 THR A O 1 ATOM 3015 C CB . THR A 1 378 ? 8.788 19.908 28.720 1.00 37.55 ? 378 THR A CB 1 ATOM 3016 O OG1 . THR A 1 378 ? 9.214 19.879 27.358 1.00 39.87 ? 378 THR A OG1 1 ATOM 3017 C CG2 . THR A 1 378 ? 9.881 20.516 29.564 1.00 39.99 ? 378 THR A CG2 1 ATOM 3018 N N . LEU A 1 379 ? 7.772 16.763 27.582 1.00 44.96 ? 379 LEU A N 1 ATOM 3019 C CA . LEU A 1 379 ? 6.910 16.188 26.550 1.00 41.05 ? 379 LEU A CA 1 ATOM 3020 C C . LEU A 1 379 ? 6.303 14.821 26.916 1.00 37.41 ? 379 LEU A C 1 ATOM 3021 O O . LEU A 1 379 ? 5.572 14.241 26.108 1.00 35.01 ? 379 LEU A O 1 ATOM 3022 C CB . LEU A 1 379 ? 7.685 16.099 25.231 1.00 41.48 ? 379 LEU A CB 1 ATOM 3023 C CG . LEU A 1 379 ? 8.087 17.493 24.731 1.00 48.06 ? 379 LEU A CG 1 ATOM 3024 C CD1 . LEU A 1 379 ? 9.020 17.407 23.522 1.00 49.21 ? 379 LEU A CD1 1 ATOM 3025 C CD2 . LEU A 1 379 ? 6.847 18.302 24.368 1.00 50.24 ? 379 LEU A CD2 1 ATOM 3026 N N . PHE A 1 380 ? 6.625 14.317 28.107 1.00 36.65 ? 380 PHE A N 1 ATOM 3027 C CA . PHE A 1 380 ? 5.962 13.161 28.631 1.00 38.71 ? 380 PHE A CA 1 ATOM 3028 C C . PHE A 1 380 ? 4.506 13.568 28.900 1.00 45.02 ? 380 PHE A C 1 ATOM 3029 O O . PHE A 1 380 ? 4.267 14.509 29.638 1.00 54.04 ? 380 PHE A O 1 ATOM 3030 C CB . PHE A 1 380 ? 6.616 12.656 29.930 1.00 32.92 ? 380 PHE A CB 1 ATOM 3031 C CG . PHE A 1 380 ? 8.078 12.319 29.800 1.00 29.39 ? 380 PHE A CG 1 ATOM 3032 C CD1 . PHE A 1 380 ? 8.551 11.573 28.726 1.00 30.88 ? 380 PHE A CD1 1 ATOM 3033 C CD2 . PHE A 1 380 ? 8.991 12.767 30.743 1.00 30.55 ? 380 PHE A CD2 1 ATOM 3034 C CE1 . PHE A 1 380 ? 9.910 11.262 28.621 1.00 27.93 ? 380 PHE A CE1 1 ATOM 3035 C CE2 . PHE A 1 380 ? 10.335 12.477 30.637 1.00 32.13 ? 380 PHE A CE2 1 ATOM 3036 C CZ . PHE A 1 380 ? 10.806 11.764 29.552 1.00 29.74 ? 380 PHE A CZ 1 ATOM 3037 N N . PHE A 1 381 ? 3.560 12.839 28.315 1.00 45.45 ? 381 PHE A N 1 ATOM 3038 C CA . PHE A 1 381 ? 2.099 12.999 28.559 1.00 49.05 ? 381 PHE A CA 1 ATOM 3039 C C . PHE A 1 381 ? 1.517 14.341 28.091 1.00 53.52 ? 381 PHE A C 1 ATOM 3040 O O . PHE A 1 381 ? 0.599 14.931 28.702 1.00 46.37 ? 381 PHE A O 1 ATOM 3041 C CB . PHE A 1 381 ? 1.765 12.636 29.995 1.00 46.69 ? 381 PHE A CB 1 ATOM 3042 C CG . PHE A 1 381 ? 2.038 11.194 30.293 1.00 46.08 ? 381 PHE A CG 1 ATOM 3043 C CD1 . PHE A 1 381 ? 1.129 10.201 29.881 1.00 40.82 ? 381 PHE A CD1 1 ATOM 3044 C CD2 . PHE A 1 381 ? 3.221 10.815 30.916 1.00 43.73 ? 381 PHE A CD2 1 ATOM 3045 C CE1 . PHE A 1 381 ? 1.374 8.869 30.116 1.00 45.10 ? 381 PHE A CE1 1 ATOM 3046 C CE2 . PHE A 1 381 ? 3.477 9.469 31.158 1.00 47.53 ? 381 PHE A CE2 1 ATOM 3047 C CZ . PHE A 1 381 ? 2.549 8.492 30.755 1.00 49.50 ? 381 PHE A CZ 1 ATOM 3048 N N . ASN A 1 382 ? 2.028 14.747 26.930 1.00 50.11 ? 382 ASN A N 1 ATOM 3049 C CA . ASN A 1 382 ? 1.859 16.077 26.428 1.00 44.83 ? 382 ASN A CA 1 ATOM 3050 C C . ASN A 1 382 ? 1.187 16.018 25.078 1.00 44.55 ? 382 ASN A C 1 ATOM 3051 O O . ASN A 1 382 ? 1.809 15.722 24.055 1.00 45.12 ? 382 ASN A O 1 ATOM 3052 C CB . ASN A 1 382 ? 3.219 16.762 26.360 1.00 43.42 ? 382 ASN A CB 1 ATOM 3053 C CG . ASN A 1 382 ? 3.121 18.267 26.114 1.00 42.34 ? 382 ASN A CG 1 ATOM 3054 O OD1 . ASN A 1 382 ? 2.283 18.748 25.330 1.00 38.39 ? 382 ASN A OD1 1 ATOM 3055 N ND2 . ASN A 1 382 ? 4.038 19.010 26.736 1.00 40.82 ? 382 ASN A ND2 1 ATOM 3056 N N . THR A 1 383 ? -0.120 16.250 25.113 1.00 44.25 ? 383 THR A N 1 ATOM 3057 C CA . THR A 1 383 ? -0.938 16.452 23.944 1.00 47.35 ? 383 THR A CA 1 ATOM 3058 C C . THR A 1 383 ? -1.070 17.945 23.614 1.00 49.21 ? 383 THR A C 1 ATOM 3059 O O . THR A 1 383 ? -1.179 18.321 22.455 1.00 55.74 ? 383 THR A O 1 ATOM 3060 C CB . THR A 1 383 ? -2.344 15.922 24.217 1.00 44.50 ? 383 THR A CB 1 ATOM 3061 O OG1 . THR A 1 383 ? -2.676 16.185 25.588 1.00 48.12 ? 383 THR A OG1 1 ATOM 3062 C CG2 . THR A 1 383 ? -2.378 14.437 23.998 1.00 51.23 ? 383 THR A CG2 1 ATOM 3063 N N . TRP A 1 384 ? -1.069 18.794 24.627 1.00 51.16 ? 384 TRP A N 1 ATOM 3064 C CA . TRP A 1 384 ? -1.350 20.188 24.392 1.00 54.44 ? 384 TRP A CA 1 ATOM 3065 C C . TRP A 1 384 ? -0.421 20.849 23.370 1.00 57.04 ? 384 TRP A C 1 ATOM 3066 O O . TRP A 1 384 ? -0.877 21.664 22.579 1.00 54.15 ? 384 TRP A O 1 ATOM 3067 C CB . TRP A 1 384 ? -1.407 20.957 25.701 1.00 53.89 ? 384 TRP A CB 1 ATOM 3068 C CG . TRP A 1 384 ? -0.135 21.308 26.360 1.00 47.80 ? 384 TRP A CG 1 ATOM 3069 C CD1 . TRP A 1 384 ? 0.387 20.732 27.469 1.00 50.08 ? 384 TRP A CD1 1 ATOM 3070 C CD2 . TRP A 1 384 ? 0.721 22.394 26.026 1.00 51.06 ? 384 TRP A CD2 1 ATOM 3071 N NE1 . TRP A 1 384 ? 1.554 21.353 27.825 1.00 47.58 ? 384 TRP A NE1 1 ATOM 3072 C CE2 . TRP A 1 384 ? 1.770 22.396 26.958 1.00 49.95 ? 384 TRP A CE2 1 ATOM 3073 C CE3 . TRP A 1 384 ? 0.702 23.375 25.025 1.00 55.07 ? 384 TRP A CE3 1 ATOM 3074 C CZ2 . TRP A 1 384 ? 2.809 23.340 26.917 1.00 55.31 ? 384 TRP A CZ2 1 ATOM 3075 C CZ3 . TRP A 1 384 ? 1.737 24.312 24.988 1.00 54.23 ? 384 TRP A CZ3 1 ATOM 3076 C CH2 . TRP A 1 384 ? 2.773 24.284 25.925 1.00 47.98 ? 384 TRP A CH2 1 ATOM 3077 N N . ARG A 1 385 ? 0.858 20.476 23.358 1.00 57.61 ? 385 ARG A N 1 ATOM 3078 C CA . ARG A 1 385 ? 1.776 20.924 22.290 1.00 50.02 ? 385 ARG A CA 1 ATOM 3079 C C . ARG A 1 385 ? 1.391 20.465 20.904 1.00 52.97 ? 385 ARG A C 1 ATOM 3080 O O . ARG A 1 385 ? 1.828 21.057 19.899 1.00 57.43 ? 385 ARG A O 1 ATOM 3081 C CB . ARG A 1 385 ? 3.223 20.513 22.579 1.00 55.25 ? 385 ARG A CB 1 ATOM 3082 C CG . ARG A 1 385 ? 3.877 21.257 23.728 1.00 54.58 ? 385 ARG A CG 1 ATOM 3083 C CD . ARG A 1 385 ? 4.622 22.507 23.273 1.00 52.37 ? 385 ARG A CD 1 ATOM 3084 N NE . ARG A 1 385 ? 5.411 23.091 24.368 1.00 49.17 ? 385 ARG A NE 1 ATOM 3085 C CZ . ARG A 1 385 ? 5.970 24.312 24.367 1.00 50.69 ? 385 ARG A CZ 1 ATOM 3086 N NH1 . ARG A 1 385 ? 5.859 25.115 23.323 1.00 45.17 ? 385 ARG A NH1 1 ATOM 3087 N NH2 . ARG A 1 385 ? 6.651 24.728 25.445 1.00 51.58 ? 385 ARG A NH2 1 ATOM 3088 N N . ILE A 1 386 ? 0.611 19.397 20.800 1.00 52.09 ? 386 ILE A N 1 ATOM 3089 C CA . ILE A 1 386 ? 0.090 19.042 19.510 1.00 51.29 ? 386 ILE A CA 1 ATOM 3090 C C . ILE A 1 386 ? -1.111 19.925 19.165 1.00 56.27 ? 386 ILE A C 1 ATOM 3091 O O . ILE A 1 386 ? -1.158 20.513 18.083 1.00 53.36 ? 386 ILE A O 1 ATOM 3092 C CB . ILE A 1 386 ? -0.371 17.586 19.387 1.00 54.43 ? 386 ILE A CB 1 ATOM 3093 C CG1 . ILE A 1 386 ? 0.785 16.613 19.652 1.00 59.50 ? 386 ILE A CG1 1 ATOM 3094 C CG2 . ILE A 1 386 ? -0.901 17.359 17.976 1.00 50.01 ? 386 ILE A CG2 1 ATOM 3095 C CD1 . ILE A 1 386 ? 0.362 15.153 19.768 1.00 57.19 ? 386 ILE A CD1 1 ATOM 3096 N N . ILE A 1 387 ? -2.076 19.979 20.081 1.00 61.42 ? 387 ILE A N 1 ATOM 3097 C CA . ILE A 1 387 ? -3.381 20.594 19.820 1.00 66.11 ? 387 ILE A CA 1 ATOM 3098 C C . ILE A 1 387 ? -3.237 22.103 19.614 1.00 64.74 ? 387 ILE A C 1 ATOM 3099 O O . ILE A 1 387 ? -3.800 22.651 18.669 1.00 75.82 ? 387 ILE A O 1 ATOM 3100 C CB . ILE A 1 387 ? -4.384 20.344 20.989 1.00 67.41 ? 387 ILE A CB 1 ATOM 3101 C CG1 . ILE A 1 387 ? -4.603 18.846 21.250 1.00 62.82 ? 387 ILE A CG1 1 ATOM 3102 C CG2 . ILE A 1 387 ? -5.719 21.041 20.727 1.00 67.50 ? 387 ILE A CG2 1 ATOM 3103 C CD1 . ILE A 1 387 ? -5.143 18.067 20.061 1.00 61.28 ? 387 ILE A CD1 1 ATOM 3104 N N . LYS A 1 388 ? -2.460 22.748 20.484 1.00 71.69 ? 388 LYS A N 1 ATOM 3105 C CA . LYS A 1 388 ? -2.358 24.210 20.550 1.00 68.72 ? 388 LYS A CA 1 ATOM 3106 C C . LYS A 1 388 ? -0.919 24.719 20.375 1.00 72.12 ? 388 LYS A C 1 ATOM 3107 O O . LYS A 1 388 ? -0.481 25.632 21.104 1.00 65.04 ? 388 LYS A O 1 ATOM 3108 C CB . LYS A 1 388 ? -2.888 24.691 21.906 1.00 73.44 ? 388 LYS A CB 1 ATOM 3109 C CG . LYS A 1 388 ? -4.250 24.144 22.306 1.00 80.30 ? 388 LYS A CG 1 ATOM 3110 C CD . LYS A 1 388 ? -4.607 24.577 23.720 1.00 90.83 ? 388 LYS A CD 1 ATOM 3111 C CE . LYS A 1 388 ? -5.921 23.969 24.183 1.00 97.51 ? 388 LYS A CE 1 ATOM 3112 N NZ . LYS A 1 388 ? -7.081 24.425 23.364 1.00 100.35 ? 388 LYS A NZ 1 ATOM 3113 N N . ASP A 1 389 ? -0.173 24.143 19.446 1.00 66.32 ? 389 ASP A N 1 ATOM 3114 C CA . ASP A 1 389 ? 1.155 24.650 19.126 1.00 55.62 ? 389 ASP A CA 1 ATOM 3115 C C . ASP A 1 389 ? 1.166 24.743 17.622 1.00 54.66 ? 389 ASP A C 1 ATOM 3116 O O . ASP A 1 389 ? 0.462 25.565 17.035 1.00 63.04 ? 389 ASP A O 1 ATOM 3117 C CB . ASP A 1 389 ? 2.236 23.686 19.610 1.00 56.02 ? 389 ASP A CB 1 ATOM 3118 C CG . ASP A 1 389 ? 3.460 24.404 20.144 1.00 58.39 ? 389 ASP A CG 1 ATOM 3119 O OD1 . ASP A 1 389 ? 4.084 25.168 19.377 1.00 63.76 ? 389 ASP A OD1 1 ATOM 3120 O OD2 . ASP A 1 389 ? 3.798 24.206 21.330 1.00 45.05 ? 389 ASP A OD2 1 ATOM 3121 N N . GLY A 1 390 ? 1.939 23.872 16.992 1.00 51.35 ? 390 GLY A N 1 ATOM 3122 C CA . GLY A 1 390 ? 1.653 23.507 15.609 1.00 53.58 ? 390 GLY A CA 1 ATOM 3123 C C . GLY A 1 390 ? 0.832 22.267 15.347 1.00 52.66 ? 390 GLY A C 1 ATOM 3124 O O . GLY A 1 390 ? 0.084 21.796 16.189 1.00 56.03 ? 390 GLY A O 1 ATOM 3125 N N . GLY A 1 391 ? 0.959 21.722 14.155 1.00 53.86 ? 391 GLY A N 1 ATOM 3126 C CA . GLY A 1 391 ? 0.246 20.492 13.843 1.00 51.29 ? 391 GLY A CA 1 ATOM 3127 C C . GLY A 1 391 ? 0.823 19.289 14.560 1.00 48.39 ? 391 GLY A C 1 ATOM 3128 O O . GLY A 1 391 ? 1.524 19.370 15.516 1.00 46.79 ? 391 GLY A O 1 ATOM 3129 N N . ILE A 1 392 ? 0.490 18.149 14.045 1.00 41.97 ? 392 ILE A N 1 ATOM 3130 C CA . ILE A 1 392 ? 1.429 17.013 13.950 1.00 48.68 ? 392 ILE A CA 1 ATOM 3131 C C . ILE A 1 392 ? 2.583 17.255 12.999 1.00 53.05 ? 392 ILE A C 1 ATOM 3132 O O . ILE A 1 392 ? 3.624 16.585 13.114 1.00 51.29 ? 392 ILE A O 1 ATOM 3133 C CB . ILE A 1 392 ? 0.692 15.683 13.601 1.00 47.53 ? 392 ILE A CB 1 ATOM 3134 C CG1 . ILE A 1 392 ? 0.724 14.687 14.750 1.00 49.98 ? 392 ILE A CG1 1 ATOM 3135 C CG2 . ILE A 1 392 ? 1.341 14.903 12.465 1.00 57.77 ? 392 ILE A CG2 1 ATOM 3136 C CD1 . ILE A 1 392 ? 0.348 15.237 16.082 1.00 53.55 ? 392 ILE A CD1 1 ATOM 3137 N N . ASP A 1 393 ? 2.418 18.193 12.068 1.00 51.52 ? 393 ASP A N 1 ATOM 3138 C CA . ASP A 1 393 ? 3.312 18.263 10.904 1.00 50.84 ? 393 ASP A CA 1 ATOM 3139 C C . ASP A 1 393 ? 4.740 18.633 11.261 1.00 48.34 ? 393 ASP A C 1 ATOM 3140 O O . ASP A 1 393 ? 5.648 18.036 10.728 1.00 44.33 ? 393 ASP A O 1 ATOM 3141 C CB . ASP A 1 393 ? 2.786 19.249 9.853 1.00 56.06 ? 393 ASP A CB 1 ATOM 3142 C CG . ASP A 1 393 ? 1.733 18.645 8.942 1.00 58.92 ? 393 ASP A CG 1 ATOM 3143 O OD1 . ASP A 1 393 ? 1.922 17.503 8.545 1.00 63.27 ? 393 ASP A OD1 1 ATOM 3144 O OD2 . ASP A 1 393 ? 0.720 19.304 8.602 1.00 66.52 ? 393 ASP A OD2 1 ATOM 3145 N N . PRO A 1 394 ? 4.943 19.678 12.101 1.00 47.91 ? 394 PRO A N 1 ATOM 3146 C CA . PRO A 1 394 ? 6.303 19.994 12.488 1.00 50.81 ? 394 PRO A CA 1 ATOM 3147 C C . PRO A 1 394 ? 7.024 18.853 13.228 1.00 47.64 ? 394 PRO A C 1 ATOM 3148 O O . PRO A 1 394 ? 8.217 18.685 13.052 1.00 50.35 ? 394 PRO A O 1 ATOM 3149 C CB . PRO A 1 394 ? 6.150 21.221 13.400 1.00 51.29 ? 394 PRO A CB 1 ATOM 3150 C CG . PRO A 1 394 ? 4.858 21.835 13.009 1.00 53.85 ? 394 PRO A CG 1 ATOM 3151 C CD . PRO A 1 394 ? 3.990 20.702 12.553 1.00 50.37 ? 394 PRO A CD 1 ATOM 3152 N N . LEU A 1 395 ? 6.284 18.099 14.034 1.00 40.13 ? 395 LEU A N 1 ATOM 3153 C CA . LEU A 1 395 ? 6.854 16.989 14.786 1.00 41.00 ? 395 LEU A CA 1 ATOM 3154 C C . LEU A 1 395 ? 7.278 15.854 13.860 1.00 41.24 ? 395 LEU A C 1 ATOM 3155 O O . LEU A 1 395 ? 8.288 15.192 14.099 1.00 39.44 ? 395 LEU A O 1 ATOM 3156 C CB . LEU A 1 395 ? 5.853 16.475 15.823 1.00 45.73 ? 395 LEU A CB 1 ATOM 3157 C CG . LEU A 1 395 ? 5.441 17.462 16.917 1.00 53.31 ? 395 LEU A CG 1 ATOM 3158 C CD1 . LEU A 1 395 ? 4.181 16.987 17.623 1.00 57.08 ? 395 LEU A CD1 1 ATOM 3159 C CD2 . LEU A 1 395 ? 6.574 17.666 17.912 1.00 55.97 ? 395 LEU A CD2 1 ATOM 3160 N N . VAL A 1 396 ? 6.502 15.632 12.804 1.00 38.59 ? 396 VAL A N 1 ATOM 3161 C CA . VAL A 1 396 ? 6.808 14.567 11.847 1.00 36.82 ? 396 VAL A CA 1 ATOM 3162 C C . VAL A 1 396 ? 8.036 14.926 11.027 1.00 37.59 ? 396 VAL A C 1 ATOM 3163 O O . VAL A 1 396 ? 8.832 14.057 10.669 1.00 39.24 ? 396 VAL A O 1 ATOM 3164 C CB . VAL A 1 396 ? 5.598 14.262 10.967 1.00 36.91 ? 396 VAL A CB 1 ATOM 3165 C CG1 . VAL A 1 396 ? 5.905 13.192 9.964 1.00 38.09 ? 396 VAL A CG1 1 ATOM 3166 C CG2 . VAL A 1 396 ? 4.405 13.831 11.825 1.00 36.51 ? 396 VAL A CG2 1 ATOM 3167 N N . ARG A 1 397 ? 8.202 16.208 10.722 1.00 37.47 ? 397 ARG A N 1 ATOM 3168 C CA . ARG A 1 397 ? 9.420 16.671 10.066 1.00 39.41 ? 397 ARG A CA 1 ATOM 3169 C C . ARG A 1 397 ? 10.631 16.476 10.948 1.00 37.25 ? 397 ARG A C 1 ATOM 3170 O O . ARG A 1 397 ? 11.705 16.129 10.477 1.00 37.22 ? 397 ARG A O 1 ATOM 3171 C CB . ARG A 1 397 ? 9.300 18.159 9.738 1.00 42.37 ? 397 ARG A CB 1 ATOM 3172 C CG . ARG A 1 397 ? 8.201 18.454 8.737 1.00 44.34 ? 397 ARG A CG 1 ATOM 3173 C CD . ARG A 1 397 ? 8.407 19.829 8.101 1.00 50.23 ? 397 ARG A CD 1 ATOM 3174 N NE . ARG A 1 397 ? 7.245 20.140 7.287 1.00 47.61 ? 397 ARG A NE 1 ATOM 3175 C CZ . ARG A 1 397 ? 6.177 20.790 7.713 1.00 48.12 ? 397 ARG A CZ 1 ATOM 3176 N NH1 . ARG A 1 397 ? 6.109 21.253 8.952 1.00 51.85 ? 397 ARG A NH1 1 ATOM 3177 N NH2 . ARG A 1 397 ? 5.168 20.992 6.877 1.00 52.02 ? 397 ARG A NH2 1 ATOM 3178 N N . GLY A 1 398 ? 10.450 16.742 12.239 1.00 37.53 ? 398 GLY A N 1 ATOM 3179 C CA . GLY A 1 398 ? 11.491 16.469 13.240 1.00 38.15 ? 398 GLY A CA 1 ATOM 3180 C C . GLY A 1 398 ? 11.807 14.978 13.259 1.00 37.04 ? 398 GLY A C 1 ATOM 3181 O O . GLY A 1 398 ? 12.954 14.573 13.188 1.00 33.23 ? 398 GLY A O 1 ATOM 3182 N N . LEU A 1 399 ? 10.773 14.153 13.297 1.00 36.62 ? 399 LEU A N 1 ATOM 3183 C CA . LEU A 1 399 ? 11.004 12.719 13.182 1.00 38.74 ? 399 LEU A CA 1 ATOM 3184 C C . LEU A 1 399 ? 11.878 12.343 11.996 1.00 38.47 ? 399 LEU A C 1 ATOM 3185 O O . LEU A 1 399 ? 12.624 11.361 12.086 1.00 39.60 ? 399 LEU A O 1 ATOM 3186 C CB . LEU A 1 399 ? 9.693 11.935 13.151 1.00 38.86 ? 399 LEU A CB 1 ATOM 3187 C CG . LEU A 1 399 ? 9.045 11.712 14.522 1.00 36.87 ? 399 LEU A CG 1 ATOM 3188 C CD1 . LEU A 1 399 ? 7.672 11.107 14.305 1.00 38.47 ? 399 LEU A CD1 1 ATOM 3189 C CD2 . LEU A 1 399 ? 9.891 10.793 15.406 1.00 38.64 ? 399 LEU A CD2 1 ATOM 3190 N N . LEU A 1 400 ? 11.823 13.110 10.896 1.00 38.69 ? 400 LEU A N 1 ATOM 3191 C CA . LEU A 1 400 ? 12.561 12.749 9.657 1.00 35.65 ? 400 LEU A CA 1 ATOM 3192 C C . LEU A 1 400 ? 13.965 13.276 9.615 1.00 37.52 ? 400 LEU A C 1 ATOM 3193 O O . LEU A 1 400 ? 14.946 12.580 9.190 1.00 34.79 ? 400 LEU A O 1 ATOM 3194 C CB . LEU A 1 400 ? 11.817 13.264 8.415 1.00 43.07 ? 400 LEU A CB 1 ATOM 3195 C CG . LEU A 1 400 ? 10.462 12.602 8.169 1.00 43.29 ? 400 LEU A CG 1 ATOM 3196 C CD1 . LEU A 1 400 ? 9.620 13.351 7.155 1.00 41.81 ? 400 LEU A CD1 1 ATOM 3197 C CD2 . LEU A 1 400 ? 10.674 11.171 7.719 1.00 47.59 ? 400 LEU A CD2 1 ATOM 3198 N N . ALA A 1 401 ? 14.077 14.523 10.072 1.00 40.11 ? 401 ALA A N 1 ATOM 3199 C CA . ALA A 1 401 ? 15.277 15.314 9.827 1.00 39.75 ? 401 ALA A CA 1 ATOM 3200 C C . ALA A 1 401 ? 16.163 15.377 11.048 1.00 37.60 ? 401 ALA A C 1 ATOM 3201 O O . ALA A 1 401 ? 17.292 15.805 10.941 1.00 36.58 ? 401 ALA A O 1 ATOM 3202 C CB . ALA A 1 401 ? 14.899 16.712 9.370 1.00 37.48 ? 401 ALA A CB 1 ATOM 3203 N N . LYS A 1 402 ? 15.671 14.968 12.210 1.00 35.05 ? 402 LYS A N 1 ATOM 3204 C CA . LYS A 1 402 ? 16.574 14.867 13.355 1.00 36.26 ? 402 LYS A CA 1 ATOM 3205 C C . LYS A 1 402 ? 16.983 13.420 13.510 1.00 36.21 ? 402 LYS A C 1 ATOM 3206 O O . LYS A 1 402 ? 16.382 12.526 12.883 1.00 40.25 ? 402 LYS A O 1 ATOM 3207 C CB . LYS A 1 402 ? 15.917 15.438 14.615 1.00 39.26 ? 402 LYS A CB 1 ATOM 3208 C CG . LYS A 1 402 ? 15.522 16.930 14.519 1.00 39.07 ? 402 LYS A CG 1 ATOM 3209 C CD . LYS A 1 402 ? 16.688 17.754 13.963 1.00 39.92 ? 402 LYS A CD 1 ATOM 3210 C CE . LYS A 1 402 ? 16.421 19.265 13.963 1.00 41.70 ? 402 LYS A CE 1 ATOM 3211 N NZ . LYS A 1 402 ? 17.736 19.956 13.881 1.00 45.35 ? 402 LYS A NZ 1 ATOM 3212 N N . LYS A 1 403 ? 18.024 13.197 14.304 1.00 36.60 ? 403 LYS A N 1 ATOM 3213 C CA . LYS A 1 403 ? 18.628 11.868 14.521 1.00 35.16 ? 403 LYS A CA 1 ATOM 3214 C C . LYS A 1 403 ? 18.236 11.186 15.835 1.00 33.25 ? 403 LYS A C 1 ATOM 3215 O O . LYS A 1 403 ? 17.969 11.844 16.838 1.00 35.15 ? 403 LYS A O 1 ATOM 3216 C CB . LYS A 1 403 ? 20.150 11.981 14.526 1.00 34.89 ? 403 LYS A CB 1 ATOM 3217 C CG . LYS A 1 403 ? 20.730 12.767 13.368 1.00 34.68 ? 403 LYS A CG 1 ATOM 3218 C CD . LYS A 1 403 ? 22.252 12.904 13.463 1.00 32.09 ? 403 LYS A CD 1 ATOM 3219 C CE . LYS A 1 403 ? 22.910 13.234 12.109 1.00 35.06 ? 403 LYS A CE 1 ATOM 3220 N NZ . LYS A 1 403 ? 22.091 14.168 11.290 1.00 36.90 ? 403 LYS A NZ 1 ATOM 3221 N N . SER A 1 404 ? 18.272 9.850 15.851 1.00 33.50 ? 404 SER A N 1 ATOM 3222 C CA . SER A 1 404 ? 18.201 9.119 17.127 1.00 29.63 ? 404 SER A CA 1 ATOM 3223 C C . SER A 1 404 ? 19.427 9.367 17.978 1.00 34.03 ? 404 SER A C 1 ATOM 3224 O O . SER A 1 404 ? 20.529 9.744 17.478 1.00 33.11 ? 404 SER A O 1 ATOM 3225 C CB . SER A 1 404 ? 17.993 7.605 16.909 1.00 29.16 ? 404 SER A CB 1 ATOM 3226 O OG . SER A 1 404 ? 16.682 7.327 16.450 1.00 28.44 ? 404 SER A OG 1 ATOM 3227 N N . LYS A 1 405 ? 19.278 9.072 19.272 1.00 37.13 ? 405 LYS A N 1 ATOM 3228 C CA . LYS A 1 405 ? 20.474 8.895 20.101 1.00 36.89 ? 405 LYS A CA 1 ATOM 3229 C C . LYS A 1 405 ? 21.152 7.586 19.696 1.00 34.75 ? 405 LYS A C 1 ATOM 3230 O O . LYS A 1 405 ? 20.473 6.622 19.410 1.00 38.86 ? 405 LYS A O 1 ATOM 3231 C CB . LYS A 1 405 ? 20.177 8.941 21.606 1.00 32.75 ? 405 LYS A CB 1 ATOM 3232 C CG . LYS A 1 405 ? 21.413 8.765 22.478 1.00 34.09 ? 405 LYS A CG 1 ATOM 3233 C CD . LYS A 1 405 ? 21.054 8.693 23.953 1.00 33.47 ? 405 LYS A CD 1 ATOM 3234 C CE . LYS A 1 405 ? 22.198 8.102 24.797 1.00 35.17 ? 405 LYS A CE 1 ATOM 3235 N NZ . LYS A 1 405 ? 22.791 6.854 24.207 1.00 34.69 ? 405 LYS A NZ 1 ATOM 3236 N N . LEU A 1 406 ? 22.476 7.601 19.658 1.00 35.86 ? 406 LEU A N 1 ATOM 3237 C CA . LEU A 1 406 ? 23.314 6.434 19.529 1.00 38.19 ? 406 LEU A CA 1 ATOM 3238 C C . LEU A 1 406 ? 23.636 5.889 20.890 1.00 36.53 ? 406 LEU A C 1 ATOM 3239 O O . LEU A 1 406 ? 24.092 6.616 21.754 1.00 35.11 ? 406 LEU A O 1 ATOM 3240 C CB . LEU A 1 406 ? 24.646 6.806 18.926 1.00 39.49 ? 406 LEU A CB 1 ATOM 3241 C CG . LEU A 1 406 ? 25.478 5.597 18.547 1.00 38.63 ? 406 LEU A CG 1 ATOM 3242 C CD1 . LEU A 1 406 ? 24.842 4.933 17.328 1.00 41.23 ? 406 LEU A CD1 1 ATOM 3243 C CD2 . LEU A 1 406 ? 26.917 5.975 18.219 1.00 41.00 ? 406 LEU A CD2 1 ATOM 3244 N N . MET A 1 407 ? 23.441 4.591 21.068 1.00 40.69 ? 407 MET A N 1 ATOM 3245 C CA . MET A 1 407 ? 23.813 3.965 22.320 1.00 40.35 ? 407 MET A CA 1 ATOM 3246 C C . MET A 1 407 ? 25.333 4.032 22.389 1.00 38.98 ? 407 MET A C 1 ATOM 3247 O O . MET A 1 407 ? 26.053 4.068 21.382 1.00 37.11 ? 407 MET A O 1 ATOM 3248 C CB . MET A 1 407 ? 23.285 2.540 22.430 1.00 47.47 ? 407 MET A CB 1 ATOM 3249 C CG . MET A 1 407 ? 23.334 1.934 23.823 1.00 55.38 ? 407 MET A CG 1 ATOM 3250 S SD . MET A 1 407 ? 24.959 1.427 24.422 1.00 71.12 ? 407 MET A SD 1 ATOM 3251 C CE . MET A 1 407 ? 25.709 0.752 22.936 1.00 52.20 ? 407 MET A CE 1 ATOM 3252 N N . ASN A 1 408 ? 25.807 4.117 23.614 1.00 35.40 ? 408 ASN A N 1 ATOM 3253 C CA . ASN A 1 408 ? 27.172 4.462 23.873 1.00 34.79 ? 408 ASN A CA 1 ATOM 3254 C C . ASN A 1 408 ? 27.447 3.884 25.237 1.00 35.88 ? 408 ASN A C 1 ATOM 3255 O O . ASN A 1 408 ? 26.659 4.089 26.199 1.00 34.98 ? 408 ASN A O 1 ATOM 3256 C CB . ASN A 1 408 ? 27.231 5.969 23.857 1.00 34.69 ? 408 ASN A CB 1 ATOM 3257 C CG . ASN A 1 408 ? 28.629 6.498 23.976 1.00 41.42 ? 408 ASN A CG 1 ATOM 3258 O OD1 . ASN A 1 408 ? 29.424 6.024 24.805 1.00 40.02 ? 408 ASN A OD1 1 ATOM 3259 N ND2 . ASN A 1 408 ? 28.919 7.549 23.209 1.00 36.20 ? 408 ASN A ND2 1 ATOM 3260 N N . GLN A 1 409 ? 28.511 3.107 25.329 1.00 38.20 ? 409 GLN A N 1 ATOM 3261 C CA . GLN A 1 409 ? 28.845 2.469 26.582 1.00 36.20 ? 409 GLN A CA 1 ATOM 3262 C C . GLN A 1 409 ? 29.123 3.498 27.676 1.00 38.86 ? 409 GLN A C 1 ATOM 3263 O O . GLN A 1 409 ? 28.971 3.219 28.862 1.00 35.33 ? 409 GLN A O 1 ATOM 3264 C CB . GLN A 1 409 ? 30.032 1.545 26.413 1.00 38.29 ? 409 GLN A CB 1 ATOM 3265 C CG . GLN A 1 409 ? 29.743 0.249 25.641 1.00 38.11 ? 409 GLN A CG 1 ATOM 3266 C CD . GLN A 1 409 ? 31.034 -0.506 25.408 1.00 38.08 ? 409 GLN A CD 1 ATOM 3267 O OE1 . GLN A 1 409 ? 32.083 0.135 25.226 1.00 37.68 ? 409 GLN A OE1 1 ATOM 3268 N NE2 . GLN A 1 409 ? 30.993 -1.858 25.428 1.00 34.26 ? 409 GLN A NE2 1 ATOM 3269 N N . ASP A 1 410 ? 29.524 4.695 27.293 1.00 40.25 ? 410 ASP A N 1 ATOM 3270 C CA . ASP A 1 410 ? 29.774 5.749 28.300 1.00 41.68 ? 410 ASP A CA 1 ATOM 3271 C C . ASP A 1 410 ? 28.633 6.733 28.462 1.00 36.91 ? 410 ASP A C 1 ATOM 3272 O O . ASP A 1 410 ? 28.687 7.597 29.325 1.00 37.99 ? 410 ASP A O 1 ATOM 3273 C CB . ASP A 1 410 ? 31.068 6.501 27.935 1.00 47.21 ? 410 ASP A CB 1 ATOM 3274 C CG . ASP A 1 410 ? 32.289 5.614 28.058 1.00 46.20 ? 410 ASP A CG 1 ATOM 3275 O OD1 . ASP A 1 410 ? 32.589 5.127 29.165 1.00 49.48 ? 410 ASP A OD1 1 ATOM 3276 O OD2 . ASP A 1 410 ? 32.939 5.377 27.051 1.00 48.76 ? 410 ASP A OD2 1 ATOM 3277 N N . LYS A 1 411 ? 27.618 6.662 27.603 1.00 37.80 ? 411 LYS A N 1 ATOM 3278 C CA . LYS A 1 411 ? 26.471 7.595 27.676 1.00 35.00 ? 411 LYS A CA 1 ATOM 3279 C C . LYS A 1 411 ? 25.210 6.846 27.296 1.00 34.16 ? 411 LYS A C 1 ATOM 3280 O O . LYS A 1 411 ? 24.716 6.975 26.204 1.00 31.55 ? 411 LYS A O 1 ATOM 3281 C CB . LYS A 1 411 ? 26.636 8.772 26.720 1.00 38.17 ? 411 LYS A CB 1 ATOM 3282 C CG . LYS A 1 411 ? 27.921 9.610 26.819 1.00 37.33 ? 411 LYS A CG 1 ATOM 3283 C CD . LYS A 1 411 ? 27.899 10.596 25.653 1.00 40.52 ? 411 LYS A CD 1 ATOM 3284 C CE . LYS A 1 411 ? 28.603 11.920 25.884 1.00 45.44 ? 411 LYS A CE 1 ATOM 3285 N NZ . LYS A 1 411 ? 29.991 11.628 26.247 1.00 50.36 ? 411 LYS A NZ 1 ATOM 3286 N N . MET A 1 412 ? 24.701 6.046 28.214 1.00 33.93 ? 412 MET A N 1 ATOM 3287 C CA . MET A 1 412 ? 23.660 5.107 27.901 1.00 33.71 ? 412 MET A CA 1 ATOM 3288 C C . MET A 1 412 ? 22.275 5.720 27.761 1.00 31.72 ? 412 MET A C 1 ATOM 3289 O O . MET A 1 412 ? 21.637 5.636 26.702 1.00 32.20 ? 412 MET A O 1 ATOM 3290 C CB . MET A 1 412 ? 23.688 4.000 28.966 1.00 35.35 ? 412 MET A CB 1 ATOM 3291 C CG . MET A 1 412 ? 24.968 3.193 28.956 1.00 34.85 ? 412 MET A CG 1 ATOM 3292 S SD . MET A 1 412 ? 24.746 1.692 29.931 1.00 35.44 ? 412 MET A SD 1 ATOM 3293 C CE . MET A 1 412 ? 26.142 0.753 29.398 1.00 36.97 ? 412 MET A CE 1 ATOM 3294 N N . VAL A 1 413 ? 21.774 6.308 28.839 1.00 31.20 ? 413 VAL A N 1 ATOM 3295 C CA . VAL A 1 413 ? 20.447 6.821 28.822 1.00 31.67 ? 413 VAL A CA 1 ATOM 3296 C C . VAL A 1 413 ? 20.448 8.290 29.265 1.00 36.95 ? 413 VAL A C 1 ATOM 3297 O O . VAL A 1 413 ? 20.943 8.619 30.340 1.00 31.82 ? 413 VAL A O 1 ATOM 3298 C CB . VAL A 1 413 ? 19.561 5.960 29.731 1.00 31.80 ? 413 VAL A CB 1 ATOM 3299 C CG1 . VAL A 1 413 ? 18.171 6.528 29.822 1.00 33.91 ? 413 VAL A CG1 1 ATOM 3300 C CG2 . VAL A 1 413 ? 19.495 4.483 29.257 1.00 29.20 ? 413 VAL A CG2 1 ATOM 3301 N N . THR A 1 414 ? 19.917 9.162 28.408 1.00 40.04 ? 414 THR A N 1 ATOM 3302 C CA . THR A 1 414 ? 19.770 10.599 28.709 1.00 36.69 ? 414 THR A CA 1 ATOM 3303 C C . THR A 1 414 ? 19.021 10.846 30.011 1.00 31.69 ? 414 THR A C 1 ATOM 3304 O O . THR A 1 414 ? 18.064 10.145 30.331 1.00 26.97 ? 414 THR A O 1 ATOM 3305 C CB . THR A 1 414 ? 19.017 11.331 27.560 1.00 37.17 ? 414 THR A CB 1 ATOM 3306 O OG1 . THR A 1 414 ? 18.916 12.723 27.862 1.00 39.16 ? 414 THR A OG1 1 ATOM 3307 C CG2 . THR A 1 414 ? 17.642 10.739 27.320 1.00 38.72 ? 414 THR A CG2 1 ATOM 3308 N N . SER A 1 415 ? 19.464 11.866 30.748 1.00 35.25 ? 415 SER A N 1 ATOM 3309 C CA . SER A 1 415 ? 18.912 12.186 32.058 1.00 34.20 ? 415 SER A CA 1 ATOM 3310 C C . SER A 1 415 ? 17.493 12.598 31.929 1.00 32.43 ? 415 SER A C 1 ATOM 3311 O O . SER A 1 415 ? 16.736 12.529 32.882 1.00 32.60 ? 415 SER A O 1 ATOM 3312 C CB . SER A 1 415 ? 19.730 13.271 32.769 1.00 35.46 ? 415 SER A CB 1 ATOM 3313 O OG . SER A 1 415 ? 