data_1XLW # _entry.id 1XLW # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.286 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 1XLW RCSB RCSB030494 WWPDB D_1000030494 # loop_ _pdbx_database_related.db_name _pdbx_database_related.db_id _pdbx_database_related.details _pdbx_database_related.content_type PDB 1POI . unspecified PDB 1POM . unspecified PDB 1POP . unspecified PDB 1POQ . unspecified PDB 1XLU . unspecified PDB 1XLV . unspecified # _pdbx_database_status.entry_id 1XLW _pdbx_database_status.status_code REL _pdbx_database_status.recvd_initial_deposition_date 2004-09-30 _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site RCSB _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.SG_entry N _pdbx_database_status.pdb_format_compatible Y _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Nachon, F.' 1 'Asojo, O.A.' 2 'Borgstahl, G.E.O.' 3 'Masson, P.' 4 'Lockridge, O.' 5 # loop_ _citation.id _citation.title _citation.journal_abbrev _citation.journal_volume _citation.page_first _citation.page_last _citation.year _citation.journal_id_ASTM _citation.country _citation.journal_id_ISSN _citation.journal_id_CSD _citation.book_publisher _citation.pdbx_database_id_PubMed _citation.pdbx_database_id_DOI primary ;Role of Water in Aging of Human Butyrylcholinesterase Inhibited by Echothiophate: The Crystal Structure Suggests Two Alternative Mechanisms of Aging ; Biochemistry 44 1154 1162 2005 BICHAW US 0006-2960 0033 ? 15667209 10.1021/bi048238d 1 ;Engineering of a monomeric and low-glycosylated form of human butyrylcholinesterase: expression, purification, characterization and crystallization ; Eur.J.Biochem. 269 630 666 2002 EJBCAI IX 0014-2956 0262 ? ? ? 2 'Crystal structure of human butyrylcholinesterase and of its complexes with substrate and products' J.Biol.Chem. 278 41141 41147 2003 JBCHA3 US 0021-9258 0071 ? ? ? # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Nachon, F.' 1 primary 'Asojo, O.A.' 2 primary 'Borgstahl, G.E.O.' 3 primary 'Masson, P.' 4 primary 'Lockridge, O.' 5 1 'Nachon, F.' 6 1 'Nicolet, Y.' 7 1 'Viguie, N.' 8 1 'Masson, P.' 9 1 'Fontecilla-Camps, J.C.' 10 1 'Lockridge, O.' 11 2 'Nicolet, Y.' 12 2 'Lockridge, O.' 13 2 'Masson, P.' 14 2 'Fontecilla-Camps, J.C.' 15 2 'Nachon, F.' 16 # _cell.entry_id 1XLW _cell.length_a 154.463 _cell.length_b 154.463 _cell.length_c 127.011 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 90.00 _cell.Z_PDB 16 _cell.pdbx_unique_axis ? _cell.length_a_esd ? _cell.length_b_esd ? _cell.length_c_esd ? _cell.angle_alpha_esd ? _cell.angle_beta_esd ? _cell.angle_gamma_esd ? # _symmetry.entry_id 1XLW _symmetry.space_group_name_H-M 'I 4 2 2' _symmetry.cell_setting tetragonal _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.Int_Tables_number 97 _symmetry.space_group_name_Hall ? # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details 1 polymer man BUTYRYLCHOLINESTERASE 59745.574 1 3.1.1.8 aged ? 'nonaged, Ser 198 covalently bound to DEP' 2 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 8 ? ? ? ? 3 non-polymer man BETA-L-FUCOSE 164.156 1 ? ? ? ? 4 non-polymer man ALPHA-L-FUCOSE 164.156 2 ? ? ? ? 5 non-polymer syn 'SULFATE ION' 96.063 4 ? ? ? ? 6 non-polymer syn 'CHLORIDE ION' 35.453 2 ? ? ? ? 7 non-polymer syn 'DIETHYL PHOSPHONATE' 138.102 1 ? ? ? ? 8 non-polymer syn GLYCEROL 92.094 3 ? ? ? ? 9 water nat water 18.015 290 ? ? ? ? # _entity_name_com.entity_id 1 _entity_name_com.name 'Acylcholine acylhydrolase; Choline esterase II; Butyrylcholine esterase; Pseudocholinesterase' # _entity_name_sys.entity_id 1 _entity_name_sys.name E.C.3.1.1.8 # _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 ;EDDIIIATKNGKVRGMQLTVFGGTVTAFLGIPYAQPPLGRLRFKKPQSLTKWSDIWNATKYANSC(CSS)QNIDQSFPGF HGSEMWNPNTDLSEDCLYLNVWIPAPKPKNATVLIWIYGGGFQTGTSSLHVYDGKFLARVERVIVVSMNYRVGALGFLAL PGNPEAPGNMGLFDQQLALQWVQKNIAAFGGNPKSVTLFGESAGAASVSLHLLSPGSHSLFTRAILQSGSFNAPWAVTSL YEARNRTLNLAKLTGCSRENETEIIKCLRNKDPQEILLNEAFVVPYGTPLSVNFGPTVDGDFLTDMPDILLELGQFKKTQ ILVGVNKDEGTAFLVYGAPGFSKDNNSIITRKEFQEGLKIFFPGVSEFGKESILFHYTDWVDDQRPENYREALGDVVGDY NFICPALEFTKKFSEWGNNAFFYYFEHRSSKLPWPEWMGVMHGYEIEFVFGLPLERRDQYTKAEEILSRSIVKRWANFAK YGNPQETQNQSTSWPVFKSTEQKYLTLNTESTRIMTKLRAQQCRFWTSFFPKV ; _entity_poly.pdbx_seq_one_letter_code_can ;EDDIIIATKNGKVRGMQLTVFGGTVTAFLGIPYAQPPLGRLRFKKPQSLTKWSDIWNATKYANSCCQNIDQSFPGFHGSE MWNPNTDLSEDCLYLNVWIPAPKPKNATVLIWIYGGGFQTGTSSLHVYDGKFLARVERVIVVSMNYRVGALGFLALPGNP EAPGNMGLFDQQLALQWVQKNIAAFGGNPKSVTLFGESAGAASVSLHLLSPGSHSLFTRAILQSGSFNAPWAVTSLYEAR NRTLNLAKLTGCSRENETEIIKCLRNKDPQEILLNEAFVVPYGTPLSVNFGPTVDGDFLTDMPDILLELGQFKKTQILVG VNKDEGTAFLVYGAPGFSKDNNSIITRKEFQEGLKIFFPGVSEFGKESILFHYTDWVDDQRPENYREALGDVVGDYNFIC PALEFTKKFSEWGNNAFFYYFEHRSSKLPWPEWMGVMHGYEIEFVFGLPLERRDQYTKAEEILSRSIVKRWANFAKYGNP QETQNQSTSWPVFKSTEQKYLTLNTESTRIMTKLRAQQCRFWTSFFPKV ; _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 GLU n 1 2 ASP n 1 3 ASP n 1 4 ILE n 1 5 ILE n 1 6 ILE n 1 7 ALA n 1 8 THR n 1 9 LYS n 1 10 ASN n 1 11 GLY n 1 12 LYS n 1 13 VAL n 1 14 ARG n 1 15 GLY n 1 16 MET n 1 17 GLN n 1 18 LEU n 1 19 THR n 1 20 VAL n 1 21 PHE n 1 22 GLY n 1 23 GLY n 1 24 THR n 1 25 VAL n 1 26 THR n 1 27 ALA n 1 28 PHE n 1 29 LEU n 1 30 GLY n 1 31 ILE n 1 32 PRO n 1 33 TYR n 1 34 ALA n 1 35 GLN n 1 36 PRO n 1 37 PRO n 1 38 LEU n 1 39 GLY n 1 40 ARG n 1 41 LEU n 1 42 ARG n 1 43 PHE n 1 44 LYS n 1 45 LYS n 1 46 PRO n 1 47 GLN n 1 48 SER n 1 49 LEU n 1 50 THR n 1 51 LYS n 1 52 TRP n 1 53 SER n 1 54 ASP n 1 55 ILE n 1 56 TRP n 1 57 ASN n 1 58 ALA n 1 59 THR n 1 60 LYS n 1 61 TYR