20.975 12.758 33.187 1.00 41.81 ? 415 SER A OG 1 ATOM 3314 N N . GLU A 1 416 ? 17.091 13.009 30.736 1.00 32.83 ? 416 GLU A N 1 ATOM 3315 C CA . GLU A 1 416 ? 15.664 13.258 30.500 1.00 33.63 ? 416 GLU A CA 1 ATOM 3316 C C . GLU A 1 416 ? 14.814 12.053 30.922 1.00 34.34 ? 416 GLU A C 1 ATOM 3317 O O . GLU A 1 416 ? 13.716 12.219 31.496 1.00 34.87 ? 416 GLU A O 1 ATOM 3318 C CB . GLU A 1 416 ? 15.392 13.662 29.035 1.00 32.46 ? 416 GLU A CB 1 ATOM 3319 C CG . GLU A 1 416 ? 16.062 14.976 28.599 1.00 33.39 ? 416 GLU A CG 1 ATOM 3320 C CD . GLU A 1 416 ? 15.549 16.184 29.384 1.00 33.28 ? 416 GLU A CD 1 ATOM 3321 O OE1 . GLU A 1 416 ? 14.318 16.444 29.402 1.00 34.13 ? 416 GLU A OE1 1 ATOM 3322 O OE2 . GLU A 1 416 ? 16.372 16.834 30.018 1.00 38.22 ? 416 GLU A OE2 1 ATOM 3323 N N . LEU A 1 417 ? 15.331 10.842 30.656 1.00 34.42 ? 417 LEU A N 1 ATOM 3324 C CA . LEU A 1 417 ? 14.671 9.587 31.093 1.00 32.78 ? 417 LEU A CA 1 ATOM 3325 C C . LEU A 1 417 ? 15.243 9.002 32.374 1.00 35.29 ? 417 LEU A C 1 ATOM 3326 O O . LEU A 1 417 ? 14.521 8.359 33.128 1.00 33.66 ? 417 LEU A O 1 ATOM 3327 C CB . LEU A 1 417 ? 14.732 8.515 30.009 1.00 32.34 ? 417 LEU A CB 1 ATOM 3328 C CG . LEU A 1 417 ? 14.042 8.754 28.695 1.00 29.77 ? 417 LEU A CG 1 ATOM 3329 C CD1 . LEU A 1 417 ? 14.467 7.710 27.677 1.00 34.22 ? 417 LEU A CD1 1 ATOM 3330 C CD2 . LEU A 1 417 ? 12.531 8.672 28.835 1.00 33.98 ? 417 LEU A CD2 1 ATOM 3331 N N . ARG A 1 418 ? 16.536 9.250 32.626 1.00 39.07 ? 418 ARG A N 1 ATOM 3332 C CA . ARG A 1 418 ? 17.209 8.664 33.748 1.00 39.06 ? 418 ARG A CA 1 ATOM 3333 C C . ARG A 1 418 ? 16.930 9.421 35.052 1.00 38.83 ? 418 ARG A C 1 ATOM 3334 O O . ARG A 1 418 ? 17.021 8.819 36.095 1.00 30.22 ? 418 ARG A O 1 ATOM 3335 C CB . ARG A 1 418 ? 18.720 8.548 33.526 1.00 38.89 ? 418 ARG A CB 1 ATOM 3336 C CG . ARG A 1 418 ? 19.322 7.323 34.211 1.00 35.72 ? 418 ARG A CG 1 ATOM 3337 C CD . ARG A 1 418 ? 20.853 7.298 34.188 1.00 36.80 ? 418 ARG A CD 1 ATOM 3338 N NE . ARG A 1 418 ? 21.380 8.481 34.870 1.00 33.60 ? 418 ARG A NE 1 ATOM 3339 C CZ . ARG A 1 418 ? 21.506 8.626 36.190 1.00 40.79 ? 418 ARG A CZ 1 ATOM 3340 N NH1 . ARG A 1 418 ? 21.228 7.651 37.047 1.00 40.35 ? 418 ARG A NH1 1 ATOM 3341 N NH2 . ARG A 1 418 ? 21.950 9.763 36.678 1.00 43.49 ? 418 ARG A NH2 1 ATOM 3342 N N . ASN A 1 419 ? 16.584 10.705 34.961 1.00 40.79 ? 419 ASN A N 1 ATOM 3343 C CA . ASN A 1 419 ? 16.260 11.526 36.148 1.00 40.20 ? 419 ASN A CA 1 ATOM 3344 C C . ASN A 1 419 ? 14.964 12.228 36.067 1.00 38.30 ? 419 ASN A C 1 ATOM 3345 O O . ASN A 1 419 ? 14.402 12.643 37.109 1.00 40.26 ? 419 ASN A O 1 ATOM 3346 C CB . ASN A 1 419 ? 17.323 12.619 36.395 1.00 38.90 ? 419 ASN A CB 1 ATOM 3347 C CG . ASN A 1 419 ? 18.579 12.074 36.959 1.00 36.40 ? 419 ASN A CG 1 ATOM 3348 O OD1 . ASN A 1 419 ? 18.545 11.238 37.875 1.00 38.32 ? 419 ASN A OD1 1 ATOM 3349 N ND2 . ASN A 1 419 ? 19.710 12.471 36.386 1.00 37.45 ? 419 ASN A ND2 1 ATOM 3350 N N . LYS A 1 420 ? 14.442 12.406 34.869 1.00 38.20 ? 420 LYS A N 1 ATOM 3351 C CA . LYS A 1 420 ? 13.277 13.275 34.763 1.00 34.29 ? 420 LYS A CA 1 ATOM 3352 C C . LYS A 1 420 ? 12.002 12.589 34.326 1.00 36.81 ? 420 LYS A C 1 ATOM 3353 O O . LYS A 1 420 ? 11.046 13.252 34.017 1.00 41.44 ? 420 LYS A O 1 ATOM 3354 C CB . LYS A 1 420 ? 13.632 14.469 33.898 1.00 39.44 ? 420 LYS A CB 1 ATOM 3355 C CG . LYS A 1 420 ? 14.606 15.389 34.628 1.00 37.71 ? 420 LYS A CG 1 ATOM 3356 C CD . LYS A 1 420 ? 15.075 16.588 33.808 1.00 39.58 ? 420 LYS A CD 1 ATOM 3357 C CE . LYS A 1 420 ? 15.874 17.590 34.650 1.00 37.72 ? 420 LYS A CE 1 ATOM 3358 N NZ . LYS A 1 420 ? 16.482 18.577 33.691 1.00 38.76 ? 420 LYS A NZ 1 ATOM 3359 N N . LEU A 1 421 ? 11.974 11.253 34.307 1.00 37.88 ? 421 LEU A N 1 ATOM 3360 C CA . LEU A 1 421 ? 10.802 10.538 33.774 1.00 35.81 ? 421 LEU A CA 1 ATOM 3361 C C . LEU A 1 421 ? 9.578 10.958 34.534 1.00 35.99 ? 421 LEU A C 1 ATOM 3362 O O . LEU A 1 421 ? 9.646 11.216 35.750 1.00 40.64 ? 421 LEU A O 1 ATOM 3363 C CB . LEU A 1 421 ? 10.958 9.010 33.866 1.00 34.52 ? 421 LEU A CB 1 ATOM 3364 C CG . LEU A 1 421 ? 9.730 8.233 33.394 1.00 35.30 ? 421 LEU A CG 1 ATOM 3365 C CD1 . LEU A 1 421 ? 9.537 8.546 31.907 1.00 35.49 ? 421 LEU A CD1 1 ATOM 3366 C CD2 . LEU A 1 421 ? 9.760 6.747 33.678 1.00 35.12 ? 421 LEU A CD2 1 ATOM 3367 N N . PHE A 1 422 ? 8.462 11.091 33.837 1.00 40.40 ? 422 PHE A N 1 ATOM 3368 C CA . PHE A 1 422 ? 7.211 11.381 34.553 1.00 45.54 ? 422 PHE A CA 1 ATOM 3369 C C . PHE A 1 422 ? 6.312 10.137 34.528 1.00 43.27 ? 422 PHE A C 1 ATOM 3370 O O . PHE A 1 422 ? 6.070 9.562 33.483 1.00 40.52 ? 422 PHE A O 1 ATOM 3371 C CB . PHE A 1 422 ? 6.478 12.593 33.967 1.00 41.26 ? 422 PHE A CB 1 ATOM 3372 C CG . PHE A 1 422 ? 5.145 12.835 34.596 1.00 44.90 ? 422 PHE A CG 1 ATOM 3373 C CD1 . PHE A 1 422 ? 5.013 13.689 35.697 1.00 49.94 ? 422 PHE A CD1 1 ATOM 3374 C CD2 . PHE A 1 422 ? 4.020 12.215 34.115 1.00 48.72 ? 422 PHE A CD2 1 ATOM 3375 C CE1 . PHE A 1 422 ? 3.782 13.889 36.288 1.00 45.72 ? 422 PHE A CE1 1 ATOM 3376 C CE2 . PHE A 1 422 ? 2.783 12.413 34.714 1.00 48.84 ? 422 PHE A CE2 1 ATOM 3377 C CZ . PHE A 1 422 ? 2.671 13.263 35.784 1.00 50.36 ? 422 PHE A CZ 1 ATOM 3378 N N . GLN A 1 423 ? 5.808 9.757 35.689 1.00 42.94 ? 423 GLN A N 1 ATOM 3379 C CA . GLN A 1 423 ? 4.989 8.562 35.788 1.00 51.22 ? 423 GLN A CA 1 ATOM 3380 C C . GLN A 1 423 ? 3.647 9.234 35.785 1.00 50.91 ? 423 GLN A C 1 ATOM 3381 O O . GLN A 1 423 ? 3.568 10.422 36.144 1.00 46.19 ? 423 GLN A O 1 ATOM 3382 C CB . GLN A 1 423 ? 5.636 7.583 36.747 1.00 54.69 ? 423 GLN A CB 1 ATOM 3383 C CG . GLN A 1 423 ? 6.922 7.000 36.154 1.00 54.79 ? 423 GLN A CG 1 ATOM 3384 C CD . GLN A 1 423 ? 6.770 5.552 35.749 1.00 49.72 ? 423 GLN A CD 1 ATOM 3385 O OE1 . GLN A 1 423 ? 6.938 4.670 36.567 1.00 49.15 ? 423 GLN A OE1 1 ATOM 3386 N NE2 . GLN A 1 423 ? 6.450 5.314 34.510 1.00 48.04 ? 423 GLN A NE2 1 ATOM 3387 N N . PRO A 1 424 ? 2.591 8.539 35.513 1.00 54.65 ? 424 PRO A N 1 ATOM 3388 C CA . PRO A 1 424 ? 1.247 9.099 35.420 1.00 62.61 ? 424 PRO A CA 1 ATOM 3389 C C . PRO A 1 424 ? 0.387 9.024 36.672 1.00 65.65 ? 424 PRO A C 1 ATOM 3390 O O . PRO A 1 424 ? -0.690 9.600 36.678 1.00 78.44 ? 424 PRO A O 1 ATOM 3391 C CB . PRO A 1 424 ? 0.610 8.505 34.144 1.00 60.30 ? 424 PRO A CB 1 ATOM 3392 C CG . PRO A 1 424 ? 1.406 7.299 33.840 1.00 61.51 ? 424 PRO A CG 1 ATOM 3393 C CD . PRO A 1 424 ? 2.798 7.652 34.252 1.00 59.97 ? 424 PRO A CD 1 ATOM 3394 N N . THR A 1 425 ? 0.921 8.414 37.724 1.00 65.81 ? 425 THR A N 1 ATOM 3395 C CA . THR A 1 425 ? 0.299 8.444 39.036 1.00 77.11 ? 425 THR A CA 1 ATOM 3396 C C . THR A 1 425 ? 1.251 9.024 40.086 1.00 71.99 ? 425 THR A C 1 ATOM 3397 O O . THR A 1 425 ? 1.078 8.779 41.279 1.00 69.82 ? 425 THR A O 1 ATOM 3398 C CB . THR A 1 425 ? -0.147 7.039 39.482 1.00 77.34 ? 425 THR A CB 1 ATOM 3399 O OG1 . THR A 1 425 ? -0.869 6.404 38.419 1.00 88.11 ? 425 THR A OG1 1 ATOM 3400 C CG2 . THR A 1 425 ? -1.038 7.129 40.712 1.00 80.14 ? 425 THR A CG2 1 ATOM 3401 N N . HIS A 1 426 ? 2.253 9.790 39.651 1.00 74.18 ? 426 HIS A N 1 ATOM 3402 C CA . HIS A 1 426 ? 3.180 10.359 40.583 1.00 76.76 ? 426 HIS A CA 1 ATOM 3403 C C . HIS A 1 426 ? 3.582 11.712 40.042 1.00 80.11 ? 426 HIS A C 1 ATOM 3404 O O . HIS A 1 426 ? 3.898 11.860 38.847 1.00 103.31 ? 426 HIS A O 1 ATOM 3405 C CB . HIS A 1 426 ? 4.360 9.413 40.720 1.00 75.64 ? 426 HIS A CB 1 ATOM 3406 C CG . HIS A 1 426 ? 3.956 8.001 41.009 1.00 73.14 ? 426 HIS A CG 1 ATOM 3407 N ND1 . HIS A 1 426 ? 3.427 7.610 42.220 1.00 74.02 ? 426 HIS A ND1 1 ATOM 3408 C CD2 . HIS A 1 426 ? 3.979 6.894 40.233 1.00 66.65 ? 426 HIS A CD2 1 ATOM 3409 C CE1 . HIS A 1 426 ? 3.165 6.317 42.186 1.00 73.30 ? 426 HIS A CE1 1 ATOM 3410 N NE2 . HIS A 1 426 ? 3.486 5.861 40.989 1.00 71.51 ? 426 HIS A NE2 1 ATOM 3411 N N . LYS A 1 427 ? 3.598 12.689 40.934 1.00 71.13 ? 427 LYS A N 1 ATOM 3412 C CA . LYS A 1 427 ? 3.367 14.062 40.534 1.00 68.77 ? 427 LYS A CA 1 ATOM 3413 C C . LYS A 1 427 ? 4.591 14.759 39.917 1.00 59.87 ? 427 LYS A C 1 ATOM 3414 O O . LYS A 1 427 ? 4.472 15.860 39.396 1.00 63.26 ? 427 LYS A O 1 ATOM 3415 C CB . LYS A 1 427 ? 2.816 14.837 41.724 1.00 64.24 ? 427 LYS A CB 1 ATOM 3416 C CG . LYS A 1 427 ? 1.447 14.340 42.172 1.00 71.36 ? 427 LYS A CG 1 ATOM 3417 C CD . LYS A 1 427 ? 0.905 15.152 43.347 1.00 76.99 ? 427 LYS A CD 1 ATOM 3418 C CE . LYS A 1 427 ? 1.284 14.536 44.688 1.00 76.09 ? 427 LYS A CE 1 ATOM 3419 N NZ . LYS A 1 427 ? 0.317 13.465 45.055 1.00 75.91 ? 427 LYS A NZ 1 ATOM 3420 N N . ILE A 1 428 ? 5.740 14.099 39.926 1.00 52.19 ? 428 ILE A N 1 ATOM 3421 C CA . ILE A 1 428 ? 6.990 14.757 39.565 1.00 52.54 ? 428 ILE A CA 1 ATOM 3422 C C . ILE A 1 428 ? 7.590 14.287 38.232 1.00 49.50 ? 428 ILE A C 1 ATOM 3423 O O . ILE A 1 428 ? 7.318 13.194 37.755 1.00 53.41 ? 428 ILE A O 1 ATOM 3424 C CB . ILE A 1 428 ? 8.025 14.621 40.705 1.00 55.31 ? 428 ILE A CB 1 ATOM 3425 C CG1 . ILE A 1 428 ? 8.315 13.160 41.042 1.00 49.67 ? 428 ILE A CG1 1 ATOM 3426 C CG2 . ILE A 1 428 ? 7.528 15.337 41.972 1.00 55.94 ? 428 ILE A CG2 1 ATOM 3427 C CD1 . ILE A 1 428 ? 9.358 13.016 42.115 1.00 49.69 ? 428 ILE A CD1 1 ATOM 3428 N N . HIS A 1 429 ? 8.382 15.152 37.622 1.00 46.78 ? 429 HIS A N 1 ATOM 3429 C CA . HIS A 1 429 ? 9.370 14.721 36.630 1.00 47.19 ? 429 HIS A CA 1 ATOM 3430 C C . HIS A 1 429 ? 10.624 14.324 37.347 1.00 45.19 ? 429 HIS A C 1 ATOM 3431 O O . HIS A 1 429 ? 11.630 15.009 37.289 1.00 45.31 ? 429 HIS A O 1 ATOM 3432 C CB . HIS A 1 429 ? 9.633 15.820 35.653 1.00 47.66 ? 429 HIS A CB 1 ATOM 3433 C CG . HIS A 1 429 ? 8.487 16.039 34.751 1.00 45.10 ? 429 HIS A CG 1 ATOM 3434 N ND1 . HIS A 1 429 ? 7.293 16.548 35.198 1.00 48.70 ? 429 HIS A ND1 1 ATOM 3435 C CD2 . HIS A 1 429 ? 8.302 15.721 33.454 1.00 45.82 ? 429 HIS A CD2 1 ATOM 3436 C CE1 . HIS A 1 429 ? 6.436 16.601 34.192 1.00 47.43 ? 429 HIS A CE1 1 ATOM 3437 N NE2 . HIS A 1 429 ? 7.023 16.104 33.119 1.00 46.28 ? 429 HIS A NE2 1 ATOM 3438 N N . GLY A 1 430 ? 10.544 13.185 38.024 1.00 42.98 ? 430 GLY A N 1 ATOM 3439 C CA . GLY A 1 430 ? 11.603 12.755 38.911 1.00 43.59 ? 430 GLY A CA 1 ATOM 3440 C C . GLY A 1 430 ? 12.012 11.297 38.892 1.00 41.54 ? 430 GLY A C 1 ATOM 3441 O O . GLY A 1 430 ? 12.849 10.918 39.686 1.00 37.35 ? 430 GLY A O 1 ATOM 3442 N N . PHE A 1 431 ? 11.500 10.507 37.957 1.00 42.19 ? 431 PHE A N 1 ATOM 3443 C CA . PHE A 1 431 ? 11.812 9.073 37.914 1.00 40.61 ? 431 PHE A CA 1 ATOM 3444 C C . PHE A 1 431 ? 12.951 8.697 36.940 1.00 41.96 ? 431 PHE A C 1 ATOM 3445 O O . PHE A 1 431 ? 13.422 9.524 36.141 1.00 37.98 ? 431 PHE A O 1 ATOM 3446 C CB . PHE A 1 431 ? 10.560 8.317 37.522 1.00 41.68 ? 431 PHE A CB 1 ATOM 3447 C CG . PHE A 1 431 ? 9.512 8.291 38.576 1.00 45.41 ? 431 PHE A CG 1 ATOM 3448 C CD1 . PHE A 1 431 ? 8.788 9.423 38.882 1.00 52.10 ? 431 PHE A CD1 1 ATOM 3449 C CD2 . PHE A 1 431 ? 9.226 7.103 39.252 1.00 49.36 ? 431 PHE A CD2 1 ATOM 3450 C CE1 . PHE A 1 431 ? 7.794 9.392 39.848 1.00 58.28 ? 431 PHE A CE1 1 ATOM 3451 C CE2 . PHE A 1 431 ? 8.240 7.061 40.221 1.00 56.50 ? 431 PHE A CE2 1 ATOM 3452 C CZ . PHE A 1 431 ? 7.520 8.208 40.524 1.00 56.09 ? 431 PHE A CZ 1 ATOM 3453 N N . ASP A 1 432 ? 13.361 7.426 37.041 1.00 36.17 ? 432 ASP A N 1 ATOM 3454 C CA . ASP A 1 432 ? 14.511 6.903 36.380 1.00 36.31 ? 432 ASP A CA 1 ATOM 3455 C C . ASP A 1 432 ? 14.128 5.617 35.561 1.00 37.17 ? 432 ASP A C 1 ATOM 3456 O O . ASP A 1 432 ? 13.973 4.535 36.088 1.00 35.97 ? 432 ASP A O 1 ATOM 3457 C CB . ASP A 1 432 ? 15.590 6.588 37.416 1.00 32.61 ? 432 ASP A CB 1 ATOM 3458 C CG . ASP A 1 432 ? 16.826 5.946 36.790 1.00 35.68 ? 432 ASP A CG 1 ATOM 3459 O OD1 . ASP A 1 432 ? 16.730 5.493 35.614 1.00 30.11 ? 432 ASP A OD1 1 ATOM 3460 O OD2 . ASP A 1 432 ? 17.875 5.877 37.466 1.00 35.94 ? 432 ASP A OD2 1 ATOM 3461 N N . LEU A 1 433 ? 13.934 5.747 34.277 1.00 37.53 ? 433 LEU A N 1 ATOM 3462 C CA . LEU A 1 433 ? 13.565 4.541 33.458 1.00 34.67 ? 433 LEU A CA 1 ATOM 3463 C C . LEU A 1 433 ? 14.558 3.346 33.510 1.00 33.90 ? 433 LEU A C 1 ATOM 3464 O O . LEU A 1 433 ? 14.168 2.182 33.398 1.00 28.69 ? 433 LEU A O 1 ATOM 3465 C CB . LEU A 1 433 ? 13.404 4.959 32.028 1.00 33.22 ? 433 LEU A CB 1 ATOM 3466 C CG . LEU A 1 433 ? 12.802 3.914 31.062 1.00 33.94 ? 433 LEU A CG 1 ATOM 3467 C CD1 . LEU A 1 433 ? 11.449 3.455 31.536 1.00 32.47 ? 433 LEU A CD1 1 ATOM 3468 C CD2 . LEU A 1 433 ? 12.726 4.545 29.667 1.00 30.64 ? 433 LEU A CD2 1 ATOM 3469 N N . ALA A 1 434 ? 15.829 3.670 33.678 1.00 29.01 ? 434 ALA A N 1 ATOM 3470 C CA . ALA A 1 434 ? 16.873 2.712 33.780 1.00 30.08 ? 434 ALA A CA 1 ATOM 3471 C C . ALA A 1 434 ? 16.771 1.905 35.055 1.00 30.13 ? 434 ALA A C 1 ATOM 3472 O O . ALA A 1 434 ? 16.666 0.667 34.993 1.00 27.96 ? 434 ALA A O 1 ATOM 3473 C CB . ALA A 1 434 ? 18.228 3.404 33.690 1.00 27.59 ? 434 ALA A CB 1 ATOM 3474 N N . ALA A 1 435 ? 16.757 2.594 36.190 1.00 29.18 ? 435 ALA A N 1 ATOM 3475 C CA . ALA A 1 435 ? 16.395 1.978 37.495 1.00 31.84 ? 435 ALA A CA 1 ATOM 3476 C C . ALA A 1 435 ? 15.178 1.120 37.381 1.00 31.85 ? 435 ALA A C 1 ATOM 3477 O O . ALA A 1 435 ? 15.217 -0.055 37.679 1.00 37.37 ? 435 ALA A O 1 ATOM 3478 C CB . ALA A 1 435 ? 16.155 3.021 38.583 1.00 30.75 ? 435 ALA A CB 1 ATOM 3479 N N . ILE A 1 436 ? 14.105 1.709 36.921 1.00 33.80 ? 436 ILE A N 1 ATOM 3480 C CA . ILE A 1 436 ? 12.863 0.967 36.736 1.00 33.36 ? 436 ILE A CA 1 ATOM 3481 C C . ILE A 1 436 ? 13.072 -0.313 35.936 1.00 36.94 ? 436 ILE A C 1 ATOM 3482 O O . ILE A 1 436 ? 12.549 -1.385 36.347 1.00 34.46 ? 436 ILE A O 1 ATOM 3483 C CB . ILE A 1 436 ? 11.805 1.854 36.076 1.00 35.13 ? 436 ILE A CB 1 ATOM 3484 C CG1 . ILE A 1 436 ? 11.357 2.894 37.119 1.00 36.10 ? 436 ILE A CG1 1 ATOM 3485 C CG2 . ILE A 1 436 ? 10.597 1.048 35.554 1.00 36.27 ? 436 ILE A CG2 1 ATOM 3486 C CD1 . ILE A 1 436 ? 10.603 4.058 36.498 1.00 32.30 ? 436 ILE A CD1 1 ATOM 3487 N N . ASN A 1 437 ? 13.840 -0.233 34.829 1.00 33.07 ? 437 ASN A N 1 ATOM 3488 C CA . ASN A 1 437 ? 14.006 -1.394 33.964 1.00 29.84 ? 437 ASN A CA 1 ATOM 3489 C C . ASN A 1 437 ? 14.756 -2.505 34.748 1.00 33.64 ? 437 ASN A C 1 ATOM 3490 O O . ASN A 1 437 ? 14.441 -3.716 34.623 1.00 35.67 ? 437 ASN A O 1 ATOM 3491 C CB . ASN A 1 437 ? 14.849 -1.077 32.741 1.00 29.17 ? 437 ASN A CB 1 ATOM 3492 C CG . ASN A 1 437 ? 14.130 -0.249 31.690 1.00 27.50 ? 437 ASN A CG 1 ATOM 3493 O OD1 . ASN A 1 437 ? 12.906 -0.222 31.559 1.00 26.46 ? 437 ASN A OD1 1 ATOM 3494 N ND2 . ASN A 1 437 ? 14.923 0.332 30.867 1.00 27.08 ? 437 ASN A ND2 1 ATOM 3495 N N . LEU A 1 438 ? 15.776 -2.118 35.500 1.00 30.80 ? 438 LEU A N 1 ATOM 3496 C CA . LEU A 1 438 ? 16.519 -3.080 36.322 1.00 33.27 ? 438 LEU A CA 1 ATOM 3497 C C . LEU A 1 438 ? 15.647 -3.749 37.376 1.00 35.77 ? 438 LEU A C 1 ATOM 3498 O O . LEU A 1 438 ? 15.717 -4.948 37.589 1.00 32.91 ? 438 LEU A O 1 ATOM 3499 C CB . LEU A 1 438 ? 17.717 -2.380 36.961 1.00 34.35 ? 438 LEU A CB 1 ATOM 3500 C CG . LEU A 1 438 ? 18.732 -2.056 35.870 1.00 32.32 ? 438 LEU A CG 1 ATOM 3501 C CD1 . LEU A 1 438 ? 19.868 -1.226 36.391 1.00 32.29 ? 438 LEU A CD1 1 ATOM 3502 C CD2 . LEU A 1 438 ? 19.260 -3.315 35.231 1.00 33.60 ? 438 LEU A CD2 1 ATOM 3503 N N . GLN A 1 439 ? 14.803 -2.959 38.013 1.00 35.00 ? 439 GLN A N 1 ATOM 3504 C CA . GLN A 1 439 ? 13.937 -3.438 39.054 1.00 32.51 ? 439 GLN A CA 1 ATOM 3505 C C . GLN A 1 439 ? 12.910 -4.436 38.480 1.00 33.22 ? 439 GLN A C 1 ATOM 3506 O O . GLN A 1 439 ? 12.656 -5.517 39.051 1.00 33.84 ? 439 GLN A O 1 ATOM 3507 C CB . GLN A 1 439 ? 13.253 -2.218 39.697 1.00 31.90 ? 439 GLN A CB 1 ATOM 3508 C CG . GLN A 1 439 ? 12.575 -2.523 41.009 1.00 33.62 ? 439 GLN A CG 1 ATOM 3509 C CD . GLN A 1 439 ? 13.530 -2.473 42.173 1.00 37.81 ? 439 GLN A CD 1 ATOM 3510 O OE1 . GLN A 1 439 ? 14.724 -2.644 42.011 1.00 38.14 ? 439 GLN A OE1 1 ATOM 3511 N NE2 . GLN A 1 439 ? 12.992 -2.228 43.367 1.00 35.51 ? 439 GLN A NE2 1 ATOM 3512 N N . ARG A 1 440 ? 12.413 -4.102 37.309 1.00 29.21 ? 440 ARG A N 1 ATOM 3513 C CA . ARG A 1 440 ? 11.441 -4.869 36.570 1.00 31.44 ? 440 ARG A CA 1 ATOM 3514 C C . ARG A 1 440 ? 12.005 -6.214 36.112 1.00 33.41 ? 440 ARG A C 1 ATOM 3515 O O . ARG A 1 440 ? 11.274 -7.172 36.075 1.00 32.80 ? 440 ARG A O 1 ATOM 3516 C CB . ARG A 1 440 ? 10.966 -4.056 35.333 1.00 32.00 ? 440 ARG A CB 1 ATOM 3517 C CG . ARG A 1 440 ? 9.704 -4.550 34.633 1.00 31.84 ? 440 ARG A CG 1 ATOM 3518 C CD . ARG A 1 440 ? 8.469 -4.504 35.546 1.00 34.14 ? 440 ARG A CD 1 ATOM 3519 N NE . ARG A 1 440 ? 7.908 -3.173 35.659 1.00 34.93 ? 440 ARG A NE 1 ATOM 3520 C CZ . ARG A 1 440 ? 7.065 -2.775 36.600 1.00 38.18 ? 440 ARG A CZ 1 ATOM 3521 N NH1 . ARG A 1 440 ? 6.655 -3.611 37.561 1.00 38.74 ? 440 ARG A NH1 1 ATOM 3522 N NH2 . ARG A 1 440 ? 6.649 -1.512 36.586 1.00 37.93 ? 440 ARG A NH2 1 ATOM 3523 N N . CYS A 1 441 ? 13.289 -6.238 35.731 1.00 32.97 ? 441 CYS A N 1 ATOM 3524 C CA . CYS A 1 441 ? 13.992 -7.463 35.385 1.00 34.90 ? 441 CYS A CA 1 ATOM 3525 C C . CYS A 1 441 ? 13.861 -8.416 36.542 1.00 33.52 ? 441 CYS A C 1 ATOM 3526 O O . CYS A 1 441 ? 13.630 -9.595 36.341 1.00 27.95 ? 441 CYS A O 1 ATOM 3527 C CB . CYS A 1 441 ? 15.491 -7.247 35.124 1.00 35.20 ? 441 CYS A CB 1 ATOM 3528 S SG . CYS A 1 441 ? 15.941 -6.673 33.465 1.00 40.24 ? 441 CYS A SG 1 ATOM 3529 N N . ARG A 1 442 ? 14.062 -7.885 37.749 1.00 33.49 ? 442 ARG A N 1 ATOM 3530 C CA . ARG A 1 442 ? 13.992 -8.669 38.969 1.00 30.20 ? 442 ARG A CA 1 ATOM 3531 C C . ARG A 1 442 ? 12.566 -9.022 39.304 1.00 28.80 ? 442 ARG A C 1 ATOM 3532 O O . ARG A 1 442 ? 12.268 -10.200 39.624 1.00 34.68 ? 442 ARG A O 1 ATOM 3533 C CB . ARG A 1 442 ? 14.692 -7.941 40.129 1.00 30.33 ? 442 ARG A CB 1 ATOM 3534 C CG . ARG A 1 442 ? 16.179 -7.707 39.880 1.00 28.74 ? 442 ARG A CG 1 ATOM 3535 C CD . ARG A 1 442 ? 16.775 -6.671 40.808 1.00 28.52 ? 442 ARG A CD 1 ATOM 3536 N NE . ARG A 1 442 ? 18.101 -6.300 40.350 1.00 32.72 ? 442 ARG A NE 1 ATOM 3537 C CZ . ARG A 1 442 ? 18.958 -5.564 41.038 1.00 33.87 ? 442 ARG A CZ 1 ATOM 3538 N NH1 . ARG A 1 442 ? 18.606 -5.125 42.225 1.00 34.50 ? 442 ARG A NH1 1 ATOM 3539 N NH2 . ARG A 1 442 ? 20.167 -5.275 40.545 1.00 33.03 ? 442 ARG A NH2 1 ATOM 3540 N N . ASP A 1 443 ? 11.678 -8.045 39.185 1.00 30.48 ? 443 ASP A N 1 ATOM 3541 C CA . ASP A 1 443 ? 10.234 -8.243 39.306 1.00 30.86 ? 443 ASP A CA 1 ATOM 3542 C C . ASP A 1 443 ? 9.777 -9.461 38.482 1.00 31.84 ? 443 ASP A C 1 ATOM 3543 O O . ASP A 1 443 ? 9.075 -10.365 38.967 1.00 32.52 ? 443 ASP A O 1 ATOM 3544 C CB . ASP A 1 443 ? 9.501 -6.967 38.853 1.00 30.00 ? 443 ASP A CB 1 ATOM 3545 C CG . ASP A 1 443 ? 7.988 -7.078 38.976 1.00 33.52 ? 443 ASP A CG 1 ATOM 3546 O OD1 . ASP A 1 443 ? 7.463 -7.981 39.680 1.00 37.25 ? 443 ASP A OD1 1 ATOM 3547 O OD2 . ASP A 1 443 ? 7.304 -6.247 38.371 1.00 34.49 ? 443 ASP A OD2 1 ATOM 3548 N N . HIS A 1 444 ? 10.259 -9.519 37.247 1.00 29.18 ? 444 HIS A N 1 ATOM 3549 C CA . HIS A 1 444 ? 9.844 -10.542 36.284 1.00 29.09 ? 444 HIS A CA 1 ATOM 3550 C C . HIS A 1 444 ? 10.564 -11.860 36.363 1.00 32.25 ? 444 HIS A C 1 ATOM 3551 O O . HIS A 1 444 ? 10.424 -12.731 35.493 1.00 30.70 ? 444 HIS A O 1 ATOM 3552 C CB . HIS A 1 444 ? 9.992 -9.984 34.887 1.00 31.80 ? 444 HIS A CB 1 ATOM 3553 C CG . HIS A 1 444 ? 8.869 -9.076 34.502 1.00 33.21 ? 444 HIS A CG 1 ATOM 3554 N ND1 . HIS A 1 444 ? 8.105 -9.270 33.370 1.00 36.14 ? 444 HIS A ND1 1 ATOM 3555 C CD2 . HIS A 1 444 ? 8.383 -7.968 35.096 1.00 32.47 ? 444 HIS A CD2 1 ATOM 3556 C CE1 . HIS A 1 444 ? 7.195 -8.324 33.286 1.00 33.06 ? 444 HIS A CE1 1 ATOM 3557 N NE2 . HIS A 1 444 ? 7.325 -7.537 34.337 1.00 35.27 ? 444 HIS A NE2 1 ATOM 3558 N N . GLY A 1 445 ? 11.391 -12.021 37.385 1.00 32.68 ? 445 GLY A N 1 ATOM 3559 C CA . GLY A 1 445 ? 12.173 -13.244 37.505 1.00 30.68 ? 445 GLY A CA 1 ATOM 3560 C C . GLY A 1 445 ? 13.189 -13.559 36.450 1.00 30.48 ? 445 GLY A C 1 ATOM 3561 O O . GLY A 1 445 ? 13.444 -14.758 36.119 1.00 32.42 ? 445 GLY A O 1 ATOM 3562 N N . MET A 1 446 ? 13.821 -12.543 35.904 1.00 29.72 ? 446 MET A N 1 ATOM 3563 C CA . MET A 1 446 ? 14.767 -12.783 34.824 1.00 29.92 ? 446 MET A CA 1 ATOM 3564 C C . MET A 1 446 ? 16.012 -13.539 35.250 1.00 33.12 ? 446 MET A C 1 ATOM 3565 O O . MET A 1 446 ? 16.679 -13.155 36.221 1.00 37.17 ? 446 MET A O 1 ATOM 3566 C CB . MET A 1 446 ? 15.233 -11.449 34.214 1.00 32.48 ? 446 MET A CB 1 ATOM 3567 C CG . MET A 1 446 ? 14.258 -10.835 33.233 1.00 27.45 ? 446 MET A CG 1 ATOM 3568 S SD . MET A 1 446 ? 14.060 -11.892 31.733 1.00 31.08 ? 446 MET A SD 1 ATOM 3569 C CE . MET A 1 446 ? 12.464 -12.544 32.196 1.00 27.19 ? 446 MET A CE 1 ATOM 3570 N N . PRO A 1 447 ? 16.394 -14.580 34.479 1.00 31.44 ? 447 PRO A N 1 ATOM 3571 C CA . PRO A 1 447 ? 17.756 -15.083 34.658 1.00 33.18 ? 447 PRO A CA 1 ATOM 3572 C C . PRO A 1 447 ? 18.806 -14.052 34.307 1.00 34.81 ? 447 PRO A C 1 ATOM 3573 O O . PRO A 1 447 ? 18.591 -13.132 33.500 1.00 31.12 ? 447 PRO A O 1 ATOM 3574 C CB . PRO A 1 447 ? 17.841 -16.240 33.669 1.00 32.87 ? 447 PRO A CB 1 ATOM 3575 C CG . PRO A 1 447 ? 16.440 -16.675 33.512 1.00 32.21 ? 447 PRO A CG 1 ATOM 3576 C CD . PRO A 1 447 ? 15.680 -15.374 33.484 1.00 29.59 ? 447 PRO A CD 1 ATOM 3577 N N . GLY A 1 448 ? 19.948 -14.198 34.932 1.00 37.58 ? 448 GLY A N 1 ATOM 3578 C CA . GLY A 1 448 ? 21.002 -13.226 34.739 1.00 38.24 ? 448 GLY A CA 1 ATOM 3579 C C . GLY A 1 448 ? 21.655 -13.303 33.393 1.00 32.56 ? 448 GLY A C 1 ATOM 3580 O O . GLY A 1 448 ? 21.299 -14.108 32.537 1.00 34.04 ? 448 GLY A O 1 ATOM 3581 N N . TYR A 1 449 ? 22.665 -12.446 33.234 1.00 33.63 ? 449 TYR A N 1 ATOM 3582 C CA . TYR A 1 449 ? 23.325 -12.208 31.972 1.00 27.79 ? 449 TYR A CA 1 ATOM 3583 C C . TYR A 1 449 ? 23.870 -13.494 31.400 1.00 31.76 ? 449 TYR A C 1 ATOM 3584 O O . TYR A 1 449 ? 23.634 -13.783 30.251 1.00 32.08 ? 449 TYR A O 1 ATOM 3585 C CB . TYR A 1 449 ? 24.441 -11.184 32.167 1.00 30.19 ? 449 TYR A CB 1 ATOM 3586 C CG . TYR A 1 449 ? 25.331 -10.908 30.972 1.00 30.01 ? 449 TYR A CG 1 ATOM 3587 C CD1 . TYR A 1 449 ? 24.823 -10.251 29.841 1.00 29.97 ? 449 TYR A CD1 1 ATOM 3588 C CD2 . TYR A 1 449 ? 26.689 -11.187 31.002 1.00 31.70 ? 449 TYR A CD2 1 ATOM 3589 C CE1 . TYR A 1 449 ? 25.635 -9.931 28.773 1.00 32.29 ? 449 TYR A CE1 1 ATOM 3590 C CE2 . TYR A 1 449 ? 27.513 -10.878 29.906 1.00 33.69 ? 449 TYR A CE2 1 ATOM 3591 C CZ . TYR A 1 449 ? 26.975 -10.237 28.818 1.00 31.44 ? 449 TYR A CZ 1 ATOM 3592 O OH . TYR A 1 449 ? 27.719 -9.953 27.745 1.00 38.77 ? 449 TYR A OH 1 ATOM 3593 N N . ASN A 1 450 ? 24.622 -14.251 32.188 1.00 32.19 ? 450 ASN A N 1 ATOM 3594 C CA . ASN A 1 450 ? 25.349 -15.394 31.673 1.00 31.93 ? 450 ASN A CA 1 ATOM 3595 C C . ASN A 1 450 ? 24.437 -16.550 31.314 1.00 33.79 ? 450 ASN A C 1 ATOM 3596 O O . ASN A 1 450 ? 24.725 -17.302 30.377 1.00 33.66 ? 450 ASN A O 1 ATOM 3597 C CB . ASN A 1 450 ? 26.461 -15.817 32.666 1.00 36.55 ? 450 ASN A CB 1 ATOM 3598 C CG . ASN A 1 450 ? 27.804 -15.185 32.338 1.00 36.66 ? 450 ASN A CG 1 ATOM 3599 O OD1 . ASN A 1 450 ? 28.043 -14.744 31.203 1.00 40.21 ? 450 ASN A OD1 1 ATOM 3600 N ND2 . ASN A 1 450 ? 28.686 -15.159 33.302 1.00 37.07 ? 450 ASN A ND2 1 ATOM 3601 N N . SER A 1 451 ? 23.320 -16.679 32.028 1.00 34.60 ? 451 SER A N 1 ATOM 3602 C CA . SER A 1 451 ? 22.266 -17.564 31.581 1.00 33.59 ? 451 SER A CA 1 ATOM 3603 C C . SER A 1 451 ? 21.805 -17.229 30.159 1.00 32.02 ? 451 SER A C 1 ATOM 3604 O O . SER A 1 451 ? 21.515 -18.153 29.361 1.00 33.26 ? 451 SER A O 1 ATOM 3605 C CB . SER A 1 451 ? 21.067 -17.491 32.502 1.00 34.88 ? 451 SER A CB 1 ATOM 3606 O OG . SER A 1 451 ? 21.394 -17.829 33.850 1.00 32.80 ? 451 SER A OG 1 ATOM 3607 N N . TRP A 1 452 ? 21.688 -15.935 29.803 1.00 31.44 ? 452 TRP A N 1 ATOM 3608 C CA . TRP A 1 452 ? 21.221 -15.596 28.467 1.00 29.17 ? 452 TRP A CA 1 ATOM 3609 C C . TRP A 1 452 ? 22.382 -15.749 27.497 1.00 33.55 ? 452 TRP A C 1 ATOM 3610 O O . TRP A 1 452 ? 22.175 -16.162 26.338 1.00 26.50 ? 452 TRP A O 1 ATOM 3611 C CB . TRP A 1 452 ? 20.504 -14.243 28.321 1.00 33.22 ? 452 TRP A CB 1 ATOM 3612 C CG . TRP A 1 452 ? 19.202 -14.255 29.082 1.00 29.88 ? 452 TRP A CG 1 ATOM 3613 C CD1 . TRP A 1 452 ? 18.940 -13.630 30.257 1.00 30.29 ? 452 TRP A CD1 1 ATOM 3614 C CD2 . TRP A 1 452 ? 18.032 -14.946 28.715 1.00 29.58 ? 452 TRP A CD2 1 ATOM 3615 N NE1 . TRP A 1 452 ? 17.685 -13.931 30.683 1.00 32.01 ? 452 TRP A NE1 1 ATOM 3616 C CE2 . TRP A 1 452 ? 17.114 -14.774 29.752 1.00 33.48 ? 452 TRP A CE2 1 ATOM 3617 C CE3 . TRP A 1 452 ? 17.697 -15.785 27.638 1.00 32.63 ? 452 TRP A CE3 1 ATOM 3618 C CZ2 . TRP A 1 452 ? 15.851 -15.370 29.723 1.00 33.89 ? 452 TRP A CZ2 1 ATOM 3619 C CZ3 . TRP A 1 452 ? 16.485 -16.348 27.596 1.00 29.69 ? 452 TRP A CZ3 1 ATOM 3620 C CH2 . TRP A 1 452 ? 15.545 -16.131 28.627 1.00 36.73 ? 452 TRP A CH2 1 ATOM 3621 N N . ARG A 1 453 ? 23.602 -15.452 27.944 1.00 28.29 ? 453 ARG A N 1 ATOM 3622 C CA . ARG A 1 453 ? 24.706 -15.685 27.050 1.00 31.02 ? 453 ARG A CA 1 ATOM 3623 C C . ARG A 1 453 ? 24.633 -17.167 26.617 1.00 31.05 ? 453 ARG A C 1 ATOM 3624 O O . ARG A 1 453 ? 24.643 -17.489 25.411 1.00 34.27 ? 453 ARG A O 1 ATOM 3625 C CB . ARG A 1 453 ? 26.031 -15.350 27.709 1.00 28.74 ? 453 ARG A CB 1 ATOM 3626 C CG . ARG A 1 453 ? 26.251 -13.852 27.991 1.00 31.14 ? 453 ARG A CG 1 ATOM 3627 C CD . ARG A 1 453 ? 26.628 -13.091 26.745 1.00 31.19 ? 453 ARG A CD 1 ATOM 3628 N NE . ARG A 1 453 ? 27.946 -13.449 26.255 1.00 34.01 ? 453 ARG A NE 1 ATOM 3629 C CZ . ARG A 1 453 ? 28.519 -12.906 25.178 1.00 36.87 ? 453 ARG A CZ 1 ATOM 3630 N NH1 . ARG A 1 453 ? 27.937 -11.924 24.506 1.00 37.27 ? 453 ARG A NH1 1 ATOM 3631 N NH2 . ARG A 1 453 ? 29.688 -13.327 24.776 1.00 34.34 ? 453 ARG A NH2 1 ATOM 3632 N N . GLY A 1 454 ? 24.563 -18.043 27.621 1.00 33.01 ? 454 GLY A N 1 ATOM 3633 C CA . GLY A 1 454 ? 24.545 -19.469 27.399 1.00 28.84 ? 454 GLY A CA 1 ATOM 3634 C C . GLY A 1 454 ? 23.388 -19.901 26.514 1.00 31.22 ? 454 GLY A C 1 ATOM 3635 O O . GLY A 1 454 ? 23.593 -20.663 25.576 1.00 29.43 ? 454 GLY A O 1 ATOM 3636 N N . PHE A 1 455 ? 22.186 -19.377 26.768 1.00 30.28 ? 455 PHE A N 1 ATOM 3637 C CA . PHE A 1 455 ? 21.050 -19.589 25.875 1.00 32.70 ? 455 PHE A CA 1 ATOM 3638 C C . PHE A 1 455 ? 21.263 -19.282 24.385 1.00 31.83 ? 455 PHE A C 1 ATOM 3639 O O . PHE A 1 455 ? 20.661 -19.887 23.482 1.00 30.38 ? 455 PHE A O 1 ATOM 3640 C CB . PHE A 1 455 ? 19.865 -18.806 26.428 1.00 30.42 ? 455 PHE A CB 1 ATOM 3641 C CG . PHE A 1 455 ? 18.608 -18.940 25.650 1.00 31.26 ? 455 PHE A CG 1 ATOM 3642 C CD1 . PHE A 1 455 ? 17.690 -19.933 25.958 1.00 35.77 ? 455 PHE A CD1 1 ATOM 3643 C CD2 . PHE A 1 455 ? 18.297 -18.037 24.670 1.00 34.20 ? 455 PHE A CD2 1 ATOM 3644 C CE1 . PHE A 1 455 ? 16.499 -20.030 25.278 1.00 36.05 ? 455 PHE A CE1 1 ATOM 3645 C CE2 . PHE A 1 455 ? 17.127 -18.109 23.996 1.00 35.24 ? 455 PHE A CE2 1 ATOM 3646 C CZ . PHE A 1 455 ? 16.219 -19.122 24.277 1.00 43.84 ? 455 PHE A CZ 1 ATOM 3647 N N . CYS A 1 456 ? 22.087 -18.295 24.141 1.00 30.30 ? 456 CYS A N 1 ATOM 3648 C CA . CYS A 1 456 ? 22.339 -17.835 22.798 1.00 35.20 ? 456 CYS A CA 1 ATOM 3649 C C . CYS A 1 456 ? 23.665 -18.380 22.242 1.00 34.19 ? 456 CYS A C 1 ATOM 3650 O O . CYS A 1 456 ? 24.118 -17.925 21.214 1.00 38.14 ? 456 CYS A O 1 ATOM 3651 C CB . CYS A 1 456 ? 22.390 -16.278 22.864 1.00 36.69 ? 456 CYS A CB 1 ATOM 3652 S SG . CYS A 1 456 ? 20.755 -15.604 22.747 1.00 38.01 ? 456 CYS A SG 1 ATOM 3653 N N . GLY A 1 457 ? 24.317 -19.307 22.950 1.00 37.21 ? 457 GLY A N 1 ATOM 3654 C CA . GLY A 1 457 ? 25.531 -19.960 22.414 1.00 38.91 ? 457 GLY A CA 1 ATOM 3655 C C . GLY A 1 457 ? 26.767 -19.085 22.470 1.00 39.87 ? 457 GLY A C 1 ATOM 3656 O O . GLY A 1 457 ? 27.710 -19.284 21.706 1.00 44.10 ? 457 GLY A O 1 ATOM 3657 N N . LEU A 1 458 ? 26.797 -18.168 23.430 1.00 39.33 ? 458 LEU A N 1 ATOM 3658 C CA . LEU A 1 458 ? 27.870 -17.197 23.535 1.00 40.06 ? 458 LEU A CA 1 ATOM 3659 C C . LEU A 1 458 ? 28.649 -17.523 24.758 1.00 36.53 ? 458 LEU A C 1 ATOM 3660 O O . LEU A 1 458 ? 28.156 -18.196 25.624 1.00 47.79 ? 458 LEU A O 1 ATOM 3661 C CB . LEU A 1 458 ? 27.267 -15.799 23.665 1.00 42.66 ? 458 LEU A CB 1 ATOM 3662 C CG . LEU A 1 458 ? 26.550 -15.376 22.380 1.00 40.19 ? 458 LEU A CG 1 ATOM 3663 C CD1 . LEU A 1 458 ? 25.689 -14.141 22.656 1.00 40.39 ? 458 LEU A CD1 1 ATOM 3664 C CD2 . LEU A 1 458 ? 27.559 -15.117 21.291 1.00 39.81 ? 458 LEU A CD2 1 ATOM 3665 N N . SER A 1 459 ? 29.859 -17.034 24.849 1.00 41.74 ? 459 SER A N 1 ATOM 3666 C CA . SER A 1 459 ? 30.695 -17.286 26.031 1.00 46.39 ? 459 SER A CA 1 ATOM 3667 C C . SER A 1 459 ? 30.122 -16.635 27.272 1.00 43.64 ? 459 SER A C 1 ATOM 3668 O O . SER A 1 459 ? 29.353 -15.665 27.190 1.00 48.28 ? 459 SER A O 1 ATOM 3669 C CB . SER A 1 459 ? 32.109 -16.764 25.796 1.00 46.22 ? 459 SER A CB 1 ATOM 3670 O OG . SER A 1 459 ? 32.081 -15.351 25.704 1.00 51.88 ? 459 SER A OG 1 ATOM 3671 N N . GLN A 1 460 ? 30.483 -17.173 28.423 1.00 41.80 ? 460 GLN A N 1 ATOM 3672 C CA . GLN A 1 460 ? 29.920 -16.740 29.667 1.00 42.26 ? 460 GLN A CA 1 ATOM 3673 C C . GLN A 1 460 ? 31.064 -16.293 30.538 1.00 47.91 ? 460 GLN A C 1 ATOM 3674 O O . GLN A 1 460 ? 31.616 -17.095 31.277 1.00 44.19 ? 460 GLN A O 1 ATOM 3675 C CB . GLN A 1 460 ? 29.159 -17.861 30.376 1.00 46.71 ? 460 GLN A CB 1 ATOM 3676 C CG . GLN A 1 460 ? 27.969 -18.416 29.610 1.00 47.57 ? 460 GLN A CG 1 ATOM 3677 C CD . GLN A 1 460 ? 27.162 -19.438 30.429 1.00 46.70 ? 460 GLN A CD 1 ATOM 3678 O OE1 . GLN A 1 460 ? 27.082 -19.385 31.652 1.00 47.77 ? 460 GLN A OE1 1 ATOM 3679 N NE2 . GLN A 1 460 ? 26.532 -20.331 29.738 1.00 44.06 ? 460 GLN A NE2 1 ATOM 3680 N N . PRO A 1 461 ? 31.393 -14.987 30.498 1.00 46.76 ? 461 PRO A N 1 ATOM 3681 C CA . PRO A 1 461 ? 32.552 -14.490 31.236 1.00 48.97 ? 461 PRO A CA 1 ATOM 3682 C C . PRO A 1 461 ? 32.398 -14.614 32.727 1.00 41.08 ? 461 PRO A C 1 ATOM 3683 O O . PRO A 1 461 ? 31.320 -14.336 33.252 1.00 39.83 ? 461 PRO A O 1 ATOM 3684 C CB . PRO A 1 461 ? 32.612 -13.000 30.830 1.00 50.41 ? 461 PRO A CB 1 ATOM 3685 C CG . PRO A 1 461 ? 31.205 -12.650 30.580 1.00 51.17 ? 461 PRO A CG 1 ATOM 3686 C CD . PRO A 1 461 ? 30.565 -13.884 29.980 1.00 47.51 ? 461 PRO A CD 1 ATOM 3687 N N . LYS A 1 462 ? 33.468 -15.017 33.415 1.00 41.83 ? 462 LYS A N 1 ATOM 3688 C CA . LYS A 1 462 ? 33.429 -15.222 34.871 1.00 46.07 ? 462 LYS A CA 1 ATOM 3689 C C . LYS A 1 462 ? 34.322 -14.262 35.617 1.00 44.13 ? 462 LYS A C 1 ATOM 3690 O O . LYS A 1 462 ? 34.130 -14.069 36.801 1.00 43.71 ? 462 LYS A O 1 ATOM 3691 C CB . LYS A 1 462 ? 33.819 -16.658 35.293 1.00 44.68 ? 462 LYS A CB 1 ATOM 3692 C CG . LYS A 1 462 ? 33.067 -17.758 34.588 1.00 51.40 ? 462 LYS A CG 1 ATOM 3693 C CD . LYS A 1 462 ? 31.565 -17.694 34.838 1.00 55.52 ? 462 LYS A CD 1 ATOM 3694 C CE . LYS A 1 462 ? 30.827 -18.728 34.003 1.00 56.92 ? 462 LYS A CE 1 ATOM 3695 N NZ . LYS A 1 462 ? 29.380 -18.784 34.363 1.00 64.60 ? 462 LYS A NZ 1 ATOM 3696 N N . THR A 1 463 ? 35.336 -13.786 34.902 1.00 44.74 ? 463 THR A N 1 ATOM 3697 C CA . THR A 1 463 ? 36.437 -13.037 35.465 1.00 44.54 ? 463 THR A CA 1 ATOM 3698 C C . THR A 1 463 ? 36.579 -11.702 34.761 1.00 40.48 ? 463 THR A C 1 ATOM 3699 O O . THR A 1 463 ? 36.667 -11.615 33.536 1.00 39.80 ? 463 THR A O 1 ATOM 3700 C CB . THR A 1 463 ? 37.763 -13.810 35.351 1.00 45.86 ? 463 THR A CB 1 ATOM 3701 O OG1 . THR A 1 463 ? 38.125 -13.942 33.971 1.00 42.65 ? 463 THR A OG1 1 ATOM 3702 C CG2 . THR A 1 463 ? 37.629 -15.192 35.971 1.00 49.24 ? 463 THR A CG2 1 ATOM 3703 N N . LEU A 1 464 ? 36.595 -10.667 35.580 1.00 38.44 ? 464 LEU A N 1 ATOM 3704 C CA . LEU A 1 464 ? 36.687 -9.317 35.176 1.00 42.01 ? 464 LEU A CA 1 ATOM 3705 C C . LEU A 1 464 ? 37.532 -9.043 33.944 1.00 40.20 ? 464 LEU A C 1 ATOM 3706 O O . LEU A 1 464 ? 37.234 -8.153 33.189 1.00 34.23 ? 464 LEU A O 1 ATOM 3707 C CB . LEU A 1 464 ? 37.481 -8.488 36.199 1.00 49.26 ? 464 LEU A CB 1 ATOM 3708 C CG . LEU A 1 464 ? 37.753 -6.986 35.896 1.00 57.41 ? 464 LEU A CG 1 ATOM 3709 C CD1 . LEU A 1 464 ? 36.455 -6.193 35.813 1.00 53.39 ? 464 LEU A CD1 1 ATOM 3710 C CD2 . LEU A 1 464 ? 38.710 -6.307 36.866 1.00 53.53 ? 464 LEU A CD2 1 ATOM 3711 N N . LYS A 1 465 ? 38.537 -9.806 33.837 1.00 44.07 ? 465 LYS A N 1 ATOM 3712 C CA . LYS A 1 465 ? 39.211 -9.676 32.557 1.00 47.85 ? 465 LYS A CA 1 ATOM 3713 C C . LYS A 1 465 ? 38.406 -10.250 31.414 1.00 45.45 ? 465 LYS A C 1 ATOM 3714 O O . LYS A 1 465 ? 38.465 -9.758 30.295 1.00 51.46 ? 465 LYS A O 1 ATOM 3715 C CB . LYS A 1 465 ? 40.590 -10.330 32.602 1.00 52.63 ? 465 LYS A CB 1 ATOM 3716 C CG . LYS A 1 465 ? 41.327 -10.229 31.264 1.00 57.42 ? 465 LYS A CG 1 ATOM 3717 C CD . LYS A 1 465 ? 42.751 -9.685 31.415 1.00 61.24 ? 465 LYS A CD 1 ATOM 3718 C CE . LYS A 1 465 ? 43.118 -8.854 30.197 1.00 64.18 ? 465 LYS A CE 1 ATOM 3719 N NZ . LYS A 1 465 ? 42.916 -9.608 28.928 1.00 62.99 ? 465 LYS A NZ 1 ATOM 3720 N N . GLY A 1 466 ? 37.693 -11.331 31.673 1.00 43.44 ? 466 GLY A N 1 ATOM 3721 C CA . GLY A 1 466 ? 36.870 -11.935 30.625 1.00 45.52 ? 466 GLY A CA 1 ATOM 3722 C C . GLY A 1 466 ? 35.695 -11.061 30.224 1.00 40.21 ? 466 GLY A C 1 ATOM 3723 O O . GLY A 1 466 ? 35.352 -10.973 29.062 1.00 40.47 ? 466 GLY A O 1 ATOM 3724 N N . LEU A 1 467 ? 35.086 -10.407 31.208 1.00 42.48 ? 467 LEU A N 1 ATOM 3725 C CA . LEU A 1 467 ? 34.040 -9.448 30.930 1.00 41.57 ? 467 LEU A CA 1 ATOM 3726 C C . LEU A 1 467 ? 34.574 -8.257 30.137 1.00 40.76 ? 467 LEU A C 1 ATOM 3727 O O . LEU A 1 467 ? 33.863 -7.743 29.290 1.00 36.24 ? 467 LEU A O 1 ATOM 3728 C CB . LEU A 1 467 ? 33.369 -8.984 32.216 1.00 42.09 ? 467 LEU A CB 1 ATOM 3729 C CG . LEU A 1 467 ? 32.153 -8.051 32.077 1.00 40.05 ? 467 LEU A CG 1 ATOM 3730 C CD1 . LEU A 1 467 ? 30.967 -8.734 31.424 1.00 42.97 ? 467 LEU A CD1 1 ATOM 3731 C CD2 . LEU A 1 467 ? 31.772 -7.601 33.464 1.00 40.86 ? 467 LEU A CD2 1 ATOM 3732 N N . GLN A 1 468 ? 35.831 -7.850 30.345 1.00 39.22 ? 468 GLN A N 1 ATOM 3733 C CA . GLN A 1 468 ? 36.368 -6.723 29.575 1.00 40.77 ? 468 GLN A CA 1 ATOM 3734 C C . GLN A 1 468 ? 36.416 -7.099 28.127 1.00 42.17 ? 468 GLN A C 1 ATOM 3735 O O . GLN A 1 468 ? 36.201 -6.304 27.214 1.00 42.82 ? 468 GLN A O 1 ATOM 3736 C CB . GLN A 1 468 ? 37.819 -6.392 29.981 1.00 45.97 ? 468 GLN A CB 1 ATOM 3737 C CG . GLN A 1 468 ? 38.006 -5.943 31.402 1.00 49.31 ? 468 GLN A CG 1 ATOM 3738 C CD . GLN A 1 468 ? 39.472 -5.603 31.737 1.00 54.35 ? 468 GLN A CD 1 ATOM 3739 O OE1 . GLN A 1 468 ? 39.725 -4.882 32.692 1.00 59.86 ? 468 GLN A OE1 1 ATOM 3740 N NE2 . GLN A 1 468 ? 40.432 -6.102 30.948 1.00 55.02 ? 468 GLN A NE2 1 ATOM 3741 N N . THR A 1 469 ? 36.758 -8.346 27.908 1.00 42.61 ? 469 THR A N 1 ATOM 3742 C CA . THR A 1 469 ? 36.918 -8.833 26.583 1.00 42.26 ? 469 THR A CA 1 ATOM 3743 C C . THR A 1 469 ? 35.577 -8.850 25.819 1.00 40.30 ? 469 THR A C 1 ATOM 3744 O O . THR A 1 469 ? 35.499 -8.374 24.676 1.00 38.24 ? 469 THR A O 1 ATOM 3745 C CB . THR A 1 469 ? 37.635 -10.176 26.663 1.00 45.46 ? 469 THR A CB 1 ATOM 3746 O OG1 . THR A 1 469 ? 38.668 -10.063 27.651 1.00 51.15 ? 469 THR A OG1 1 ATOM 3747 C CG2 . THR A 1 469 ? 38.252 -10.531 25.338 1.00 49.10 ? 469 THR A CG2 1 ATOM 3748 N N . VAL A 1 470 ? 34.524 -9.374 26.448 1.00 39.15 ? 470 VAL A N 1 ATOM 3749 C CA . VAL A 1 470 ? 33.216 -9.456 25.793 1.00 36.76 ? 470 VAL A CA 1 ATOM 3750 C C . VAL A 1 470 ? 32.693 -8.044 25.487 1.00 35.49 ? 470 VAL A C 1 ATOM 3751 O O . VAL A 1 470 ? 32.146 -7.798 24.422 1.00 36.58 ? 470 VAL A O 1 ATOM 3752 C CB . VAL A 1 470 ? 32.181 -10.227 26.657 1.00 42.07 ? 470 VAL A CB 1 ATOM 3753 C CG1 . VAL A 1 470 ? 30.797 -10.138 26.036 1.00 40.07 ? 470 VAL A CG1 1 ATOM 3754 C CG2 . VAL A 1 470 ? 32.593 -11.697 26.845 1.00 44.67 ? 470 VAL A CG2 1 ATOM 3755 N N . LEU A 1 471 ? 32.863 -7.132 26.440 1.00 32.47 ? 471 LEU A N 1 ATOM 3756 C CA . LEU A 1 471 ? 32.349 -5.771 26.301 1.00 34.51 ? 471 LEU A CA 1 ATOM 3757 C C . LEU A 1 471 ? 33.404 -4.797 25.782 1.00 38.49 ? 471 LEU A C 1 ATOM 3758 O O . LEU A 1 471 ? 33.196 -3.583 25.789 1.00 39.69 ? 471 LEU A O 1 ATOM 3759 C CB . LEU A 1 471 ? 31.789 -5.274 27.636 1.00 35.48 ? 471 LEU A CB 1 ATOM 3760 C CG . LEU A 1 471 ? 30.804 -6.204 28.346 1.00 36.47 ? 471 LEU A CG 1 ATOM 3761 C CD1 . LEU A 1 471 ? 30.780 -5.922 29.840 1.00 38.66 ? 471 LEU A CD1 1 ATOM 3762 C CD2 . LEU A 1 471 ? 29.412 -6.070 27.748 1.00 33.64 ? 471 LEU A CD2 1 ATOM 3763 N N . LYS A 1 472 ? 34.533 -5.333 25.334 1.00 38.91 ? 472 LYS A N 1 ATOM 3764 C CA . LYS A 1 472 ? 35.612 -4.516 24.798 1.00 39.08 ? 472 LYS A CA 1 ATOM 3765 C C . LYS A 1 472 ? 35.644 -3.177 25.517 1.00 36.12 ? 472 LYS A C 1 ATOM 3766 O O . LYS A 1 472 ? 35.622 -2.120 24.886 1.00 38.73 ? 472 LYS A O 1 ATOM 3767 C CB . LYS A 1 472 ? 35.432 -4.304 23.294 1.00 40.45 ? 472 LYS A CB 1 ATOM 3768 C CG . LYS A 1 472 ? 35.342 -5.592 22.493 1.00 45.08 ? 472 LYS A CG 1 ATOM 3769 C CD . LYS A 1 472 ? 34.700 -5.354 21.135 1.00 49.81 ? 472 LYS A CD 1 ATOM 3770 C CE . LYS A 1 472 ? 35.562 -5.907 20.012 1.00 58.91 ? 472 LYS A CE 1 ATOM 3771 N NZ . LYS A 1 472 ? 35.324 -7.360 19.794 1.00 60.05 ? 472 LYS A NZ 1 ATOM 3772 N N . ASN A 1 473 ? 35.690 -3.228 26.844 1.00 39.43 ? 473 ASN A N 1 ATOM 3773 C CA . ASN A 1 473 ? 35.646 -2.022 27.644 1.00 42.75 ? 473 ASN A CA 1 ATOM 3774 C C . ASN A 1 473 ? 36.070 -2.307 29.077 1.00 43.18 ? 473 ASN A C 1 ATOM 3775 O O . ASN A 1 473 ? 35.249 -2.773 29.924 1.00 40.09 ? 473 ASN A O 1 ATOM 3776 C CB . ASN A 1 473 ? 34.234 -1.424 27.621 1.00 39.46 ? 473 ASN A CB 1 ATOM 3777 C CG . ASN A 1 473 ? 34.205 0.023 28.092 1.00 39.65 ? 473 ASN A CG 1 ATOM 3778 O OD1 . ASN A 1 473 ? 34.816 0.359 29.082 1.00 38.43 ? 473 ASN A OD1 1 ATOM 3779 N ND2 . ASN A 1 473 ? 33.442 0.878 27.395 1.00 34.22 ? 473 ASN A ND2 1 ATOM 3780 N N . LYS A 1 474 ? 37.343 -2.009 29.356 1.00 41.31 ? 474 LYS A N 1 ATOM 3781 C CA . LYS A 1 474 ? 37.908 -2.211 30.691 1.00 41.92 ? 474 LYS A CA 1 ATOM 3782 C C . LYS A 1 474 ? 37.096 -1.530 31.769 1.00 42.12 ? 474 LYS A C 1 ATOM 3783 O O . LYS A 1 474 ? 36.780 -2.123 32.810 1.00 39.86 ? 474 LYS A O 1 ATOM 3784 C CB . LYS A 1 474 ? 39.336 -1.673 30.790 1.00 44.46 ? 474 LYS A CB 1 ATOM 3785 C CG . LYS A 1 474 ? 40.358 -2.541 30.078 1.00 49.09 ? 474 LYS A CG 1 ATOM 3786 C CD . LYS A 1 474 ? 41.771 -2.299 30.585 1.00 49.82 ? 474 LYS A CD 1 ATOM 3787 C CE . LYS A 1 474 ? 42.825 -2.709 29.543 1.00 54.55 ? 474 LYS A CE 1 ATOM 3788 N NZ . LYS A 1 474 ? 43.854 -3.621 30.130 1.00 54.78 ? 474 LYS A NZ 1 ATOM 3789 N N . ILE A 1 475 ? 36.763 -0.277 31.524 1.00 37.66 ? 475 ILE A N 1 ATOM 3790 C CA . ILE A 1 475 ? 36.249 0.564 32.610 1.00 42.96 ? 475 ILE A CA 1 ATOM 3791 C C . ILE A 1 475 ? 34.796 0.217 32.917 1.00 41.63 ? 475 ILE A C 1 ATOM 3792 O O . ILE A 1 475 ? 34.408 0.179 34.075 1.00 40.86 ? 475 ILE A O 1 ATOM 3793 C CB . ILE A 1 475 ? 36.405 2.067 32.278 1.00 46.51 ? 475 ILE A CB 1 ATOM 3794 C CG1 . ILE A 1 475 ? 37.857 2.523 32.507 1.00 48.44 ? 475 ILE A CG1 1 ATOM 3795 C CG2 . ILE A 1 475 ? 35.450 2.919 33.108 1.00 42.52 ? 475 ILE A CG2 1 ATOM 3796 C CD1 . ILE A 1 475 ? 38.189 3.860 31.843 1.00 48.56 ? 475 ILE A CD1 1 ATOM 3797 N N . LEU A 1 476 ? 33.992 -0.012 31.870 1.00 38.70 ? 476 LEU A N 1 ATOM 3798 C CA . LEU A 1 476 ? 32.597 -0.463 32.054 1.00 38.70 ? 476 LEU A CA 1 ATOM 3799 C C . LEU A 1 476 ? 32.548 -1.821 32.852 1.00 37.29 ? 476 LEU A C 1 ATOM 3800 O O . LEU A 1 476 ? 31.793 -1.998 33.820 1.00 34.35 ? 476 LEU A O 1 ATOM 3801 C CB . LEU A 1 476 ? 31.909 -0.609 30.694 1.00 36.65 ? 476 LEU A CB 1 ATOM 3802 C CG . LEU A 1 476 ? 30.451 -1.115 30.724 1.00 36.60 ? 476 LEU A CG 1 ATOM 3803 C CD1 . LEU A 1 476 ? 29.557 -0.271 31.652 1.00 38.24 ? 476 LEU A CD1 1 ATOM 3804 C CD2 . LEU A 1 476 ? 29.865 -1.089 29.341 1.00 36.40 ? 476 LEU A CD2 1 ATOM 3805 N N . ALA A 1 477 ? 33.353 -2.761 32.409 1.00 38.87 ? 477 ALA A N 1 ATOM 3806 C CA . ALA A 1 477 ? 33.483 -4.083 33.071 1.00 43.60 ? 477 ALA A CA 1 ATOM 3807 C C . ALA A 1 477 ? 33.761 -3.977 34.561 1.00 45.63 ? 477 ALA A C 1 ATOM 3808 O O . ALA A 1 477 ? 33.148 -4.661 35.387 1.00 47.09 ? 477 ALA A O 1 ATOM 3809 C CB . ALA A 1 477 ? 34.581 -4.876 32.390 1.00 43.52 ? 477 ALA A CB 1 ATOM 3810 N N . LYS A 1 478 ? 34.658 -3.057 34.880 1.00 48.30 ? 478 LYS A N 1 ATOM 3811 C CA . LYS A 1 478 ? 35.115 -2.823 36.230 1.00 46.14 ? 478 LYS A CA 1 ATOM 3812 C C . LYS A 1 478 ? 34.021 -2.356 37.152 1.00 44.12 ? 478 LYS A C 1 ATOM 3813 O O . LYS A 1 478 ? 33.896 -2.844 38.271 1.00 45.50 ? 478 LYS A O 1 ATOM 3814 C CB . LYS A 1 478 ? 36.219 -1.777 36.164 1.00 53.23 ? 478 LYS A CB 1 ATOM 3815 C CG . LYS A 1 478 ? 37.196 -1.750 37.318 1.00 57.64 ? 478 LYS A CG 1 ATOM 3816 C CD . LYS A 1 478 ? 38.285 -0.696 37.060 1.00 67.45 ? 478 LYS A CD 1 ATOM 3817 C CE . LYS A 1 478 ? 38.491 -0.357 35.562 1.00 70.68 ? 478 LYS A CE 1 ATOM 3818 N NZ . LYS A 1 478 ? 39.821 0.181 35.150 1.00 67.35 ? 478 LYS A NZ 1 ATOM 3819 N N . LYS A 1 479 ? 33.230 -1.399 36.678 1.00 44.22 ? 479 LYS A N 1 ATOM 3820 C CA . LYS A 1 479 ? 32.076 -0.897 37.417 1.00 42.95 ? 479 LYS A CA 1 ATOM 3821 C C . LYS A 1 479 ? 31.003 -1.980 37.571 1.00 38.25 ? 479 LYS A C 1 ATOM 3822 O O . LYS A 1 479 ? 30.432 -2.157 38.621 1.00 38.47 ? 479 LYS A O 1 ATOM 3823 C CB . LYS A 1 479 ? 31.451 0.288 36.673 1.00 43.21 ? 479 LYS A CB 1 ATOM 3824 C CG . LYS A 1 479 ? 32.358 1.495 36.463 1.00 47.67 ? 479 LYS A CG 1 ATOM 3825 C CD . LYS A 1 479 ? 31.758 2.517 35.485 1.00 47.53 ? 479 LYS A CD 1 ATOM 3826 C CE . LYS A 1 479 ? 32.573 3.806 35.500 1.00 57.96 ? 479 LYS A CE 1 ATOM 3827 N NZ . LYS A 1 479 ? 32.316 4.691 34.319 1.00 60.24 ? 479 LYS A NZ 1 ATOM 3828 N N . LEU A 1 480 ? 30.769 -2.707 36.482 1.00 41.35 ? 480 LEU A N 1 ATOM 3829 C CA . LEU A 1 480 ? 29.845 -3.831 36.489 1.00 42.46 ? 480 LEU A CA 1 ATOM 3830 C C . LEU A 1 480 ? 30.287 -4.851 37.529 1.00 38.79 ? 480 LEU A C 1 ATOM 3831 O O . LEU A 1 480 ? 29.487 -5.294 38.353 1.00 39.38 ? 480 LEU A O 1 ATOM 3832 C CB . LEU A 1 480 ? 29.778 -4.480 35.106 1.00 40.65 ? 480 LEU A CB 1 ATOM 3833 C CG . LEU A 1 480 ? 29.176 -3.630 33.985 1.00 43.50 ? 480 LEU A CG 1 ATOM 3834 C CD1 . LEU A 1 480 ? 29.371 -4.304 32.636 1.00 41.92 ? 480 LEU A CD1 1 ATOM 3835 C CD2 . LEU A 1 480 ? 27.703 -3.360 34.247 1.00 38.78 ? 480 LEU A CD2 1 ATOM 3836 N N . MET A 1 481 ? 31.565 -5.218 37.492 1.00 35.96 ? 481 MET A N 1 ATOM 3837 C CA . MET A 1 481 ? 32.120 -6.158 38.513 1.00 40.25 ? 481 MET A CA 1 ATOM 3838 C C . MET A 1 481 ? 32.023 -5.634 39.910 1.00 42.44 ? 481 MET A C 1 ATOM 3839 O O . MET A 1 481 ? 31.661 -6.388 40.829 1.00 42.00 ? 481 MET A O 1 ATOM 3840 C CB . MET A 1 481 ? 33.573 -6.521 38.264 1.00 39.24 ? 481 MET A CB 1 ATOM 3841 C CG . MET A 1 481 ? 33.756 -7.517 37.153 1.00 38.30 ? 481 MET A CG 1 ATOM 3842 S SD . MET A 1 481 ? 32.914 -9.113 37.379 1.00 49.81 ? 481 MET A SD 1 ATOM 3843 C CE . MET A 1 481 ? 31.294 -8.738 36.781 1.00 53.81 ? 481 MET A CE 1 ATOM 3844 N N . ASP A 1 482 ? 32.348 -4.356 40.073 1.00 45.66 ? 482 ASP A N 1 ATOM 3845 C CA . ASP A 1 482 ? 32.358 -3.737 41.370 1.00 41.62 ? 482 ASP A CA 1 ATOM 3846 C C . ASP A 1 482 ? 30.987 -3.786 41.957 1.00 41.72 ? 482 ASP A C 1 ATOM 3847 O O . ASP A 1 482 ? 30.827 -3.901 43.160 1.00 44.05 ? 482 ASP A O 1 ATOM 3848 C CB . ASP A 1 482 ? 32.777 -2.262 41.271 1.00 48.81 ? 482 ASP A CB 1 ATOM 3849 C CG . ASP A 1 482 ? 34.301 -2.068 41.178 1.00 45.96 ? 482 ASP A CG 1 ATOM 3850 O OD1 . ASP A 1 482 ? 35.060 -2.972 41.550 1.00 44.25 ? 482 ASP A OD1 1 ATOM 3851 O OD2 . ASP A 1 482 ? 34.721 -0.995 40.709 1.00 50.57 ? 482 ASP A OD2 1 ATOM 3852 N N . LEU A 1 483 ? 29.988 -3.628 41.113 1.00 40.94 ? 483 LEU A N 1 ATOM 3853 C CA . LEU A 1 483 ? 28.625 -3.639 41.581 1.00 41.13 ? 483 LEU A CA 1 ATOM 3854 C C . LEU A 1 483 ? 28.015 -5.024 41.691 1.00 36.38 ? 483 LEU A C 1 ATOM 3855 O O . LEU A 1 483 ? 27.232 -5.265 42.572 1.00 33.18 ? 483 LEU A O 1 ATOM 3856 C CB . LEU A 1 483 ? 27.744 -2.835 40.641 1.00 42.55 ? 483 LEU A CB 1 ATOM 3857 C CG . LEU A 1 483 ? 27.875 -1.331 40.750 1.00 50.52 ? 483 LEU A CG 1 ATOM 3858 C CD1 . LEU A 1 483 ? 27.240 -0.717 39.506 1.00 54.68 ? 483 LEU A CD1 1 ATOM 3859 C CD2 . LEU A 1 483 ? 27.215 -0.818 42.020 1.00 49.49 ? 483 LEU A CD2 1 ATOM 3860 N N . TYR A 1 484 ? 28.230 -5.877 40.708 1.00 38.38 ? 484 TYR A N 1 ATOM 3861 C CA . TYR A 1 484 ? 27.469 -7.140 40.643 1.00 38.75 ? 484 TYR A CA 1 ATOM 3862 C C . TYR A 1 484 ? 28.274 -8.330 41.220 1.00 40.66 ? 484 TYR A C 1 ATOM 3863 O O . TYR A 1 484 ? 27.705 -9.307 41.747 1.00 41.19 ? 484 TYR A O 1 ATOM 3864 C CB . TYR A 1 484 ? 27.077 -7.411 39.198 1.00 38.14 ? 484 TYR A CB 1 ATOM 3865 C CG . TYR A 1 484 ? 25.884 -6.610 38.695 1.00 38.68 ? 484 TYR A CG 1 ATOM 3866 C CD1 . TYR A 1 484 ? 24.583 -6.965 39.074 1.00 34.22 ? 484 TYR A CD1 1 ATOM 3867 C CD2 . TYR A 1 484 ? 26.044 -5.523 37.835 1.00 34.03 ? 484 TYR A CD2 1 ATOM 3868 C CE1 . TYR A 1 484 ? 23.500 -6.302 38.561 1.00 30.20 ? 484 TYR A CE1 1 ATOM 3869 C CE2 . TYR A 1 484 ? 24.955 -4.824 37.377 1.00 31.26 ? 484 TYR A CE2 1 ATOM 3870 C CZ . TYR A 1 484 ? 23.685 -5.216 37.766 1.00 30.13 ? 484 TYR A CZ 1 ATOM 3871 O OH . TYR A 1 484 ? 22.556 -4.605 37.298 1.00 26.55 ? 484 TYR A OH 1 ATOM 3872 N N . LYS A 1 485 ? 29.586 -8.241 41.065 1.00 35.91 ? 485 LYS A N 1 ATOM 3873 C CA . LYS A 1 485 ? 30.578 -9.133 41.679 1.00 39.50 ? 485 LYS A CA 1 ATOM 3874 C C . LYS A 1 485 ? 30.658 -10.448 40.956 1.00 38.29 ? 485 LYS A C 1 ATOM 3875 O O . LYS A 1 485 ? 31.464 -11.310 41.271 1.00 38.65 ? 485 LYS A O 1 ATOM 3876 C CB . LYS A 1 485 ? 30.192 -9.548 43.106 1.00 39.94 ? 485 LYS A CB 1 ATOM 3877 C CG . LYS A 1 485 ? 30.072 -8.333 44.056 1.00 46.30 ? 485 LYS A CG 1 ATOM 3878 C CD . LYS A 1 485 ? 31.304 -7.409 43.959 1.00 45.39 ? 485 LYS A CD 1 ATOM 3879 C CE . LYS A 1 485 ? 31.516 -6.456 45.144 1.00 53.57 ? 485 LYS A CE 1 ATOM 3880 N NZ . LYS A 1 485 ? 30.258 -5.788 45.563 1.00 57.54 ? 485 LYS A NZ 1 ATOM 3881 N N . THR A 1 486 ? 29.804 -10.611 39.984 1.00 37.02 ? 486 THR A N 1 ATOM 3882 C CA . THR A 1 486 ? 29.889 -11.759 39.136 1.00 36.50 ? 486 THR A CA 1 ATOM 3883 C C . THR A 1 486 ? 28.961 -11.427 37.991 1.00 34.26 ? 486 THR A C 1 ATOM 3884 O O . THR A 1 486 ? 27.843 -11.014 38.222 1.00 38.59 ? 486 THR A O 1 ATOM 3885 C CB . THR A 1 486 ? 29.575 -13.165 39.675 1.00 34.21 ? 486 THR A CB 1 ATOM 3886 O OG1 . THR A 1 486 ? 29.613 -14.066 38.570 1.00 36.31 ? 486 THR A OG1 1 ATOM 3887 C CG2 . THR A 1 486 ? 28.184 -13.231 40.324 1.00 36.47 ? 486 THR A CG2 1 ATOM 3888 N N . PRO A 1 487 ? 29.433 -11.621 36.761 1.00 38.35 ? 487 PRO A N 1 ATOM 3889 C CA . PRO A 1 487 ? 28.589 -11.416 35.598 1.00 38.23 ? 487 PRO A CA 1 ATOM 3890 C C . PRO A 1 487 ? 27.309 -12.251 35.609 1.00 44.41 ? 487 PRO A C 1 ATOM 3891 O O . PRO A 1 487 ? 26.338 -11.886 34.953 1.00 48.55 ? 487 PRO A O 1 ATOM 3892 C CB . PRO A 1 487 ? 29.472 -11.854 34.438 1.00 40.69 ? 487 PRO A CB 1 ATOM 3893 C CG . PRO A 1 487 ? 30.864 -11.792 34.945 1.00 39.63 ? 487 PRO A CG 1 ATOM 3894 C CD . PRO A 1 487 ? 30.785 -12.083 36.404 1.00 35.24 ? 487 PRO A CD 1 ATOM 3895 N N . ASP A 1 488 ? 27.299 -13.386 36.313 1.00 42.28 ? 488 ASP A N 1 ATOM 3896 C CA . ASP A 1 488 ? 26.087 -14.185 36.412 1.00 38.08 ? 488 ASP A CA 1 ATOM 3897 C C . ASP A 1 488 ? 24.986 -13.365 37.036 1.00 34.21 ? 488 ASP A C 1 ATOM 3898 O O . ASP A 1 488 ? 23.845 -13.629 36.741 1.00 37.28 ? 488 ASP A O 1 ATOM 3899 C CB . ASP A 1 488 ? 26.253 -15.452 37.273 1.00 44.92 ? 488 ASP A CB 1 ATOM 3900 C CG . ASP A 1 488 ? 27.365 -16.363 36.803 1.00 46.11 ? 488 ASP A CG 1 ATOM 3901 O OD1 . ASP A 1 488 ? 27.689 -16.365 35.579 1.00 41.76 ? 488 ASP A OD1 1 ATOM 3902 O OD2 . ASP A 1 488 ? 27.933 -17.064 37.698 1.00 46.07 ? 488 ASP A OD2 1 ATOM 3903 N N . ASN A 1 489 ? 25.312 -12.398 37.916 1.00 34.59 ? 489 ASN A N 1 ATOM 3904 C CA . ASN A 1 489 ? 24.294 -11.536 38.557 1.00 31.01 ? 489 ASN A CA 1 ATOM 3905 C C . ASN A 1 489 ? 