n 1 62 ALA n 1 63 ASN n 1 64 SER n 1 65 CYS n 1 66 CSS n 1 67 GLN n 1 68 ASN n 1 69 ILE n 1 70 ASP n 1 71 GLN n 1 72 SER n 1 73 PHE n 1 74 PRO n 1 75 GLY n 1 76 PHE n 1 77 HIS n 1 78 GLY n 1 79 SER n 1 80 GLU n 1 81 MET n 1 82 TRP n 1 83 ASN n 1 84 PRO n 1 85 ASN n 1 86 THR n 1 87 ASP n 1 88 LEU n 1 89 SER n 1 90 GLU n 1 91 ASP n 1 92 CYS n 1 93 LEU n 1 94 TYR n 1 95 LEU n 1 96 ASN n 1 97 VAL n 1 98 TRP n 1 99 ILE n 1 100 PRO n 1 101 ALA n 1 102 PRO n 1 103 LYS n 1 104 PRO n 1 105 LYS n 1 106 ASN n 1 107 ALA n 1 108 THR n 1 109 VAL n 1 110 LEU n 1 111 ILE n 1 112 TRP n 1 113 ILE n 1 114 TYR n 1 115 GLY n 1 116 GLY n 1 117 GLY n 1 118 PHE n 1 119 GLN n 1 120 THR n 1 121 GLY n 1 122 THR n 1 123 SER n 1 124 SER n 1 125 LEU n 1 126 HIS n 1 127 VAL n 1 128 TYR n 1 129 ASP n 1 130 GLY n 1 131 LYS n 1 132 PHE n 1 133 LEU n 1 134 ALA n 1 135 ARG n 1 136 VAL n 1 137 GLU n 1 138 ARG n 1 139 VAL n 1 140 ILE n 1 141 VAL n 1 142 VAL n 1 143 SER n 1 144 MET n 1 145 ASN n 1 146 TYR n 1 147 ARG n 1 148 VAL n 1 149 GLY n 1 150 ALA n 1 151 LEU n 1 152 GLY n 1 153 PHE n 1 154 LEU n 1 155 ALA n 1 156 LEU n 1 157 PRO n 1 158 GLY n 1 159 ASN n 1 160 PRO n 1 161 GLU n 1 162 ALA n 1 163 PRO n 1 164 GLY n 1 165 ASN n 1 166 MET n 1 167 GLY n 1 168 LEU n 1 169 PHE n 1 170 ASP n 1 171 GLN n 1 172 GLN n 1 173 LEU n 1 174 ALA n 1 175 LEU n 1 176 GLN n 1 177 TRP n 1 178 VAL n 1 179 GLN n 1 180 LYS n 1 181 ASN n 1 182 ILE n 1 183 ALA n 1 184 ALA n 1 185 PHE n 1 186 GLY n 1 187 GLY n 1 188 ASN n 1 189 PRO n 1 190 LYS n 1 191 SER n 1 192 VAL n 1 193 THR n 1 194 LEU n 1 195 PHE n 1 196 GLY n 1 197 GLU n 1 198 SER n 1 199 ALA n 1 200 GLY n 1 201 ALA n 1 202 ALA n 1 203 SER n 1 204 VAL n 1 205 SER n 1 206 LEU n 1 207 HIS n 1 208 LEU n 1 209 LEU n 1 210 SER n 1 211 PRO n 1 212 GLY n 1 213 SER n 1 214 HIS n 1 215 SER n 1 216 LEU n 1 217 PHE n 1 218 THR n 1 219 ARG n 1 220 ALA n 1 221 ILE n 1 222 LEU n 1 223 GLN n 1 224 SER n 1 225 GLY n 1 226 SER n 1 227 PHE n 1 228 ASN n 1 229 ALA n 1 230 PRO n 1 231 TRP n 1 232 ALA n 1 233 VAL n 1 234 THR n 1 235 SER n 1 236 LEU n 1 237 TYR n 1 238 GLU n 1 239 ALA n 1 240 ARG n 1 241 ASN n 1 242 ARG n 1 243 THR n 1 244 LEU n 1 245 ASN n 1 246 LEU n 1 247 ALA n 1 248 LYS n 1 249 LEU n 1 250 THR n 1 251 GLY n 1 252 CYS n 1 253 SER n 1 254 ARG n 1 255 GLU n 1 256 ASN n 1 257 GLU n 1 258 THR n 1 259 GLU n 1 260 ILE n 1 261 ILE n 1 262 LYS n 1 263 CYS n 1 264 LEU n 1 265 ARG n 1 266 ASN n 1 267 LYS n 1 268 ASP n 1 269 PRO n 1 270 GLN n 1 271 GLU n 1 272 ILE n 1 273 LEU n 1 274 LEU n 1 275 ASN n 1 276 GLU n 1 277 ALA n 1 278 PHE n 1 279 VAL n 1 280 VAL n 1 281 PRO n 1 282 TYR n 1 283 GLY n 1 284 THR n 1 285 PRO n 1 286 LEU n 1 287 SER n 1 288 VAL n 1 289 ASN n 1 290 PHE n 1 291 GLY n 1 292 PRO n 1 293 THR n 1 294 VAL n 1 295 ASP n 1 296 GLY n 1 297 ASP n 1 298 PHE n 1 299 LEU n 1 300 THR n 1 301 ASP n 1 302 MET n 1 303 PRO n 1 304 ASP n 1 305 ILE n 1 306 LEU n 1 307 LEU n 1 308 GLU n 1 309 LEU n 1 310 GLY n 1 311 GLN n 1 312 PHE n 1 313 LYS n 1 314 LYS n 1 315 THR n 1 316 GLN n 1 317 ILE n 1 318 LEU n 1 319 VAL n 1 320 GLY n 1 321 VAL n 1 322 ASN n 1 323 LYS n 1 324 ASP n 1 325 GLU n 1 326 GLY n 1 327 THR n 1 328 ALA n 1 329 PHE n 1 330 LEU n 1 331 VAL n 1 332 TYR n 1 333 GLY n 1 334 ALA n 1 335 PRO n 1 336 GLY n 1 337 PHE n 1 338 SER n 1 339 LYS n 1 340 ASP n 1 341 ASN n 1 342 ASN n 1 343 SER n 1 344 ILE n 1 345 ILE n 1 346 THR n 1 347 ARG n 1 348 LYS n 1 349 GLU n 1 350 PHE n 1 351 GLN n 1 352 GLU n 1 353 GLY n 1 354 LEU n 1 355 LYS n 1 356 ILE n 1 357 PHE n 1 358 PHE n 1 359 PRO n 1 360 GLY n 1 361 VAL n 1 362 SER n 1 363 GLU n 1 364 PHE n 1 365 GLY n 1 366 LYS n 1 367 GLU n 1 368 SER n 1 369 ILE n 1 370 LEU n 1 371 PHE n 1 372 HIS n 1 373 TYR n 1 374 THR n 1 375 ASP n 1 376 TRP n 1 377 VAL n 1 378 ASP n 1 379 ASP n 1 380 GLN n 1 381 ARG n 1 382 PRO n 1 383 GLU n 1 384 ASN n 1 385 TYR n 1 386 ARG n 1 387 GLU n 1 388 ALA n 1 389 LEU n 1 390 GLY n 1 391 ASP n 1 392 VAL n 1 393 VAL n 1 394 GLY n 1 395 ASP n 1 396 TYR n 1 397 ASN n 1 398 PHE n 1 399 ILE n 1 400 CYS n 1 401 PRO n 1 402 ALA n 1 403 LEU n 1 404 GLU n 1 405 PHE n 1 406 THR n 1 407 LYS n 1 408 LYS n 1 409 PHE n 1 410 SER n 1 411 GLU n 1 412 TRP n 1 413 GLY n 1 414 ASN n 1 415 ASN n 1 416 ALA n 1 417 PHE n 1 418 PHE n 1 419 TYR n 1 420 TYR n 1 421 PHE n 1 422 GLU n 1 423 HIS n 1 424 ARG n 1 425 SER n 1 426 SER n 1 427 LYS n 1 428 LEU n 1 429 PRO n 1 430 TRP n 1 431 PRO n 1 432 GLU n 1 433 TRP n 1 434 MET n 1 435 GLY n 1 436 VAL n 1 437 MET n 1 438 HIS n 1 439 GLY n 1 440 TYR n 1 441 GLU n 1 442 ILE n 1 443 GLU n 1 444 PHE n 1 445 VAL n 1 446 PHE n 1 447 GLY n 1 448 LEU n 1 449 PRO n 1 450 LEU n 1 451 GLU n 1 452 ARG n 1 453 ARG n 1 454 ASP n 1 455 GLN n 1 456 TYR n 1 457 THR n 1 458 LYS n 1 459 ALA n 1 460 GLU n 1 461 GLU n 1 462 ILE n 1 463 LEU n 1 464 SER n 1 465 ARG n 1 466 SER n 1 467 ILE n 1 468 VAL n 1 469 LYS n 1 470 ARG n 1 471 TRP n 1 472 ALA n 1 473 ASN n 1 474 PHE n 1 475 ALA n 1 476 LYS n 1 477 TYR n 1 478 GLY n 1 479 ASN n 1 480 PRO n 1 481 GLN n 1 482 GLU n 1 483 THR n 1 484 GLN n 1 485 ASN n 1 486 GLN n 1 487 SER n 1 488 THR n 1 489 SER n 1 490 TRP n 1 491 PRO n 1 492 VAL n 1 493 PHE n 1 494 LYS n 1 495 SER n 1 496 THR n 1 497 GLU n 1 498 GLN n 1 499 LYS n 1 500 TYR n 1 501 LEU n 1 502 THR n 1 503 LEU n 1 504 ASN n 1 505 THR n 1 506 GLU n 1 507 SER n 1 508 THR n 1 509 ARG n 1 510 ILE n 1 511 MET n 1 512 THR n 1 513 LYS n 1 514 LEU n 1 515 ARG n 1 516 ALA n 1 517 GLN n 1 518 GLN n 1 519 CYS n 1 520 ARG n 1 