23.908 -10.238 37.818 1.00 33.68 ? 489 ASN A C 1 ATOM 3906 O O . ASN A 1 489 ? 22.977 -9.531 38.219 1.00 31.95 ? 489 ASN A O 1 ATOM 3907 C CB . ASN A 1 489 ? 24.729 -11.141 39.957 1.00 32.65 ? 489 ASN A CB 1 ATOM 3908 C CG . ASN A 1 489 ? 24.768 -12.313 40.908 1.00 34.43 ? 489 ASN A CG 1 ATOM 3909 O OD1 . ASN A 1 489 ? 24.613 -13.466 40.502 1.00 39.53 ? 489 ASN A OD1 1 ATOM 3910 N ND2 . ASN A 1 489 ? 24.917 -12.012 42.170 1.00 33.10 ? 489 ASN A ND2 1 ATOM 3911 N N . ILE A 1 490 ? 24.645 -9.912 36.774 1.00 34.67 ? 490 ILE A N 1 ATOM 3912 C CA . ILE A 1 490 ? 24.338 -8.744 35.980 1.00 33.70 ? 490 ILE A CA 1 ATOM 3913 C C . ILE A 1 490 ? 22.937 -8.866 35.367 1.00 33.69 ? 490 ILE A C 1 ATOM 3914 O O . ILE A 1 490 ? 22.635 -9.867 34.676 1.00 32.36 ? 490 ILE A O 1 ATOM 3915 C CB . ILE A 1 490 ? 25.314 -8.601 34.841 1.00 30.62 ? 490 ILE A CB 1 ATOM 3916 C CG1 . ILE A 1 490 ? 26.737 -8.303 35.352 1.00 31.72 ? 490 ILE A CG1 1 ATOM 3917 C CG2 . ILE A 1 490 ? 24.843 -7.472 33.894 1.00 34.19 ? 490 ILE A CG2 1 ATOM 3918 C CD1 . ILE A 1 490 ? 27.748 -8.409 34.241 1.00 28.32 ? 490 ILE A CD1 1 ATOM 3919 N N . ASP A 1 491 ? 22.127 -7.821 35.541 1.00 33.88 ? 491 ASP A N 1 ATOM 3920 C CA . ASP A 1 491 ? 20.730 -7.872 35.073 1.00 36.19 ? 491 ASP A CA 1 ATOM 3921 C C . ASP A 1 491 ? 20.687 -7.821 33.535 1.00 31.37 ? 491 ASP A C 1 ATOM 3922 O O . ASP A 1 491 ? 21.385 -7.008 32.900 1.00 31.89 ? 491 ASP A O 1 ATOM 3923 C CB . ASP A 1 491 ? 19.841 -6.781 35.692 1.00 32.89 ? 491 ASP A CB 1 ATOM 3924 C CG . ASP A 1 491 ? 19.830 -6.783 37.254 1.00 36.57 ? 491 ASP A CG 1 ATOM 3925 O OD1 . ASP A 1 491 ? 19.151 -7.654 37.877 1.00 31.51 ? 491 ASP A OD1 1 ATOM 3926 O OD2 . ASP A 1 491 ? 20.403 -5.804 37.847 1.00 31.45 ? 491 ASP A OD2 1 ATOM 3927 N N . ILE A 1 492 ? 19.821 -8.643 32.952 1.00 33.30 ? 492 ILE A N 1 ATOM 3928 C CA . ILE A 1 492 ? 19.785 -8.800 31.489 1.00 32.01 ? 492 ILE A CA 1 ATOM 3929 C C . ILE A 1 492 ? 19.718 -7.436 30.732 1.00 32.36 ? 492 ILE A C 1 ATOM 3930 O O . ILE A 1 492 ? 20.377 -7.202 29.727 1.00 29.77 ? 492 ILE A O 1 ATOM 3931 C CB . ILE A 1 492 ? 18.716 -9.859 31.072 1.00 29.83 ? 492 ILE A CB 1 ATOM 3932 C CG1 . ILE A 1 492 ? 18.761 -10.141 29.567 1.00 26.93 ? 492 ILE A CG1 1 ATOM 3933 C CG2 . ILE A 1 492 ? 17.295 -9.512 31.438 1.00 29.93 ? 492 ILE A CG2 1 ATOM 3934 C CD1 . ILE A 1 492 ? 20.125 -10.558 29.187 1.00 26.53 ? 492 ILE A CD1 1 ATOM 3935 N N . TRP A 1 493 ? 18.977 -6.489 31.254 1.00 32.88 ? 493 TRP A N 1 ATOM 3936 C CA . TRP A 1 493 ? 18.786 -5.243 30.486 1.00 34.58 ? 493 TRP A CA 1 ATOM 3937 C C . TRP A 1 493 ? 20.111 -4.522 30.316 1.00 34.39 ? 493 TRP A C 1 ATOM 3938 O O . TRP A 1 493 ? 20.485 -4.047 29.215 1.00 31.03 ? 493 TRP A O 1 ATOM 3939 C CB . TRP A 1 493 ? 17.815 -4.326 31.192 1.00 31.20 ? 493 TRP A CB 1 ATOM 3940 C CG . TRP A 1 493 ? 17.660 -3.098 30.493 1.00 33.20 ? 493 TRP A CG 1 ATOM 3941 C CD1 . TRP A 1 493 ? 16.968 -2.885 29.313 1.00 30.43 ? 493 TRP A CD1 1 ATOM 3942 C CD2 . TRP A 1 493 ? 18.220 -1.848 30.875 1.00 30.87 ? 493 TRP A CD2 1 ATOM 3943 N NE1 . TRP A 1 493 ? 17.073 -1.577 28.962 1.00 32.86 ? 493 TRP A NE1 1 ATOM 3944 C CE2 . TRP A 1 493 ? 17.845 -0.919 29.902 1.00 30.60 ? 493 TRP A CE2 1 ATOM 3945 C CE3 . TRP A 1 493 ? 19.019 -1.423 31.971 1.00 34.45 ? 493 TRP A CE3 1 ATOM 3946 C CZ2 . TRP A 1 493 ? 18.208 0.451 29.992 1.00 33.48 ? 493 TRP A CZ2 1 ATOM 3947 C CZ3 . TRP A 1 493 ? 19.385 -0.072 32.062 1.00 32.82 ? 493 TRP A CZ3 1 ATOM 3948 C CH2 . TRP A 1 493 ? 18.973 0.854 31.080 1.00 27.69 ? 493 TRP A CH2 1 ATOM 3949 N N . ILE A 1 494 ? 20.844 -4.467 31.406 1.00 28.49 ? 494 ILE A N 1 ATOM 3950 C CA . ILE A 1 494 ? 22.076 -3.715 31.370 1.00 32.68 ? 494 ILE A CA 1 ATOM 3951 C C . ILE A 1 494 ? 23.182 -4.562 30.723 1.00 32.48 ? 494 ILE A C 1 ATOM 3952 O O . ILE A 1 494 ? 23.931 -4.057 29.893 1.00 37.49 ? 494 ILE A O 1 ATOM 3953 C CB . ILE A 1 494 ? 22.418 -3.118 32.737 1.00 34.26 ? 494 ILE A CB 1 ATOM 3954 C CG1 . ILE A 1 494 ? 23.568 -2.110 32.636 1.00 38.15 ? 494 ILE A CG1 1 ATOM 3955 C CG2 . ILE A 1 494 ? 22.781 -4.239 33.709 1.00 35.46 ? 494 ILE A CG2 1 ATOM 3956 C CD1 . ILE A 1 494 ? 23.284 -0.876 31.808 1.00 42.07 ? 494 ILE A CD1 1 ATOM 3957 N N . GLY A 1 495 ? 23.217 -5.859 30.993 1.00 36.97 ? 495 GLY A N 1 ATOM 3958 C CA . GLY A 1 495 ? 24.171 -6.714 30.310 1.00 34.18 ? 495 GLY A CA 1 ATOM 3959 C C . GLY A 1 495 ? 24.029 -6.692 28.800 1.00 32.33 ? 495 GLY A C 1 ATOM 3960 O O . GLY A 1 495 ? 24.983 -6.475 28.080 1.00 29.31 ? 495 GLY A O 1 ATOM 3961 N N . GLY A 1 496 ? 22.818 -6.927 28.320 1.00 32.47 ? 496 GLY A N 1 ATOM 3962 C CA . GLY A 1 496 ? 22.575 -6.953 26.912 1.00 30.71 ? 496 GLY A CA 1 ATOM 3963 C C . GLY A 1 496 ? 22.944 -5.631 26.299 1.00 28.79 ? 496 GLY A C 1 ATOM 3964 O O . GLY A 1 496 ? 23.508 -5.580 25.242 1.00 28.61 ? 496 GLY A O 1 ATOM 3965 N N . ASN A 1 497 ? 22.647 -4.549 26.992 1.00 26.15 ? 497 ASN A N 1 ATOM 3966 C CA . ASN A 1 497 ? 22.843 -3.248 26.384 1.00 26.21 ? 497 ASN A CA 1 ATOM 3967 C C . ASN A 1 497 ? 24.306 -2.793 26.457 1.00 29.85 ? 497 ASN A C 1 ATOM 3968 O O . ASN A 1 497 ? 24.714 -1.925 25.686 1.00 31.32 ? 497 ASN A O 1 ATOM 3969 C CB . ASN A 1 497 ? 21.889 -2.231 26.973 1.00 28.48 ? 497 ASN A CB 1 ATOM 3970 C CG . ASN A 1 497 ? 20.503 -2.447 26.502 1.00 28.81 ? 497 ASN A CG 1 ATOM 3971 O OD1 . ASN A 1 497 ? 19.543 -2.628 27.289 1.00 38.71 ? 497 ASN A OD1 1 ATOM 3972 N ND2 . ASN A 1 497 ? 20.354 -2.430 25.206 1.00 29.00 ? 497 ASN A ND2 1 ATOM 3973 N N . ALA A 1 498 ? 25.111 -3.446 27.305 1.00 30.24 ? 498 ALA A N 1 ATOM 3974 C CA . ALA A 1 498 ? 26.498 -3.038 27.497 1.00 31.95 ? 498 ALA A CA 1 ATOM 3975 C C . ALA A 1 498 ? 27.418 -3.551 26.405 1.00 33.32 ? 498 ALA A C 1 ATOM 3976 O O . ALA A 1 498 ? 28.497 -3.008 26.170 1.00 37.11 ? 498 ALA A O 1 ATOM 3977 C CB . ALA A 1 498 ? 26.978 -3.494 28.864 1.00 37.30 ? 498 ALA A CB 1 ATOM 3978 N N . GLU A 1 499 ? 26.976 -4.582 25.695 1.00 35.00 ? 499 GLU A N 1 ATOM 3979 C CA . GLU A 1 499 ? 27.733 -5.159 24.603 1.00 33.53 ? 499 GLU A CA 1 ATOM 3980 C C . GLU A 1 499 ? 27.849 -4.237 23.385 1.00 34.57 ? 499 GLU A C 1 ATOM 3981 O O . GLU A 1 499 ? 26.869 -3.671 22.914 1.00 33.36 ? 499 GLU A O 1 ATOM 3982 C CB . GLU A 1 499 ? 27.127 -6.503 24.189 1.00 33.63 ? 499 GLU A CB 1 ATOM 3983 C CG . GLU A 1 499 ? 27.066 -7.528 25.301 1.00 36.20 ? 499 GLU A CG 1 ATOM 3984 C CD . GLU A 1 499 ? 26.568 -8.898 24.842 1.00 35.02 ? 499 GLU A CD 1 ATOM 3985 O OE1 . GLU A 1 499 ? 26.055 -8.998 23.700 1.00 32.18 ? 499 GLU A OE1 1 ATOM 3986 O OE2 . GLU A 1 499 ? 26.689 -9.864 25.660 1.00 34.86 ? 499 GLU A OE2 1 ATOM 3987 N N . PRO A 1 500 ? 29.061 -4.118 22.823 1.00 31.72 ? 500 PRO A N 1 ATOM 3988 C CA . PRO A 1 500 ? 29.147 -3.308 21.585 1.00 34.09 ? 500 PRO A CA 1 ATOM 3989 C C . PRO A 1 500 ? 28.249 -3.831 20.470 1.00 39.97 ? 500 PRO A C 1 ATOM 3990 O O . PRO A 1 500 ? 28.031 -5.036 20.363 1.00 35.17 ? 500 PRO A O 1 ATOM 3991 C CB . PRO A 1 500 ? 30.636 -3.390 21.182 1.00 36.16 ? 500 PRO A CB 1 ATOM 3992 C CG . PRO A 1 500 ? 31.341 -4.084 22.300 1.00 37.52 ? 500 PRO A CG 1 ATOM 3993 C CD . PRO A 1 500 ? 30.298 -4.808 23.159 1.00 32.19 ? 500 PRO A CD 1 ATOM 3994 N N . MET A 1 501 ? 27.889 -2.845 19.631 1.00 42.12 ? 501 MET A N 1 ATOM 3995 C CA . MET A 1 501 ? 26.789 -2.796 18.666 1.00 41.75 ? 501 MET A CA 1 ATOM 3996 C C . MET A 1 501 ? 27.130 -3.227 17.239 1.00 43.93 ? 501 MET A C 1 ATOM 3997 O O . MET A 1 501 ? 27.478 -2.443 16.356 1.00 38.31 ? 501 MET A O 1 ATOM 3998 C CB . MET A 1 501 ? 26.168 -1.395 18.646 1.00 45.89 ? 501 MET A CB 1 ATOM 3999 C CG . MET A 1 501 ? 24.700 -1.362 19.042 1.00 47.15 ? 501 MET A CG 1 ATOM 4000 S SD . MET A 1 501 ? 23.908 0.207 18.641 1.00 58.20 ? 501 MET A SD 1 ATOM 4001 C CE . MET A 1 501 ? 24.082 1.081 20.195 1.00 54.68 ? 501 MET A CE 1 ATOM 4002 N N . VAL A 1 502 ? 27.360 -4.548 17.241 1.00 44.42 ? 502 VAL A N 1 ATOM 4003 C CA . VAL A 1 502 ? 27.261 -5.661 16.269 1.00 42.55 ? 502 VAL A CA 1 ATOM 4004 C C . VAL A 1 502 ? 28.092 -4.959 15.213 1.00 46.32 ? 502 VAL A C 1 ATOM 4005 O O . VAL A 1 502 ? 29.135 -4.387 15.461 1.00 38.76 ? 502 VAL A O 1 ATOM 4006 C CB . VAL A 1 502 ? 25.851 -6.313 16.174 1.00 42.19 ? 502 VAL A CB 1 ATOM 4007 C CG1 . VAL A 1 502 ? 25.287 -6.453 14.790 1.00 45.48 ? 502 VAL A CG1 1 ATOM 4008 C CG2 . VAL A 1 502 ? 25.867 -7.685 16.815 1.00 44.33 ? 502 VAL A CG2 1 ATOM 4009 N N . GLU A 1 503 ? 27.619 -5.100 14.033 1.00 50.28 ? 503 GLU A N 1 ATOM 4010 C CA . GLU A 1 503 ? 28.058 -4.505 12.785 1.00 49.22 ? 503 GLU A CA 1 ATOM 4011 C C . GLU A 1 503 ? 26.956 -4.142 11.840 1.00 43.42 ? 503 GLU A C 1 ATOM 4012 O O . GLU A 1 503 ? 26.086 -4.970 11.562 1.00 44.07 ? 503 GLU A O 1 ATOM 4013 C CB . GLU A 1 503 ? 28.698 -5.736 12.163 1.00 57.58 ? 503 GLU A CB 1 ATOM 4014 C CG . GLU A 1 503 ? 29.328 -5.493 10.819 1.00 66.31 ? 503 GLU A CG 1 ATOM 4015 C CD . GLU A 1 503 ? 30.487 -4.552 10.946 1.00 79.33 ? 503 GLU A CD 1 ATOM 4016 O OE1 . GLU A 1 503 ? 30.896 -4.334 12.120 1.00 81.73 ? 503 GLU A OE1 1 ATOM 4017 O OE2 . GLU A 1 503 ? 30.985 -4.072 9.882 1.00 82.17 ? 503 GLU A OE2 1 ATOM 4018 N N . ARG A 1 504 ? 26.834 -2.864 11.499 1.00 41.02 ? 504 ARG A N 1 ATOM 4019 C CA . ARG A 1 504 ? 25.655 -2.387 10.763 1.00 40.72 ? 504 ARG A CA 1 ATOM 4020 C C . ARG A 1 504 ? 24.316 -2.428 11.544 1.00 39.84 ? 504 ARG A C 1 ATOM 4021 O O . ARG A 1 504 ? 23.286 -1.993 11.030 1.00 38.17 ? 504 ARG A O 1 ATOM 4022 C CB . ARG A 1 504 ? 25.509 -3.151 9.443 1.00 50.68 ? 504 ARG A CB 1 ATOM 4023 C CG . ARG A 1 504 ? 26.831 -3.505 8.782 1.00 52.92 ? 504 ARG A CG 1 ATOM 4024 C CD . ARG A 1 504 ? 27.266 -2.425 7.804 1.00 62.27 ? 504 ARG A CD 1 ATOM 4025 N NE . ARG A 1 504 ? 26.135 -1.859 7.076 1.00 71.36 ? 504 ARG A NE 1 ATOM 4026 C CZ . ARG A 1 504 ? 26.008 -0.570 6.776 1.00 79.35 ? 504 ARG A CZ 1 ATOM 4027 N NH1 . ARG A 1 504 ? 26.945 0.293 7.143 1.00 77.45 ? 504 ARG A NH1 1 ATOM 4028 N NH2 . ARG A 1 504 ? 24.944 -0.144 6.109 1.00 73.94 ? 504 ARG A NH2 1 ATOM 4029 N N . GLY A 1 505 ? 24.338 -2.948 12.772 1.00 40.64 ? 505 GLY A N 1 ATOM 4030 C CA . GLY A 1 505 ? 23.148 -3.070 13.638 1.00 39.10 ? 505 GLY A CA 1 ATOM 4031 C C . GLY A 1 505 ? 23.196 -2.023 14.739 1.00 40.45 ? 505 GLY A C 1 ATOM 4032 O O . GLY A 1 505 ? 24.052 -1.147 14.716 1.00 36.13 ? 505 GLY A O 1 ATOM 4033 N N . ARG A 1 506 ? 22.285 -2.106 15.695 1.00 40.20 ? 506 ARG A N 1 ATOM 4034 C CA . ARG A 1 506 ? 22.283 -1.160 16.829 1.00 38.51 ? 506 ARG A CA 1 ATOM 4035 C C . ARG A 1 506 ? 22.064 -1.902 18.159 1.00 35.51 ? 506 ARG A C 1 ATOM 4036 O O . ARG A 1 506 ? 21.698 -1.308 19.211 1.00 28.71 ? 506 ARG A O 1 ATOM 4037 C CB . ARG A 1 506 ? 21.203 -0.106 16.589 1.00 36.85 ? 506 ARG A CB 1 ATOM 4038 C CG . ARG A 1 506 ? 21.535 0.871 15.456 1.00 38.88 ? 506 ARG A CG 1 ATOM 4039 C CD . ARG A 1 506 ? 22.721 1.781 15.805 1.00 35.44 ? 506 ARG A CD 1 ATOM 4040 N NE . ARG A 1 506 ? 22.927 2.768 14.755 1.00 34.05 ? 506 ARG A NE 1 ATOM 4041 C CZ . ARG A 1 506 ? 23.738 2.598 13.714 1.00 39.81 ? 506 ARG A CZ 1 ATOM 4042 N NH1 . ARG A 1 506 ? 24.370 1.434 13.549 1.00 38.57 ? 506 ARG A NH1 1 ATOM 4043 N NH2 . ARG A 1 506 ? 23.857 3.557 12.790 1.00 37.45 ? 506 ARG A NH2 1 ATOM 4044 N N . VAL A 1 507 ? 22.242 -3.220 18.088 1.00 30.94 ? 507 VAL A N 1 ATOM 4045 C CA . VAL A 1 507 ? 22.328 -4.068 19.269 1.00 29.49 ? 507 VAL A CA 1 ATOM 4046 C C . VAL A 1 507 ? 23.492 -5.011 19.210 1.00 28.97 ? 507 VAL A C 1 ATOM 4047 O O . VAL A 1 507 ? 24.057 -5.260 18.159 1.00 35.77 ? 507 VAL A O 1 ATOM 4048 C CB . VAL A 1 507 ? 21.030 -4.888 19.553 1.00 28.18 ? 507 VAL A CB 1 ATOM 4049 C CG1 . VAL A 1 507 ? 19.861 -3.971 19.722 1.00 27.54 ? 507 VAL A CG1 1 ATOM 4050 C CG2 . VAL A 1 507 ? 20.743 -5.906 18.431 1.00 30.32 ? 507 VAL A CG2 1 ATOM 4051 N N . GLY A 1 508 ? 23.849 -5.494 20.399 1.00 27.13 ? 508 GLY A N 1 ATOM 4052 C CA . GLY A 1 508 ? 24.940 -6.395 20.597 1.00 29.41 ? 508 GLY A CA 1 ATOM 4053 C C . GLY A 1 508 ? 24.569 -7.841 20.236 1.00 27.68 ? 508 GLY A C 1 ATOM 4054 O O . GLY A 1 508 ? 23.478 -8.117 19.724 1.00 34.60 ? 508 GLY A O 1 ATOM 4055 N N . PRO A 1 509 ? 25.504 -8.758 20.404 1.00 29.79 ? 509 PRO A N 1 ATOM 4056 C CA . PRO A 1 509 ? 25.203 -10.136 19.955 1.00 31.70 ? 509 PRO A CA 1 ATOM 4057 C C . PRO A 1 509 ? 24.125 -10.802 20.818 1.00 28.27 ? 509 PRO A C 1 ATOM 4058 O O . PRO A 1 509 ? 23.154 -11.428 20.288 1.00 32.48 ? 509 PRO A O 1 ATOM 4059 C CB . PRO A 1 509 ? 26.556 -10.822 20.075 1.00 34.02 ? 509 PRO A CB 1 ATOM 4060 C CG . PRO A 1 509 ? 27.497 -9.738 19.747 1.00 33.84 ? 509 PRO A CG 1 ATOM 4061 C CD . PRO A 1 509 ? 26.940 -8.481 20.345 1.00 30.10 ? 509 PRO A CD 1 ATOM 4062 N N . LEU A 1 510 ? 24.240 -10.650 22.125 1.00 27.97 ? 510 LEU A N 1 ATOM 4063 C CA . LEU A 1 510 ? 23.242 -11.270 22.992 1.00 29.09 ? 510 LEU A CA 1 ATOM 4064 C C . LEU A 1 510 ? 21.859 -10.825 22.581 1.00 32.78 ? 510 LEU A C 1 ATOM 4065 O O . LEU A 1 510 ? 20.959 -11.654 22.391 1.00 34.54 ? 510 LEU A O 1 ATOM 4066 C CB . LEU A 1 510 ? 23.484 -10.944 24.463 1.00 29.37 ? 510 LEU A CB 1 ATOM 4067 C CG . LEU A 1 510 ? 22.581 -11.563 25.526 1.00 36.06 ? 510 LEU A CG 1 ATOM 4068 C CD1 . LEU A 1 510 ? 22.532 -13.082 25.445 1.00 37.12 ? 510 LEU A CD1 1 ATOM 4069 C CD2 . LEU A 1 510 ? 23.037 -11.126 26.942 1.00 38.26 ? 510 LEU A CD2 1 ATOM 4070 N N . LEU A 1 511 ? 21.687 -9.516 22.427 1.00 29.50 ? 511 LEU A N 1 ATOM 4071 C CA . LEU A 1 511 ? 20.410 -8.953 22.009 1.00 30.50 ? 511 LEU A CA 1 ATOM 4072 C C . LEU A 1 511 ? 20.052 -9.384 20.590 1.00 28.53 ? 511 LEU A C 1 ATOM 4073 O O . LEU A 1 511 ? 18.901 -9.716 20.306 1.00 29.99 ? 511 LEU A O 1 ATOM 4074 C CB . LEU A 1 511 ? 20.442 -7.426 22.102 1.00 32.03 ? 511 LEU A CB 1 ATOM 4075 C CG . LEU A 1 511 ? 20.482 -6.834 23.513 1.00 36.03 ? 511 LEU A CG 1 ATOM 4076 C CD1 . LEU A 1 511 ? 20.458 -5.314 23.458 1.00 36.72 ? 511 LEU A CD1 1 ATOM 4077 C CD2 . LEU A 1 511 ? 19.328 -7.362 24.351 1.00 41.43 ? 511 LEU A CD2 1 ATOM 4078 N N . ALA A 1 512 ? 20.932 -9.336 19.648 1.00 27.06 ? 512 ALA A N 1 ATOM 4079 C CA . ALA A 1 512 ? 20.529 -9.745 18.351 1.00 29.94 ? 512 ALA A CA 1 ATOM 4080 C C . ALA A 1 512 ? 19.852 -11.098 18.434 1.00 33.99 ? 512 ALA A C 1 ATOM 4081 O O . ALA A 1 512 ? 18.819 -11.302 17.877 1.00 40.21 ? 512 ALA A O 1 ATOM 4082 C CB . ALA A 1 512 ? 21.698 -9.783 17.415 1.00 32.26 ? 512 ALA A CB 1 ATOM 4083 N N . CYS A 1 513 ? 20.431 -11.999 19.185 1.00 34.91 ? 513 CYS A N 1 ATOM 4084 C CA . CYS A 1 513 ? 19.949 -13.357 19.293 1.00 35.35 ? 513 CYS A CA 1 ATOM 4085 C C . CYS A 1 513 ? 18.542 -13.347 19.924 1.00 32.04 ? 513 CYS A C 1 ATOM 4086 O O . CYS A 1 513 ? 17.607 -13.893 19.344 1.00 32.81 ? 513 CYS A O 1 ATOM 4087 C CB . CYS A 1 513 ? 20.991 -14.214 20.062 1.00 38.23 ? 513 CYS A CB 1 ATOM 4088 S SG . CYS A 1 513 ? 20.367 -15.749 20.797 1.00 39.88 ? 513 CYS A SG 1 ATOM 4089 N N . LEU A 1 514 ? 18.380 -12.720 21.087 1.00 32.22 ? 514 LEU A N 1 ATOM 4090 C CA . LEU A 1 514 ? 17.048 -12.679 21.773 1.00 31.29 ? 514 LEU A CA 1 ATOM 4091 C C . LEU A 1 514 ? 15.967 -12.028 20.899 1.00 32.70 ? 514 LEU A C 1 ATOM 4092 O O . LEU A 1 514 ? 14.862 -12.572 20.714 1.00 31.44 ? 514 LEU A O 1 ATOM 4093 C CB . LEU A 1 514 ? 17.139 -11.943 23.115 1.00 31.45 ? 514 LEU A CB 1 ATOM 4094 C CG . LEU A 1 514 ? 18.219 -12.546 24.080 1.00 29.90 ? 514 LEU A CG 1 ATOM 4095 C CD1 . LEU A 1 514 ? 18.417 -11.704 25.320 1.00 31.39 ? 514 LEU A CD1 1 ATOM 4096 C CD2 . LEU A 1 514 ? 17.866 -13.954 24.461 1.00 27.39 ? 514 LEU A CD2 1 ATOM 4097 N N . LEU A 1 515 ? 16.329 -10.906 20.280 1.00 29.72 ? 515 LEU A N 1 ATOM 4098 C CA . LEU A 1 515 ? 15.419 -10.209 19.430 1.00 29.24 ? 515 LEU A CA 1 ATOM 4099 C C . LEU A 1 515 ? 15.158 -11.045 18.139 1.00 27.84 ? 515 LEU A C 1 ATOM 4100 O O . LEU A 1 515 ? 14.017 -11.263 17.805 1.00 26.37 ? 515 LEU A O 1 ATOM 4101 C CB . LEU A 1 515 ? 15.963 -8.820 19.038 1.00 30.60 ? 515 LEU A CB 1 ATOM 4102 C CG . LEU A 1 515 ? 16.084 -7.863 20.207 1.00 33.97 ? 515 LEU A CG 1 ATOM 4103 C CD1 . LEU A 1 515 ? 17.084 -6.775 19.886 1.00 35.94 ? 515 LEU A CD1 1 ATOM 4104 C CD2 . LEU A 1 515 ? 14.710 -7.305 20.602 1.00 38.28 ? 515 LEU A CD2 1 ATOM 4105 N N . GLY A 1 516 ? 16.195 -11.455 17.437 1.00 28.07 ? 516 GLY A N 1 ATOM 4106 C CA . GLY A 1 516 ? 16.016 -12.183 16.151 1.00 33.87 ? 516 GLY A CA 1 ATOM 4107 C C . GLY A 1 516 ? 15.057 -13.349 16.301 1.00 35.95 ? 516 GLY A C 1 ATOM 4108 O O . GLY A 1 516 ? 14.054 -13.477 15.585 1.00 41.69 ? 516 GLY A O 1 ATOM 4109 N N . ARG A 1 517 ? 15.329 -14.122 17.336 1.00 38.12 ? 517 ARG A N 1 ATOM 4110 C CA . ARG A 1 517 ? 14.584 -15.298 17.673 1.00 38.53 ? 517 ARG A CA 1 ATOM 4111 C C . ARG A 1 517 ? 13.133 -14.984 17.948 1.00 37.76 ? 517 ARG A C 1 ATOM 4112 O O . ARG A 1 517 ? 12.258 -15.658 17.438 1.00 37.69 ? 517 ARG A O 1 ATOM 4113 C CB . ARG A 1 517 ? 15.239 -15.990 18.863 1.00 44.20 ? 517 ARG A CB 1 ATOM 4114 C CG . ARG A 1 517 ? 14.814 -17.434 19.033 1.00 56.45 ? 517 ARG A CG 1 ATOM 4115 C CD . ARG A 1 517 ? 15.213 -17.980 20.406 1.00 56.39 ? 517 ARG A CD 1 ATOM 4116 N NE . ARG A 1 517 ? 16.670 -17.929 20.646 1.00 62.68 ? 517 ARG A NE 1 ATOM 4117 C CZ . ARG A 1 517 ? 17.500 -18.984 20.602 1.00 63.28 ? 517 ARG A CZ 1 ATOM 4118 N NH1 . ARG A 1 517 ? 17.031 -20.196 20.300 1.00 53.11 ? 517 ARG A NH1 1 ATOM 4119 N NH2 . ARG A 1 517 ? 18.814 -18.834 20.878 1.00 55.70 ? 517 ARG A NH2 1 ATOM 4120 N N . GLN A 1 518 ? 12.855 -13.917 18.666 1.00 34.39 ? 518 GLN A N 1 ATOM 4121 C CA . GLN A 1 518 ? 11.466 -13.551 18.928 1.00 34.35 ? 518 GLN A CA 1 ATOM 4122 C C . GLN A 1 518 ? 10.735 -13.109 17.672 1.00 30.60 ? 518 GLN A C 1 ATOM 4123 O O . GLN A 1 518 ? 9.582 -13.469 17.458 1.00 34.24 ? 518 GLN A O 1 ATOM 4124 C CB . GLN A 1 518 ? 11.367 -12.415 19.955 1.00 33.18 ? 518 GLN A CB 1 ATOM 4125 C CG . GLN A 1 518 ? 9.928 -12.094 20.332 1.00 33.50 ? 518 GLN A CG 1 ATOM 4126 C CD . GLN A 1 518 ? 9.297 -13.159 21.177 1.00 35.34 ? 518 GLN A CD 1 ATOM 4127 O OE1 . GLN A 1 518 ? 9.569 -13.241 22.393 1.00 36.95 ? 518 GLN A OE1 1 ATOM 4128 N NE2 . GLN A 1 518 ? 8.432 -13.988 20.556 1.00 37.29 ? 518 GLN A NE2 1 ATOM 4129 N N . PHE A 1 519 ? 11.382 -12.272 16.876 1.00 33.23 ? 519 PHE A N 1 ATOM 4130 C CA . PHE A 1 519 ? 10.782 -11.804 15.622 1.00 34.89 ? 519 PHE A CA 1 ATOM 4131 C C . PHE A 1 519 ? 10.591 -12.933 14.559 1.00 36.14 ? 519 PHE A C 1 ATOM 4132 O O . PHE A 1 519 ? 9.602 -12.973 13.793 1.00 34.74 ? 519 PHE A O 1 ATOM 4133 C CB . PHE A 1 519 ? 11.607 -10.621 15.072 1.00 33.68 ? 519 PHE A CB 1 ATOM 4134 C CG . PHE A 1 519 ? 11.236 -9.269 15.704 1.00 33.95 ? 519 PHE A CG 1 ATOM 4135 C CD1 . PHE A 1 519 ? 10.058 -8.639 15.358 1.00 38.09 ? 519 PHE A CD1 1 ATOM 4136 C CD2 . PHE A 1 519 ? 12.065 -8.654 16.585 1.00 31.67 ? 519 PHE A CD2 1 ATOM 4137 C CE1 . PHE A 1 519 ? 9.693 -7.434 15.936 1.00 37.67 ? 519 PHE A CE1 1 ATOM 4138 C CE2 . PHE A 1 519 ? 11.747 -7.434 17.151 1.00 32.61 ? 519 PHE A CE2 1 ATOM 4139 C CZ . PHE A 1 519 ? 10.549 -6.826 16.837 1.00 34.50 ? 519 PHE A CZ 1 ATOM 4140 N N . GLN A 1 520 ? 11.531 -13.848 14.514 1.00 40.74 ? 520 GLN A N 1 ATOM 4141 C CA . GLN A 1 520 ? 11.367 -15.032 13.654 1.00 41.28 ? 520 GLN A CA 1 ATOM 4142 C C . GLN A 1 520 ? 10.059 -15.745 13.997 1.00 41.32 ? 520 GLN A C 1 ATOM 4143 O O . GLN A 1 520 ? 9.317 -16.161 13.135 1.00 41.59 ? 520 GLN A O 1 ATOM 4144 C CB . GLN A 1 520 ? 12.587 -15.946 13.825 1.00 42.57 ? 520 GLN A CB 1 ATOM 4145 C CG . GLN A 1 520 ? 12.506 -17.327 13.143 1.00 47.14 ? 520 GLN A CG 1 ATOM 4146 C CD . GLN A 1 520 ? 12.240 -18.425 14.157 1.00 48.45 ? 520 GLN A CD 1 ATOM 4147 O OE1 . GLN A 1 520 ? 11.179 -19.044 14.149 1.00 57.58 ? 520 GLN A OE1 1 ATOM 4148 N NE2 . GLN A 1 520 ? 13.162 -18.609 15.082 1.00 44.04 ? 520 GLN A NE2 1 ATOM 4149 N N . GLN A 1 521 ? 9.757 -15.863 15.273 1.00 40.38 ? 521 GLN A N 1 ATOM 4150 C CA . GLN A 1 521 ? 8.618 -16.623 15.673 1.00 39.87 ? 521 GLN A CA 1 ATOM 4151 C C . GLN A 1 521 ? 7.320 -15.876 15.495 1.00 40.17 ? 521 GLN A C 1 ATOM 4152 O O . GLN A 1 521 ? 6.328 -16.477 15.062 1.00 40.27 ? 521 GLN A O 1 ATOM 4153 C CB . GLN A 1 521 ? 8.711 -16.955 17.140 1.00 46.07 ? 521 GLN A CB 1 ATOM 4154 C CG . GLN A 1 521 ? 9.866 -17.824 17.558 1.00 43.90 ? 521 GLN A CG 1 ATOM 4155 C CD . GLN A 1 521 ? 9.802 -18.090 19.063 1.00 41.54 ? 521 GLN A CD 1 ATOM 4156 O OE1 . GLN A 1 521 ? 8.748 -17.922 19.707 1.00 43.33 ? 521 GLN A OE1 1 ATOM 4157 N NE2 . GLN A 1 521 ? 10.917 -18.504 19.622 1.00 36.73 ? 521 GLN A NE2 1 ATOM 4158 N N . ILE A 1 522 ? 7.397 -14.577 15.772 1.00 38.69 ? 522 ILE A N 1 ATOM 4159 C CA . ILE A 1 522 ? 6.381 -13.614 15.419 1.00 40.61 ? 522 ILE A CA 1 ATOM 4160 C C . ILE A 1 522 ? 6.034 -13.775 13.949 1.00 38.33 ? 522 ILE A C 1 ATOM 4161 O O . ILE A 1 522 ? 4.854 -13.761 13.600 1.00 36.31 ? 522 ILE A O 1 ATOM 4162 C CB . ILE A 1 522 ? 6.855 -12.172 15.673 1.00 41.13 ? 522 ILE A CB 1 ATOM 4163 C CG1 . ILE A 1 522 ? 8.259 -11.963 15.103 1.00 41.81 ? 522 ILE A CG1 1 ATOM 4164 C CG2 . ILE A 1 522 ? 6.827 -11.856 17.161 1.00 44.46 ? 522 ILE A CG2 1 ATOM 4165 C CD1 . ILE A 1 522 ? 8.745 -10.533 15.184 1.00 45.00 ? 522 ILE A CD1 1 ATOM 4166 N N . ARG A 1 523 ? 7.041 -13.956 13.101 1.00 37.32 ? 523 ARG A N 1 ATOM 4167 C CA . ARG A 1 523 ? 6.820 -14.042 11.658 1.00 40.21 ? 523 ARG A CA 1 ATOM 4168 C C . ARG A 1 523 ? 6.375 -15.421 11.160 1.00 40.78 ? 523 ARG A C 1 ATOM 4169 O O . ARG A 1 523 ? 5.555 -15.518 10.247 1.00 37.31 ? 523 ARG A O 1 ATOM 4170 C CB . ARG A 1 523 ? 8.077 -13.600 10.903 1.00 39.06 ? 523 ARG A CB 1 ATOM 4171 C CG . ARG A 1 523 ? 7.891 -13.493 9.398 1.00 46.33 ? 523 ARG A CG 1 ATOM 4172 C CD . ARG A 1 523 ? 9.229 -13.406 8.681 1.00 47.62 ? 523 ARG A CD 1 ATOM 4173 N NE . ARG A 1 523 ? 10.007 -14.633 8.823 1.00 46.61 ? 523 ARG A NE 1 ATOM 4174 C CZ . ARG A 1 523 ? 11.231 -14.803 8.334 1.00 43.96 ? 523 ARG A CZ 1 ATOM 4175 N NH1 . ARG A 1 523 ? 11.822 -13.821 7.667 1.00 49.78 ? 523 ARG A NH1 1 ATOM 4176 N NH2 . ARG A 1 523 ? 11.864 -15.954 8.510 1.00 48.97 ? 523 ARG A NH2 1 ATOM 4177 N N . ASP A 1 524 ? 6.919 -16.481 11.750 1.00 39.32 ? 524 ASP A N 1 ATOM 4178 C CA . ASP A 1 524 ? 6.666 -17.840 11.268 1.00 37.67 ? 524 ASP A CA 1 ATOM 4179 C C . ASP A 1 524 ? 5.414 -18.451 11.912 1.00 40.45 ? 524 ASP A C 1 ATOM 4180 O O . ASP A 1 524 ? 4.837 -19.404 11.375 1.00 49.24 ? 524 ASP A O 1 ATOM 4181 C CB . ASP A 1 524 ? 7.811 -18.765 11.559 1.00 33.78 ? 524 ASP A CB 1 ATOM 4182 C CG . ASP A 1 524 ? 9.025 -18.396 10.852 1.00 32.53 ? 524 ASP A CG 1 ATOM 4183 O OD1 . ASP A 1 524 ? 8.981 -17.565 9.928 1.00 42.41 ? 524 ASP A OD1 1 ATOM 4184 O OD2 . ASP A 1 524 ? 10.046 -18.985 11.183 1.00 31.14 ? 524 ASP A OD2 1 ATOM 4185 N N . GLY A 1 525 ? 4.978 -17.922 13.038 1.00 39.53 ? 525 GLY A N 1 ATOM 4186 C CA . GLY A 1 525 ? 3.930 -18.581 13.811 1.00 33.75 ? 525 GLY A CA 1 ATOM 4187 C C . GLY A 1 525 ? 2.654 -17.819 13.734 1.00 33.64 ? 525 GLY A C 1 ATOM 4188 O O . GLY A 1 525 ? 1.766 -18.095 14.486 1.00 32.68 ? 525 GLY A O 1 ATOM 4189 N N . ASP A 1 526 ? 2.578 -16.832 12.840 1.00 32.69 ? 526 ASP A N 1 ATOM 4190 C CA . ASP A 1 526 ? 1.358 -16.081 12.552 1.00 35.95 ? 526 ASP A CA 1 ATOM 4191 C C . ASP A 1 526 ? 0.594 -16.590 11.297 1.00 45.70 ? 526 ASP A C 1 ATOM 4192 O O . ASP A 1 526 ? 1.147 -16.552 10.175 1.00 44.07 ? 526 ASP A O 1 ATOM 4193 C CB . ASP A 1 526 ? 1.804 -14.655 12.253 1.00 39.08 ? 526 ASP A CB 1 ATOM 4194 C CG . ASP A 1 526 ? 0.669 -13.680 12.089 1.00 41.13 ? 526 ASP A CG 1 ATOM 4195 O OD1 . ASP A 1 526 ? -0.530 -14.032 12.210 1.00 46.73 ? 526 ASP A OD1 1 ATOM 4196 O OD2 . ASP A 1 526 ? 1.013 -12.502 11.912 1.00 37.38 ? 526 ASP A OD2 1 ATOM 4197 N N . ARG A 1 527 ? -0.663 -17.008 11.484 1.00 48.38 ? 527 ARG A N 1 ATOM 4198 C CA . ARG A 1 527 ? -1.479 -17.557 10.386 1.00 48.11 ? 527 ARG A CA 1 ATOM 4199 C C . ARG A 1 527 ? -1.905 -16.453 9.438 1.00 49.64 ? 527 ARG A C 1 ATOM 4200 O O . ARG A 1 527 ? -2.179 -16.716 8.279 1.00 45.58 ? 