521 PHE n 1 522 TRP n 1 523 THR n 1 524 SER n 1 525 PHE n 1 526 PHE n 1 527 PRO n 1 528 LYS n 1 529 VAL n # _entity_src_gen.entity_id 1 _entity_src_gen.pdbx_src_id 1 _entity_src_gen.pdbx_alt_source_flag sample _entity_src_gen.pdbx_seq_type ? _entity_src_gen.pdbx_beg_seq_num ? _entity_src_gen.pdbx_end_seq_num ? _entity_src_gen.gene_src_common_name human _entity_src_gen.gene_src_genus Homo _entity_src_gen.pdbx_gene_src_gene ? _entity_src_gen.gene_src_species ? _entity_src_gen.gene_src_strain ? _entity_src_gen.gene_src_tissue ? _entity_src_gen.gene_src_tissue_fraction ? _entity_src_gen.gene_src_details ? _entity_src_gen.pdbx_gene_src_fragment ? _entity_src_gen.pdbx_gene_src_scientific_name 'Homo sapiens' _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 9606 _entity_src_gen.pdbx_gene_src_variant ? _entity_src_gen.pdbx_gene_src_cell_line ? _entity_src_gen.pdbx_gene_src_atcc ? _entity_src_gen.pdbx_gene_src_organ ? _entity_src_gen.pdbx_gene_src_organelle ? _entity_src_gen.pdbx_gene_src_cell ? _entity_src_gen.pdbx_gene_src_cellular_location ? _entity_src_gen.host_org_common_name 'Chinese hamster' _entity_src_gen.pdbx_host_org_scientific_name 'Cricetulus griseus' _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 10029 _entity_src_gen.host_org_genus Cricetulus _entity_src_gen.pdbx_host_org_gene ? _entity_src_gen.pdbx_host_org_organ ? _entity_src_gen.host_org_species ? _entity_src_gen.pdbx_host_org_tissue ? _entity_src_gen.pdbx_host_org_tissue_fraction ? _entity_src_gen.pdbx_host_org_strain ? _entity_src_gen.pdbx_host_org_variant ? _entity_src_gen.pdbx_host_org_cell_line ? _entity_src_gen.pdbx_host_org_atcc ? _entity_src_gen.pdbx_host_org_culture_collection ? _entity_src_gen.pdbx_host_org_cell 'Baby Hampster Kidney Cells' _entity_src_gen.pdbx_host_org_organelle ? _entity_src_gen.pdbx_host_org_cellular_location ? _entity_src_gen.pdbx_host_org_vector_type Plasmid _entity_src_gen.pdbx_host_org_vector ? _entity_src_gen.host_org_details ? _entity_src_gen.expression_system_id ? _entity_src_gen.plasmid_name PGS _entity_src_gen.plasmid_details ? _entity_src_gen.pdbx_description ? # _struct_ref.id 1 _struct_ref.entity_id 1 _struct_ref.db_name UNP _struct_ref.db_code CHLE_HUMAN _struct_ref.pdbx_db_accession P06276 _struct_ref.pdbx_align_begin 29 _struct_ref.pdbx_seq_one_letter_code ;EDDIIIATKNGKVRGMNLTVFGGTVTAFLGIPYAQPPLGRLRFKKPQSLTKWSDIWNATKYANSCCQNIDQSFPGFHGSE MWNPNTDLSEDCLYLNVWIPAPKPKNATVLIWIYGGGFQTGTSSLHVYDGKFLARVERVIVVSMNYRVGALGFLALPGNP EAPGNMGLFDQQLALQWVQKNIAAFGGNPKSVTLFGESAGAASVSLHLLSPGSHSLFTRAILQSGSFNAPWAVTSLYEAR NRTLNLAKLTGCSRENETEIIKCLRNKDPQEILLNEAFVVPYGTPLSVNFGPTVDGDFLTDMPDILLELGQFKKTQILVG VNKDEGTAFLVYGAPGFSKDNNSIITRKEFQEGLKIFFPGVSEFGKESILFHYTDWVDDQRPENYREALGDVVGDYNFIC PALEFTKKFSEWGNNAFFYYFEHRSSKLPWPEWMGVMHGYEIEFVFGLPLERRDNYTKAEEILSRSIVKRWANFAKYGNP NETQNNSTSWPVFKSTEQKYLTLNTESTRIMTKLRAQQCRFWTSFFPKV ; _struct_ref.pdbx_db_isoform ? # _struct_ref_seq.align_id 1 _struct_ref_seq.ref_id 1 _struct_ref_seq.pdbx_PDB_id_code 1XLW _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 529 _struct_ref_seq.pdbx_seq_align_end_ins_code ? _struct_ref_seq.pdbx_db_accession P06276 _struct_ref_seq.db_align_beg 29 _struct_ref_seq.pdbx_db_align_beg_ins_code ? _struct_ref_seq.db_align_end 557 _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 529 # loop_ _struct_ref_seq_dif.align_id _struct_ref_seq_dif.pdbx_pdb_id_code _struct_ref_seq_dif.mon_id _struct_ref_seq_dif.pdbx_pdb_strand_id _struct_ref_seq_dif.seq_num _struct_ref_seq_dif.pdbx_pdb_ins_code _struct_ref_seq_dif.pdbx_seq_db_name _struct_ref_seq_dif.pdbx_seq_db_accession_code _struct_ref_seq_dif.db_mon_id _struct_ref_seq_dif.pdbx_seq_db_seq_num _struct_ref_seq_dif.details _struct_ref_seq_dif.pdbx_auth_seq_num _struct_ref_seq_dif.pdbx_ordinal 1 1XLW GLN A 17 ? UNP P06276 ASN 45 ENGINEERED 17 1 1 1XLW GLN A 455 ? UNP P06276 ASN 483 ENGINEERED 455 2 1 1XLW GLN A 481 ? UNP P06276 ASN 509 ENGINEERED 481 3 1 1XLW GLN A 486 ? UNP P06276 ASN 514 ENGINEERED 486 4 # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 CL non-polymer . 'CHLORIDE ION' ? 'Cl -1' 35.453 CSS 'L-peptide linking' n S-MERCAPTOCYSTEINE ? 'C3 H7 N O2 S2' 153.223 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 DEP non-polymer . 'DIETHYL PHOSPHONATE' ? 'C4 H11 O3 P' 138.102 FUC saccharide . ALPHA-L-FUCOSE ? 'C6 H12 O5' 164.156 FUL L-saccharide . BETA-L-FUCOSE 6-DEOXY-BETA-L-GALACTOSE 'C6 H12 O5' 164.156 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 GOL non-polymer . GLYCEROL 'GLYCERIN; PROPANE-1,2,3-TRIOL' 'C3 H8 O3' 92.094 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 SO4 non-polymer . 'SULFATE ION' ? 'O4 S -2' 96.063 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 # _exptl.entry_id 1XLW _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_percent_sol 56 _exptl_crystal.density_Matthews 2.9 _exptl_crystal.density_meas ? _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.preparation ? # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP' _exptl_crystal_grow.temp 298 _exptl_crystal_grow.pH 6.5 _exptl_crystal_grow.pdbx_details 'AMMONIUM SULFATE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K' _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pdbx_pH_range . # _diffrn.id 1 _diffrn.ambient_temp 100. _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector 'IMAGE PLATE' _diffrn_detector.type 'RIGAKU RAXIS IV' _diffrn_detector.pdbx_collection_date 2003-12-15 _diffrn_detector.details ? # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.monochromator ? _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 1.5418 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source 'ROTATING ANODE' _diffrn_source.type RIGAKU _diffrn_source.pdbx_synchrotron_site ? _diffrn_source.pdbx_synchrotron_beamline ? _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_wavelength_list 1.5418 # _reflns.entry_id 1XLW _reflns.observed_criterion_sigma_F ? _reflns.observed_criterion_sigma_I ? _reflns.d_resolution_high 2.10 _reflns.d_resolution_low 50. _reflns.number_all ? _reflns.number_obs 43695 _reflns.percent_possible_obs 97.3 _reflns.pdbx_Rmerge_I_obs ? _reflns.pdbx_Rsym_value 0.058 _reflns.pdbx_netI_over_sigmaI 29 _reflns.B_iso_Wilson_estimate ? _reflns.pdbx_redundancy 9.2 _reflns.R_free_details ? _reflns.limit_h_max ? _reflns.limit_h_min ? _reflns.limit_k_max ? _reflns.limit_k_min ? _reflns.limit_l_max ? _reflns.limit_l_min ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_ordinal 1 _reflns.pdbx_diffrn_id 1 # _reflns_shell.d_res_high 2.10 _reflns_shell.d_res_low 2.18 _reflns_shell.percent_possible_all 98.2 _reflns_shell.Rmerge_I_obs ? _reflns_shell.pdbx_Rsym_value 0.462 _reflns_shell.meanI_over_sigI_obs 5.5 _reflns_shell.pdbx_redundancy 9 _reflns_shell.percent_possible_obs ? _reflns_shell.number_unique_all ? _reflns_shell.number_measured_all ? _reflns_shell.number_measured_obs ? _reflns_shell.number_unique_obs ? _reflns_shell.pdbx_chi_squared ? _reflns_shell.pdbx_ordinal 1 _reflns_shell.pdbx_diffrn_id 1 # _refine.entry_id 1XLW _refine.ls_number_reflns_obs 38613 _refine.ls_number_reflns_all ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F ? _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 40.00 _refine.ls_d_res_high 2.10 _refine.ls_percent_reflns_obs 90.42 _refine.ls_R_factor_obs 0.18569 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.18369 _refine.ls_R_factor_R_free 0.22274 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 5.1 _refine.ls_number_reflns_R_free 2064 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc 0.953 _refine.correlation_coeff_Fo_to_Fc_free 0.937 _refine.B_iso_mean 42.282 _refine.aniso_B[1][1] -1.06 _refine.aniso_B[2][2] -1.06 _refine.aniso_B[3][3] 2.11 _refine.aniso_B[1][2] 0.00 _refine.aniso_B[1][3] 0.00 _refine.aniso_B[2][3] 0.00 _refine.solvent_model_details MASK _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_solvent_vdw_probe_radii 1.20 _refine.pdbx_solvent_ion_probe_radii 0.80 _refine.pdbx_solvent_shrinkage_radii 0.80 _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.details ? _refine.pdbx_starting_model 1POI _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD' _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_overall_ESU_R 0.198 _refine.pdbx_overall_ESU_R_Free 0.172 _refine.overall_SU_ML 0.108 _refine.overall_SU_B 4.000 _refine.ls_redundancy_reflns_obs ? _refine.B_iso_min ? _refine.B_iso_max ? _refine.overall_SU_R_Cruickshank_DPI ? _refine.overall_SU_R_free ? _refine.ls_wR_factor_R_free ? _refine.ls_wR_factor_R_work ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set ? _refine.pdbx_overall_phase_error ? _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 4180 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 190 _refine_hist.number_atoms_solvent 290 _refine_hist.number_atoms_total 4660 _refine_hist.d_res_high 2.10 _refine_hist.d_res_low 40.00 # loop_ _refine_ls_restr.type _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.number _refine_ls_restr.pdbx_refine_id _refine_ls_restr.pdbx_restraint_function r_bond_refined_d 0.018 0.022 ? 4541 'X-RAY DIFFRACTION' ? r_bond_other_d ? ? ? ? 'X-RAY DIFFRACTION' ? r_angle_refined_deg 1.714 1.973 ? 6172 'X-RAY DIFFRACTION' ? r_angle_other_deg ? ? ? ? 'X-RAY DIFFRACTION' ? r_dihedral_angle_1_deg 6.422 5.000 ? 522 'X-RAY DIFFRACTION' ? r_dihedral_angle_2_deg 35.891 24.095 ? 210 'X-RAY DIFFRACTION' ? r_dihedral_angle_3_deg 16.268 15.000 ? 716 'X-RAY DIFFRACTION' ? r_dihedral_angle_4_deg 15.744 15.000 ? 23 'X-RAY DIFFRACTION' ? r_chiral_restr 0.127 0.200 ? 672 'X-RAY DIFFRACTION' ? r_gen_planes_refined 0.008 0.020 ? 3392 'X-RAY DIFFRACTION' ? r_gen_planes_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbd_refined 0.211 0.200 ? 2196 'X-RAY DIFFRACTION' ? r_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbtor_refined 0.317 0.200 ? 3075 'X-RAY DIFFRACTION' ? r_nbtor_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_refined 0.188 0.200 ? 326 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_metal_ion_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_vdw_refined 0.223 0.200 ? 47 'X-RAY DIFFRACTION' ? r_symmetry_vdw_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_hbond_refined 0.384 0.200 ? 14 'X-RAY DIFFRACTION' ? r_symmetry_hbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_mcbond_it 1.299 1.500 ? 2685 'X-RAY DIFFRACTION' ? r_mcbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_mcangle_it 1.788 2.000 ? 4222 'X-RAY DIFFRACTION' ? r_scbond_it 2.757 3.000 ? 2128 'X-RAY DIFFRACTION' ? r_scangle_it 3.868 4.500 ? 1950 'X-RAY DIFFRACTION' ? r_rigid_bond_restr ? ? ? ? 'X-RAY DIFFRACTION' ? r_sphericity_free ? ? ? ? 'X-RAY DIFFRACTION' ? r_sphericity_bonded ? ? ? ? 