527 ARG A O 1 ATOM 4201 C CB . ARG A 1 527 ? -2.725 -18.250 10.931 1.00 49.77 ? 527 ARG A CB 1 ATOM 4202 C CG . ARG A 1 527 ? -3.593 -18.939 9.859 1.00 47.82 ? 527 ARG A CG 1 ATOM 4203 C CD . ARG A 1 527 ? -4.346 -20.120 10.454 1.00 44.86 ? 527 ARG A CD 1 ATOM 4204 N NE . ARG A 1 527 ? -5.380 -19.670 11.363 1.00 42.51 ? 527 ARG A NE 1 ATOM 4205 C CZ . ARG A 1 527 ? -6.543 -19.159 10.968 1.00 44.75 ? 527 ARG A CZ 1 ATOM 4206 N NH1 . ARG A 1 527 ? -6.813 -19.058 9.688 1.00 49.35 ? 527 ARG A NH1 1 ATOM 4207 N NH2 . ARG A 1 527 ? -7.452 -18.747 11.853 1.00 45.01 ? 527 ARG A NH2 1 ATOM 4208 N N . PHE A 1 528 ? -1.944 -15.214 9.952 1.00 47.07 ? 528 PHE A N 1 ATOM 4209 C CA . PHE A 1 528 ? -2.343 -14.077 9.169 1.00 42.39 ? 528 PHE A CA 1 ATOM 4210 C C . PHE A 1 528 ? -1.188 -13.220 8.729 1.00 42.74 ? 528 PHE A C 1 ATOM 4211 O O . PHE A 1 528 ? -1.382 -12.088 8.252 1.00 42.80 ? 528 PHE A O 1 ATOM 4212 C CB . PHE A 1 528 ? -3.379 -13.264 9.932 1.00 50.25 ? 528 PHE A CB 1 ATOM 4213 C CG . PHE A 1 528 ? -4.659 -14.000 10.171 1.00 49.45 ? 528 PHE A CG 1 ATOM 4214 C CD1 . PHE A 1 528 ? -4.939 -14.562 11.411 1.00 52.73 ? 528 PHE A CD1 1 ATOM 4215 C CD2 . PHE A 1 528 ? -5.603 -14.117 9.155 1.00 50.44 ? 528 PHE A CD2 1 ATOM 4216 C CE1 . PHE A 1 528 ? -6.149 -15.212 11.640 1.00 52.41 ? 528 PHE A CE1 1 ATOM 4217 C CE2 . PHE A 1 528 ? -6.799 -14.787 9.367 1.00 49.09 ? 528 PHE A CE2 1 ATOM 4218 C CZ . PHE A 1 528 ? -7.078 -15.329 10.610 1.00 50.90 ? 528 PHE A CZ 1 ATOM 4219 N N . TRP A 1 529 ? 0.025 -13.753 8.803 1.00 39.28 ? 529 TRP A N 1 ATOM 4220 C CA . TRP A 1 529 ? 1.140 -13.050 8.218 1.00 41.77 ? 529 TRP A CA 1 ATOM 4221 C C . TRP A 1 529 ? 0.752 -12.572 6.822 1.00 45.05 ? 529 TRP A C 1 ATOM 4222 O O . TRP A 1 529 ? 0.333 -13.363 5.974 1.00 53.05 ? 529 TRP A O 1 ATOM 4223 C CB . TRP A 1 529 ? 2.399 -13.936 8.197 1.00 41.51 ? 529 TRP A CB 1 ATOM 4224 C CG . TRP A 1 529 ? 3.603 -13.205 7.849 1.00 42.89 ? 529 TRP A CG 1 ATOM 4225 C CD1 . TRP A 1 529 ? 4.304 -13.313 6.705 1.00 46.71 ? 529 TRP A CD1 1 ATOM 4226 C CD2 . TRP A 1 529 ? 4.276 -12.231 8.639 1.00 45.00 ? 529 TRP A CD2 1 ATOM 4227 N NE1 . TRP A 1 529 ? 5.368 -12.480 6.714 1.00 41.70 ? 529 TRP A NE1 1 ATOM 4228 C CE2 . TRP A 1 529 ? 5.374 -11.784 7.888 1.00 46.48 ? 529 TRP A CE2 1 ATOM 4229 C CE3 . TRP A 1 529 ? 4.066 -11.701 9.908 1.00 46.48 ? 529 TRP A CE3 1 ATOM 4230 C CZ2 . TRP A 1 529 ? 6.273 -10.821 8.356 1.00 49.48 ? 529 TRP A CZ2 1 ATOM 4231 C CZ3 . TRP A 1 529 ? 4.961 -10.717 10.376 1.00 51.37 ? 529 TRP A CZ3 1 ATOM 4232 C CH2 . TRP A 1 529 ? 6.053 -10.303 9.596 1.00 45.38 ? 529 TRP A CH2 1 ATOM 4233 N N . TRP A 1 530 ? 0.888 -11.276 6.574 1.00 49.24 ? 530 TRP A N 1 ATOM 4234 C CA . TRP A 1 530 ? 0.649 -10.704 5.226 1.00 46.92 ? 530 TRP A CA 1 ATOM 4235 C C . TRP A 1 530 ? 1.137 -11.581 4.038 1.00 49.19 ? 530 TRP A C 1 ATOM 4236 O O . TRP A 1 530 ? 0.438 -11.686 3.017 1.00 53.79 ? 530 TRP A O 1 ATOM 4237 C CB . TRP A 1 530 ? 1.250 -9.275 5.101 1.00 41.03 ? 530 TRP A CB 1 ATOM 4238 C CG . TRP A 1 530 ? 2.690 -9.244 4.722 1.00 35.56 ? 530 TRP A CG 1 ATOM 4239 C CD1 . TRP A 1 530 ? 3.771 -9.436 5.538 1.00 40.41 ? 530 TRP A CD1 1 ATOM 4240 C CD2 . TRP A 1 530 ? 3.206 -9.030 3.432 1.00 39.47 ? 530 TRP A CD2 1 ATOM 4241 N NE1 . TRP A 1 530 ? 4.931 -9.382 4.811 1.00 36.81 ? 530 TRP A NE1 1 ATOM 4242 C CE2 . TRP A 1 530 ? 4.609 -9.100 3.518 1.00 37.71 ? 530 TRP A CE2 1 ATOM 4243 C CE3 . TRP A 1 530 ? 2.617 -8.773 2.180 1.00 43.81 ? 530 TRP A CE3 1 ATOM 4244 C CZ2 . TRP A 1 530 ? 5.429 -8.958 2.409 1.00 35.99 ? 530 TRP A CZ2 1 ATOM 4245 C CZ3 . TRP A 1 530 ? 3.445 -8.630 1.091 1.00 41.31 ? 530 TRP A CZ3 1 ATOM 4246 C CH2 . TRP A 1 530 ? 4.830 -8.732 1.212 1.00 37.34 ? 530 TRP A CH2 1 ATOM 4247 N N . GLU A 1 531 ? 2.324 -12.176 4.155 1.00 45.57 ? 531 GLU A N 1 ATOM 4248 C CA . GLU A 1 531 ? 2.926 -12.910 3.033 1.00 50.84 ? 531 GLU A CA 1 ATOM 4249 C C . GLU A 1 531 ? 2.552 -14.420 2.990 1.00 52.19 ? 531 GLU A C 1 ATOM 4250 O O . GLU A 1 531 ? 3.030 -15.179 2.149 1.00 52.76 ? 531 GLU A O 1 ATOM 4251 C CB . GLU A 1 531 ? 4.447 -12.740 3.071 1.00 49.48 ? 531 GLU A CB 1 ATOM 4252 C CG . GLU A 1 531 ? 5.103 -12.559 1.701 1.00 49.14 ? 531 GLU A CG 1 ATOM 4253 C CD . GLU A 1 531 ? 6.597 -12.398 1.807 1.00 51.30 ? 531 GLU A CD 1 ATOM 4254 O OE1 . GLU A 1 531 ? 7.124 -12.449 2.941 1.00 63.87 ? 531 GLU A OE1 1 ATOM 4255 O OE2 . GLU A 1 531 ? 7.255 -12.226 0.769 1.00 57.70 ? 531 GLU A OE2 1 ATOM 4256 N N . ASN A 1 532 ? 1.699 -14.853 3.902 1.00 48.84 ? 532 ASN A N 1 ATOM 4257 C CA . ASN A 1 532 ? 1.243 -16.236 3.913 1.00 50.22 ? 532 ASN A CA 1 ATOM 4258 C C . ASN A 1 532 ? 0.255 -16.419 2.759 1.00 42.42 ? 532 ASN A C 1 ATOM 4259 O O . ASN A 1 532 ? -0.743 -15.712 2.694 1.00 44.94 ? 532 ASN A O 1 ATOM 4260 C CB . ASN A 1 532 ? 0.559 -16.526 5.257 1.00 48.24 ? 532 ASN A CB 1 ATOM 4261 C CG . ASN A 1 532 ? 0.179 -17.979 5.453 1.00 42.38 ? 532 ASN A CG 1 ATOM 4262 O OD1 . ASN A 1 532 ? 0.823 -18.916 4.953 1.00 39.19 ? 532 ASN A OD1 1 ATOM 4263 N ND2 . ASN A 1 532 ? -0.846 -18.172 6.253 1.00 43.42 ? 532 ASN A ND2 1 ATOM 4264 N N . PRO A 1 533 ? 0.541 -17.356 1.848 1.00 48.53 ? 533 PRO A N 1 ATOM 4265 C CA . PRO A 1 533 ? -0.441 -17.686 0.809 1.00 53.15 ? 533 PRO A CA 1 ATOM 4266 C C . PRO A 1 533 ? -1.883 -17.868 1.353 1.00 53.19 ? 533 PRO A C 1 ATOM 4267 O O . PRO A 1 533 ? -2.097 -18.605 2.310 1.00 57.32 ? 533 PRO A O 1 ATOM 4268 C CB . PRO A 1 533 ? 0.136 -18.980 0.241 1.00 51.97 ? 533 PRO A CB 1 ATOM 4269 C CG . PRO A 1 533 ? 1.594 -18.688 0.233 1.00 47.64 ? 533 PRO A CG 1 ATOM 4270 C CD . PRO A 1 533 ? 1.842 -17.992 1.553 1.00 49.14 ? 533 PRO A CD 1 ATOM 4271 N N . GLY A 1 534 ? -2.825 -17.129 0.770 1.00 52.39 ? 534 GLY A N 1 ATOM 4272 C CA . GLY A 1 534 ? -4.210 -17.131 1.188 1.00 49.37 ? 534 GLY A CA 1 ATOM 4273 C C . GLY A 1 534 ? -4.631 -15.802 1.798 1.00 52.37 ? 534 GLY A C 1 ATOM 4274 O O . GLY A 1 534 ? -5.763 -15.326 1.575 1.00 47.18 ? 534 GLY A O 1 ATOM 4275 N N . VAL A 1 535 ? -3.739 -15.195 2.592 1.00 51.03 ? 535 VAL A N 1 ATOM 4276 C CA . VAL A 1 535 ? -4.124 -13.999 3.370 1.00 48.62 ? 535 VAL A CA 1 ATOM 4277 C C . VAL A 1 535 ? -4.414 -12.848 2.417 1.00 43.73 ? 535 VAL A C 1 ATOM 4278 O O . VAL A 1 535 ? -5.476 -12.207 2.510 1.00 38.95 ? 535 VAL A O 1 ATOM 4279 C CB . VAL A 1 535 ? -3.019 -13.594 4.372 1.00 49.79 ? 535 VAL A CB 1 ATOM 4280 C CG1 . VAL A 1 535 ? -3.225 -12.178 4.904 1.00 47.51 ? 535 VAL A CG1 1 ATOM 4281 C CG2 . VAL A 1 535 ? -2.975 -14.599 5.515 1.00 55.83 ? 535 VAL A CG2 1 ATOM 4282 N N . PHE A 1 536 ? -3.456 -12.587 1.532 1.00 47.09 ? 536 PHE A N 1 ATOM 4283 C CA . PHE A 1 536 ? -3.628 -11.626 0.446 1.00 54.51 ? 536 PHE A CA 1 ATOM 4284 C C . PHE A 1 536 ? -3.430 -12.338 -0.885 1.00 58.99 ? 536 PHE A C 1 ATOM 4285 O O . PHE A 1 536 ? -2.629 -13.272 -0.991 1.00 63.11 ? 536 PHE A O 1 ATOM 4286 C CB . PHE A 1 536 ? -2.603 -10.484 0.545 1.00 55.16 ? 536 PHE A CB 1 ATOM 4287 C CG . PHE A 1 536 ? -2.894 -9.478 1.654 1.00 51.19 ? 536 PHE A CG 1 ATOM 4288 C CD1 . PHE A 1 536 ? -2.196 -9.522 2.863 1.00 54.55 ? 536 PHE A CD1 1 ATOM 4289 C CD2 . PHE A 1 536 ? -3.843 -8.489 1.484 1.00 46.29 ? 536 PHE A CD2 1 ATOM 4290 C CE1 . PHE A 1 536 ? -2.465 -8.612 3.881 1.00 45.89 ? 536 PHE A CE1 1 ATOM 4291 C CE2 . PHE A 1 536 ? -4.112 -7.568 2.487 1.00 51.93 ? 536 PHE A CE2 1 ATOM 4292 C CZ . PHE A 1 536 ? -3.428 -7.631 3.689 1.00 50.99 ? 536 PHE A CZ 1 ATOM 4293 N N . THR A 1 537 ? -4.136 -11.856 -1.907 1.00 55.73 ? 537 THR A N 1 ATOM 4294 C CA . THR A 1 537 ? -3.893 -12.280 -3.293 1.00 55.47 ? 537 THR A CA 1 ATOM 4295 C C . THR A 1 537 ? -2.500 -11.866 -3.749 1.00 56.10 ? 537 THR A C 1 ATOM 4296 O O . THR A 1 537 ? -1.932 -10.914 -3.210 1.00 50.23 ? 537 THR A O 1 ATOM 4297 C CB . THR A 1 537 ? -4.942 -11.662 -4.258 1.00 49.56 ? 537 THR A CB 1 ATOM 4298 O OG1 . THR A 1 537 ? -4.814 -10.234 -4.271 1.00 47.55 ? 537 THR A OG1 1 ATOM 4299 C CG2 . THR A 1 537 ? -6.347 -11.985 -3.798 1.00 45.96 ? 537 THR A CG2 1 ATOM 4300 N N . GLU A 1 538 ? -1.964 -12.563 -4.745 1.00 55.28 ? 538 GLU A N 1 ATOM 4301 C CA . GLU A 1 538 ? -0.672 -12.202 -5.315 1.00 56.02 ? 538 GLU A CA 1 ATOM 4302 C C . GLU A 1 538 ? -0.707 -10.750 -5.780 1.00 60.52 ? 538 GLU A C 1 ATOM 4303 O O . GLU A 1 538 ? 0.249 -9.999 -5.585 1.00 61.20 ? 538 GLU A O 1 ATOM 4304 C CB . GLU A 1 538 ? -0.322 -13.124 -6.483 1.00 65.51 ? 538 GLU A CB 1 ATOM 4305 C CG . GLU A 1 538 ? 0.199 -14.488 -6.062 1.00 68.97 ? 538 GLU A CG 1 ATOM 4306 C CD . GLU A 1 538 ? 0.523 -15.378 -7.246 1.00 70.98 ? 538 GLU A CD 1 ATOM 4307 O OE1 . GLU A 1 538 ? 0.252 -14.966 -8.393 1.00 76.86 ? 538 GLU A OE1 1 ATOM 4308 O OE2 . GLU A 1 538 ? 1.050 -16.490 -7.029 1.00 60.21 ? 538 GLU A OE2 1 ATOM 4309 N N . LYS A 1 539 ? -1.828 -10.356 -6.344 1.00 61.45 ? 539 LYS A N 1 ATOM 4310 C CA . LYS A 1 539 ? -2.008 -9.010 -6.776 1.00 66.47 ? 539 LYS A CA 1 ATOM 4311 C C . LYS A 1 539 ? -1.894 -8.113 -5.569 1.00 67.50 ? 539 LYS A C 1 ATOM 4312 O O . LYS A 1 539 ? -1.087 -7.213 -5.495 1.00 58.50 ? 539 LYS A O 1 ATOM 4313 C CB . LYS A 1 539 ? -3.386 -8.858 -7.385 1.00 78.30 ? 539 LYS A CB 1 ATOM 4314 C CG . LYS A 1 539 ? -3.500 -9.223 -8.862 1.00 81.69 ? 539 LYS A CG 1 ATOM 4315 C CD . LYS A 1 539 ? -4.941 -9.519 -9.309 1.00 87.12 ? 539 LYS A CD 1 ATOM 4316 C CE . LYS A 1 539 ? -5.706 -8.353 -9.944 1.00 88.00 ? 539 LYS A CE 1 ATOM 4317 N NZ . LYS A 1 539 ? -7.092 -8.128 -9.406 1.00 80.81 ? 539 LYS A NZ 1 ATOM 4318 N N . GLN A 1 540 ? -2.746 -8.359 -4.609 1.00 62.83 ? 540 GLN A N 1 ATOM 4319 C CA . GLN A 1 540 ? -2.740 -7.549 -3.410 1.00 59.97 ? 540 GLN A CA 1 ATOM 4320 C C . GLN A 1 540 ? -1.314 -7.415 -2.897 1.00 57.51 ? 540 GLN A C 1 ATOM 4321 O O . GLN A 1 540 ? -0.833 -6.309 -2.684 1.00 57.61 ? 540 GLN A O 1 ATOM 4322 C CB . GLN A 1 540 ? -3.659 -8.146 -2.361 1.00 64.79 ? 540 GLN A CB 1 ATOM 4323 C CG . GLN A 1 540 ? -5.126 -7.831 -2.630 1.00 63.27 ? 540 GLN A CG 1 ATOM 4324 C CD . GLN A 1 540 ? -6.062 -8.625 -1.726 1.00 61.52 ? 540 GLN A CD 1 ATOM 4325 O OE1 . GLN A 1 540 ? -5.671 -9.636 -1.160 1.00 59.67 ? 540 GLN A OE1 1 ATOM 4326 N NE2 . GLN A 1 540 ? -7.297 -8.168 -1.596 1.00 56.99 ? 540 GLN A NE2 1 ATOM 4327 N N . ARG A 1 541 ? -0.617 -8.534 -2.751 1.00 59.42 ? 541 ARG A N 1 ATOM 4328 C CA . ARG A 1 541 ? 0.789 -8.512 -2.314 1.00 60.03 ? 541 ARG A CA 1 ATOM 4329 C C . ARG A 1 541 ? 1.743 -7.759 -3.239 1.00 58.45 ? 541 ARG A C 1 ATOM 4330 O O . ARG A 1 541 ? 2.816 -7.347 -2.813 1.00 59.02 ? 541 ARG A O 1 ATOM 4331 C CB . ARG A 1 541 ? 1.335 -9.928 -2.094 1.00 60.09 ? 541 ARG A CB 1 ATOM 4332 C CG . ARG A 1 541 ? 0.604 -10.747 -1.044 1.00 62.82 ? 541 ARG A CG 1 ATOM 4333 C CD . ARG A 1 541 ? 1.464 -11.904 -0.540 1.00 65.26 ? 541 ARG A CD 1 ATOM 4334 N NE . ARG A 1 541 ? 1.797 -12.903 -1.564 1.00 67.89 ? 541 ARG A NE 1 ATOM 4335 C CZ . ARG A 1 541 ? 0.973 -13.860 -2.011 1.00 71.16 ? 541 ARG A CZ 1 ATOM 4336 N NH1 . ARG A 1 541 ? -0.282 -13.960 -1.558 1.00 68.72 ? 541 ARG A NH1 1 ATOM 4337 N NH2 . ARG A 1 541 ? 1.410 -14.728 -2.928 1.00 68.76 ? 541 ARG A NH2 1 ATOM 4338 N N . ASP A 1 542 ? 1.397 -7.584 -4.501 1.00 64.12 ? 542 ASP A N 1 ATOM 4339 C CA . ASP A 1 542 ? 2.238 -6.749 -5.359 1.00 68.38 ? 542 ASP A CA 1 ATOM 4340 C C . ASP A 1 542 ? 2.057 -5.247 -5.026 1.00 68.11 ? 542 ASP A C 1 ATOM 4341 O O . ASP A 1 542 ? 2.992 -4.455 -5.199 1.00 65.76 ? 542 ASP A O 1 ATOM 4342 C CB . ASP A 1 542 ? 1.946 -7.014 -6.841 1.00 75.22 ? 542 ASP A CB 1 ATOM 4343 C CG . ASP A 1 542 ? 2.258 -8.443 -7.262 1.00 72.50 ? 542 ASP A CG 1 ATOM 4344 O OD1 . ASP A 1 542 ? 3.350 -8.962 -6.949 1.00 70.03 ? 542 ASP A OD1 1 ATOM 4345 O OD2 . ASP A 1 542 ? 1.395 -9.048 -7.924 1.00 78.93 ? 542 ASP A OD2 1 ATOM 4346 N N . SER A 1 543 ? 0.867 -4.871 -4.543 1.00 62.72 ? 543 SER A N 1 ATOM 4347 C CA . SER A 1 543 ? 0.581 -3.485 -4.101 1.00 63.20 ? 543 SER A CA 1 ATOM 4348 C C . SER A 1 543 ? 1.197 -3.119 -2.722 1.00 60.59 ? 543 SER A C 1 ATOM 4349 O O . SER A 1 543 ? 1.717 -2.012 -2.538 1.00 44.69 ? 543 SER A O 1 ATOM 4350 C CB . SER A 1 543 ? -0.937 -3.234 -4.035 1.00 61.98 ? 543 SER A CB 1 ATOM 4351 O OG . SER A 1 543 ? -1.523 -3.091 -5.321 1.00 66.83 ? 543 SER A OG 1 ATOM 4352 N N . LEU A 1 544 ? 1.084 -4.045 -1.764 1.00 59.56 ? 544 LEU A N 1 ATOM 4353 C CA . LEU A 1 544 ? 1.570 -3.859 -0.378 1.00 50.68 ? 544 LEU A CA 1 ATOM 4354 C C . LEU A 1 544 ? 3.075 -3.732 -0.297 1.00 49.08 ? 544 LEU A C 1 ATOM 4355 O O . LEU A 1 544 ? 3.583 -2.994 0.555 1.00 54.70 ? 544 LEU A O 1 ATOM 4356 C CB . LEU A 1 544 ? 1.139 -5.042 0.491 1.00 48.16 ? 544 LEU A CB 1 ATOM 4357 C CG . LEU A 1 544 ? -0.362 -5.129 0.685 1.00 48.46 ? 544 LEU A CG 1 ATOM 4358 C CD1 . LEU A 1 544 ? -0.756 -6.442 1.343 1.00 51.77 ? 544 LEU A CD1 1 ATOM 4359 C CD2 . LEU A 1 544 ? -0.891 -3.922 1.458 1.00 42.58 ? 544 LEU A CD2 1 ATOM 4360 N N . GLN A 1 545 ? 3.778 -4.420 -1.195 1.00 47.69 ? 545 GLN A N 1 ATOM 4361 C CA . GLN A 1 545 ? 5.236 -4.375 -1.236 1.00 50.63 ? 545 GLN A CA 1 ATOM 4362 C C . GLN A 1 545 ? 5.800 -3.023 -1.601 1.00 49.11 ? 545 GLN A C 1 ATOM 4363 O O . GLN A 1 545 ? 7.013 -2.850 -1.572 1.00 58.82 ? 545 GLN A O 1 ATOM 4364 C CB . GLN A 1 545 ? 5.838 -5.436 -2.176 1.00 52.33 ? 545 GLN A CB 1 ATOM 4365 C CG . GLN A 1 545 ? 7.314 -5.715 -1.880 1.00 56.93 ? 545 GLN A CG 1 ATOM 4366 C CD . GLN A 1 545 ? 7.658 -7.193 -1.712 1.00 66.26 ? 545 GLN A CD 1 ATOM 4367 O OE1 . GLN A 1 545 ? 6.994 -7.929 -0.970 1.00 60.94 ? 545 GLN A OE1 1 ATOM 4368 N NE2 . GLN A 1 545 ? 8.724 -7.640 -2.399 1.00 75.07 ? 545 GLN A NE2 1 ATOM 4369 N N . LYS A 1 546 ? 4.954 -2.072 -1.974 1.00 53.05 ? 546 LYS A N 1 ATOM 4370 C CA . LYS A 1 546 ? 5.454 -0.735 -2.307 1.00 56.48 ? 546 LYS A CA 1 ATOM 4371 C C . LYS A 1 546 ? 5.216 0.284 -1.186 1.00 54.59 ? 546 LYS A C 1 ATOM 4372 O O . LYS A 1 546 ? 5.684 1.426 -1.295 1.00 51.00 ? 546 LYS A O 1 ATOM 4373 C CB . LYS A 1 546 ? 4.830 -0.250 -3.611 1.00 61.70 ? 546 LYS A CB 1 ATOM 4374 C CG . LYS A 1 546 ? 5.435 -0.887 -4.854 1.00 63.21 ? 546 LYS A CG 1 ATOM 4375 C CD . LYS A 1 546 ? 4.410 -0.957 -5.993 1.00 69.92 ? 546 LYS A CD 1 ATOM 4376 C CE . LYS A 1 546 ? 4.971 -0.502 -7.344 1.00 74.83 ? 546 LYS A CE 1 ATOM 4377 N NZ . LYS A 1 546 ? 6.281 -1.127 -7.704 1.00 74.39 ? 546 LYS A NZ 1 ATOM 4378 N N . MET A 1 547 ? 4.509 -0.124 -0.113 1.00 50.93 ? 547 MET A N 1 ATOM 4379 C CA . MET A 1 547 ? 4.218 0.790 0.992 1.00 48.56 ? 547 MET A CA 1 ATOM 4380 C C . MET A 1 547 ? 5.542 1.265 1.555 1.00 47.30 ? 547 MET A C 1 ATOM 4381 O O . MET A 1 547 ? 6.567 0.633 1.321 1.00 38.92 ? 547 MET A O 1 ATOM 4382 C CB . MET A 1 547 ? 3.439 0.107 2.106 1.00 52.24 ? 547 MET A CB 1 ATOM 4383 C CG . MET A 1 547 ? 1.984 -0.180 1.817 1.00 48.31 ? 547 MET A CG 1 ATOM 4384 S SD . MET A 1 547 ? 1.352 -1.413 2.981 1.00 52.15 ? 547 MET A SD 1 ATOM 4385 C CE . MET A 1 547 ? -0.322 -0.811 3.005 1.00 50.48 ? 547 MET A CE 1 ATOM 4386 N N . SER A 1 548 ? 5.509 2.391 2.263 1.00 49.04 ? 548 SER A N 1 ATOM 4387 C CA . SER A 1 548 ? 6.721 3.005 2.839 1.00 46.78 ? 548 SER A CA 1 ATOM 4388 C C . SER A 1 548 ? 6.241 3.933 3.938 1.00 46.99 ? 548 SER A C 1 ATOM 4389 O O . SER A 1 548 ? 5.128 4.432 3.898 1.00 45.27 ? 548 SER A O 1 ATOM 4390 C CB . SER A 1 548 ? 7.464 3.838 1.790 1.00 48.29 ? 548 SER A CB 1 ATOM 4391 O OG . SER A 1 548 ? 6.571 4.803 1.235 1.00 48.06 ? 548 SER A OG 1 ATOM 4392 N N . PHE A 1 549 ? 7.067 4.206 4.921 1.00 44.63 ? 549 PHE A N 1 ATOM 4393 C CA . PHE A 1 549 ? 6.647 5.194 5.896 1.00 44.45 ? 549 PHE A CA 1 ATOM 4394 C C . PHE A 1 549 ? 6.542 6.596 5.228 1.00 41.35 ? 549 PHE A C 1 ATOM 4395 O O . PHE A 1 549 ? 5.701 7.416 5.598 1.00 49.12 ? 549 PHE A O 1 ATOM 4396 C CB . PHE A 1 549 ? 7.650 5.266 7.050 1.00 47.66 ? 549 PHE A CB 1 ATOM 4397 C CG . PHE A 1 549 ? 7.047 5.715 8.302 1.00 42.21 ? 549 PHE A CG 1 ATOM 4398 C CD1 . PHE A 1 549 ? 6.617 4.797 9.237 1.00 47.47 ? 549 PHE A CD1 1 ATOM 4399 C CD2 . PHE A 1 549 ? 6.853 7.036 8.531 1.00 46.12 ? 549 PHE A CD2 1 ATOM 4400 C CE1 . PHE A 1 549 ? 6.012 5.216 10.376 1.00 43.03 ? 549 PHE A CE1 1 ATOM 4401 C CE2 . PHE A 1 549 ? 6.261 7.475 9.680 1.00 40.68 ? 549 PHE A CE2 1 ATOM 4402 C CZ . PHE A 1 549 ? 5.835 6.564 10.601 1.00 46.96 ? 549 PHE A CZ 1 ATOM 4403 N N . SER A 1 550 ? 7.461 6.877 4.333 1.00 38.90 ? 550 SER A N 1 ATOM 4404 C CA . SER A 1 550 ? 7.402 8.076 3.486 1.00 46.21 ? 550 SER A CA 1 ATOM 4405 C C . SER A 1 550 ? 5.993 8.275 2.936 1.00 41.43 ? 550 SER A C 1 ATOM 4406 O O . SER A 1 550 ? 5.326 9.277 3.182 1.00 47.23 ? 550 SER A O 1 ATOM 4407 C CB . SER A 1 550 ? 8.390 7.924 2.323 1.00 46.96 ? 550 SER A CB 1 ATOM 4408 O OG . SER A 1 550 ? 9.725 8.126 2.785 1.00 52.14 ? 550 SER A OG 1 ATOM 4409 N N . ARG A 1 551 ? 5.520 7.259 2.244 1.00 42.91 ? 551 ARG A N 1 ATOM 4410 C CA . ARG A 1 551 ? 4.233 7.306 1.644 1.00 41.61 ? 551 ARG A CA 1 ATOM 4411 C C . ARG A 1 551 ? 3.196 7.532 2.736 1.00 46.04 ? 551 ARG A C 1 ATOM 4412 O O . ARG A 1 551 ? 2.209 8.266 2.528 1.00 48.33 ? 551 ARG A O 1 ATOM 4413 C CB . ARG A 1 551 ? 4.008 5.995 0.904 1.00 46.11 ? 551 ARG A CB 1 ATOM 4414 C CG . ARG A 1 551 ? 2.834 5.946 -0.026 1.00 50.15 ? 551 ARG A CG 1 ATOM 4415 C CD . ARG A 1 551 ? 3.057 6.841 -1.239 1.00 50.38 ? 551 ARG A CD 1 ATOM 4416 N NE . ARG A 1 551 ? 2.137 7.949 -1.227 1.00 58.76 ? 551 ARG A NE 1 ATOM 4417 C CZ . ARG A 1 551 ? 2.266 9.029 -1.985 1.00 54.67 ? 551 ARG A CZ 1 ATOM 4418 N NH1 . ARG A 1 551 ? 3.280 9.160 -2.844 1.00 56.92 ? 551 ARG A NH1 1 ATOM 4419 N NH2 . ARG A 1 551 ? 1.369 9.973 -1.865 1.00 50.36 ? 551 ARG A NH2 1 ATOM 4420 N N . LEU A 1 552 ? 3.374 6.910 3.903 1.00 43.88 ? 552 LEU A N 1 ATOM 4421 C CA . LEU A 1 552 ? 2.388 7.109 4.958 1.00 43.04 ? 552 LEU A CA 1 ATOM 4422 C C . LEU A 1 552 ? 2.378 8.589 5.328 1.00 40.99 ? 552 LEU A C 1 ATOM 4423 O O . LEU A 1 552 ? 1.327 9.158 5.573 1.00 39.88 ? 552 LEU A O 1 ATOM 4424 C CB . LEU A 1 552 ? 2.666 6.258 6.206 1.00 49.87 ? 552 LEU A CB 1 ATOM 4425 C CG . LEU A 1 552 ? 1.796 6.528 7.460 1.00 50.58 ? 552 LEU A CG 1 ATOM 4426 C CD1 . LEU A 1 552 ? 0.548 5.663 7.388 1.00 56.40 ? 552 LEU A CD1 1 ATOM 4427 C CD2 . LEU A 1 552 ? 2.536 6.260 8.774 1.00 51.68 ? 552 LEU A CD2 1 ATOM 4428 N N . ILE A 1 553 ? 3.557 9.207 5.384 1.00 40.58 ? 553 ILE A N 1 ATOM 4429 C CA . ILE A 1 553 ? 3.615 10.615 5.741 1.00 43.08 ? 553 ILE A CA 1 ATOM 4430 C C . ILE A 1 553 ? 2.811 11.420 4.692 1.00 37.60 ? 553 ILE A C 1 ATOM 4431 O O . ILE A 1 553 ? 1.871 12.175 5.043 1.00 42.60 ? 553 ILE A O 1 ATOM 4432 C CB . ILE A 1 553 ? 5.064 11.069 5.903 1.00 39.85 ? 553 ILE A CB 1 ATOM 4433 C CG1 . ILE A 1 553 ? 5.654 10.453 7.184 1.00 43.27 ? 553 ILE A CG1 1 ATOM 4434 C CG2 . ILE A 1 553 ? 5.156 12.567 6.070 1.00 42.42 ? 553 ILE A CG2 1 ATOM 4435 C CD1 . ILE A 1 553 ? 7.166 10.476 7.295 1.00 37.75 ? 553 ILE A CD1 1 ATOM 4436 N N . CYS A 1 554 ? 3.101 11.161 3.431 1.00 37.99 ? 554 CYS A N 1 ATOM 4437 C CA . CYS A 1 554 ? 2.495 11.978 2.340 1.00 45.45 ? 554 CYS A CA 1 ATOM 4438 C C . CYS A 1 554 ? 0.996 11.978 2.391 1.00 39.73 ? 554 CYS A C 1 ATOM 4439 O O . CYS A 1 554 ? 0.377 13.022 2.334 1.00 48.80 ? 554 CYS A O 1 ATOM 4440 C CB . CYS A 1 554 ? 2.910 11.473 0.979 1.00 43.98 ? 554 CYS A CB 1 ATOM 4441 S SG . CYS A 1 554 ? 4.660 11.606 0.672 1.00 49.06 ? 554 CYS A SG 1 ATOM 4442 N N . ASP A 1 555 ? 0.405 10.809 2.585 1.00 47.39 ? 555 ASP A N 1 ATOM 4443 C CA . ASP A 1 555 ? -1.025 10.637 2.414 1.00 43.87 ? 555 ASP A CA 1 ATOM 4444 C C . ASP A 1 555 ? -1.802 11.044 3.627 1.00 52.22 ? 555 ASP A C 1 ATOM 4445 O O . ASP A 1 555 ? -3.042 11.033 3.596 1.00 54.36 ? 555 ASP A O 1 ATOM 4446 C CB . ASP A 1 555 ? -1.360 9.182 2.122 1.00 54.16 ? 555 ASP A CB 1 ATOM 4447 C CG . ASP A 1 555 ? -0.800 8.700 0.831 1.00 53.23 ? 555 ASP A CG 1 ATOM 4448 O OD1 . ASP A 1 555 ? -0.439 9.543 -0.021 1.00 55.75 ? 555 ASP A OD1 1 ATOM 4449 O OD2 . ASP A 1 555 ? -0.743 7.468 0.675 1.00 52.39 ? 555 ASP A OD2 1 ATOM 4450 N N . ASN A 1 556 ? -1.104 11.384 4.705 1.00 52.88 ? 556 ASN A N 1 ATOM 4451 C CA . ASN A 1 556 ? -1.774 11.653 5.961 1.00 50.69 ? 556 ASN A CA 1 ATOM 4452 C C . ASN A 1 556 ? -1.279 12.897 6.682 1.00 52.96 ? 556 ASN A C 1 ATOM 4453 O O . ASN A 1 556 ? -1.631 13.119 7.846 1.00 48.87 ? 556 ASN A O 1 ATOM 4454 C CB . ASN A 1 556 ? -1.619 10.445 6.867 1.00 51.97 ? 556 ASN A CB 1 ATOM 4455 C CG . ASN A 1 556 ? -2.364 9.250 6.362 1.00 51.79 ? 556 ASN A CG 1 ATOM 4456 O OD1 . ASN A 1 556 ? -3.573 9.292 6.153 1.00 43.71 ? 556 ASN A OD1 1 ATOM 4457 N ND2 . ASN A 1 556 ? -1.649 8.153 6.191 1.00 59.92 ? 556 ASN A ND2 1 ATOM 4458 N N . THR A 1 557 ? -0.484 13.711 5.982 1.00 52.06 ? 557 THR A N 1 ATOM 4459 C CA . THR A 1 557 ? -0.049 15.012 6.486 1.00 47.12 ? 557 THR A CA 1 ATOM 4460 C C . THR A 1 557 ? -0.073 15.997 5.321 1.00 54.99 ? 557 THR A C 1 ATOM 4461 O O . THR A 1 557 ? -0.422 15.626 4.202 1.00 54.64 ? 557 THR A O 1 ATOM 4462 C CB . THR A 1 557 ? 1.393 14.941 7.010 1.00 46.90 ? 557 THR A CB 1 ATOM 4463 O OG1 . THR A 1 557 ? 2.307 14.613 5.935 1.00 50.16 ? 557 THR A OG1 1 ATOM 4464 C CG2 . THR A 1 557 ? 1.495 13.884 8.126 1.00 48.21 ? 557 THR A CG2 1 ATOM 4465 N N . HIS A 1 558 ? 0.360 17.225 5.559 1.00 54.79 ? 558 HIS A N 1 ATOM 4466 C CA . HIS A 1 558 ? 0.625 18.130 4.453 1.00 58.62 ? 558 HIS A CA 1 ATOM 4467 C C . HIS A 1 558 ? 2.117 18.291 4.245 1.00 63.35 ? 558 HIS A C 1 ATOM 4468 O O . HIS A 1 558 ? 2.567 19.338 3.781 1.00 55.84 ? 558 HIS A O 1 ATOM 4469 C CB . HIS A 1 558 ? -0.072 19.453 4.696 1.00 55.30 ? 558 HIS A CB 1 ATOM 4470 C CG . HIS A 1 558 ? -1.556 19.325 4.667 1.00 59.30 ? 558 HIS A CG 1 ATOM 4471 N ND1 . HIS A 1 558 ? -2.354 19.622 5.751 1.00 56.34 ? 558 HIS A ND1 1 ATOM 4472 C CD2 . HIS A 1 558 ? -2.388 18.880 3.693 1.00 59.85 ? 558 HIS A CD2 1 ATOM 4473 C CE1 . HIS A 1 558 ? -3.620 19.400 5.434 1.00 56.05 ? 558 HIS A CE1 1 ATOM 4474 N NE2 . HIS A 1 558 ? -3.667 18.938 4.198 1.00 57.71 ? 558 HIS A NE2 1 ATOM 4475 N N . ILE A 1 559 ? 2.883 17.247 4.577 1.00 60.89 ? 559 ILE A N 1 ATOM 4476 C CA . ILE A 1 559 ? 4.286 17.201 4.181 1.00 58.83 ? 559 ILE A CA 1 ATOM 4477 C C . ILE A 1 559 ? 4.246 16.742 2.759 1.00 52.47 ? 559 ILE A C 1 ATOM 4478 O O . ILE A 1 559 ? 3.539 15.799 2.450 1.00 53.44 ? 559 ILE A O 1 ATOM 4479 C CB . ILE A 1 559 ? 5.156 16.201 4.992 1.00 61.51 ? 559 ILE A CB 1 ATOM 4480 C CG1 . ILE A 1 559 ? 4.943 16.337 6.511 1.00 60.71 ? 559 ILE A CG1 1 ATOM 4481 C CG2 . ILE A 1 559 ? 6.625 16.377 4.652 1.00 59.39 ? 559 ILE A CG2 1 ATOM 4482 C CD1 . ILE A 1 559 ? 4.482 17.693 6.959 1.00 62.15 ? 559 ILE A CD1 1 ATOM 4483 N N . THR A 1 560 ? 4.997 17.430 1.903 1.00 53.25 ? 560 THR A N 1 ATOM 4484 C CA . THR A 1 560 ? 5.095 17.121 0.482 1.00 48.34 ? 560 THR A CA 1 ATOM 4485 C C . THR A 1 560 ? 6.531 16.895 0.096 1.00 48.46 ? 560 THR A C 1 ATOM 4486 O O . THR A 1 560 ? 6.852 16.811 -1.082 1.00 54.03 ? 560 THR A O 1 ATOM 4487 C CB . THR A 1 560 ? 4.570 18.303 -0.381 1.00 52.19 ? 560 THR A CB 1 ATOM 4488 O OG1 . THR A 1 560 ? 5.378 19.461 -0.162 1.00 53.51 ? 560 THR A OG1 1 ATOM 4489 C CG2 . THR A 1 560 ? 3.151 18.644 -0.023 1.00 49.57 ? 560 THR A CG2 1 ATOM 4490 N N . LYS A 1 561 ? 7.415 16.847 1.083 1.00 50.32 ? 561 LYS A N 1 ATOM 4491 C CA . LYS A 1 561 ? 8.808 16.504 0.840 1.00 51.91 ? 561 LYS A CA 1 ATOM 4492 C C . LYS A 1 561 ? 9.394 15.549 1.922 1.00 52.73 ? 561 LYS A C 1 ATOM 4493 O O . LYS A 1 561 ? 9.462 15.883 3.088 1.00 38.46 ? 561 LYS A O 1 ATOM 4494 C CB . LYS A 1 561 ? 9.608 17.774 0.721 1.00 56.92 ? 561 LYS A CB 1 ATOM 4495 C CG . LYS A 1 561 ? 9.298 18.521 -0.576 1.00 60.55 ? 561 LYS A CG 1 ATOM 4496 C CD . LYS A 1 561 ? 10.215 19.717 -0.774 1.00 65.60 ? 561 LYS A CD 1 ATOM 4497 C CE . LYS A 1 561 ? 9.580 21.015 -0.289 1.00 66.56 ? 561 LYS A CE 1 ATOM 4498 N NZ . LYS A 1 561 ? 9.007 20.950 1.077 1.00 68.33 ? 561 LYS A NZ 1 ATOM 4499 N N . VAL A 1 562 ? 9.816 14.365 1.484 1.00 53.45 ? 562 VAL A N 1 ATOM 4500 C CA . VAL A 1 562 ? 