'X-RAY DIFFRACTION' ? # _refine_ls_shell.pdbx_total_number_of_bins_used 20 _refine_ls_shell.d_res_high 2.10 _refine_ls_shell.d_res_low 2.153 _refine_ls_shell.number_reflns_R_work 2694 _refine_ls_shell.R_factor_R_work 0.202 _refine_ls_shell.percent_reflns_obs 86.26 _refine_ls_shell.R_factor_R_free 0.252 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.number_reflns_R_free 150 _refine_ls_shell.number_reflns_obs ? _refine_ls_shell.redundancy_reflns_obs ? _refine_ls_shell.number_reflns_all ? _refine_ls_shell.R_factor_all ? _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' # _struct.entry_id 1XLW _struct.title 'Diethylphosphorylated Butyrylcholinesterase (Nonaged) Obtained By Reaction With Echothiophate' _struct.pdbx_descriptor 'BUTYRYLCHOLINESTERASE (E.C.3.1.1.8)' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 1XLW _struct_keywords.pdbx_keywords HYDROLASE _struct_keywords.text 'CHOLINESTERASE; BChe, HYDROLASE' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 2 ? D N N 3 ? E N N 2 ? F N N 2 ? G N N 4 ? H N N 2 ? I N N 4 ? J N N 2 ? K N N 2 ? L N N 2 ? M N N 5 ? N N N 5 ? O N N 5 ? P N N 5 ? Q N N 6 ? R N N 6 ? S N N 7 ? T N N 8 ? U N N 8 ? V N N 8 ? W N N 9 ? # _struct_biol.id 1 _struct_biol.pdbx_parent_biol_id ? _struct_biol.details ? # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 1 LEU A 38 ? ARG A 42 ? LEU A 38 ARG A 42 5 ? 5 HELX_P HELX_P2 2 PHE A 76 ? MET A 81 ? PHE A 76 MET A 81 1 ? 6 HELX_P HELX_P3 3 LEU A 125 ? ASP A 129 ? LEU A 125 ASP A 129 5 ? 5 HELX_P HELX_P4 4 GLY A 130 ? ARG A 138 ? GLY A 130 ARG A 138 1 ? 9 HELX_P HELX_P5 5 VAL A 148 ? LEU A 154 ? VAL A 148 LEU A 154 1 ? 7 HELX_P HELX_P6 6 ASN A 165 ? ILE A 182 ? ASN A 165 ILE A 182 1 ? 18 HELX_P HELX_P7 7 ALA A 183 ? PHE A 185 ? ALA A 183 PHE A 185 5 ? 3 HELX_P HELX_P8 8 SER A 198 ? SER A 210 ? SER A 198 SER A 210 1 ? 13 HELX_P HELX_P9 9 PRO A 211 ? PHE A 217 ? PRO A 211 PHE A 217 5 ? 7 HELX_P HELX_P10 10 SER A 235 ? THR A 250 ? SER A 235 THR A 250 1 ? 16 HELX_P HELX_P11 11 ASN A 256 ? ARG A 265 ? ASN A 256 ARG A 265 1 ? 10 HELX_P HELX_P12 12 ASP A 268 ? ALA A 277 ? ASP A 268 ALA A 277 1 ? 10 HELX_P HELX_P13 13 PHE A 278 ? VAL A 280 ? PHE A 278 VAL A 280 5 ? 3 HELX_P HELX_P14 14 MET A 302 ? LEU A 309 ? MET A 302 LEU A 309 1 ? 8 HELX_P HELX_P15 15 GLY A 326 ? GLY A 333 ? GLY A 326 GLY A 333 5 ? 8 HELX_P HELX_P16 16 THR A 346 ? PHE A 358 ? THR A 346 PHE A 358 1 ? 13 HELX_P HELX_P17 17 SER A 362 ? THR A 374 ? SER A 362 THR A 374 1 ? 13 HELX_P HELX_P18 18 GLU A 383 ? PHE A 398 ? GLU A 383 PHE A 398 1 ? 16 HELX_P HELX_P19 19 PHE A 398 ? GLU A 411 ? PHE A 398 GLU A 411 1 ? 14 HELX_P HELX_P20 20 PRO A 431 ? GLY A 435 ? PRO A 431 GLY A 435 5 ? 5 HELX_P HELX_P21 21 GLU A 441 ? PHE A 446 ? GLU A 441 PHE A 446 1 ? 6 HELX_P HELX_P22 22 GLY A 447 ? GLN A 455 ? GLY A 447 GLN A 455 5 ? 9 HELX_P HELX_P23 23 THR A 457 ? GLY A 478 ? THR A 457 GLY A 478 1 ? 22 HELX_P HELX_P24 24 ARG A 515 ? PHE A 525 ? ARG A 515 PHE A 525 1 ? 11 HELX_P HELX_P25 25 PHE A 526 ? VAL A 529 ? PHE A 526 VAL A 529 5 ? 4 # _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 65 SG ? ? ? 1_555 A CYS 92 SG ? ? A CYS 65 A CYS 92 1_555 ? ? ? ? ? ? ? 2.082 ? disulf2 disulf ? ? A CYS 252 SG ? ? ? 1_555 A CYS 263 SG ? ? A CYS 252 A CYS 263 1_555 ? ? ? ? ? ? ? 2.062 ? disulf3 disulf ? ? A CYS 400 SG ? ? ? 1_555 A CYS 519 SG ? ? A CYS 400 A CYS 519 1_555 ? ? ? ? ? ? ? 2.072 ? covale1 covale ? ? A CYS 65 C ? ? ? 1_555 A CSS 66 N ? ? A CYS 65 A CSS 66 1_555 ? ? ? ? ? ? ? 1.345 ? covale2 covale ? ? A CSS 66 C ? ? ? 1_555 A GLN 67 N ? ? A CSS 66 A GLN 67 1_555 ? ? ? ? ? ? ? 1.325 ? covale3 covale ? ? A ASN 57 ND2 ? ? ? 1_555 J NAG . C1 ? ? A ASN 57 A NAG 538 1_555 ? ? ? ? ? ? ? 1.460 ? covale4 covale ? ? A ASN 106 ND2 ? ? ? 1_555 H NAG . C1 ? ? A ASN 106 A NAG 536 1_555 ? ? ? ? ? ? ? 1.445 ? covale5 covale ? ? A ASN 241 ND2 ? ? ? 1_555 B NAG . C1 ? ? A ASN 241 A NAG 530 1_555 ? ? ? ? ? ? ? 1.454 ? covale6 covale ? ? A ASN 256 ND2 ? ? ? 1_555 L NAG . C1 ? ? A ASN 256 A NAG 540 1_555 ? ? ? ? ? ? ? 1.452 ? covale7 covale ? ? A ASN 341 ND2 ? ? ? 1_555 E NAG . C1 ? ? A ASN 341 A NAG 533 1_555 ? ? ? ? ? ? ? 1.401 ? covale8 covale ? ? A ASN 485 ND2 ? ? ? 1_555 K NAG . C1 ? ? A ASN 485 A NAG 539 1_555 ? ? ? ? ? ? ? 1.445 ? covale9 covale ? ? B NAG . O4 ? ? ? 1_555 C NAG . C1 ? ? A NAG 530 A NAG 531 1_555 ? ? ? ? ? ? ? 1.447 ? covale10 covale ? ? B NAG . O6 ? ? ? 1_555 D FUL . C1 ? ? A NAG 530 A FUL 532 1_555 ? ? ? ? ? ? ? 1.438 ? covale11 covale ? ? E NAG . O4 ? ? ? 1_555 F NAG . C1 ? ? A NAG 533 A NAG 534 1_555 ? ? ? ? ? ? ? 1.428 ? covale12 covale ? ? E NAG . O6 ? ? ? 1_555 G FUC . C1 ? ? A NAG 533 A FUC 535 1_555 ? ? ? ? ? ? ? 1.448 ? covale13 covale ? ? H NAG . O6 ? ? ? 1_555 I FUC . C1 ? ? A NAG 536 A FUC 537 1_555 ? ? ? ? ? ? ? 1.452 ? covale14 covale ? ? A SER 198 OG ? ? ? 1_555 S DEP . P ? ? A SER 198 A DEP 1001 1_555 ? ? ? ? ? ? ? 1.543 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? # _struct_mon_prot_cis.pdbx_id 1 _struct_mon_prot_cis.label_comp_id ALA _struct_mon_prot_cis.label_seq_id 101 _struct_mon_prot_cis.label_asym_id A _struct_mon_prot_cis.label_alt_id . _struct_mon_prot_cis.pdbx_PDB_ins_code ? _struct_mon_prot_cis.auth_comp_id ALA _struct_mon_prot_cis.auth_seq_id 101 _struct_mon_prot_cis.auth_asym_id A _struct_mon_prot_cis.pdbx_label_comp_id_2 PRO _struct_mon_prot_cis.pdbx_label_seq_id_2 102 _struct_mon_prot_cis.pdbx_label_asym_id_2 A _struct_mon_prot_cis.pdbx_PDB_ins_code_2 ? _struct_mon_prot_cis.pdbx_auth_comp_id_2 PRO _struct_mon_prot_cis.pdbx_auth_seq_id_2 102 _struct_mon_prot_cis.pdbx_auth_asym_id_2 A _struct_mon_prot_cis.pdbx_PDB_model_num 1 _struct_mon_prot_cis.pdbx_omega_angle -1.92 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details A ? 3 ? B ? 