10.203 13.270 2.366 1.00 55.65 ? 562 VAL A CA 1 ATOM 4501 C C . VAL A 1 562 ? 11.394 12.555 1.791 1.00 50.98 ? 562 VAL A C 1 ATOM 4502 O O . VAL A 1 562 ? 11.636 12.669 0.592 1.00 51.90 ? 562 VAL A O 1 ATOM 4503 C CB . VAL A 1 562 ? 9.070 12.237 2.452 1.00 55.83 ? 562 VAL A CB 1 ATOM 4504 C CG1 . VAL A 1 562 ? 7.780 12.896 2.870 1.00 49.40 ? 562 VAL A CG1 1 ATOM 4505 C CG2 . VAL A 1 562 ? 8.867 11.543 1.103 1.00 60.04 ? 562 VAL A CG2 1 ATOM 4506 N N . PRO A 1 563 ? 12.154 11.821 2.627 1.00 47.42 ? 563 PRO A N 1 ATOM 4507 C CA . PRO A 1 563 ? 13.173 10.948 2.061 1.00 44.42 ? 563 PRO A CA 1 ATOM 4508 C C . PRO A 1 563 ? 12.581 9.648 1.579 1.00 42.48 ? 563 PRO A C 1 ATOM 4509 O O . PRO A 1 563 ? 11.434 9.322 1.866 1.00 48.70 ? 563 PRO A O 1 ATOM 4510 C CB . PRO A 1 563 ? 14.095 10.653 3.241 1.00 46.21 ? 563 PRO A CB 1 ATOM 4511 C CG . PRO A 1 563 ? 13.195 10.768 4.439 1.00 46.72 ? 563 PRO A CG 1 ATOM 4512 C CD . PRO A 1 563 ? 12.150 11.783 4.101 1.00 48.73 ? 563 PRO A CD 1 ATOM 4513 N N . LEU A 1 564 ? 13.382 8.901 0.860 1.00 47.03 ? 564 LEU A N 1 ATOM 4514 C CA . LEU A 1 564 ? 12.950 7.636 0.315 1.00 48.97 ? 564 LEU A CA 1 ATOM 4515 C C . LEU A 1 564 ? 13.163 6.564 1.393 1.00 47.94 ? 564 LEU A C 1 ATOM 4516 O O . LEU A 1 564 ? 12.362 5.658 1.507 1.00 47.80 ? 564 LEU A O 1 ATOM 4517 C CB . LEU A 1 564 ? 13.735 7.319 -0.981 1.00 53.28 ? 564 LEU A CB 1 ATOM 4518 C CG . LEU A 1 564 ? 13.088 7.629 -2.359 1.00 56.18 ? 564 LEU A CG 1 ATOM 4519 C CD1 . LEU A 1 564 ? 12.332 8.924 -2.330 1.00 53.23 ? 564 LEU A CD1 1 ATOM 4520 C CD2 . LEU A 1 564 ? 14.083 7.624 -3.546 1.00 56.96 ? 564 LEU A CD2 1 ATOM 4521 N N . HIS A 1 565 ? 14.222 6.707 2.199 1.00 45.46 ? 565 HIS A N 1 ATOM 4522 C CA . HIS A 1 565 ? 14.606 5.707 3.205 1.00 40.30 ? 565 HIS A CA 1 ATOM 4523 C C . HIS A 1 565 ? 14.533 6.408 4.571 1.00 39.70 ? 565 HIS A C 1 ATOM 4524 O O . HIS A 1 565 ? 15.508 6.905 5.063 1.00 36.24 ? 565 HIS A O 1 ATOM 4525 C CB . HIS A 1 565 ? 15.998 5.205 2.861 1.00 45.77 ? 565 HIS A CB 1 ATOM 4526 C CG . HIS A 1 565 ? 16.172 4.851 1.407 1.00 51.97 ? 565 HIS A CG 1 ATOM 4527 N ND1 . HIS A 1 565 ? 15.696 3.676 0.857 1.00 52.67 ? 565 HIS A ND1 1 ATOM 4528 C CD2 . HIS A 1 565 ? 16.758 5.524 0.386 1.00 55.95 ? 565 HIS A CD2 1 ATOM 4529 C CE1 . HIS A 1 565 ? 15.959 3.649 -0.436 1.00 50.28 ? 565 HIS A CE1 1 ATOM 4530 N NE2 . HIS A 1 565 ? 16.618 4.751 -0.746 1.00 55.44 ? 565 HIS A NE2 1 ATOM 4531 N N . ALA A 1 566 ? 13.330 6.484 5.135 1.00 37.01 ? 566 ALA A N 1 ATOM 4532 C CA . ALA A 1 566 ? 13.030 7.341 6.269 1.00 36.31 ? 566 ALA A CA 1 ATOM 4533 C C . ALA A 1 566 ? 13.721 6.966 7.566 1.00 37.70 ? 566 ALA A C 1 ATOM 4534 O O . ALA A 1 566 ? 13.912 7.803 8.438 1.00 40.22 ? 566 ALA A O 1 ATOM 4535 C CB . ALA A 1 566 ? 11.535 7.387 6.493 1.00 37.14 ? 566 ALA A CB 1 ATOM 4536 N N . PHE A 1 567 ? 14.119 5.730 7.702 1.00 37.41 ? 567 PHE A N 1 ATOM 4537 C CA . PHE A 1 567 ? 14.813 5.343 8.918 1.00 42.29 ? 567 PHE A CA 1 ATOM 4538 C C . PHE A 1 567 ? 16.241 5.777 8.916 1.00 41.14 ? 567 PHE A C 1 ATOM 4539 O O . PHE A 1 567 ? 16.825 5.900 9.979 1.00 40.02 ? 567 PHE A O 1 ATOM 4540 C CB . PHE A 1 567 ? 14.768 3.833 9.149 1.00 41.11 ? 567 PHE A CB 1 ATOM 4541 C CG . PHE A 1 567 ? 13.423 3.352 9.465 1.00 47.79 ? 567 PHE A CG 1 ATOM 4542 C CD1 . PHE A 1 567 ? 12.781 3.817 10.592 1.00 53.36 ? 567 PHE A CD1 1 ATOM 4543 C CD2 . PHE A 1 567 ? 12.784 2.463 8.658 1.00 50.76 ? 567 PHE A CD2 1 ATOM 4544 C CE1 . PHE A 1 567 ? 11.524 3.395 10.912 1.00 50.91 ? 567 PHE A CE1 1 ATOM 4545 C CE2 . PHE A 1 567 ? 11.525 2.018 8.992 1.00 55.32 ? 567 PHE A CE2 1 ATOM 4546 C CZ . PHE A 1 567 ? 10.888 2.506 10.111 1.00 51.13 ? 567 PHE A CZ 1 ATOM 4547 N N . GLN A 1 568 ? 16.845 5.992 7.762 1.00 40.70 ? 568 GLN A N 1 ATOM 4548 C CA . GLN A 1 568 ? 18.220 6.410 7.836 1.00 44.56 ? 568 GLN A CA 1 ATOM 4549 C C . GLN A 1 568 ? 18.288 7.888 8.214 1.00 39.99 ? 568 GLN A C 1 ATOM 4550 O O . GLN A 1 568 ? 17.266 8.556 8.325 1.00 42.15 ? 568 GLN A O 1 ATOM 4551 C CB . GLN A 1 568 ? 19.047 6.016 6.593 1.00 53.91 ? 568 GLN A CB 1 ATOM 4552 C CG . GLN A 1 568 ? 18.613 6.588 5.259 1.00 61.97 ? 568 GLN A CG 1 ATOM 4553 C CD . GLN A 1 568 ? 19.756 6.630 4.237 1.00 72.80 ? 568 GLN A CD 1 ATOM 4554 O OE1 . GLN A 1 568 ? 19.764 5.886 3.240 1.00 73.64 ? 568 GLN A OE1 1 ATOM 4555 N NE2 . GLN A 1 568 ? 20.733 7.506 4.486 1.00 76.50 ? 568 GLN A NE2 1 ATOM 4556 N N . ALA A 1 569 ? 19.489 8.365 8.521 1.00 40.49 ? 569 ALA A N 1 ATOM 4557 C CA . ALA A 1 569 ? 19.703 9.766 8.800 1.00 42.73 ? 569 ALA A CA 1 ATOM 4558 C C . ALA A 1 569 ? 19.621 10.534 7.475 1.00 45.65 ? 569 ALA A C 1 ATOM 4559 O O . ALA A 1 569 ? 20.333 10.197 6.506 1.00 47.34 ? 569 ALA A O 1 ATOM 4560 C CB . ALA A 1 569 ? 21.051 9.997 9.446 1.00 43.51 ? 569 ALA A CB 1 ATOM 4561 N N . ASN A 1 570 ? 18.748 11.537 7.436 1.00 40.77 ? 570 ASN A N 1 ATOM 4562 C CA . ASN A 1 570 ? 18.466 12.275 6.186 1.00 44.23 ? 570 ASN A CA 1 ATOM 4563 C C . ASN A 1 570 ? 18.429 13.776 6.447 1.00 43.67 ? 570 ASN A C 1 ATOM 4564 O O . ASN A 1 570 ? 17.828 14.223 7.421 1.00 41.45 ? 570 ASN A O 1 ATOM 4565 C CB . ASN A 1 570 ? 17.128 11.817 5.549 1.00 38.84 ? 570 ASN A CB 1 ATOM 4566 C CG . ASN A 1 570 ? 17.182 10.394 5.000 1.00 44.34 ? 570 ASN A CG 1 ATOM 4567 O OD1 . ASN A 1 570 ? 16.461 9.495 5.468 1.00 40.69 ? 570 ASN A OD1 1 ATOM 4568 N ND2 . ASN A 1 570 ? 18.043 10.172 3.998 1.00 46.37 ? 570 ASN A ND2 1 ATOM 4569 N N . ASN A 1 571 ? 19.068 14.549 5.569 1.00 47.42 ? 571 ASN A N 1 ATOM 4570 C CA . ASN A 1 571 ? 19.090 16.009 5.704 1.00 48.28 ? 571 ASN A CA 1 ATOM 4571 C C . ASN A 1 571 ? 18.393 16.677 4.519 1.00 51.62 ? 571 ASN A C 1 ATOM 4572 O O . ASN A 1 571 ? 18.449 16.199 3.363 1.00 49.43 ? 571 ASN A O 1 ATOM 4573 C CB . ASN A 1 571 ? 20.514 16.534 5.781 1.00 49.42 ? 571 ASN A CB 1 ATOM 4574 C CG . ASN A 1 571 ? 21.320 15.875 6.870 1.00 54.77 ? 571 ASN A CG 1 ATOM 4575 O OD1 . ASN A 1 571 ? 20.803 15.522 7.921 1.00 54.41 ? 571 ASN A OD1 1 ATOM 4576 N ND2 . ASN A 1 571 ? 22.604 15.704 6.619 1.00 60.37 ? 571 ASN A ND2 1 ATOM 4577 N N . TYR A 1 572 ? 17.724 17.780 4.836 1.00 52.97 ? 572 TYR A N 1 ATOM 4578 C CA . TYR A 1 572 ? 16.872 18.504 3.893 1.00 54.50 ? 572 TYR A CA 1 ATOM 4579 C C . TYR A 1 572 ? 17.745 19.606 3.329 1.00 49.19 ? 572 TYR A C 1 ATOM 4580 O O . TYR A 1 572 ? 18.578 20.131 4.046 1.00 45.91 ? 572 TYR A O 1 ATOM 4581 C CB . TYR A 1 572 ? 15.655 19.064 4.626 1.00 55.80 ? 572 TYR A CB 1 ATOM 4582 C CG . TYR A 1 572 ? 14.706 19.931 3.823 1.00 59.18 ? 572 TYR A CG 1 ATOM 4583 C CD1 . TYR A 1 572 ? 13.758 19.367 2.986 1.00 66.31 ? 572 TYR A CD1 1 ATOM 4584 C CD2 . TYR A 1 572 ? 14.730 21.319 3.934 1.00 63.61 ? 572 TYR A CD2 1 ATOM 4585 C CE1 . TYR A 1 572 ? 12.875 20.154 2.257 1.00 68.91 ? 572 TYR A CE1 1 ATOM 4586 C CE2 . TYR A 1 572 ? 13.839 22.118 3.221 1.00 64.88 ? 572 TYR A CE2 1 ATOM 4587 C CZ . TYR A 1 572 ? 12.915 21.534 2.375 1.00 67.26 ? 572 TYR A CZ 1 ATOM 4588 O OH . TYR A 1 572 ? 12.004 22.312 1.676 1.00 56.73 ? 572 TYR A OH 1 ATOM 4589 N N . PRO A 1 573 ? 17.597 19.925 2.040 1.00 50.50 ? 573 PRO A N 1 ATOM 4590 C CA . PRO A 1 573 ? 16.743 19.276 1.033 1.00 51.56 ? 573 PRO A CA 1 ATOM 4591 C C . PRO A 1 573 ? 17.409 18.121 0.238 1.00 53.32 ? 573 PRO A C 1 ATOM 4592 O O . PRO A 1 573 ? 16.742 17.456 -0.565 1.00 51.00 ? 573 PRO A O 1 ATOM 4593 C CB . PRO A 1 573 ? 16.397 20.430 0.086 1.00 54.39 ? 573 PRO A CB 1 ATOM 4594 C CG . PRO A 1 573 ? 17.557 21.357 0.194 1.00 55.41 ? 573 PRO A CG 1 ATOM 4595 C CD . PRO A 1 573 ? 18.041 21.265 1.616 1.00 52.59 ? 573 PRO A CD 1 ATOM 4596 N N . HIS A 1 574 ? 18.687 17.861 0.469 1.00 49.33 ? 574 HIS A N 1 ATOM 4597 C CA . HIS A 1 574 ? 19.413 16.924 -0.373 1.00 52.61 ? 574 HIS A CA 1 ATOM 4598 C C . HIS A 1 574 ? 18.776 15.543 -0.347 1.00 53.99 ? 574 HIS A C 1 ATOM 4599 O O . HIS A 1 574 ? 18.456 14.981 -1.382 1.00 55.69 ? 574 HIS A O 1 ATOM 4600 C CB . HIS A 1 574 ? 20.869 16.847 0.057 1.00 55.20 ? 574 HIS A CB 1 ATOM 4601 C CG . HIS A 1 574 ? 21.686 15.894 -0.759 1.00 74.81 ? 574 HIS A CG 1 ATOM 4602 N ND1 . HIS A 1 574 ? 21.323 15.490 -2.030 1.00 85.48 ? 574 HIS A ND1 1 ATOM 4603 C CD2 . HIS A 1 574 ? 22.866 15.281 -0.497 1.00 79.68 ? 574 HIS A CD2 1 ATOM 4604 C CE1 . HIS A 1 574 ? 22.234 14.659 -2.507 1.00 83.54 ? 574 HIS A CE1 1 ATOM 4605 N NE2 . HIS A 1 574 ? 23.182 14.519 -1.597 1.00 84.32 ? 574 HIS A NE2 1 ATOM 4606 N N . ASP A 1 575 ? 18.562 15.003 0.846 1.00 52.67 ? 575 ASP A N 1 ATOM 4607 C CA . ASP A 1 575 ? 18.036 13.651 0.962 1.00 51.57 ? 575 ASP A CA 1 ATOM 4608 C C . ASP A 1 575 ? 16.533 13.602 0.779 1.00 47.89 ? 575 ASP A C 1 ATOM 4609 O O . ASP A 1 575 ? 15.988 12.516 0.751 1.00 50.23 ? 575 ASP A O 1 ATOM 4610 C CB . ASP A 1 575 ? 18.461 13.022 2.302 1.00 46.58 ? 575 ASP A CB 1 ATOM 4611 C CG . ASP A 1 575 ? 19.945 13.000 2.436 1.00 47.08 ? 575 ASP A CG 1 ATOM 4612 O OD1 . ASP A 1 575 ? 20.550 12.630 1.423 1.00 49.13 ? 575 ASP A OD1 1 ATOM 4613 O OD2 . ASP A 1 575 ? 20.508 13.431 3.471 1.00 43.35 ? 575 ASP A OD2 1 ATOM 4614 N N . PHE A 1 576 ? 15.878 14.757 0.616 1.00 47.32 ? 576 PHE A N 1 ATOM 4615 C CA . PHE A 1 576 ? 14.418 14.814 0.456 1.00 45.18 ? 576 PHE A CA 1 ATOM 4616 C C . PHE A 1 576 ? 14.029 14.946 -1.037 1.00 53.37 ? 576 PHE A C 1 ATOM 4617 O O . PHE A 1 576 ? 14.818 15.420 -1.880 1.00 54.91 ? 576 PHE A O 1 ATOM 4618 C CB . PHE A 1 576 ? 13.811 15.921 1.318 1.00 46.12 ? 576 PHE A CB 1 ATOM 4619 C CG . PHE A 1 576 ? 13.815 15.619 2.827 1.00 37.33 ? 576 PHE A CG 1 ATOM 4620 C CD1 . PHE A 1 576 ? 14.985 15.365 3.491 1.00 42.76 ? 576 PHE A CD1 1 ATOM 4621 C CD2 . PHE A 1 576 ? 12.649 15.633 3.543 1.00 41.91 ? 576 PHE A CD2 1 ATOM 4622 C CE1 . PHE A 1 576 ? 14.993 15.102 4.853 1.00 47.01 ? 576 PHE A CE1 1 ATOM 4623 C CE2 . PHE A 1 576 ? 12.628 15.361 4.907 1.00 42.90 ? 576 PHE A CE2 1 ATOM 4624 C CZ . PHE A 1 576 ? 13.804 15.093 5.567 1.00 39.61 ? 576 PHE A CZ 1 ATOM 4625 N N . VAL A 1 577 ? 12.850 14.422 -1.362 1.00 53.91 ? 577 VAL A N 1 ATOM 4626 C CA . VAL A 1 577 ? 12.259 14.529 -2.689 1.00 49.09 ? 577 VAL A CA 1 ATOM 4627 C C . VAL A 1 577 ? 10.798 14.732 -2.460 1.00 49.81 ? 577 VAL A C 1 ATOM 4628 O O . VAL A 1 577 ? 10.355 14.675 -1.316 1.00 39.04 ? 577 VAL A O 1 ATOM 4629 C CB . VAL A 1 577 ? 12.466 13.273 -3.536 1.00 48.23 ? 577 VAL A CB 1 ATOM 4630 C CG1 . VAL A 1 577 ? 13.951 13.090 -3.851 1.00 45.41 ? 577 VAL A CG1 1 ATOM 4631 C CG2 . VAL A 1 577 ? 11.858 12.058 -2.830 1.00 52.52 ? 577 VAL A CG2 1 ATOM 4632 N N . ASP A 1 578 ? 10.067 14.990 -3.545 1.00 51.93 ? 578 ASP A N 1 ATOM 4633 C CA . ASP A 1 578 ? 8.665 15.342 -3.476 1.00 53.99 ? 578 ASP A CA 1 ATOM 4634 C C . ASP A 1 578 ? 7.868 14.070 -3.383 1.00 51.48 ? 578 ASP A C 1 ATOM 4635 O O . ASP A 1 578 ? 8.312 13.041 -3.869 1.00 46.74 ? 578 ASP A O 1 ATOM 4636 C CB . ASP A 1 578 ? 8.229 16.146 -4.733 1.00 59.45 ? 578 ASP A CB 1 ATOM 4637 C CG . ASP A 1 578 ? 6.744 16.571 -4.680 1.00 59.36 ? 578 ASP A CG 1 ATOM 4638 O OD1 . ASP A 1 578 ? 5.909 16.004 -5.414 1.00 62.11 ? 578 ASP A OD1 1 ATOM 4639 O OD2 . ASP A 1 578 ? 6.412 17.447 -3.874 1.00 52.68 ? 578 ASP A OD2 1 ATOM 4640 N N . CYS A 1 579 ? 6.669 14.156 -2.805 1.00 51.82 ? 579 CYS A N 1 ATOM 4641 C CA . CYS A 1 579 ? 5.821 12.992 -2.652 1.00 50.35 ? 579 CYS A CA 1 ATOM 4642 C C . CYS A 1 579 ? 5.474 12.328 -3.982 1.00 53.94 ? 579 CYS A C 1 ATOM 4643 O O . CYS A 1 579 ? 5.206 11.132 -4.024 1.00 50.19 ? 579 CYS A O 1 ATOM 4644 C CB . CYS A 1 579 ? 4.563 13.332 -1.867 1.00 53.61 ? 579 CYS A CB 1 ATOM 4645 S SG . CYS A 1 579 ? 4.847 13.502 -0.088 1.00 54.19 ? 579 CYS A SG 1 ATOM 4646 N N . SER A 1 580 ? 5.528 13.092 -5.073 1.00 54.72 ? 580 SER A N 1 ATOM 4647 C CA . SER A 1 580 ? 5.357 12.538 -6.408 1.00 51.24 ? 580 SER A CA 1 ATOM 4648 C C . SER A 1 580 ? 6.276 11.408 -6.738 1.00 51.50 ? 580 SER A C 1 ATOM 4649 O O . SER A 1 580 ? 5.874 10.479 -7.436 1.00 58.79 ? 580 SER A O 1 ATOM 4650 C CB . SER A 1 580 ? 5.598 13.618 -7.442 1.00 46.33 ? 580 SER A CB 1 ATOM 4651 O OG . SER A 1 580 ? 4.462 14.399 -7.451 1.00 47.10 ? 580 SER A OG 1 ATOM 4652 N N . ALA A 1 581 ? 7.518 11.503 -6.281 1.00 48.18 ? 581 ALA A N 1 ATOM 4653 C CA . ALA A 1 581 ? 8.531 10.516 -6.629 1.00 51.50 ? 581 ALA A CA 1 ATOM 4654 C C . ALA A 1 581 ? 8.427 9.223 -5.819 1.00 53.04 ? 581 ALA A C 1 ATOM 4655 O O . ALA A 1 581 ? 9.176 8.279 -6.087 1.00 49.92 ? 581 ALA A O 1 ATOM 4656 C CB . ALA A 1 581 ? 9.920 11.119 -6.488 1.00 57.73 ? 581 ALA A CB 1 ATOM 4657 N N . VAL A 1 582 ? 7.479 9.191 -4.874 1.00 55.20 ? 582 VAL A N 1 ATOM 4658 C CA . VAL A 1 582 ? 7.387 8.188 -3.806 1.00 57.17 ? 582 VAL A CA 1 ATOM 4659 C C . VAL A 1 582 ? 6.206 7.253 -4.002 1.00 59.26 ? 582 VAL A C 1 ATOM 4660 O O . VAL A 1 582 ? 5.058 7.712 -3.968 1.00 58.41 ? 582 VAL A O 1 ATOM 4661 C CB . VAL A 1 582 ? 7.182 8.888 -2.450 1.00 59.14 ? 582 VAL A CB 1 ATOM 4662 C CG1 . VAL A 1 582 ? 7.007 7.884 -1.295 1.00 58.06 ? 582 VAL A CG1 1 ATOM 4663 C CG2 . VAL A 1 582 ? 8.348 9.827 -2.179 1.00 59.75 ? 582 VAL A CG2 1 ATOM 4664 N N . ASP A 1 583 ? 6.494 5.951 -4.132 1.00 56.45 ? 583 ASP A N 1 ATOM 4665 C CA . ASP A 1 583 ? 5.500 4.953 -4.569 1.00 58.42 ? 583 ASP A CA 1 ATOM 4666 C C . ASP A 1 583 ? 4.243 4.992 -3.778 1.00 56.17 ? 583 ASP A C 1 ATOM 4667 O O . ASP A 1 583 ? 4.288 4.979 -2.549 1.00 57.30 ? 583 ASP A O 1 ATOM 4668 C CB . ASP A 1 583 ? 6.021 3.530 -4.384 1.00 57.58 ? 583 ASP A CB 1 ATOM 4669 C CG . ASP A 1 583 ? 6.808 3.047 -5.548 1.00 55.51 ? 583 ASP A CG 1 ATOM 4670 O OD1 . ASP A 1 583 ? 7.630 3.813 -6.066 1.00 62.36 ? 583 ASP A OD1 1 ATOM 4671 O OD2 . ASP A 1 583 ? 6.606 1.887 -5.944 1.00 58.56 ? 583 ASP A OD2 1 ATOM 4672 N N . LYS A 1 584 ? 3.125 4.916 -4.487 1.00 58.51 ? 584 LYS A N 1 ATOM 4673 C CA . LYS A 1 584 ? 1.820 4.738 -3.862 1.00 55.02 ? 584 LYS A CA 1 ATOM 4674 C C . LYS A 1 584 ? 1.400 3.277 -3.602 1.00 51.72 ? 584 LYS A C 1 ATOM 4675 O O . LYS A 1 584 ? 1.975 2.309 -4.142 1.00 40.75 ? 584 LYS A O 1 ATOM 4676 C CB . LYS A 1 584 ? 0.753 5.480 -4.671 1.00 67.69 ? 584 LYS A CB 1 ATOM 4677 C CG . LYS A 1 584 ? 1.070 6.965 -4.837 1.00 73.49 ? 584 LYS A CG 1 ATOM 4678 C CD . LYS A 1 584 ? -0.124 7.769 -5.336 1.00 82.37 ? 584 LYS A CD 1 ATOM 4679 C CE . LYS A 1 584 ? -1.138 8.016 -4.224 1.00 82.57 ? 584 LYS A CE 1 ATOM 4680 N NZ . LYS A 1 584 ? -2.255 8.876 -4.699 1.00 84.51 ? 584 LYS A NZ 1 ATOM 4681 N N . LEU A 1 585 ? 0.417 3.163 -2.704 1.00 46.56 ? 585 LEU A N 1 ATOM 4682 C CA . LEU A 1 585 ? -0.294 1.950 -2.446 1.00 52.97 ? 585 LEU A CA 1 ATOM 4683 C C . LEU A 1 585 ? -1.505 1.915 -3.398 1.00 54.12 ? 585 LEU A C 1 ATOM 4684 O O . LEU A 1 585 ? -2.436 2.718 -3.249 1.00 52.28 ? 585 LEU A O 1 ATOM 4685 C CB . LEU A 1 585 ? -0.797 1.911 -0.992 1.00 48.64 ? 585 LEU A CB 1 ATOM 4686 C CG . LEU A 1 585 ? -1.814 0.798 -0.751 1.00 49.19 ? 585 LEU A CG 1 ATOM 4687 C CD1 . LEU A 1 585 ? -1.116 -0.563 -0.855 1.00 48.67 ? 585 LEU A CD1 1 ATOM 4688 C CD2 . LEU A 1 585 ? -2.580 0.935 0.556 1.00 49.38 ? 585 LEU A CD2 1 ATOM 4689 N N . ASP A 1 586 ? -1.509 0.942 -4.302 1.00 53.56 ? 586 ASP A N 1 ATOM 4690 C CA . ASP A 1 586 ? -2.544 0.828 -5.325 1.00 49.09 ? 586 ASP A CA 1 ATOM 4691 C C . ASP A 1 586 ? -3.592 -0.189 -4.956 1.00 52.29 ? 586 ASP A C 1 ATOM 4692 O O . ASP A 1 586 ? -3.354 -1.383 -5.099 1.00 60.04 ? 586 ASP A O 1 ATOM 4693 C CB . ASP A 1 586 ? -1.907 0.378 -6.627 1.00 50.26 ? 586 ASP A CB 1 ATOM 4694 C CG . ASP A 1 586 ? -2.929 0.207 -7.753 1.00 43.97 ? 586 ASP A CG 1 ATOM 4695 O OD1 . ASP A 1 586 ? -4.092 0.592 -7.618 1.00 47.36 ? 586 ASP A OD1 1 ATOM 4696 O OD2 . ASP A 1 586 ? -2.546 -0.344 -8.766 1.00 47.45 ? 586 ASP A OD2 1 ATOM 4697 N N . LEU A 1 587 ? -4.766 0.265 -4.542 1.00 49.15 ? 587 LEU A N 1 ATOM 4698 C CA . LEU A 1 587 ? -5.808 -0.664 -4.135 1.00 60.65 ? 587 LEU A CA 1 ATOM 4699 C C . LEU A 1 587 ? -6.715 -1.233 -5.271 1.00 62.53 ? 587 LEU A C 1 ATOM 4700 O O . LEU A 1 587 ? -7.778 -1.790 -4.980 1.00 58.42 ? 587 LEU A O 1 ATOM 4701 C CB . LEU A 1 587 ? -6.667 -0.039 -3.033 1.00 61.25 ? 587 LEU A CB 1 ATOM 4702 C CG . LEU A 1 587 ? -5.928 0.188 -1.706 1.00 68.31 ? 587 LEU A CG 1 ATOM 4703 C CD1 . LEU A 1 587 ? -5.215 1.545 -1.714 1.00 71.78 ? 587 LEU A CD1 1 ATOM 4704 C CD2 . LEU A 1 587 ? -6.877 0.096 -0.518 1.00 65.08 ? 587 LEU A CD2 1 ATOM 4705 N N . SER A 1 588 ? -6.302 -1.141 -6.541 1.00 66.80 ? 588 SER A N 1 ATOM 4706 C CA . SER A 1 588 ? -7.116 -1.739 -7.620 1.00 63.18 ? 588 SER A CA 1 ATOM 4707 C C . SER A 1 588 ? -7.456 -3.144 -7.187 1.00 58.67 ? 588 SER A C 1 ATOM 4708 O O . SER A 1 588 ? -8.637 -3.478 -7.110 1.00 55.96 ? 588 SER A O 1 ATOM 4709 C CB . SER A 1 588 ? -6.428 -1.791 -8.990 1.00 58.85 ? 588 SER A CB 1 ATOM 4710 O OG . SER A 1 588 ? -5.295 -0.968 -9.061 1.00 61.45 ? 588 SER A OG 1 ATOM 4711 N N . PRO A 1 589 ? -6.422 -3.938 -6.821 1.00 61.52 ? 589 PRO A N 1 ATOM 4712 C CA . PRO A 1 589 ? -6.585 -5.343 -6.426 1.00 58.97 ? 589 PRO A CA 1 ATOM 4713 C C . PRO A 1 589 ? -7.556 -5.645 -5.291 1.00 54.83 ? 589 PRO A C 1 ATOM 4714 O O . PRO A 1 589 ? -7.829 -6.812 -5.037 1.00 58.80 ? 589 PRO A O 1 ATOM 4715 C CB . PRO A 1 589 ? -5.174 -5.753 -6.026 1.00 59.60 ? 589 PRO A CB 1 ATOM 4716 C CG . PRO A 1 589 ? -4.287 -4.869 -6.840 1.00 57.42 ? 589 PRO A CG 1 ATOM 4717 C CD . PRO A 1 589 ? -4.995 -3.563 -6.866 1.00 56.97 ? 589 PRO A CD 1 ATOM 4718 N N . TRP A 1 590 ? -8.085 -4.628 -4.630 1.00 53.25 ? 590 TRP A N 1 ATOM 4719 C CA . TRP A 1 590 ? -9.137 -4.833 -3.631 1.00 59.70 ? 590 TRP A CA 1 ATOM 4720 C C . TRP A 1 590 ? -10.543 -4.715 -4.201 1.00 62.65 ? 590 TRP A C 1 ATOM 4721 O O . TRP A 1 590 ? -11.514 -4.918 -3.473 1.00 72.10 ? 590 TRP A O 1 ATOM 4722 C CB . TRP A 1 590 ? -9.001 -3.856 -2.451 1.00 56.68 ? 590 TRP A CB 1 ATOM 4723 C CG . TRP A 1 590 ? -7.994 -4.307 -1.440 1.00 53.74 ? 590 TRP A CG 1 ATOM 4724 C CD1 . TRP A 1 590 ? -8.226 -4.794 -0.169 1.00 53.29 ? 590 TRP A CD1 1 ATOM 4725 C CD2 . TRP A 1 590 ? -6.586 -4.355 -1.641 1.00 54.19 ? 590 TRP A CD2 1 ATOM 4726 N NE1 . TRP A 1 590 ? -7.020 -5.100 0.448 1.00 49.37 ? 590 TRP A NE1 1 ATOM 4727 C CE2 . TRP A 1 590 ? -6.004 -4.843 -0.442 1.00 56.82 ? 590 TRP A CE2 1 ATOM 4728 C CE3 . TRP A 1 590 ? -5.753 -4.011 -2.709 1.00 52.34 ? 590 TRP A CE3 1 ATOM 4729 C CZ2 . TRP A 1 590 ? -4.637 -4.993 -0.302 1.00 52.43 ? 590 TRP A CZ2 1 ATOM 4730 C CZ3 . TRP A 1 590 ? -4.396 -4.161 -2.567 1.00 58.42 ? 590 TRP A CZ3 1 ATOM 4731 C CH2 . TRP A 1 590 ? -3.846 -4.647 -1.366 1.00 58.42 ? 590 TRP A CH2 1 ATOM 4732 N N . ALA A 1 591 ? -10.662 -4.392 -5.485 1.00 71.85 ? 591 ALA A N 1 ATOM 4733 C CA . ALA A 1 591 ? -11.981 -4.278 -6.143 1.00 69.34 ? 591 ALA A CA 1 ATOM 4734 C C . ALA A 1 591 ? -12.843 -5.555 -6.022 1.00 68.51 ? 591 ALA A C 1 ATOM 4735 O O . ALA A 1 591 ? -12.537 -6.589 -6.631 1.00 73.75 ? 591 ALA A O 1 ATOM 4736 C CB . ALA A 1 591 ? -11.801 -3.896 -7.608 1.00 67.54 ? 591 ALA A CB 1 ATOM 4737 N N . SER A 1 592 ? -13.938 -5.466 -5.265 1.00 67.19 ? 592 SER A N 1 ATOM 4738 C CA . SER A 1 592 ? -14.840 -6.600 -5.080 1.00 71.30 ? 592 SER A CA 1 ATOM 4739 C C . SER A 1 592 ? -15.597 -6.808 -6.374 1.00 75.86 ? 592 SER A C 1 ATOM 4740 O O . SER A 1 592 ? -16.697 -6.269 -6.550 1.00 54.61 ? 592 SER A O 1 ATOM 4741 C CB . SER A 1 592 ? -15.828 -6.389 -3.907 1.00 75.66 ? 592 SER A CB 1 ATOM 4742 O OG . SER A 1 592 ? -17.084 -5.850 -4.330 1.00 70.87 ? 592 SER A OG 1 ATOM 4743 N N . ARG A 1 593 ? -14.965 -7.555 -7.281 1.00 85.73 ? 593 ARG A N 1 ATOM 4744 C CA . ARG A 1 593 ? -15.606 -8.065 -8.491 1.00 96.72 ? 593 ARG A CA 1 ATOM 4745 C C . ARG A 1 593 ? -16.329 -9.373 -8.132 1.00 103.81 ? 593 ARG A C 1 ATOM 4746 O O . ARG A 1 593 ? -15.963 -10.452 -8.625 1.00 107.04 ? 593 ARG A O 1 ATOM 4747 C CB . ARG A 1 593 ? -14.568 -8.338 -9.608 1.00 99.17 ? 593 ARG A CB 1 ATOM 4748 C CG . ARG A 1 593 ? -14.324 -7.214 -10.606 1.00 99.72 ? 593 ARG A CG 1 ATOM 4749 C CD . ARG A 1 593 ? -14.108 -7.771 -12.020 1.00 105.65 ? 593 ARG A CD 1 ATOM 4750 N NE . ARG A 1 593 ? -12.961 -8.687 -12.124 1.00 105.13 ? 593 ARG A NE 1 ATOM 4751 C CZ . ARG A 1 593 ? -12.746 -9.556 -13.119 1.00 102.61 ? 593 ARG A CZ 1 ATOM 4752 N NH1 . ARG A 1 593 ? -13.600 -9.682 -14.136 1.00 101.48 ? 593 ARG A NH1 1 ATOM 4753 N NH2 . ARG A 1 593 ? -11.662 -10.323 -13.092 1.00 102.67 ? 593 ARG A NH2 1 ATOM 4754 N N . GLU A 1 594 ? -17.348 -9.288 -7.273 1.00 103.47 ? 594 GLU A N 1 ATOM 4755 C CA . GLU A 1 594 ? -18.238 -10.428 -7.067 1.00 103.76 ? 594 GLU A CA 1 ATOM 4756 C C . GLU A 1 594 ? -18.939 -10.710 -8.395 1.00 109.55 ? 594 GLU A C 1 ATOM 4757 O O . GLU A 1 594 ? -19.620 -11.727 -8.539 1.00 109.97 ? 594 GLU A O 1 ATOM 4758 C CB . GLU A 1 594 ? -19.272 -10.177 -5.960 1.00 101.16 ? 594 GLU A CB 1 ATOM 4759 C CG . GLU A 1 594 ? -18.693 -9.984 -4.560 1.00 97.17 ? 594 GLU A CG 1 ATOM 4760 C CD . GLU A 1 594 ? -18.736 -8.538 -4.096 1.00 97.81 ? 594 GLU A CD 1 ATOM 4761 O OE1 . GLU A 1 594 ? -18.518 -7.632 -4.932 1.00 91.35 ? 594 GLU A OE1 1 ATOM 4762 O OE2 . GLU A 1 594 ? -18.998 -8.307 -2.893 1.00 86.01 ? 594 GLU A OE2 1 ATOM 4763 N N . ASN A 1 595 ? -18.787 -9.772 -9.342 1.00 114.88 ? 595 ASN A N 1 ATOM 4764 C CA . ASN A 1 595 ? -19.136 -9.965 -10.752 1.00 117.27 ? 595 ASN A CA 1 ATOM 4765 C C . ASN A 1 595 ? -17.965 -9.609 -11.680 1.00 114.45 ? 595 ASN A C 1 ATOM 4766 O O . ASN A 1 595 ? -17.149 -10.465 -12.043 1.00 107.23 ? 595 ASN A O 1 ATOM 4767 C CB . ASN A 1 595 ? -20.349 -9.099 -11.105 1.00 114.39 ? 595 ASN A CB 1 ATOM 4768 C CG . ASN A 1 595 ? -21.512 -9.297 -10.139 1.00 111.45 ? 595 ASN A CG 1 ATOM 4769 O OD1 . ASN A 1 595 ? -21.442 -8.909 -8.967 1.00 98.52 ? 595 ASN A OD1 1 ATOM 4770 N ND2 . ASN A 1 595 ? -22.588 -9.903 -10.626 1.00 110.95 ? 595 ASN A ND2 1 HETATM 4771 C C1 . NAG B 2 . ? 22.797 4.082 6.778 1.00 76.26 ? 601 NAG A C1 1 HETATM 4772 C C2 . NAG B 2 . ? 23.994 3.925 5.860 1.00 81.84 ? 601 NAG A C2 1 HETATM 4773 C C3 . NAG B 2 . ? 23.832 2.837 4.781 1.00 90.09 ? 601 NAG A C3 1 HETATM 4774 C C4 . NAG B 2 . ? 22.727 1.785 5.026 1.00 97.73 ? 601 NAG A C4 1 HETATM 4775 C C5 . NAG B 2 . ? 21.565 2.519 5.733 1.00 99.75 ? 601 NAG A C5 1 HETATM 4776 C C6 . NAG B 2 . ? 20.229 1.840 6.055 1.00 102.21 ? 601 NAG A C6 1 HETATM 4777 C C7 . NAG B 2 . ? 25.321 5.916 5.352 1.00 82.27 ? 601 NAG A C7 1 HETATM 4778 C C8 . NAG B 2 . ? 25.371 7.296 4.730 1.00 81.48 ? 601 NAG A C8 1 HETATM 4779 N N2 . NAG B 2 . ? 24.167 5.252 5.285 1.00 81.17 ? 601 NAG A N2 1 HETATM 4780 O O3 . NAG B 2 . ? 25.083 2.218 4.593 1.00 86.90 ? 601 NAG A O3 1 HETATM 4781 O O4 . NAG B 2 . ? 22.474 1.263 3.730 1.00 106.61 ? 601 NAG A O4 1 HETATM 4782 O O5 . NAG B 2 . ? 22.117 2.881 6.969 1.00 82.72 ? 601 NAG A O5 1 HETATM 4783 O O6 . NAG B 2 . ? 19.433 2.748 6.806 1.00 94.92 ? 601 NAG A O6 1 HETATM 4784 O O7 . NAG B 2 . ? 26.317 5.421 5.895 1.00 80.27 ? 601 NAG A O7 1 HETATM 4785 C C1 . NAG C 2 . ? 21.615 0.111 3.576 1.00 119.66 ? 602 NAG A C1 1 HETATM 4786 C C2 . NAG C 2 . ? 20.633 0.514 2.467 1.00 125.32 ? 602 NAG A C2 1 HETATM 4787 C C3 . NAG C 2 . ? 21.127 0.091 1.076 1.00 130.92 ? 602 NAG A C3 1 HETATM 4788 C C4 . NAG C 2 . ? 21.459 -1.405 0.992 1.00 132.72 ? 602 NAG A C4 1 HETATM 4789 C C5 . NAG C 2 . ? 21.713 -1.998 2.383 1.00 125.44 ? 602 NAG A C5 1 HETATM 4790 C C6 . NAG C 2 . ? 22.560 -3.264 2.262 1.00 119.49 ? 602 NAG A C6 1 HETATM 4791 C C7 . NAG C 2 . ? 18.235 0.919 2.855 1.00 134.22 ? 602 NAG A C7 1 HETATM 4792 C C8 . NAG C 2 . ? 16.884 0.298 3.038 1.00 137.52 ? 602 NAG A C8 1 HETATM 4793 N N2 . NAG C 2 . ? 19.257 0.072 2.680 1.00 128.66 ? 602 NAG A N2 1 HETATM 4794 O O3 . NAG C 2 . ? 22.263 0.858 0.720 1.00 128.90 ? 602 NAG A O3 1 HETATM 4795 O O4 . NAG C 2 . ? 20.400 -2.125 0.363 1.00 137.66 ? 602 NAG A O4 1 HETATM 4796 O O5 . NAG C 2 . ? 22.352 -1.059 3.244 1.00 124.20 ? 602 NAG A O5 1 HETATM 4797 O O6 . NAG C 2 . ? 21.970 -4.296 3.013 1.00 114.17 ? 602 NAG A O6 1 HETATM 4798 O O7 . NAG C 2 . ? 18.339 2.146 2.886 1.00 135.15 ? 602 NAG A O7 1 HETATM 4799 C C1 . BMA D 3 . ? 20.730 -2.776 -0.896 1.00 132.25 ? 603 BMA A C1 1 HETATM 4800 C C2 . BMA D 3 . ? 19.979 -4.118 -0.959 1.00 127.41 ? 603 BMA A C2 1 HETATM 4801 C C3 . BMA D 3 . ? 18.677 -4.087 -1.783 1.00 128.42 ? 603 BMA A C3 1 HETATM 4802 C C4 . BMA D 3 . ? 18.880 -3.402 -3.145 1.00 125.80 ? 603 BMA A C4 1 HETATM 4803 C C5 . BMA D 3 . ? 20.197 -2.625 -3.246 1.00 125.44 ? 603 BMA A C5 1 HETATM 4804 C C6 . BMA D 3 . ? 20.137 -1.631 -4.415 1.00 122.28 ? 603 BMA A C6 1 HETATM 4805 O O2 . BMA D 3 . ? 19.738 -4.601 0.350 1.00 115.84 ? 603 BMA A O2 1 HETATM 4806 O O3 . BMA D 3 . ? 17.591 -3.506 -1.067 1.00 118.00 ? 603 BMA A O3 1 HETATM 4807 O O4 . BMA D 3 . ? 18.846 -4.360 -4.182 1.00 118.71 ? 603 BMA A O4 1 HETATM 4808 O O5 . BMA D 3 . ? 20.457 -1.951 -2.025 1.00 129.41 ? 603 BMA A O5 1 HETATM 4809 O O6 . BMA D 3 . ? 21.326 -0.875 -4.530 1.00 110.78 ? 603 BMA A O6 1 HETATM 4810 C C1 . NAG E 2 . ? -18.439 9.204 12.566 1.00 73.08 ? 604 NAG A C1 1 HETATM 4811 C C2 . NAG E 2 . ? -17.969 10.516 13.176 1.00 68.37 ? 604 NAG A C2 1 HETATM 4812 C C3 . NAG E 2 . ? -18.784 11.731 12.770 1.00 71.20 ? 604 NAG A C3 1 HETATM 4813 C C4 . NAG E 2 . ? -19.072 11.683 11.282 1.00 73.41 ? 604 NAG A C4 1 HETATM 4814 C C5 . NAG E 2 . ? -19.625 10.314 10.903 1.00 71.23 ? 604 NAG A C5 1 HETATM 4815 C C6 . NAG E 2 . ? -19.945 10.250 9.419 1.00 68.64 ? 604 NAG A C6 1 HETATM 4816 C C7 . NAG E 2 . ? -16.994 10.418 15.383 1.00 69.06 ? 604 NAG A C7 1 HETATM 4817 C C8 . NAG E 2 . ? -17.289 10.445 16.859 1.00 68.34 ? 604 NAG A C8 1 HETATM 4818 N N2 . NAG E 2 . ? -18.066 10.502 14.606 1.00 62.65 ? 604 NAG A N2 1 HETATM 4819 O O3 . NAG E 2 . ? -17.994 12.850 13.114 1.00 67.44 ? 604 NAG A O3 1 HETATM 4820 O O4 . NAG E 2 . ? -19.956 12.721 10.892 1.00 83.01 ? 604 NAG A O4 1 HETATM 4821 O O5 . NAG E 2 . ? -18.619 9.364 11.177 1.00 72.05 ? 604 NAG A O5 1 HETATM 4822 O O6 . NAG E 2 . ? -18.850 10.797 8.729 1.00 58.06 ? 604 NAG A O6 1 HETATM 4823 O O7 . NAG E 2 . ? -15.830 10.308 14.952 1.00 64.65 ? 604 NAG A O7 1 HETATM 4824 C C1 . NAG F 2 . ? -19.258 13.648 10.028 1.00 97.01 ? 605 NAG A C1 1 HETATM 4825 C C2 . NAG F 2 . ? -20.202 14.532 9.210 1.00 98.50 ? 605 NAG A C2 1 HETATM 4826 C C3 . NAG F 2 . ? -19.996 16.012 9.549 1.00 99.36 ? 605 NAG A C3 1 HETATM 4827 C C4 . NAG F 2 . ? -18.529 16.400 9.336 1.00 103.31 ? 605 NAG A C4 1 HETATM 4828 C C5 . NAG F 2 . ? -17.614 15.357 10.007 1.00 106.46 ? 605 NAG A C5 1 HETATM 4829 C C6 . NAG F 2 . ? -16.576 15.965 10.952 1.00 111.33 ? 605 NAG A C6 1 HETATM 4830 C C7 . NAG F 2 . ? -20.708 13.725 6.930 1.00 86.38 ? 605 NAG A C7 1 HETATM 4831 C C8 . NAG F 2 . ? -20.223 13.644 5.505 1.00 81.09 ? 605 NAG A C8 1 HETATM 4832 N N2 . NAG F 2 . ? -19.908 14.351 7.787 1.00 95.44 ? 605 NAG A N2 1 HETATM 4833 O O3 . NAG F 2 . ? -20.364 16.267 10.887 1.00 93.83 ? 605 NAG A O3 1 HETATM 4834 O O4 . NAG F 2 . ? -18.268 16.507 7.939 1.00 93.14 ? 605 NAG A O4 1 HETATM 4835 O O5 . NAG F 2 . ? -18.386 14.458 10.784 1.00 108.47 ? 605 NAG A O5 1 HETATM 4836 O O6 . NAG F 2 . ? -15.969 14.950 11.737 1.00 113.12 ? 605 NAG A O6 1 HETATM 4837 O O7 . NAG F 2 . ? -21.784 13.232 7.270 1.00 82.72 ? 605 NAG A O7 1 HETATM 4838 C C1 . NAG G 2 . ? 0.061 25.550 29.302 1.00 57.09 ? 606 NAG A C1 1 HETATM 4839 C C2 . NAG G 2 . ? 1.528 26.000 29.164 1.00 54.08 ? 606 NAG A C2 1 HETATM 4840 C C3 . NAG G 2 . ? 1.588 27.459 28.701 1.00 54.23 ? 606 NAG A C3 1 HETATM 4841 C C4 . NAG G 2 . ? 0.734 27.624 27.441 1.00 59.90 ? 606 NAG A C4 1 HETATM 4842 C C5 . NAG G 2 . ? -0.649 26.970 27.586 1.00 60.52 ? 606 NAG A C5 1 HETATM 4843 C C6 . NAG G 2 . ? -1.370 26.819 26.257 1.00 62.36 ? 606 NAG A C6 1 HETATM 4844 C C7 . NAG G 2 . ? 3.039 24.847 30.776 1.00 61.95 ? 606 NAG A C7 1 HETATM 4845 C C8 . NAG G 2 . ? 3.632 24.944 32.158 1.00 61.21 ? 606 NAG A C8 1 HETATM 4846 N N2 . NAG G 2 . ? 2.227 25.863 30.413 1.00 54.75 ? 606 NAG A N2 1 HETATM 4847 O O3 . NAG G 2 . ? 2.925 27.956 28.504 1.00 44.31 ? 606 NAG A O3 1 HETATM 4848 O O4 . NAG G 2 . ? 0.601 29.014 27.181 1.00 61.69 ? 606 NAG A O4 1 HETATM 4849 O O5 . NAG G 2 . ? -0.536 25.656 28.052 1.00 56.85 ? 606 NAG A O5 1 HETATM 4850 O O6 . NAG G 2 . ? -2.588 26.151 26.498 1.00 71.58 ? 606 NAG A O6 1 HETATM 4851 O O7 . NAG G 2 . ? 3.325 23.867 30.084 1.00 55.48 ? 606 NAG A O7 1 HETATM 4852 C C1 . NAG H 2 . ? 0.653 29.294 25.775 1.00 71.42 ? 607 NAG A C1 1 HETATM 4853 C C2 . NAG H 2 . ? -0.206 30.513 25.490 1.00 79.18 ? 607 NAG A C2 1 HETATM 4854 C C3 . NAG H 2 . ? 0.066 30.848 24.026 1.00 87.79 ? 607 NAG A C3 1 HETATM 4855 C C4 . NAG H 2 . ? 1.398 31.599 24.096 1.00 89.58 ? 607 NAG A C4 1 HETATM 4856 C C5 . NAG H 2 . ? 2.358 30.885 25.069 1.00 82.87 ? 607 NAG A C5 1 HETATM 4857 C C6 . NAG H 2 . ? 2.648 31.646 26.383 1.00 83.56 ? 607 NAG A C6 1 HETATM 4858 C C7 . NAG H 2 . ? -1.951 30.773 27.160 1.00 72.51 ? 607 NAG A C7 1 HETATM 4859 C C8 . NAG H 2 . ? -3.391 30.651 27.592 1.00 69.36 ? 607 NAG A C8 1 HETATM 4860 N N2 . NAG H 2 . ? -1.596 30.391 25.918 1.00 75.67 ? 607 NAG A N2 1 HETATM 4861 O O3 . NAG H 2 . ? -0.967 31.645 23.489 1.00 89.72 ? 607 NAG A O3 1 HETATM 4862 O O4 . NAG H 2 . ? 2.048 31.775 22.836 1.00 103.72 ? 607 NAG A O4 1 HETATM 4863 O O5 . NAG H 2 . ? 1.959 29.538 25.318 1.00 72.80 ? 607 NAG A O5 1 HETATM 4864 O O6 . NAG H 2 . ? 2.697 33.051 26.212 1.00 81.81 ? 607 NAG A O6 1 HETATM 4865 O O7 . NAG H 2 . ? -1.127 31.219 27.958 1.00 71.06 ? 607 NAG A O7 1 HETATM 4866 C C1 . MAN I 4 . ? 1.823 33.123 22.386 1.00 80.05 ? 608 MAN A C1 1 HETATM 4867 C C2 . MAN I 4 . ? 2.865 34.051 23.015 1.00 81.07 ? 608 MAN A C2 1 HETATM 4868 C C3 . MAN I 4 . ? 2.303 35.403 23.455 1.00 81.20 ? 608 MAN A C3 1 HETATM 4869 C C4 . MAN I 4 . ? 1.232 35.914 22.492 1.00 82.06 ? 608 MAN A C4 1 HETATM 4870 C C5 . MAN I 4 . ? 0.230 34.840 22.054 1.00 82.71 ? 608 MAN A C5 1 HETATM 4871 C C6 . MAN I 4 . ? 0.236 34.688 20.537 1.00 84.75 ? 608 MAN A C6 1 HETATM 4872 O O2 . MAN I 4 . ? 3.926 34.268 22.077 1.00 79.81 ? 608 MAN A O2 1 HETATM 4873 O O3 . MAN I 4 . ? 3.367 36.358 23.534 1.00 78.17 ? 608 MAN A O3 1 HETATM 4874 O O4 . MAN I 4 . ? 0.521 36.993 23.112 1.00 80.20 ? 608 MAN A O4 1 HETATM 4875 O O5 . MAN I 4 . ? 0.493 33.568 22.652 1.00 81.34 ? 608 MAN A O5 1 HETATM 4876 O O6 . MAN I 4 . ? -1.103 34.794 20.041 1.00 84.97 ? 608 MAN A O6 1 HETATM 4877 C C1 . NAG J 2 . ? 8.086 -25.919 11.994 1.00 68.23 ? 609 NAG A C1 1 HETATM 4878 C C2 . NAG J 2 . ? 8.818 -26.869 11.070 1.00 77.45 ? 609 NAG A C2 1 HETATM 4879 C C3 . NAG J 2 . ? 9.104 -28.127 11.877 1.00 81.66 ? 609 NAG A C3 1 HETATM 4880 C C4 . NAG J 2 . ? 9.915 -27.817 13.133 1.00 86.32 ? 609 NAG A C4 1 HETATM 4881 C C5 . NAG J 2 . ? 9.397 -26.620 13.947 1.00 79.17 ? 609 NAG A C5 1 HETATM 4882 C C6 . NAG J 2 . ? 10.461 -26.081 14.943 1.00 74.26 ? 609 NAG A C6 1 HETATM 4883 C C7 . NAG J 2 . ? 8.086 -26.635 8.740 1.00 75.39 ? 609 NAG A C7 1 HETATM 4884 C C8 . NAG J 2 . ? 7.063 -27.035 7.715 1.00 74.25 ? 609 NAG A C8 1 HETATM 4885 N N2 . NAG J 2 . ? 7.942 -27.158 9.953 1.00 77.54 ? 609 NAG A N2 1 HETATM 4886 O O3 . NAG J 2 . ? 9.837 -29.022 11.084 1.00 73.83 ? 609 NAG A O3 1 HETATM 4887 O O4 . NAG J 2 . ? 9.891 -28.984 13.923 1.00 100.27 ? 609 NAG A O4 1 HETATM 4888 O O5 . NAG J 2 . ? 8.958 -25.580 13.072 1.00 78.49 ? 609 NAG A O5 1 HETATM 4889 O O6 . NAG J 2 . ? 10.191 -26.422 16.299 1.00 60.26 ? 609 NAG A O6 1 HETATM 4890 O O7 . NAG J 2 . ? 8.997 -25.871 8.436 1.00 74.37 ? 609 NAG A O7 1 HETATM 4891 C C1 . NAG K 2 . ? 11.194 -29.578 14.133 1.00 99.00 ? 610 NAG A C1 1 HETATM 4892 C C2 . NAG K 2 . ? 11.036 -30.848 14.976 1.00 99.00 ? 610 NAG A C2 1 HETATM 4893 C C3 . NAG K 2 . ? 12.450 -31.285 15.382 1.00 104.28 ? 610 NAG A C3 1 HETATM 4894 C C4 . NAG K 2 . ? 13.166 -31.673 14.078 1.00 103.05 ? 610 NAG A C4 1 HETATM 4895 C C5 . NAG K 2 . ? 13.178 -30.466 13.129 1.00 99.82 ? 610 NAG A C5 1 HETATM 4896 C C6 . NAG K 2 . ? 13.768 -30.829 11.770 1.00 93.88 ? 610 NAG A C6 1 HETATM 4897 C C7 . NAG K 2 . ? 8.773 -30.729 15.961 1.00 87.18 ? 610 NAG A C7 1 HETATM 4898 C C8 . NAG K 2 . ? 7.939 -30.511 17.196 1.00 87.42 ? 610 NAG A C8 1 HETATM 4899 N N2 . NAG K 2 . ? 10.112 -30.664 16.094 1.00 90.88 ? 610 NAG A N2 1 HETATM 4900 O O3 . NAG K 2 . ? 12.476 -32.307 16.371 1.00 103.53 ? 610 NAG A O3 1 HETATM 4901 O O4 . NAG K 2 . ? 14.483 -32.121 14.326 1.00 109.80 ? 610 NAG A O4 1 HETATM 4902 O O5 . NAG K 2 . ? 11.868 -29.935 12.939 1.00 100.32 ? 610 NAG A O5 1 HETATM 4903 O O6 . NAG K 2 . ? 12.761 -31.416 10.981 1.00 84.80 ? 610 NAG A O6 1 HETATM 4904 O O7 . NAG K 2 . ? 8.189 -30.950 14.895 1.00 78.47 ? 610 NAG A O7 1 HETATM 4905 CA CA . CA L 5 . ? -0.114 -7.074 18.618 1.00 37.82 ? 611 CA A CA 1 HETATM 4906 I I . IOD M 6 . ? -12.983 13.996 21.564 1.00 147.96 ? 612 IOD A I 1 HETATM 4907 I I . IOD N 6 . ? -1.915 11.983 36.879 1.00 79.24 ? 613 IOD A I 1 HETATM 4908 I I . IOD O 6 . ? 7.071 20.007 3.712 1.00 74.21 ? 614 IOD A I 1 HETATM 4909 I I . IOD P 6 . ? 11.928 -15.715 29.477 1.00 33.94 ? 615 IOD A I 1 HETATM 4910 I I . IOD Q 6 . ? 36.487 -15.678 31.915 1.00 88.28 ? 616 IOD A I 1 HETATM 4911 N N . NO3 R 7 . ? 29.197 12.936 30.325 1.00 58.72 ? 617 NO3 A N 1 HETATM 4912 O O1 . NO3 R 7 . ? 29.001 14.120 30.241 1.00 75.40 ? 617 NO3 A O1 1 HETATM 4913 O O2 . NO3 R 7 . ? 29.222 12.277 29.091 1.00 63.18 ? 617 NO3 A O2 1 HETATM 4914 O O3 . NO3 R 7 . ? 29.343 12.311 31.606 1.00 62.87 ? 617 NO3 A O3 1 HETATM 4915 N N . NO3 S 7 . ? -3.699 -24.190 10.006 1.00 47.21 ? 618 NO3 A N 1 HETATM 4916 O O1 . NO3 S 7 . ? -4.549 -23.385 9.675 1.00 53.70 ? 618 NO3 A O1 1 HETATM 4917 O O2 . NO3 S 7 . ? -2.577 -24.319 9.206 1.00 44.64 ? 618 NO3 A O2 1 HETATM 4918 O O3 . NO3 S 7 . ? -3.884 -24.976 11.145 1.00 52.48 ? 618 NO3 A O3 1 HETATM 4919 N N . NO3 T 7 . ? 25.428 6.046 43.731 1.00 17.77 ? 619 NO3 A N 1 HETATM 4920 O O1 . NO3 T 7 . ? 26.193 6.337 43.044 1.00 21.67 ? 619 NO3 A O1 1 HETATM 4921 O O2 . NO3 T 7 . ? 25.281 4.832 44.290 1.00 46.23 ? 619 NO3 A O2 1 HETATM 4922 O O3 . NO3 T 7 . ? 24.646 6.870 43.839 1.00 17.73 ? 619 NO3 A O3 1 HETATM 4923 N N . NO3 U 7 . ? 8.705 19.825 33.708 1.00 41.81 ? 620 NO3 A N 1 HETATM 4924 O O1 . NO3 U 7 . ? 9.803 20.291 33.624 1.00 44.80 ? 620 NO3 A O1 1 HETATM 4925 O O2 . NO3 U 7 . ? 7.731 19.955 32.701 1.00 50.20 ? 620 NO3 A O2 1 HETATM 4926 O O3 . NO3 U 7 . ? 8.382 19.129 34.851 1.00 53.71 ? 620 NO3 A O3 1 HETATM 4927 C CHA . HEM V 8 . ? 8.650 -0.009 28.818 1.00 31.52 ? 621 HEM A CHA 1 HETATM 4928 C CHB . HEM V 8 . ? 8.964 4.769 28.606 1.00 32.99 ? 621 HEM A CHB 1 HETATM 4929 C CHC . HEM V 8 . ? 11.047 4.501 24.269 1.00 27.97 ? 621 HEM A CHC 1 HETATM 4930 C CHD . HEM V 8 . ? 10.564 -0.341 24.438 1.00 28.86 ? 621 HEM A CHD 1 HETATM 4931 C C1A . HEM V 8 . ? 8.628 1.302 29.122 1.00 34.14 ? 621 HEM A C1A 1 HETATM 4932 C C2A . HEM V 8 . ? 8.006 1.764 30.315 1.00 38.87 ? 621 HEM A C2A 1 HETATM 4933 C C3A . HEM V 8 . ? 8.110 3.110 30.258 1.00 35.69 ? 621 HEM A C3A 1 HETATM 4934 C C4A . HEM V 8 . ? 8.757 3.471 29.036 1.00 36.09 ? 621 HEM A C4A 1 HETATM 4935 C CMA . HEM V 8 . ? 7.594 4.009 31.303 1.00 35.53 ? 621 HEM A CMA 1 HETATM 4936 C CAA . HEM V 8 . ? 7.384 0.936 31.448 1.00 35.06 ? 621 HEM A CAA 1 HETATM 4937 C CBA . HEM V 8 . ? 8.501 0.578 32.399 1.00 34.22 ? 621 HEM A CBA 1 HETATM 4938 C CGA . HEM V 8 . ? 8.279 -0.425 33.533 1.00 37.74 ? 621 HEM A CGA 1 HETATM 4939 O O1A . HEM V 8 . ? 7.584 -0.127 34.524 1.00 36.19 ? 621 HEM A O1A 1 HETATM 4940 O O2A . HEM V 8 . ? 8.895 -1.528 33.594 1.00 36.66 ? 621 HEM A O2A 1 HETATM 4941 C C1B . HEM V 8 . ? 9.537 5.140 27.373 1.00 33.25 ? 621 HEM A C1B 1 HETATM 4942 C C2B . HEM V 8 . ? 9.696 6.496 26.936 1.00 35.52 ? 621 HEM A C2B 1 HETATM 4943 C C3B . HEM V 8 . ? 10.292 6.447 25.703 1.00 34.60 ? 621 HEM A C3B 1 HETATM 4944 C C4B . HEM V 8 . ? 10.474 5.003 25.420 1.00 32.55 ? 621 HEM A C4B 1 HETATM 4945 C CMB . HEM V 8 . ? 9.271 7.740 27.690 1.00 36.79 ? 621 HEM A CMB 1 HETATM 4946 C CAB . HEM V 8 . ? 10.719 7.518 24.763 1.00 38.86 ? 621 HEM A CAB 1 HETATM 4947 C CBB . HEM V 8 . ? 10.668 8.817 25.027 1.00 40.22 ? 621 HEM A CBB 1 HETATM 4948 C C1C . HEM V 8 . ? 11.075 3.129 23.938 1.00 28.21 ? 621 HEM A C1C 1 HETATM 4949 C C2C . HEM V 8 . ? 11.609 2.644 22.758 1.00 26.26 ? 621 HEM A C2C 1 HETATM 4950 C C3C . HEM V 8 . ? 11.478 1.257 22.754 1.00 28.28 ? 621 HEM A C3C 1 HETATM 4951 C C4C . HEM V 8 . ? 10.900 0.917 24.030 1.00 31.14 ? 621 HEM A C4C 1 HETATM 4952 C CMC . HEM V 8 . ? 12.171 3.557 21.687 1.00 25.66 ? 621 HEM A CMC 1 HETATM 4953 C CAC . HEM V 8 . ? 11.928 0.310 21.743 1.00 27.34 ? 621 HEM A CAC 1 HETATM 4954 C CBC . HEM V 8 . ? 12.762 0.599 20.704 1.00 29.30 ? 621 HEM A CBC 1 HETATM 4955 C C1D . HEM V 8 . ? 9.952 -0.606 25.676 1.00 30.79 ? 621 HEM A C1D 1 HETATM 4956 C C2D . HEM V 8 . ? 9.516 -1.953 26.024 1.00 29.34 ? 621 HEM A C2D 1 HETATM 4957 C C3D . HEM V 8 . ? 8.978 -1.841 27.237 1.00 32.58 ? 621 HEM A C3D 1 HETATM 4958 C C4D . HEM V 8 . ? 9.113 -0.408 27.604 1.00 29.62 ? 621 HEM A C4D 1 HETATM 4959 C CMD . HEM V 8 . ? 9.624 -3.221 25.209 1.00 30.70 ? 621 HEM A CMD 1 HETATM 4960 C CAD . HEM V 8 . ? 8.346 -2.934 28.087 1.00 29.15 ? 621 HEM A CAD 1 HETATM 4961 C CBD . HEM V 8 . ? 6.837 -2.905 27.695 1.00 30.42 ? 621 HEM A CBD 1 HETATM 4962 C CGD . HEM V 8 . ? 6.035 -4.063 28.233 1.00 36.90 ? 621 HEM A CGD 1 HETATM 4963 O O1D . HEM V 8 . ? 6.102 -5.238 27.700 1.00 34.61 ? 621 HEM A O1D 1 HETATM 4964 O O2D . HEM V 8 . ? 5.275 -3.831 29.217 1.00 34.18 ? 621 HEM A O2D 1 HETATM 4965 N NA . HEM V 8 . ? 9.067 2.334 28.361 1.00 32.13 ? 621 HEM A NA 1 HETATM 4966 N NB . HEM V 8 . ? 10.042 4.306 26.458 1.00 33.07 ? 621 HEM A NB 1 HETATM 4967 N NC . HEM V 8 . ? 10.721 2.089 24.709 1.00 27.38 ? 621 HEM A NC 1 HETATM 4968 N ND . HEM V 8 . ? 9.740 0.288 26.687 1.00 28.46 ? 621 HEM A ND 1 HETATM 4969 FE FE . HEM V 8 . ? 9.917 2.199 26.583 1.00 32.71 ? 621 HEM A FE 1 HETATM 4970 S S . SCN W 9 . ? 15.199 22.863 15.853 1.00 53.54 ? 622 SCN A S 1 HETATM 4971 C C . SCN W 9 . ? 15.947 22.699 14.552 1.00 53.28 ? 622 SCN A C 1 HETATM 4972 N N . SCN W 9 . ? 16.510 22.532 13.523 1.00 41.78 ? 622 SCN A N 1 HETATM 4973 S S . SCN X 9 . ? 18.833 14.320 40.060 1.00 57.20 ? 623 SCN A S 1 HETATM 4974 C C . SCN X 9 . ? 20.159 13.658 39.897 1.00 44.25 ? 623 SCN A C 1 HETATM 4975 N N . SCN X 9 . ? 21.151 13.087 39.788 1.00 46.12 ? 623 SCN A N 1 HETATM 4976 S S . SCN Y 9 . ? 5.425 3.443 27.903 1.00 34.72 ? 624 SCN A S 1 HETATM 4977 C C . SCN Y 9 . ? 4.624 3.730 29.124 1.00 37.72 ? 624 SCN A C 1 HETATM 4978 N N . SCN Y 9 . ? 3.966 4.029 30.045 1.00 38.22 ? 624 SCN A N 1 HETATM 4979 S S . SCN Z 9 . ? -12.286 0.646 27.429 1.00 31.93 ? 625 SCN A S 1 HETATM 4980 C C . SCN Z 9 . ? -13.575 0.146 27.040 1.00 51.20 ? 625 SCN A C 1 HETATM 4981 N N . SCN Z 9 . ? -14.630 -0.261 26.774 1.00 44.36 ? 625 SCN A N 1 HETATM 4982 I I . IOD AA 6 . ? 8.504 -8.551 4.931 1.00 56.84 ? 626 IOD A I 1 HETATM 4983 O O . HOH BA 10 . ? 7.387 -32.477 34.830 1.00 48.50 ? 701 HOH A O 1 HETATM 4984 O O . HOH BA 10 . ? 32.049 16.258 27.972 1.00 46.63 ? 702 HOH A O 1 HETATM 4985 O O . HOH BA 10 . ? -23.421 7.463 17.659 1.00 59.42 ? 703 HOH A O 1 HETATM 4986 O O . HOH BA 10 . ? 1.513 -19.119 49.739 1.00 60.32 ? 704 HOH A O 1 HETATM 4987 O O . HOH BA 10 . ? 31.004 -16.949 22.470 1.00 43.93 ? 705 HOH A O 1 HETATM 4988 O O . HOH BA 10 . ? 2.976 35.641 27.088 1.00 56.63 ? 706 HOH A O 1 HETATM 4989 O O . HOH BA 10 . ? 6.977 21.798 26.276 1.00 35.12 ? 707 HOH A O 1 HETATM 4990 O O . HOH BA 10 . ? 12.707 28.796 10.481 1.00 57.93 ? 708 HOH A O 1 HETATM 4991 O O . HOH BA 10 . ? 9.717 23.849 1.187 1.00 61.51 ? 709 HOH A O 1 HETATM 4992 O O . HOH BA 10 . ? 21.681 -18.050 44.331 1.00 38.28 ? 710 HOH A O 1 HETATM 4993 O O . HOH BA 10 . ? 3.880 27.590 7.730 1.00 52.25 ? 711 HOH A O 1 HETATM 4994 O O . HOH BA 10 . ? 34.557 6.549 34.183 1.00 50.51 ? 712 HOH A O 1 HETATM 4995 O O . HOH BA 10 . ? 8.524 -21.028 23.088 1.00 56.00 ? 713 HOH A O 1 HETATM 4996 O O . HOH BA 10 . ? 0.306 22.655 36.172 1.00 51.15 ? 714 HOH A O 1 HETATM 4997 O O . HOH BA 10 . ? -0.592 -23.807 7.073 1.00 61.66 ? 715 HOH A O 1 HETATM 4998 O O . HOH BA 10 . ? 15.283 23.175 24.398 1.00 37.59 ? 716 HOH A O 1 HETATM 4999 O O . HOH BA 10 . ? -4.300 -26.297 36.426 1.00 59.69 ? 717 HOH A O 1 HETATM 5000 O O . HOH BA 10 . ? 7.348 20.040 -2.463 1.00 53.24 ? 718 HOH A O 1 HETATM 5001 O O . HOH BA 10 . ? -0.039 -17.464 -2.815 1.00 73.79 ? 719 HOH A O 1 HETATM 5002 O O . HOH BA 10 . ? -15.395 -4.852 19.145 1.00 56.45 ? 720 HOH A O 1 HETATM 5003 O O . HOH BA 10 . ? 28.137 2.737 5.312 1.00 62.03 ? 721 HOH A O 1 HETATM 5004 O O . HOH BA 10 . ? 1.648 22.642 11.047 1.00 52.46 ? 722 HOH A O 1 HETATM 5005 O O . HOH BA 10 . ? 12.488 -19.558 49.876 1.00 44.57 ? 723 HOH A O 1 HETATM 5006 O O . HOH BA 10 . ? -13.474 12.641 26.697 1.00 53.91 ? 724 HOH A O 1 HETATM 5007 O O . HOH BA 10 . ? -13.896 -19.201 1.580 1.00 52.93 ? 725 HOH A O 1 HETATM 5008 O O . HOH BA 10 . ? 5.906 -36.288 34.763 1.00 57.03 ? 726 HOH A O 1 HETATM 5009 O O . HOH BA 10 . ? -25.707 8.375 16.455 1.00 43.33 ? 727 HOH A O 1 HETATM 5010 O O . HOH BA 10 . ? 38.838 -10.351 22.312 1.00 59.01 ? 728 HOH A O 1 HETATM 5011 O O . HOH BA 10 . ? -5.231 -4.911 26.267 1.00 51.07 ? 729 HOH A O 1 HETATM 5012 O O . HOH BA 10 . ? 15.811 -0.090 5.942 1.00 54.34 ? 730 HOH A O 1 HETATM 5013 O O . HOH BA 10 . ? 5.636 19.087 32.028 1.00 49.91 ? 731 HOH A O 1 HETATM 5014 O O . HOH BA 10 . ? -1.087 -3.285 21.219 1.00 32.89 ? 732 HOH A O 1 HETATM 5015 O O . HOH BA 10 . ? 14.236 10.374 7.635 1.00 40.61 ? 733 HOH A O 1 HETATM 5016 O O . HOH BA 10 . ? 31.542 3.105 31.585 1.00 46.30 ? 734 HOH A O 1 HETATM 5017 O O . HOH BA 10 . ? -15.937 1.004 11.881 1.00 47.82 ? 735 HOH A O 1 HETATM 5018 O O . HOH BA 10 . ? 20.438 13.627 23.362 1.00 41.69 ? 736 HOH A O 1 HETATM 5019 O O . HOH BA 10 . ? -15.456 4.527 3.892 1.00 58.32 ? 737 HOH A O 1 HETATM 5020 O O . HOH BA 10 . ? 29.921 -11.535 22.200 1.00 39.90 ? 738 HOH A O 1 HETATM 5021 O O . HOH BA 10 . ? -2.096 -17.659 31.031 1.00 41.29 ? 739 HOH A O 1 HETATM 5022 O O . HOH BA 10 . ? -7.955 5.910 18.451 1.00 47.12 ? 740 HOH A O 1 HETATM 5023 O O . HOH BA 10 . ? 25.290 -9.053 42.630 1.00 31.50 ? 741 HOH A O 1 HETATM 5024 O O . HOH BA 10 . ? -3.573 -3.379 21.893 1.00 37.22 ? 742 HOH A O 1 HETATM 5025 O O . HOH BA 10 . ? -10.984 -0.837 16.988 1.00 37.76 ? 743 HOH A O 1 HETATM 5026 O O . HOH BA 10 . ? -4.738 -7.964 10.576 1.00 42.52 ? 744 HOH A O 1 HETATM 5027 O O . HOH BA 10 . ? -4.401 -5.691 11.612 1.00 36.92 ? 745 HOH A O 1 HETATM 5028 O O . HOH BA 10 . ? 20.474 -9.583 39.471 1.00 35.69 ? 746 HOH A O 1 HETATM 5029 O O . HOH BA 10 . ? -5.016 -10.617 16.499 1.00 43.77 ? 747 HOH A O 1 HETATM 5030 O O . HOH BA 10 . ? -1.157 -7.852 10.815 1.00 34.54 ? 748 HOH A O 1 HETATM 5031 O O . HOH BA 10 . ? 29.974 2.822 22.943 1.00 28.91 ? 749 HOH A O 1 HETATM 5032 O O . HOH BA 10 . ? -7.886 12.663 8.850 1.00 49.36 ? 750 HOH A O 1 HETATM 5033 O O . HOH BA 10 . ? 24.009 3.374 49.726 1.00 49.07 ? 751 HOH A O 1 HETATM 5034 O O . HOH BA 10 . ? 5.853 -20.649 28.611 1.00 35.45 ? 752 HOH A O 1 HETATM 5035 O O . HOH BA 10 . ? 1.606 -19.370 41.112 1.00 68.33 ? 753 HOH A O 1 HETATM 5036 O O . HOH BA 10 . ? 17.224 5.674 50.267 1.00 52.33 ? 754 HOH A O 1 HETATM 5037 O O . HOH BA 10 . ? 5.809 -15.027 32.362 1.00 38.38 ? 755 HOH A O 1 HETATM 5038 O O . HOH BA 10 . ? 7.981 -18.013 22.524 1.00 34.27 ? 756 HOH A O 1 HETATM 5039 O O . HOH BA 10 . ? 3.826 -17.284 8.948 1.00 37.84 ? 757 HOH A O 1 HETATM 5040 O O . HOH BA 10 . ? 17.847 -11.371 46.965 1.00 40.08 ? 758 HOH A O 1 HETATM 5041 O O . HOH BA 10 . ? -5.018 27.975 26.627 1.00 58.93 ? 759 HOH A O 1 HETATM 5042 O O . HOH BA 10 . ? 7.390 -6.308 30.176 1.00 37.02 ? 760 HOH A O 1 HETATM 5043 O O . HOH BA 10 . ? 20.703 0.823 19.965 1.00 35.13 ? 761 HOH A O 1 HETATM 5044 O O . HOH BA 10 . ? 12.348 -20.138 18.319 1.00 45.40 ? 762 HOH A O 1 HETATM 5045 O O . HOH BA 10 . ? 18.395 7.761 25.989 1.00 30.42 ? 763 HOH A O 1 HETATM 5046 O O . HOH BA 10 . ? 15.238 -0.924 45.846 1.00 44.89 ? 764 HOH A O 1 HETATM 5047 O O . HOH BA 10 . ? -5.449 -13.498 36.148 1.00 69.40 ? 765 HOH A O 1 HETATM 5048 O O . HOH BA 10 . ? 1.379 2.974 22.433 1.00 33.66 ? 766 HOH A O 1 HETATM 5049 O O . HOH BA 10 . ? -6.379 -6.616 17.914 1.00 44.91 ? 767 HOH A O 1 HETATM 5050 O O . HOH BA 10 . ? -3.274 4.867 17.066 1.00 41.89 ? 768 HOH A O 1 HETATM 5051 O O . HOH BA 10 . ? 6.167 16.359 30.709 1.00 42.38 ? 769 HOH A O 1 HETATM 5052 O O . HOH BA 10 . ? 0.701 10.359 50.419 1.00 60.95 ? 770 HOH A O 1 HETATM 5053 O O . HOH BA 10 . ? 17.514 12.459 9.999 1.00 38.39 ? 771 HOH A O 1 HETATM 5054 O O . HOH BA 10 . ? 14.359 1.550 17.590 1.00 31.06 ? 772 HOH A O 1 HETATM 5055 O O . HOH BA 10 . ? 10.751 -21.443 16.153 1.00 46.54 ? 773 HOH A O 1 HETATM 5056 O O . HOH BA 10 . ? 29.179 3.498 31.568 1.00 37.41 ? 774 HOH A O 1 HETATM 5057 O O . HOH BA 10 . ? 24.211 -15.940 18.790 1.00 58.80 ? 775 HOH A O 1 HETATM 5058 O O . HOH BA 10 . ? 22.586 -15.638 38.167 1.00 35.93 ? 776 HOH A O 1 HETATM 5059 O O . HOH BA 10 . ? 17.678 -3.691 45.278 1.00 40.91 ? 777 HOH A O 1 HETATM 5060 O O . HOH BA 10 . ? 12.583 -16.363 32.653 1.00 32.21 ? 778 HOH A O 1 HETATM 5061 O O . HOH BA 10 . ? -2.290 -8.522 45.342 1.00 54.42 ? 779 HOH A O 1 HETATM 5062 O O . HOH BA 10 . ? -15.870 18.851 13.411 1.00 60.88 ? 780 HOH A O 1 HETATM 5063 O O . HOH BA 10 . ? 14.252 -12.004 40.300 1.00 33.29 ? 781 HOH A O 1 HETATM 5064 O O . HOH BA 10 . ? 16.177 -11.590 38.266 1.00 28.38 ? 782 HOH A O 1 HETATM 5065 O O . HOH BA 10 . ? 19.602 15.149 35.425 1.00 38.23 ? 783 HOH A O 1 HETATM 5066 O O . HOH BA 10 . ? -12.338 -9.780 17.154 1.00 46.48 ? 784 HOH A O 1 HETATM 5067 O O . HOH BA 10 . ? -17.714 7.349 16.861 1.00 60.26 ? 785 HOH A O 1 HETATM 5068 O O . HOH BA 10 . ? 0.735 -19.117 35.919 1.00 49.82 ? 786 HOH A O 1 HETATM 5069 O O . HOH BA 10 . ? -1.304 17.582 27.859 1.00 43.14 ? 787 HOH A O 1 HETATM 5070 O O . HOH BA 10 . ? 9.559 2.787 5.522 1.00 42.42 ? 788 HOH A O 1 HETATM 5071 O O . HOH BA 10 . ? -4.097 12.606 17.834 1.00 48.61 ? 789 HOH A O 1 HETATM 5072 O O . HOH BA 10 . ? -1.233 17.229 10.387 1.00 42.51 ? 790 HOH A O 1 HETATM 5073 O O . HOH BA 10 . ? -17.646 2.580 10.349 1.00 60.90 ? 791 HOH A O 1 HETATM 5074 O O . HOH BA 10 . ? -7.161 18.950 34.903 1.00 50.01 ? 792 HOH A O 1 HETATM 5075 O O . HOH BA 10 . ? 22.090 3.104 18.916 1.00 38.18 ? 793 HOH A O 1 HETATM 5076 O O . HOH BA 10 . ? -7.351 -9.123 10.016 1.00 34.43 ? 794 HOH A O 1 HETATM 5077 O O . HOH BA 10 . ? 1.942 12.808 24.324 1.00 35.88 ? 795 HOH A O 1 HETATM 5078 O O . HOH BA 10 . ? -7.146 -12.733 24.797 1.00 69.81 ? 796 HOH A O 1 HETATM 5079 O O . HOH BA 10 . ? 19.781 -1.212 49.860 1.00 63.63 ? 797 HOH A O 1 HETATM 5080 O O . HOH BA 10 . ? 37.326 -1.758 40.727 1.00 47.97 ? 798 HOH A O 1 HETATM 5081 O O . HOH BA 10 . ? -1.364 -4.516 50.863 1.00 69.30 ? 799 HOH A O 1 HETATM 5082 O O . HOH BA 10 . ? 17.627 14.449 17.824 1.00 35.25 ? 800 HOH A O 1 HETATM 5083 O O . HOH BA 10 . ? 29.693 -8.813 17.436 1.00 48.78 ? 801 HOH A O 1 HETATM 5084 O O . HOH BA 10 . ? 19.745 13.754 9.823 1.00 47.77 ? 802 HOH A O 1 HETATM 5085 O O . HOH BA 10 . ? 17.808 15.762 20.539 1.00 52.62 ? 803 HOH A O 1 HETATM 5086 O O . HOH BA 10 . ? 5.817 11.216 48.897 1.00 52.78 ? 804 HOH A O 1 HETATM 5087 O O . HOH BA 10 . ? 20.483 4.683 17.640 1.00 32.16 ? 805 HOH A O 1 HETATM 5088 O O . HOH BA 10 . ? 5.823 -9.352 45.984 1.00 50.73 ? 806 HOH A O 1 HETATM 5089 O O . HOH BA 10 . ? 24.171 -1.295 45.791 1.00 40.38 ? 807 HOH A O 1 HETATM 5090 O O . HOH BA 10 . ? -15.505 -11.524 1.332 1.00 59.73 ? 808 HOH A O 1 HETATM 5091 O O . HOH BA 10 . ? 32.220 -19.659 28.961 1.00 49.91 ? 809 HOH A O 1 HETATM 5092 O O . HOH BA 10 . ? 23.165 0.452 -5.790 1.00 55.56 ? 810 HOH A O 1 HETATM 5093 O O . HOH BA 10 . ? 