11 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense A 1 2 ? anti-parallel A 2 3 ? parallel B 1 2 ? anti-parallel B 2 3 ? anti-parallel B 3 4 ? anti-parallel B 4 5 ? parallel B 5 6 ? parallel B 6 7 ? parallel B 7 8 ? parallel B 8 9 ? parallel B 9 10 ? parallel B 10 11 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id A 1 ILE A 5 ? THR A 8 ? ILE A 5 THR A 8 A 2 GLY A 11 ? ARG A 14 ? GLY A 11 ARG A 14 A 3 ILE A 55 ? ASN A 57 ? ILE A 55 ASN A 57 B 1 MET A 16 ? VAL A 20 ? MET A 16 VAL A 20 B 2 GLY A 23 ? PRO A 32 ? GLY A 23 PRO A 32 B 3 TYR A 94 ? ALA A 101 ? TYR A 94 ALA A 101 B 4 ILE A 140 ? MET A 144 ? ILE A 140 MET A 144 B 5 ALA A 107 ? ILE A 113 ? ALA A 107 ILE A 113 B 6 GLY A 187 ? GLU A 197 ? GLY A 187 GLU A 197 B 7 ARG A 219 ? GLN A 223 ? ARG A 219 GLN A 223 B 8 ILE A 317 ? ASN A 322 ? ILE A 317 ASN A 322 B 9 ALA A 416 ? PHE A 421 ? ALA A 416 PHE A 421 B 10 LYS A 499 ? LEU A 503 ? LYS A 499 LEU A 503 B 11 ILE A 510 ? THR A 512 ? ILE A 510 THR A 512 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id A 1 2 N ILE A 6 ? N ILE A 6 O VAL A 13 ? O VAL A 13 A 2 3 N ARG A 14 ? N ARG A 14 O TRP A 56 ? O TRP A 56 B 1 2 N LEU A 18 ? N LEU A 18 O VAL A 25 ? O VAL A 25 B 2 3 N ILE A 31 ? N ILE A 31 O LEU A 95 ? O LEU A 95 B 3 4 N ASN A 96 ? N ASN A 96 O SER A 143 ? O SER A 143 B 4 5 O VAL A 142 ? O VAL A 142 N TRP A 112 ? N TRP A 112 B 5 6 N VAL A 109 ? N VAL A 109 O SER A 191 ? O SER A 191 B 6 7 N GLY A 196 ? N GLY A 196 O GLN A 223 ? O GLN A 223 B 7 8 N LEU A 222 ? N LEU A 222 O LEU A 318 ? O LEU A 318 B 8 9 N VAL A 321 ? N VAL A 321 O PHE A 421 ? O PHE A 421 B 9 10 N TYR A 420 ? N TYR A 420 O LEU A 503 ? O LEU A 503 B 10 11 N TYR A 500 ? N TYR A 500 O MET A 511 ? O MET A 511 # 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 ? ? ? ? 6 'BINDING SITE FOR RESIDUE NAG A 530' AC2 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE NAG A 531' AC3 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE FUL A 532' AC4 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE NAG A 533' AC5 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE NAG A 534' AC6 Software ? ? ? ? 1 'BINDING SITE FOR RESIDUE FUC A 535' AC7 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE NAG A 536' AC8 Software ? ? ? ? 7 'BINDING SITE FOR RESIDUE FUC A 537' AC9 Software ? ? ? ? 1 'BINDING SITE FOR RESIDUE NAG A 538' BC1 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE NAG A 539' BC2 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE NAG A 540' BC3 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE SO4 A 601' BC4 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE SO4 A 602' BC5 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE SO4 A 603' BC6 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE SO4 A 604' BC7 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE CL A 701' BC8 Software ? ? ? ? 1 'BINDING SITE FOR RESIDUE CL A 702' BC9 Software ? ? ? ? 8 'BINDING SITE FOR RESIDUE DEP A 1001' CC1 Software ? ? ? ? 8 'BINDING SITE FOR RESIDUE GOL A 605' CC2 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE GOL A 606' CC3 Software ? ? ? ? 7 'BINDING SITE FOR RESIDUE GOL A 607' # 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 6 TYR A 237 ? TYR A 237 . ? 1_555 ? 2 AC1 6 ASN A 241 ? ASN A 241 . ? 1_555 ? 3 AC1 6 ASN A 245 ? ASN A 245 . ? 1_555 ? 4 AC1 6 PRO A 281 ? PRO A 281 . ? 1_555 ? 5 AC1 6 NAG C . ? NAG A 531 . ? 1_555 ? 6 AC1 6 FUL D . ? FUL A 532 . ? 1_555 ? 7 AC2 2 NAG B . ? NAG A 530 . ? 1_555 ? 8 AC2 2 FUL D . ? FUL A 532 . ? 1_555 ? 9 AC3 6 ASN A 245 ? ASN A 245 . ? 1_555 ? 10 AC3 6 LEU A 249 ? LEU A 249 . ? 1_555 ? 11 AC3 6 PHE A 278 ? PHE A 278 . ? 1_555 ? 12 AC3 6 NAG B . ? NAG A 530 . ? 1_555 ? 13 AC3 6 NAG C . ? NAG A 531 . ? 1_555 ? 14 AC3 6 HOH W . ? HOH A 1189 . ? 1_555 ? 15 AC4 5 SER A 338 ? SER A 338 . ? 1_555 ? 16 AC4 5 ASN A 341 ? ASN A 341 . ? 1_555 ? 17 AC4 5 ASN A 342 ? ASN A 342 . ? 1_555 ? 18 AC4 5 NAG F . ? NAG A 534 . ? 1_555 ? 19 AC4 5 FUC G . ? FUC A 535 . ? 1_555 ? 20 AC5 2 GLY A 336 ? GLY A 336 . ? 1_555 ? 21 AC5 2 NAG E . ? NAG A 533 . ? 1_555 ? 22 AC6 1 NAG E . ? NAG A 533 . ? 1_555 ? 23 AC7 5 ASN A 106 ? ASN A 106 . ? 1_555 ? 24 AC7 5 ASN A 188 ? ASN A 188 . ? 1_555 ? 25 AC7 5 LYS A 190 ? LYS A 190 . ? 1_555 ? 26 AC7 5 FUC I . ? FUC A 537 . ? 1_555 ? 27 AC7 5 HOH W . ? HOH A 1276 . ? 1_555 ? 28 AC8 7 ASN A 188 ? ASN A 188 . ? 1_555 ? 29 AC8 7 LYS A 190 ? LYS A 190 . ? 1_555 ? 30 AC8 7 SER A 191 ? SER A 191 . ? 1_555 ? 31 AC8 7 ARG A 219 ? ARG A 219 . ? 1_555 ? 32 AC8 7 LYS A 476 ? LYS A 476 . ? 1_555 ? 33 AC8 7 NAG H . ? NAG A 536 . ? 1_555 ? 34 AC8 7 HOH W . ? HOH A 1199 . ? 1_555 ? 35 AC9 1 ASN A 57 ? ASN A 57 . ? 1_555 ? 36 BC1 3 ARG A 465 ? ARG A 465 . ? 1_555 ? 37 BC1 3 LYS A 469 ? LYS A 469 . ? 1_555 ? 38 BC1 3 ASN A 485 ? ASN A 485 . ? 1_555 ? 39 BC2 2 ASN A 256 ? ASN A 256 . ? 1_555 ? 40 BC2 2 HOH W . ? HOH A 1384 . ? 1_555 ? 41 BC3 4 GLN A 316 ? GLN A 316 . ? 1_555 ? 42 BC3 4 GLY A 413 ? GLY A 413 . ? 1_555 ? 43 BC3 4 ASN A 414 ? ASN A 414 . ? 1_555 ? 44 BC3 4 ASN A 415 ? ASN A 415 . ? 1_555 ? 45 BC4 4 HIS A 372 ? HIS A 372 . ? 1_555 ? 46 BC4 4 ARG A 520 ? ARG A 520 . ? 1_555 ? 47 BC4 4 PHE A 521 ? PHE A 521 . ? 1_555 ? 48 BC4 4 LYS A 528 ? LYS A 528 . ? 6_556 ? 49 BC5 2 ARG A 347 ? ARG A 347 . ? 1_555 ? 50 BC5 2 GLN A 351 ? GLN A 351 . ? 1_555 ? 51 BC6 5 LYS A 323 ? LYS A 323 . ? 1_555 ? 52 BC6 5 TYR A 420 ? TYR A 420 . ? 1_555 ? 53 BC6 5 ARG A 509 ? ARG A 509 . ? 8_666 ? 54 BC6 5 ARG A 515 ? ARG A 515 . ? 1_555 ? 55 BC6 5 HOH W . ? HOH A 1325 . ? 1_555 ? 