2.967 3.313 2.234 1.00 46.95 ? 811 HOH A O 1 HETATM 5094 O O . HOH BA 10 . ? 21.868 10.034 32.340 1.00 33.53 ? 812 HOH A O 1 HETATM 5095 O O . HOH BA 10 . ? -0.742 -15.754 24.523 1.00 35.70 ? 813 HOH A O 1 HETATM 5096 O O . HOH BA 10 . ? 10.041 9.625 50.999 1.00 47.93 ? 814 HOH A O 1 HETATM 5097 O O . HOH BA 10 . ? -9.079 -15.083 13.665 1.00 35.22 ? 815 HOH A O 1 HETATM 5098 O O . HOH BA 10 . ? -3.076 -8.045 8.564 1.00 48.29 ? 816 HOH A O 1 HETATM 5099 O O . HOH BA 10 . ? 2.782 -7.581 53.166 1.00 68.36 ? 817 HOH A O 1 HETATM 5100 O O . HOH BA 10 . ? 5.517 10.972 43.161 1.00 49.09 ? 818 HOH A O 1 HETATM 5101 O O . HOH BA 10 . ? 17.451 1.290 43.572 1.00 35.67 ? 819 HOH A O 1 HETATM 5102 O O . HOH BA 10 . ? 20.344 -7.159 0.140 1.00 57.25 ? 820 HOH A O 1 HETATM 5103 O O . HOH BA 10 . ? -10.703 6.030 17.427 1.00 43.36 ? 821 HOH A O 1 HETATM 5104 O O . HOH BA 10 . ? -10.524 10.463 8.574 1.00 61.88 ? 822 HOH A O 1 HETATM 5105 O O . HOH BA 10 . ? -16.676 -8.433 7.695 1.00 52.94 ? 823 HOH A O 1 HETATM 5106 O O . HOH BA 10 . ? 7.556 3.201 38.951 1.00 64.23 ? 824 HOH A O 1 HETATM 5107 O O . HOH BA 10 . ? 19.400 16.730 33.431 1.00 51.95 ? 825 HOH A O 1 HETATM 5108 O O . HOH BA 10 . ? 30.631 17.061 19.247 1.00 60.04 ? 826 HOH A O 1 HETATM 5109 O O . HOH BA 10 . ? -19.275 -6.411 2.401 1.00 61.65 ? 827 HOH A O 1 HETATM 5110 O O . HOH BA 10 . ? -4.900 -4.807 -9.828 1.00 65.19 ? 828 HOH A O 1 HETATM 5111 O O . HOH BA 10 . ? 28.359 -8.644 13.238 1.00 46.28 ? 829 HOH A O 1 HETATM 5112 O O . HOH BA 10 . ? -6.020 4.024 17.777 1.00 38.08 ? 830 HOH A O 1 HETATM 5113 O O . HOH BA 10 . ? 14.454 -1.276 3.052 1.00 59.43 ? 831 HOH A O 1 HETATM 5114 O O . HOH BA 10 . ? 4.836 -18.943 30.736 1.00 52.34 ? 832 HOH A O 1 HETATM 5115 O O . HOH BA 10 . ? -14.836 10.466 18.626 1.00 60.67 ? 833 HOH A O 1 HETATM 5116 O O . HOH BA 10 . ? 20.471 0.489 22.520 1.00 33.15 ? 834 HOH A O 1 HETATM 5117 O O . HOH BA 10 . ? 6.509 -5.260 33.222 1.00 47.87 ? 835 HOH A O 1 HETATM 5118 O O . HOH BA 10 . ? 23.914 -13.295 18.113 1.00 51.60 ? 836 HOH A O 1 HETATM 5119 O O . HOH BA 10 . ? -4.551 -12.646 15.025 1.00 39.09 ? 837 HOH A O 1 HETATM 5120 O O . HOH BA 10 . ? -0.480 5.868 3.051 1.00 48.32 ? 838 HOH A O 1 HETATM 5121 O O . HOH BA 10 . ? -2.621 -1.197 25.682 1.00 42.00 ? 839 HOH A O 1 HETATM 5122 O O . HOH BA 10 . ? 30.221 10.114 29.889 1.00 38.97 ? 840 HOH A O 1 HETATM 5123 O O . HOH BA 10 . ? -7.377 -21.298 27.124 1.00 46.13 ? 841 HOH A O 1 HETATM 5124 O O . HOH BA 10 . ? -6.460 11.829 29.446 1.00 46.76 ? 842 HOH A O 1 HETATM 5125 O O . HOH BA 10 . ? 25.809 14.354 18.608 1.00 39.17 ? 843 HOH A O 1 HETATM 5126 O O . HOH BA 10 . ? -3.621 -3.324 27.093 1.00 58.13 ? 844 HOH A O 1 HETATM 5127 O O . HOH BA 10 . ? 22.109 12.744 29.853 1.00 46.12 ? 845 HOH A O 1 HETATM 5128 O O . HOH BA 10 . ? 0.373 19.990 11.501 1.00 38.60 ? 846 HOH A O 1 HETATM 5129 O O . HOH BA 10 . ? 18.435 16.146 43.480 1.00 52.94 ? 847 HOH A O 1 HETATM 5130 O O . HOH BA 10 . ? 4.228 20.699 18.404 1.00 57.37 ? 848 HOH A O 1 HETATM 5131 O O . HOH BA 10 . ? 1.655 -16.183 37.986 1.00 49.78 ? 849 HOH A O 1 HETATM 5132 O O . HOH BA 10 . ? 0.948 -14.537 25.917 1.00 38.80 ? 850 HOH A O 1 HETATM 5133 O O . HOH BA 10 . ? -4.849 -17.258 31.623 1.00 48.10 ? 851 HOH A O 1 HETATM 5134 O O . HOH BA 10 . ? -3.573 6.680 34.288 1.00 57.01 ? 852 HOH A O 1 HETATM 5135 O O . HOH BA 10 . ? -16.604 6.811 2.949 1.00 56.17 ? 853 HOH A O 1 HETATM 5136 O O . HOH BA 10 . ? -2.040 -29.181 12.554 1.00 50.74 ? 854 HOH A O 1 HETATM 5137 O O . HOH BA 10 . ? 14.191 -12.387 6.738 1.00 44.04 ? 855 HOH A O 1 HETATM 5138 O O . HOH BA 10 . ? 8.336 -25.913 5.045 1.00 53.75 ? 856 HOH A O 1 HETATM 5139 O O . HOH BA 10 . ? -2.024 24.261 15.152 1.00 63.81 ? 857 HOH A O 1 HETATM 5140 O O . HOH BA 10 . ? 25.277 14.882 15.232 1.00 55.03 ? 858 HOH A O 1 HETATM 5141 O O . HOH BA 10 . ? 10.179 15.727 16.243 1.00 36.28 ? 859 HOH A O 1 HETATM 5142 O O . HOH BA 10 . ? 1.248 7.903 53.729 1.00 61.45 ? 860 HOH A O 1 HETATM 5143 O O . HOH BA 10 . ? 2.757 -11.431 13.754 1.00 37.70 ? 861 HOH A O 1 HETATM 5144 O O . HOH BA 10 . ? -14.825 9.445 21.008 1.00 52.32 ? 862 HOH A O 1 HETATM 5145 O O . HOH BA 10 . ? 6.762 10.423 44.958 1.00 48.35 ? 863 HOH A O 1 HETATM 5146 O O . HOH BA 10 . ? -9.271 -7.377 9.833 1.00 55.00 ? 864 HOH A O 1 HETATM 5147 O O . HOH BA 10 . ? 29.546 11.292 22.762 1.00 41.73 ? 865 HOH A O 1 HETATM 5148 O O . HOH BA 10 . ? -4.919 16.426 36.022 1.00 56.59 ? 866 HOH A O 1 HETATM 5149 O O . HOH BA 10 . ? -0.129 -9.468 48.307 1.00 64.92 ? 867 HOH A O 1 HETATM 5150 O O . HOH BA 10 . ? 1.233 5.121 30.062 1.00 37.74 ? 868 HOH A O 1 HETATM 5151 O O . HOH BA 10 . ? 7.434 2.339 26.019 1.00 43.47 ? 869 HOH A O 1 HETATM 5152 O O . HOH BA 10 . ? 24.135 0.899 8.799 1.00 42.56 ? 870 HOH A O 1 HETATM 5153 O O . HOH BA 10 . ? -0.936 -20.794 25.961 1.00 58.90 ? 871 HOH A O 1 HETATM 5154 O O . HOH BA 10 . ? -1.251 -18.375 25.909 1.00 35.02 ? 872 HOH A O 1 HETATM 5155 O O . HOH BA 10 . ? 15.760 -2.281 47.763 1.00 33.45 ? 873 HOH A O 1 HETATM 5156 O O . HOH BA 10 . ? 11.728 -18.202 10.000 1.00 42.92 ? 874 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 ASP 89 89 89 ASP ASP 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 GLN 204 204 204 GLN GLN 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 ARG 232 232 232 ARG ARG 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 GLN 286 286 286 GLN GLN A . n A 1 287 TRP 287 287 287 TRP TRP A . n A 1 288 ASP 288 288 288 ASP ASP 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 VAL 304 304 304 VAL VAL 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 MET 547 547 547 MET MET 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 ALA 581 581 581 ALA ALA 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 1 601 596 NAG NAG A . C 2 NAG 2 602 597 NAG NAG A . D 3 BMA 3 603 598 BMA MAN A . E 2 NAG 1 604 599 NAG NAG A . F 2 NAG 2 605 600 NAG NAG A . G 2 NAG 1 606 601 NAG NAG A . H 2 NAG 2 607 602 NAG NAG A . I 4 MAN 3 608 603 MAN MAN A . J 2 NAG 1 609 604 NAG NAG A . K 2 NAG 2 610 605 NAG NAG A . L 5 CA 1 611 1001 CA CA A . M 6 IOD 1 612 2001 IOD IOD A . N 6 IOD 1 613 2003 IOD IOD A . O 6 IOD 1 614 2004 IOD IOD A . P 6 IOD 1 615 2005 IOD IOD A . Q 6 IOD 1 616 2006 IOD IOD A . R 7 NO3 1 617 3001 NO3 NO3 A . S 7 NO3 1 618 3002 NO3 NO3 A . T 7 NO3 1 619 3004 NO3 NO3 A . U 7 NO3 1 620 3007 NO3 NO3 A . V 8 HEM 1 621 3008 HEM HEM A . W 9 SCN 1 622 9 SCN SCN A . X 9 SCN 1 623 10 SCN SCN A . Y 9 SCN 1 624 11 SCN SCN A . Z 9 SCN 1 625 12 SCN SCN A . AA 6 IOD 1 626 1 IOD IOD A . BA 10 HOH 1 701 3231 HOH HOH A . BA 10 HOH 2 702 3140 HOH HOH A . BA 10 HOH 3 703 3108 HOH HOH A . BA 10 HOH 4 704 3221 HOH HOH A . BA 10 HOH 5 705 3110 HOH HOH A . BA 10 HOH 6 706 3232 HOH HOH A . BA 10 HOH 7 707 3180 HOH HOH A . BA 10 HOH 8 708 7 HOH HOH A . BA 10 HOH 9 709 3197 HOH HOH A . BA 10 HOH 10 710 3198 HOH HOH A . BA 10 HOH 11 711 3083 HOH HOH A . BA 10 HOH 12 712 3174 HOH HOH A . BA 10 HOH 13 713 3051 HOH HOH A . BA 10 HOH 14 714 3167 HOH HOH A . BA 10 HOH 15 715 3097 HOH HOH A . BA 10 HOH 16 716 3106 HOH HOH A . BA 10 HOH 17 717 3079 HOH HOH A . BA 10 HOH 18 718 3064 HOH HOH A . BA 10 HOH 19 719 3194 HOH HOH A . BA 10 HOH 20 720 3176 HOH HOH A . BA 10 HOH 21 721 3159 HOH HOH A . BA 10 HOH 22 722 3062 HOH HOH A . BA 10 HOH 23 723 3133 HOH HOH A . BA 10 HOH 24 724 3217 HOH HOH A . BA 10 HOH 25 725 3115 HOH HOH A . BA 10 HOH 26 726 3190 HOH HOH A . BA 10 HOH 27 727 3244 HOH HOH A . BA 10 HOH 28 728 3168 HOH HOH A . BA 10 HOH 29 729 3010 HOH HOH A . BA 10 HOH 30 730 3011 HOH HOH A . BA 10 HOH 31 731 3012 HOH HOH A . BA 10 HOH 32 732 3013 HOH HOH A . BA 10 HOH 33 733 3014 HOH HOH A . BA 10 HOH 34 734 3015 HOH HOH A . BA 10 HOH 35 735 3016 HOH HOH A . BA 10 HOH 36 736 3017 HOH HOH A . BA 10 HOH 37 737 3018 HOH HOH A . BA 10 HOH 38 738 3019 HOH HOH A . BA 10 HOH 39 739 3020 HOH HOH A . BA 10 HOH 40 740 3023 HOH HOH A . BA 10 HOH 41 741 3025 HOH HOH A . BA 10 HOH 42 742 3026 HOH HOH A . BA 10 HOH 43 743 3030 HOH HOH A . BA 10 HOH 44 744 3031 HOH HOH A . BA 10 HOH 45 745 3032 HOH HOH A . BA 10 HOH 46 746 3034 HOH HOH A . BA 10 HOH 47 747 3035 HOH HOH A . BA 10 HOH 48 748 3036 HOH HOH A . BA 10 HOH 49 749 3037 HOH HOH A . BA 10 HOH 50 750 3039 HOH HOH A . BA 10 HOH 51 751 3040 HOH HOH A . BA 10 HOH 52 752 3041 HOH HOH A . BA 10 HOH 53 753 3042 HOH HOH A . BA 10 HOH 54 754 3044 HOH HOH A . BA 10 HOH 55 755 3045 HOH HOH A . BA 10 HOH 56 756 3047 HOH HOH A . BA 10 HOH 57 757 3049 HOH HOH A . BA 10 HOH 58 758 3050 HOH HOH A . BA 10 HOH 59 759 3055 HOH HOH A . BA 10 HOH 60 760 3056 HOH HOH A . BA 10 HOH 61 761 3057 HOH HOH A . BA 10 HOH 62 762 3058 HOH HOH A . BA 10 HOH 63 763 3059 HOH HOH A . BA 10 HOH 64 764 3061 HOH HOH A . BA 10 HOH 65 765 3063 HOH HOH A . BA 10 HOH 66 766 3065 HOH HOH A . BA 10 HOH 67 767 3066 HOH HOH A . BA 10 HOH 68 768 3067 HOH HOH A . BA 10 HOH 69 769 3068 HOH HOH A . BA 10 HOH 70 770 3069 HOH HOH A . BA 10 HOH 71 771 3071 HOH HOH A . BA 10 HOH 72 772 3072 HOH HOH A . BA 10 HOH 73 773 3073 HOH HOH A . BA 10 HOH 74 774 3075 HOH HOH A . BA 10 HOH 75 775 3076 HOH HOH A . BA 10 HOH 76 776 3078 HOH HOH A . BA 10 HOH 77 777 3080 HOH HOH A . BA 10 HOH 78 778 3082 HOH HOH A . BA 10 HOH 79 779 3084 HOH HOH A . BA 10 HOH 80 780 3085 HOH HOH A . BA 10 HOH 81 781 3086 HOH HOH A . BA 10 HOH 82 782 3088 HOH HOH A . BA 10 HOH 83 783 3089 HOH HOH A . BA 10 HOH 84 784 3090 HOH HOH A . BA 10 HOH 85 785 3091 HOH HOH A . BA 10 HOH 86 786 3092 HOH HOH A . BA 10 HOH 87 787 3095 HOH HOH A . BA 10 HOH 88 788 3096 HOH HOH A . BA 10 HOH 89 789 3098 HOH HOH A . BA 10 HOH 90 790 3099 HOH HOH A . BA 10 HOH 91 791 3100 HOH HOH A . BA 10 HOH 92 792 3102 HOH HOH A . BA 10 HOH 93 793 3103 HOH HOH A . BA 10 HOH 94 794 3104 HOH HOH A . BA 10 HOH 95 795 3105 HOH HOH A . BA 10 HOH 96 796 3107 HOH HOH A . BA 10 HOH 97 797 3109 HOH HOH A . BA 10 HOH 98 798 3111 HOH HOH A . BA 10 HOH 99 799 3112 HOH HOH A . BA 10 HOH 100 800 3113 HOH HOH A . BA 10 HOH 101 801 3116 HOH HOH A . BA 10 HOH 102 802 3118 HOH HOH A . BA 10 HOH 103 803 3119 HOH HOH A . BA 10 HOH 104 804 3120 HOH HOH A . BA 10 HOH 105 805 3123 HOH HOH A . BA 10 HOH 106 806 3124 HOH HOH A . BA 10 HOH 107 807 3126 HOH HOH A . BA 10 HOH 108 808 3127 HOH HOH A . BA 10 HOH 109 809 3128 HOH HOH A . BA 10 HOH 110 810 3130 HOH HOH A . BA 10 HOH 111 811 3131 HOH HOH A . BA 10 HOH 112 812 3137 HOH HOH A . BA 10 HOH 113 813 3138 HOH HOH A . BA 10 HOH 114 814 3142 HOH HOH A . BA 10 HOH 115 815 3143 HOH HOH A . BA 10 HOH 116 816 3144 HOH HOH A . BA 10 HOH 117 817 3145 HOH HOH A . BA 10 HOH 118 818 3146 HOH HOH A . BA 10 HOH 119 819 3149 HOH HOH A . BA 10 HOH 120 820 3151 HOH HOH A . BA 10 HOH 121 821 3152 HOH HOH A . BA 10 HOH 122 822 3153 HOH HOH A . BA 10 HOH 123 823 3154 HOH HOH A . BA 10 HOH 124 824 3156 HOH HOH A . BA 10 HOH 125 825 3158 HOH HOH A . BA 10 HOH 126 826 3161 HOH HOH A . BA 10 HOH 127 827 3162 HOH HOH A . BA 10 HOH 128 828 3163 HOH HOH A . BA 10 HOH 129 829 3166 HOH HOH A . BA 10 HOH 130 830 3169 HOH HOH A . BA 10 HOH 131 831 3170 HOH HOH A . BA 10 HOH 132 832 3173 HOH HOH A . BA 10 HOH 133 833 3175 HOH HOH A . BA 10 HOH 134 834 3177 HOH HOH A . BA 10 HOH 135 835 3179 HOH HOH A . BA 10 HOH 136 836 3181 HOH HOH A . BA 10 HOH 137 837 3182 HOH HOH A . BA 10 HOH 138 838 3183 HOH HOH A . BA 10 HOH 139 839 3184 HOH HOH A . BA 10 HOH 140 840 3185 HOH HOH A . BA 10 HOH 141 841 3187 HOH HOH A . BA 10 HOH 142 842 3188 HOH HOH A . BA 10 HOH 143 843 3191 HOH HOH A . BA 10 HOH 144 844 3192 HOH HOH A . BA 10 HOH 145 845 3193 HOH HOH A . BA 10 HOH 146 846 3195 HOH HOH A . BA 10 HOH 147 847 3199 HOH HOH A . BA 10 HOH 148 848 3200 HOH HOH A . BA 10 HOH 149 849 3201 HOH HOH A . BA 10 HOH 150 850 3202 HOH HOH A . BA 10 HOH 151 851 3203 HOH HOH A . BA 10 HOH 152 852 3205 HOH HOH A . BA 10 HOH 153 853 3208 HOH HOH A . BA 10 HOH 154 854 3209 HOH HOH A . BA 10 HOH 155 855 3212 HOH HOH A . BA 10 HOH 156 856 3213 HOH HOH A . BA 10 HOH 157 857 3216 HOH HOH A . BA 10 HOH 158 858 3222 HOH HOH A . BA 10 HOH 159 859 3227 HOH HOH A . BA 10 HOH 160 860 3228 HOH HOH A . BA 10 HOH 161 861 3229 HOH HOH A . BA 10 HOH 162 862 3230 HOH HOH A . BA 10 HOH 163 863 3233 HOH HOH A . BA 10 HOH 164 864 3237 HOH HOH A . BA 10 HOH 165 865 3238 HOH HOH A . BA 10 HOH 166 866 3241 HOH HOH A . BA 10 HOH 167 867 3242 HOH HOH A . BA 10 HOH 168 868 1 HOH HOH A . BA 10 HOH 169 869 2 HOH HOH A . BA 10 HOH 170 870 5 HOH HOH A . BA 10 HOH 171 871 8 HOH HOH A . BA 10 HOH 172 872 10 HOH HOH A . BA 10 HOH 173 873 11 HOH HOH A . BA 10 HOH 174 874 19 HOH HOH A . # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_defined_assembly _pdbx_struct_assembly.method_details ? _pdbx_struct_assembly.oligomeric_details monomeric _pdbx_struct_assembly.oligomeric_count 1 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H,I,J,K,L,M,N,O,P,Q,R,S,T,U,V,W,X,Y,Z,AA,BA # loop_ _pdbx_struct_assembly_prop.biol_id _pdbx_struct_assembly_prop.type _pdbx_struct_assembly_prop.value _pdbx_struct_assembly_prop.details 1 'ABSA (A^2)' 3800 ? 1 MORE -0 ? 1 'SSA (A^2)' 25380 ? # _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 611 ? 1_555 OD1 ? A ASP 110 ? A ASP 110 ? 1_555 73.6 ? 2 O ? A ASP 110 ? A ASP 110 ? 1_555 CA ? L CA . ? A CA 611 ? 1_555 O ? A THR 184 ? A THR 184 ? 1_555 75.9 ? 3 OD1 ? A ASP 110 ? A ASP 110 ? 1_555 CA ? L CA . ? A CA 611 ? 1_555 O ? A THR 184 ? A THR 184 ? 1_555 127.5 ? 4 O ? A ASP 110 ? A ASP 110 ? 1_555 CA ? L CA . ? A CA 611 ? 1_555 OG1 ? A THR 184 ? A THR 184 ? 1_555 129.0 ? 5 OD1 ? A ASP 110 ? A ASP 110 ? 1_555 CA ? L CA . ? A CA 611 ? 1_555 OG1 ? A THR 184 ? A THR 184 ? 1_555 156.4 ? 6 O ? A THR 184 ? A THR 184 ? 1_555 CA ? L CA . ? A CA 611 ? 1_555 OG1 ? A THR 184 ? A THR 184 ? 1_555 71.3 ? 7 O ? A ASP 110 ? A ASP 110 ? 1_555 CA ? L CA . ? A CA 611 ? 1_555 O ? A PHE 186 ? A PHE 186 ? 1_555 136.8 ? 8 OD1 ? A ASP 110 ? A ASP 110 ? 1_555 CA ? L CA . ? A CA 611 ? 1_555 O ? A PHE 186 ? A PHE 186 ? 1_555 79.1 ? 9 O ? A THR 184 ? A THR 184 ? 1_555 CA ? L CA . ? A CA 611 ? 1_555 O ? A PHE 186 ? A PHE 186 ? 1_555 96.0 ? 10 OG1 ? A THR 184 ? A THR 184 ? 1_555 CA ? L CA . ? A CA 611 ? 1_555 O ? A PHE 186 ? A PHE 186 ? 1_555 85.2 ? 11 O ? A ASP 110 ? A ASP 110 ? 1_555 CA ? L CA . ? A CA 611 ? 1_555 OD1 ? A ASP 188 ? A ASP 188 ? 1_555 157.5 ? 12 OD1 ? A ASP 110 ? A ASP 110 ? 1_555 CA ? L CA . ? A CA 611 ? 1_555 OD1 ? A ASP 188 ? A ASP 188 ? 1_555 94.4 ? 13 O ? A THR 184 ? A THR 184 ? 1_555 CA ? L CA . ? A CA 611 ? 1_555 OD1 ? A ASP 188 ? A ASP 188 ? 1_555 125.5 ? 14 OG1 ? A THR 184 ? A THR 184 ? 1_555 CA ? L CA . ? A CA 611 ? 1_555 OD1 ? A ASP 188 ? A ASP 188 ? 1_555 62.0 ? 15 O ? A PHE 186 ? A PHE 186 ? 1_555 CA ? L CA . ? A CA 611 ? 1_555 OD1 ? A ASP 188 ? A ASP 188 ? 1_555 55.2 ? 16 O ? A ASP 110 ? A ASP 110 ? 1_555 CA ? L CA . ? A CA 611 ? 1_555 OG ? A SER 190 ? A SER 190 ? 1_555 81.3 ? 17 OD1 ? A ASP 110 ? A ASP 110 ? 1_555 CA ? L CA . ? A CA 611 ? 1_555 OG ? A SER 190 ? A SER 190 ? 1_555 96.8 ? 18 O ? A THR 184 ? A THR 184 ? 1_555 CA ? L CA . ? A CA 611 ? 1_555 OG ? A SER 190 ? A SER 190 ? 1_555 119.5 ? 19 OG1 ? A THR 184 ? A THR 184 ? 1_555 CA ? L CA . ? A CA 611 ? 1_555 OG ? A SER 190 ? A SER 190 ? 1_555 82.1 ? 20 O ? A PHE 186 ? A PHE 186 ? 1_555 CA ? L CA . ? A CA 611 ? 1_555 OG ? A SER 190 ? A SER 190 ? 1_555 135.5 ? 21 OD1 ? A ASP 188 ? A ASP 188 ? 1_555 CA ? L CA . ? A CA 611 ? 1_555 OG ? A SER 190 ? A SER 190 ? 1_555 81.3 ? 22 NE2 ? A HIS 351 ? A HIS 351 ? 1_555 FE ? V HEM . ? A HEM 621 ? 1_555 NA ? V HEM . ? A HEM 621 ? 1_555 97.5 ? 23 NE2 ? A HIS 351 ? A HIS 351 ? 1_555 FE ? V HEM . ? A HEM 621 ? 1_555 NB ? V HEM . ? A HEM 621 ? 1_555 90.4 ? 24 NA ? V HEM . ? A HEM 621 ? 1_555 FE ? V HEM . ? A HEM 621 ? 1_555 NB ? V HEM . ? A HEM 621 ? 1_555 90.6 ? 25 NE2 ? A HIS 351 ? A HIS 351 ? 1_555 FE ? V HEM . ? A HEM 621 ? 1_555 NC ? V HEM . ? A HEM 621 ? 1_555 84.8 ? 26 NA ? V HEM . ? A HEM 621 ? 1_555 FE ? V HEM . ? A HEM 621 ? 1_555 NC ? V HEM . ? A HEM 621 ? 1_555 177.5 ? 27 NB ? V HEM . ? A HEM 621 ? 1_555 FE ? V HEM . ? A HEM 621 ? 1_555 NC ? V HEM . ? A HEM 621 ? 1_555 88.6 ? 28 NE2 ? A HIS 351 ? A HIS 351 ? 1_555 FE ? V HEM . ? A HEM 621 ? 1_555 ND ? V HEM . ? A HEM 621 ? 1_555 91.5 ? 29 NA ? V HEM . ? A HEM 621 ? 1_555 FE ? V HEM . ? A HEM 621 ? 1_555 ND ? V HEM . ? A HEM 621 ? 1_555 88.8 ? 30 NB ? V HEM . ? A HEM 621 ? 1_555 FE ? V HEM . ? A HEM 621 ? 1_555 ND ? V HEM . ? A HEM 621 ? 1_555 178.1 ? 31 NC ? V HEM . ? A HEM 621 ? 1_555 FE ? V HEM . ? A HEM 621 ? 1_555 ND ? V HEM . ? A HEM 621 ? 1_555 91.9 ? 32 NE2 ? A HIS 351 ? A HIS 351 ? 1_555 FE ? V HEM . ? A HEM 621 ? 1_555 O ? BA HOH . ? A HOH 869 ? 1_555 174.6 ? 33 NA ? V HEM . ? A HEM 621 ? 1_555 FE ? V HEM . ? A HEM 621 ? 1_555 O ? BA HOH . ? A HOH 869 ? 1_555 77.1 ? 34 NB ? V HEM . ? A HEM 621 ? 1_555 FE ? V HEM . ? A HEM 621 ? 1_555 O ? BA HOH . ? A HOH 869 ? 1_555 89.4 ? 35 NC ? V HEM . ? A HEM 621 ? 1_555 FE ? V HEM . ? A HEM 621 ? 1_555 O ? BA HOH . ? A HOH 869 ? 1_555 100.6 ? 36 ND ? V HEM . ? A HEM 621 ? 1_555 FE ? V HEM . ? A HEM 621 ? 1_555 O ? BA HOH . ? A HOH 869 ? 1_555 88.7 ? # _pdbx_audit_revision_history.ordinal 1 _pdbx_audit_revision_history.data_content_type 'Structure model' _pdbx_audit_revision_history.major_revision 1 _pdbx_audit_revision_history.minor_revision 0 _pdbx_audit_revision_history.revision_date 2015-03-25 # _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 ? # _phasing.method MR # loop_ _software.citation_id _software.classification _software.compiler_name _software.compiler_version _software.contact_author _software.contact_author_email _software.date _software.description _software.dependencies _software.hardware _software.language _software.location _software.mods _software.name _software.os _software.os_version _software.type _software.version _software.pdbx_ordinal ? refinement ? ? ? ? ? ? ? ? ? ? ? REFMAC ? ? ? 5.7.0032 1 ? 'data collection' ? ? ? ? ? ? ? ? ? ? ? HKL-2000 ? ? ? . 2 ? 'data extraction' ? ? ? ? ? ? ? ? ? ? ? PDB_EXTRACT ? ? ? 3.15 3 ? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? AUTOMAR ? ? ? . 4 ? 'data scaling' ? ? ? ? ? ? ? ? ? ? ? AUTOMAR ? ? ? . 5 ? phasing ? ? ? ? ? ? ? ? ? ? ? AMoRE ? ? ? . 6 # loop_ _pdbx_validate_close_contact.id _pdbx_validate_close_contact.PDB_model_num _pdbx_validate_close_contact.auth_atom_id_1 _pdbx_validate_close_contact.auth_asym_id_1 _pdbx_validate_close_contact.auth_comp_id_1 _pdbx_validate_close_contact.auth_seq_id_1 _pdbx_validate_close_contact.PDB_ins_code_1 _pdbx_validate_close_contact.label_alt_id_1 _pdbx_validate_close_contact.auth_atom_id_2 _pdbx_validate_close_contact.auth_asym_id_2 _pdbx_validate_close_contact.auth_comp_id_2 _pdbx_validate_close_contact.auth_seq_id_2 _pdbx_validate_close_contact.PDB_ins_code_2 _pdbx_validate_close_contact.label_alt_id_2 _pdbx_validate_close_contact.dist 1 1 CD2 A TYR 172 ? ? O A HOH 753 ? ? 1.04 2 1 O A SER 1 ? ? O A HOH 701 ? ? 1.06 3 1 OD2 A ASP 221 ? ? O A HOH 790 ? ? 1.80 4 1 CE2 A TYR 172 ? ? O A HOH 753 ? ? 1.91 5 1 C A SER 1 ? ? O A HOH 701 ? ? 2.04 6 1 O A PHE 519 ? ? CG1 A ILE 522 ? ? 2.13 7 1 O A THR 463 ? ? N A GLY 466 ? ? 2.15 8 1 OE2 A GLU 130 ? ? ND1 A HIS 426 ? ? 2.17 # loop_ _pdbx_validate_symm_contact.id _pdbx_validate_symm_contact.PDB_model_num _pdbx_validate_symm_contact.auth_atom_id_1 _pdbx_validate_symm_contact.auth_asym_id_1 _pdbx_validate_symm_contact.auth_comp_id_1 _pdbx_validate_symm_contact.auth_seq_id_1 _pdbx_validate_symm_contact.PDB_ins_code_1 _pdbx_validate_symm_contact.label_alt_id_1 _pdbx_validate_symm_contact.site_symmetry_1 _pdbx_validate_symm_contact.auth_atom_id_2 _pdbx_validate_symm_contact.auth_asym_id_2 _pdbx_validate_symm_contact.auth_comp_id_2 _pdbx_validate_symm_contact.auth_seq_id_2 _pdbx_validate_symm_contact.PDB_ins_code_2 _pdbx_validate_symm_contact.label_alt_id_2 _pdbx_validate_symm_contact.site_symmetry_2 _pdbx_validate_symm_contact.dist 1 1 CE1 A HIS 222 ? ? 1_555 OE2 A GLU 538 ? ? 2_555 1.68 2 1 ND1 A HIS 222 ? ? 1_555 OE2 A GLU 538 ? ? 2_555 1.88 # 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 N A ALA 56 ? ? CA A ALA 56 ? ? CB A ALA 56 ? ? 98.91 110.10 -11.19 1.40 N 2 1 O A ALA 56 ? ? C A ALA 56 ? ? N A LEU 57 ? ? 111.55 122.70 -11.15 1.60 Y 3 1 NE A ARG 67 ? ? CZ A ARG 67 ? ? NH1 A ARG 67 ? ? 123.90 120.30 3.60 0.50 N 4 1 CB A GLU 118 ? ? CA A GLU 118 ? ? C A GLU 118 ? ? 81.21 110.40 -29.19 2.00 N 5 1 N A GLU 118 ? ? CA A GLU 118 ? ? C A GLU 118 ? ? 129.47 111.00 18.47 2.70 N 6 1 CB A LEU 119 ? ? CA A LEU 119 ? ? C A LEU 119 ? ? 130.01 110.20 19.81 1.90 N 7 1 N A LEU 119 ? ? CA A LEU 119 ? ? CB A LEU 119 ? ? 93.29 110.40 -17.11 2.00 N 8 1 N A PRO 168 ? ? CA A PRO 168 ? ? CB A PRO 168 ? ? 92.20 103.30 -11.10 1.20 N 9 1 N A THR 169 ? ? CA A THR 169 ? ? CB A THR 169 ? ? 88.08 110.30 -22.22 1.90 N 10 1 CB A GLN 423 ? ? CA A GLN 423 ? ? C A GLN 423 ? ? 132.24 110.40 21.84 2.00 N 11 1 C A GLN 423 ? ? N A PRO 424 ? ? CD A PRO 424 ? ? 111.61 128.40 -16.79 2.10 Y 12 1 C A MET 501 ? ? N A VAL 502 ? ? CA A VAL 502 ? ? 136.71 121.70 15.01 2.50 Y 13 1 CB A VAL 502 ? ? CA A VAL 502 ? ? C A VAL 502 ? ? 130.39 111.40 18.99 1.90 N 14 1 N A VAL 502 ? ? CA A VAL 502 ? ? C A VAL 502 ? ? 94.16 111.00 -16.84 2.70 N 15 1 N A GLU 503 ? ? CA A GLU 503 ? ? CB A GLU 503 ? ? 98.47 110.60 -12.13 1.80 N # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 TRP A 2 ? ? 166.61 159.48 2 1 ASN A 18 ? ? 76.50 -14.70 3 1 CYS A 28 ? ? 80.71 12.33 4 1 LEU A 43 ? ? -48.67 158.02 5 1 LEU A 55 ? ? -118.15 -86.43 6 1 PHE A 59 ? ? -34.29 122.78 7 1 VAL A 91 ? ? -106.07 61.92 8 1 ASP A 93 ? ? -54.34 107.10 9 1 SER A 121 ? ? -79.77 -74.74 10 1 ASP A 137 ? ? 59.04 -116.93 11 1 ASN A 147 ? ? 92.67 2.49 12 1 VAL A 166 ? ? -77.14 -164.79 13 1 CYS A 167 ? ? 68.55 -112.98 14 1 TYR A 172 ? ? -123.04 -164.72 15 1 GLN A 173 ? ? 172.77 46.42 16 1 SER A 174 ? ? -134.88 -71.81 17 1 LEU A 187 ? ? -47.08 80.46 18 1 ALA A 189 ? ? 29.16 50.48 19 1 LEU A 206 ? ? -106.34 40.77 20 1 PRO A 209 ? ? -93.71 48.12 21 1 ARG A 232 ? ? -37.33 130.13 22 1 LEU A 268 ? ? -74.79 22.27 23 1 LEU A 269 ? ? -137.14 -50.28 24 1 ASP A 288 ? ? -48.27 161.90 25 1 ARG A 297 ? ? -34.68 -38.51 26 1 ASP A 389 ? ? -131.53 -110.10 27 1 LEU A 464 ? ? -34.32 -34.56 28 1 LYS A 472 ? ? 32.51 52.84 29 1 ASN A 473 ? ? -165.32 98.30 30 1 LYS A 485 ? ? 77.66 -3.96 31 1 VAL A 502 ? ? 52.53 -138.19 32 1 ARG A 504 ? ? 67.36 -3.30 33 1 PRO A 589 ? ? -55.34 -7.22 # loop_ _pdbx_validate_peptide_omega.id _pdbx_validate_peptide_omega.PDB_model_num _pdbx_validate_peptide_omega.auth_comp_id_1 _pdbx_validate_peptide_omega.auth_asym_id_1 _pdbx_validate_peptide_omega.auth_seq_id_1 _pdbx_validate_peptide_omega.PDB_ins_code_1 _pdbx_validate_peptide_omega.label_alt_id_1 _pdbx_validate_peptide_omega.auth_comp_id_2 _pdbx_validate_peptide_omega.auth_asym_id_2 _pdbx_validate_peptide_omega.auth_seq_id_2 _pdbx_validate_peptide_omega.PDB_ins_code_2 _pdbx_validate_peptide_omega.label_alt_id_2 _pdbx_validate_peptide_omega.omega 1 1 THR A 169 ? ? PRO A 170 ? ? 148.57 2 1 GLY A 391 ? ? ILE A 392 ? ? 141.46 # _pdbx_distant_solvent_atoms.id 1 _pdbx_distant_solvent_atoms.PDB_model_num 1 _pdbx_distant_solvent_atoms.auth_atom_id O _pdbx_distant_solvent_atoms.label_alt_id ? _pdbx_distant_solvent_atoms.auth_asym_id A _pdbx_distant_solvent_atoms.auth_comp_id HOH _pdbx_distant_solvent_atoms.auth_seq_id 797 _pdbx_distant_solvent_atoms.PDB_ins_code ? _pdbx_distant_solvent_atoms.neighbor_macromolecule_distance 6.03 _pdbx_distant_solvent_atoms.neighbor_ligand_distance . # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 N-ACETYL-D-GLUCOSAMINE NAG 3 BETA-D-MANNOSE BMA 4 ALPHA-D-MANNOSE MAN 5 'CALCIUM ION' CA 6 'IODIDE ION' IOD 7 'NITRATE ION' NO3 8 'PROTOPORPHYRIN IX CONTAINING FE' HEM 9 'THIOCYANATE ION' SCN 10 water HOH #