56 BC7 2 THR A 488 ? THR A 488 . ? 1_555 ? 57 BC7 2 THR A 508 ? THR A 508 . ? 1_555 ? 58 BC8 1 GLU A 363 ? GLU A 363 . ? 1_555 ? 59 BC9 8 GLY A 116 ? GLY A 116 . ? 1_555 ? 60 BC9 8 GLY A 117 ? GLY A 117 . ? 1_555 ? 61 BC9 8 SER A 198 ? SER A 198 . ? 1_555 ? 62 BC9 8 ALA A 199 ? ALA A 199 . ? 1_555 ? 63 BC9 8 TRP A 231 ? TRP A 231 . ? 1_555 ? 64 BC9 8 PHE A 329 ? PHE A 329 . ? 1_555 ? 65 BC9 8 PHE A 398 ? PHE A 398 . ? 1_555 ? 66 BC9 8 HIS A 438 ? HIS A 438 . ? 1_555 ? 67 CC1 8 TRP A 231 ? TRP A 231 . ? 1_555 ? 68 CC1 8 THR A 234 ? THR A 234 . ? 1_555 ? 69 CC1 8 GLU A 238 ? GLU A 238 . ? 1_555 ? 70 CC1 8 ARG A 242 ? ARG A 242 . ? 1_555 ? 71 CC1 8 SER A 287 ? SER A 287 . ? 1_555 ? 72 CC1 8 VAL A 288 ? VAL A 288 . ? 1_555 ? 73 CC1 8 HOH W . ? HOH A 1268 . ? 1_555 ? 74 CC1 8 HOH W . ? HOH A 1321 . ? 1_555 ? 75 CC2 6 LEU A 18 ? LEU A 18 . ? 1_555 ? 76 CC2 6 LEU A 29 ? LEU A 29 . ? 1_555 ? 77 CC2 6 TYR A 61 ? TYR A 61 . ? 1_555 ? 78 CC2 6 TRP A 98 ? TRP A 98 . ? 1_555 ? 79 CC2 6 ASP A 129 ? ASP A 129 . ? 1_555 ? 80 CC2 6 LYS A 131 ? LYS A 131 . ? 1_555 ? 81 CC3 7 MET A 81 ? MET A 81 . ? 1_555 ? 82 CC3 7 SER A 425 ? SER A 425 . ? 1_555 ? 83 CC3 7 LYS A 427 ? LYS A 427 . ? 1_555 ? 84 CC3 7 LEU A 428 ? LEU A 428 . ? 1_555 ? 85 CC3 7 TYR A 440 ? TYR A 440 . ? 1_555 ? 86 CC3 7 GLU A 443 ? GLU A 443 . ? 1_555 ? 87 CC3 7 HOH W . ? HOH A 1195 . ? 1_555 ? # _atom_sites.entry_id 1XLW _atom_sites.fract_transf_matrix[1][1] 0.006474 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.000000 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.006474 _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] 0.007873 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _atom_type.symbol C CL N O 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 . ILE A 1 4 ? 135.888 34.453 14.612 1.00 61.15 ? 4 ILE A N 1 ATOM 2 C CA . ILE A 1 4 ? 136.704 33.292 15.109 1.00 61.31 ? 4 ILE A CA 1 ATOM 3 C C . ILE A 1 4 ? 136.095 31.968 14.655 1.00 60.56 ? 4 ILE A C 1 ATOM 4 O O . ILE A 1 4 ? 134.946 31.643 14.992 1.00 60.75 ? 4 ILE A O 1 ATOM 5 C CB . ILE A 1 4 ? 136.813 33.298 16.640 1.00 62.01 ? 4 ILE A CB 1 ATOM 6 C CG1 . ILE A 1 4 ? 136.523 34.701 17.208 1.00 63.12 ? 4 ILE A CG1 1 ATOM 7 C CG2 . ILE A 1 4 ? 138.154 32.622 17.104 1.00 62.64 ? 4 ILE A CG2 1 ATOM 8 C CD1 . ILE A 1 4 ? 134.988 35.069 17.257 1.00 63.33 ? 4 ILE A CD1 1 ATOM 9 N N . ILE A 1 5 ? 136.872 31.210 13.886 1.00 59.18 ? 5 ILE A N 1 ATOM 10 C CA . ILE A 1 5 ? 136.389 30.009 13.251 1.00 57.67 ? 5 ILE A CA 1 ATOM 11 C C . ILE A 1 5 ? 137.349 28.872 13.560 1.00 57.13 ? 5 ILE A C 1 ATOM 12 O O . ILE A 1 5 ? 138.558 28.979 13.336 1.00 57.51 ? 5 ILE A O 1 ATOM 13 C CB . ILE A 1 5 ? 136.239 30.237 11.742 1.00 57.35 ? 5 ILE A CB 1 ATOM 14 C CG1 . ILE A 1 5 ? 135.060 31.178 11.480 1.00 57.82 ? 5 ILE A CG1 1 ATOM 15 C CG2 . ILE A 1 5 ? 136.005 28.930 11.016 1.00 56.06 ? 5 ILE A CG2 1 ATOM 16 C CD1 . ILE A 1 5 ? 135.326 32.197 10.390 1.00 60.52 ? 5 ILE A CD1 1 ATOM 17 N N . ILE A 1 6 ? 136.803 27.789 14.096 1.00 55.41 ? 6 ILE A N 1 ATOM 18 C CA . ILE A 1 6 ? 137.613 26.655 14.480 1.00 54.00 ? 6 ILE A CA 1 ATOM 19 C C . ILE A 1 6 ? 137.218 25.533 13.575 1.00 53.72 ? 6 ILE A C 1 ATOM 20 O O . ILE A 1 6 ? 136.050 25.347 13.310 1.00 53.14 ? 6 ILE A O 1 ATOM 21 C CB . ILE A 1 6 ? 137.350 26.274 15.973 1.00 53.00 ? 6 ILE A CB 1 ATOM 22 C CG1 . ILE A 1 6 ? 137.613 27.472 16.898 1.00 52.17 ? 6 ILE A CG1 1 ATOM 23 C CG2 . ILE A 1 6 ? 138.101 24.993 16.356 1.00 51.42 ? 6 ILE A CG2 1 ATOM 24 C CD1 . ILE A 1 6 ? 139.077 27.842 17.170 1.00 51.29 ? 6 ILE A CD1 1 ATOM 25 N N . ALA A 1 7 ? 138.202 24.796 13.084 1.00 54.45 ? 7 ALA A N 1 ATOM 26 C CA . ALA A 1 7 ? 137.938 23.608 12.282 1.00 55.34 ? 7 ALA A CA 1 ATOM 27 C C . ALA A 1 7 ? 137.830 22.370 13.165 1.00 55.23 ? 7 ALA A C 1 ATOM 28 O O . ALA A 1 7 ? 138.743 22.083 13.927 1.00 55.51 ? 7 ALA A O 1 ATOM 29 C CB . ALA A 1 7 ? 139.045 23.413 11.244 1.00 55.67 ? 7 ALA A CB 1 ATOM 30 N N . THR A 1 8 ? 136.731 21.627 13.041 1.00 55.35 ? 8 THR A N 1 ATOM 31 C CA . THR A 1 8 ? 136.540 20.407 13.829 1.00 55.72 ? 8 THR A CA 1 ATOM 32 C C . THR A 1 8 ? 136.562 19.190 12.911 1.00 56.42 ? 8 THR A C 1 ATOM 33 O O . THR A 1 8 ? 136.509 19.336 11.684 1.00 56.95 ? 8 THR A O 1 ATOM 34 C CB . THR A 1 8 ? 135.219 20.469 14.690 1.00 55.38 ? 8 THR A CB 1 ATOM 35 O OG1 . THR A 1 8 ? 134.063 20.216 13.878 1.00 54.86 ? 8 THR A OG1 1 ATOM 36 C CG2 . THR A 1 8 ? 134.990 21.870 15.238 1.00 54.29 ? 8 THR A CG2 1 ATOM 37 N N . LYS A 1 9 ? 136.605 17.991 13.490 1.00 56.59 ? 9 LYS A N 1 ATOM 38 C CA . LYS A 1 9 ? 136.553 16.776 12.684 1.00 56.52 ? 9 LYS A CA 1 ATOM 39 C C . LYS A 1 9 ? 135.392 16.780 11.695 1.00 56.48 ? 9 LYS A C 1 ATOM 40 O O . LYS A 1 9 ? 135.570 16.323 10.568 1.00 56.78 ? 9 LYS A O 1 ATOM 41 C CB . LYS A 1 9 ? 136.536 15.506 13.551 1.00 56.87 ? 9 LYS A CB 1 ATOM 42 C CG . LYS A 1 9 ? 137.875 15.219 14.294 1.00 58.05 ? 9 LYS A CG 1 ATOM 43 C CD . LYS A 1 9 ? 139.049 14.958 13.334 1.00 61.60 ? 9 LYS A CD 1 ATOM 44 C CE . LYS A 1 9 ? 140.377 15.511 13.886 1.00 64.15 ? 9 LYS A CE 1 ATOM 45 N NZ . LYS A 1 9 ? 140.264 16.975 14.224 1.00 65.81 ? 9 LYS A NZ 1 ATOM 46 N N . ASN A 1 10 ? 134.228 17.308 12.097 1.00 56.01 ? 10 ASN A N 1 ATOM 47 C CA . ASN A 1 10 ? 133.017 17.331 11.239 1.00 56.62 ? 10 ASN A CA 1 ATOM 48 C C . ASN A 1 10 ? 132.738 18.639 10.505 1.00 55.86 ? 10 ASN A C 1 ATOM 49 O O . ASN A 1 10 ? 131.763 18.729 9.762 1.00 56.13 ? 10 ASN A O 1 ATOM 50 C CB . ASN A 1 10 ? 131.757 16.976 12.033 1.00 57.76 ? 10 ASN A CB 1 ATOM 51 C CG . ASN A 1 10 ? 131.967 15.813 12.932 1.00 60.78 ? 10 ASN A CG 1 ATOM 52 O OD1 . ASN A 1 10 ? 132.457 15.960 14.074 1.00 64.81 ? 10 ASN A OD1 1 ATOM 53 N ND2 . ASN A 1 10 ? 131.630 14.631 12.435 1.00 63.29 ? 10 ASN A ND2 1 ATOM 54 N N . GLY A 1 11 ? 133.565 19.656 10.711 1.00 54.76 ? 11 GLY A N 1 ATOM 55 C CA . GLY A 1 11 ? 133.397 20.863 9.943 1.00 54.09 ? 11 GLY A CA 1 ATOM 56 C C . GLY A 1 11 ? 133.729 22.089 10.751 1.00 54.07 ? 11 GLY A C 1 ATOM 57 O O . GLY A 1 11 ? 134.051 21.986 11.938 1.00 54.54 ? 11 GLY A O 1 ATOM 58 N N . LYS A 1 12 ? 133.629 23.248 10.103 1.00 53.09 ? 12 LYS A N 1 ATOM 59 C CA . LYS A 1 12 ? 133.993 24.534 10.686 1.00 52.76 ? 12 LYS A CA 1 ATOM 60 C C . LYS A 1 12 ? 132.856 25.088 11.538 1.00 51.85 ? 12 LYS A C 1 ATOM 61 O O . LYS A 1 12 ? 131.689 24.959 11.195 1.00 51.69 ? 12 LYS A O 1 ATOM 62 C CB . LYS A 1 12 ? 134.330 25.555 9.588 1.00 53.07 ? 12 LYS A CB 1 ATOM 63 C CG . LYS A 1 12 ? 135.683 25.374 8.933 1.00 54.80 ? 12 LYS A CG 1 ATOM 64 C CD . LYS A 1 12 ? 135.988 26.567 8.013 0.50 54.00 ? 12 LYS A CD 1 ATOM 65 C CE . LYS A 1 12 ? 137.424 26.537 7.496 0.50 55.14 ? 12 LYS A CE 1 ATOM 66 N NZ . LYS A 1 12 ? 137.787 27.810 6.796 0.50 55.54 ? 12 LYS A NZ 1 ATOM 67 N N . VAL A 1 13 ? 133.212 25.713 12.646 1.00 50.89 ? 13 VAL A N 1 ATOM 68 C CA . VAL A 1 13 ? 132.227 26.358 13.470 1.00 50.44 ? 13 VAL A CA 1 ATOM 69 C C . VAL A 1 13 ? 132.678 27.783 13.759 1.00 50.45 ? 13 VAL A C 1 ATOM 70 O O . VAL A 1 13 ? 133.841 28.038 14.062 1.00 51.00 ? 13 VAL A O 1 ATOM 71 C CB . VAL A 1 13 ? 131.910 25.532 14.802 1.00 50.33 ? 13 VAL A CB 1 ATOM 72 C CG1 . VAL A 1 13 ? 131.408 24.123 14.474 1.00 48.38 ? 13 VAL A CG1 1 ATOM 73 C CG2 . VAL A 1 13 ? 133.136 25.444 15.701 1.00 50.24 ? 13 VAL A CG2 1 ATOM 74 N N . ARG A 1 14 ? 131.751 28.718 13.658 1.00 50.88 ? 14 ARG A N 1 ATOM 75 C CA . ARG A 1 14 ? 132.018 30.107 14.042 1.00 50.83 ? 14 ARG A CA 1 ATOM 76 C C . ARG A 1 14 ? 131.461 30.365 15.456 1.00 50.30 ? 14 ARG A C 1 ATOM 77 O O . ARG A 1 14 ? 130.326 29.992 15.766 1.00 50.39 ? 14 ARG A O 1 ATOM 78 C CB . ARG A 1 14 ? 131.348 31.049 13.028 1.00 50.46 ? 14 ARG A CB 1 ATOM 79 C CG . ARG A 1 14 ? 131.274 32.526 13.447 1.00 52.10 ? 14 ARG A CG 1 ATOM 80 C CD . ARG A 1 14 ? 130.656 33.438 12.382 1.00 55.29 ? 14 ARG A CD 1 ATOM 81 N NE . ARG A 1 14 ? 131.654 33.770 11.357 1.00 59.22 ? 14 ARG A NE 1 ATOM 82 C CZ . ARG A 1 14 ? 131.610 33.354 10.092 1.00 59.71 ? 14 ARG A CZ 1 ATOM 83 N NH1 . ARG A 1 14 ? 130.598 32.600 9.670 1.00 58.24 ? 14 ARG A NH1 1 ATOM 84 N NH2 . ARG A 1 14 ? 132.586 33.708 9.248 1.00 60.06 ? 14 ARG A NH2 1 ATOM 85 N N . GLY A 1 15 ? 132.250 31.021 16.293 1.00 50.69 ? 15 GLY A N 1 ATOM 86 C CA . GLY A 1 15 ? 131.801 31.432 17.618 1.00 50.53 ? 15 GLY A CA 1 ATOM 87 C C . GLY A 1 15 ? 131.461 32.902 17.693 1.00 51.54 ? 15 GLY A C 1 ATOM 88 O O . GLY A 1 15 ? 131.297 33.574 16.668 1.00 51.56 ? 15 GLY A O 1 ATOM 89 N N . MET A 1 16 ? 131.322 33.401 18.910 1.00 51.23 ? 16 MET A N 1 ATOM 90 C CA . MET A 1 16 ? 131.032 34.788 19.146 1.00 52.20 ? 16 MET A CA 1 ATOM 91 C C . MET A 1 16 ? 131.850 35.313 20.325 1.00 52.16 ? 16 MET A C 1 ATOM 92 O O . MET A 1 16 ? 132.144 34.562 21.261 1.00 52.05 ? 16 MET A O 1 ATOM 93 C CB . MET A 1 16 ? 129.529 34.959 19.396 1.00 53.18 ? 16 MET A CB 1 ATOM 94 C CG . MET A 1 16 ? 128.978 34.387 20.694 1.00 55.58 ? 16 MET A CG 1 ATOM 95 S SD . MET A 1 16 ? 127.179 34.623 20.809 1.00 63.15 ? 16 MET A SD 1 ATOM 96 C CE . MET A 1 16 ? 127.080 36.419 20.746 1.00 64.89 ? 16 MET A CE 1 ATOM 97 N N . GLN A 1 17 ? 132.209 36.593 20.294 1.00 51.73 ? 17 GLN A N 1 ATOM 98 C CA . GLN A 1 17 ? 133.015 37.170 21.367 1.00 51.52 ? 17 GLN A CA 1 ATOM 99 C C . GLN A 1 17 ? 132.121 37.758 22.438 1.00 49.97 ? 17 GLN A C 1 ATOM 100 O O . GLN A 1 17 ? 131.116 38.391 22.132 1.00 49.39 ? 17 GLN A O 1 ATOM 101 C CB . GLN A 1 17 ? 133.950 38.254 20.828 1.00 52.79 ? 17 GLN A CB 1 ATOM 102 C CG . GLN A 1 17 ? 134.811 37.818 19.653 1.00 56.73 ? 17 GLN A CG 1 ATOM 103 C CD . GLN A 1 17 ? 136.145 37.215 20.103 1.00 63.28 ? 17 GLN A CD 1 ATOM 104 O OE1 . GLN A 1 17 ? 137.208 37.766 19.797 1.00 66.19 ? 17 GLN A OE1 1 ATOM 105 N NE2 . GLN A 1 17 ? 136.093 36.101 20.825 1.00 64.26 ? 17 GLN A NE2 1 ATOM 106 N N . LEU A 1 18 ? 132.502 37.551 23.695 1.00 48.58 ? 18 LEU A N 1 ATOM 107 C CA . LEU A 1 18 ? 131.732 38.063 24.836 1.00 47.97 ? 18 LEU A CA 1 ATOM 108 C C . LEU A 1 18 ? 132.661 38.860 25.700 1.00 47.37 ? 18 LEU A C 1 ATOM 109 O O . LEU A 1 18 ? 133.796 38.469 25.916 1.00 47.90 ? 18 LEU A O 1 ATOM 110 C CB . LEU A 1 18 ? 131.081 36.925 25.672 1.00 47.28 ? 18 LEU A CB 1 ATOM 111 C CG . LEU A 1 18 ? 130.259 35.822 24.990 1.00 46.86 ? 18 LEU A CG 1 ATOM 112 C CD1 . LEU A 1 18 ? 129.896 34.689 25.990 1.00 43.50 ? 18 LEU A CD1 1 ATOM 113 C CD2 . LEU A 1 18 ? 128.985 36.394 24.322 1.00 45.92 ? 18 LEU A CD2 1 ATOM 114 N N . THR A 1 19 ? 132.170 39.966 26.215 1.00 47.28 ? 19 THR A N 1 ATOM 115 C CA . THR A 1 19 ? 132.922 40.747 27.183 1.00 47.47 ? 19 THR A CA 1 ATOM 116 C C . THR A 1 19 ? 132.559 40.289 28.562 1.00 46.59 ? 19 THR A C 1 ATOM 117 O O . THR A 1 19 ? 131.391 40.306 28.944 1.00 46.07 ? 19 THR A O 1 ATOM 118 C CB . THR A 1 19 ? 132.582 42.258 27.062 1.00 47.72 ? 19 THR A CB 1 ATOM 119 O OG1 . THR A 1 19 ? 132.823 42.647 25.721 1.00 48.73 ? 19 THR A OG1 1 ATOM 120 C CG2 . THR A 1 19 ? 133.586 43.120 27.863 1.00 47.51 ? 19 THR A CG2 1 ATOM 121 N N . VAL A 1 20 ? 133.573 39.902 29.320 1.00 46.26 ? 20 VAL A N 1 ATOM 122 C CA . VAL A 1 20 ? 133.326 39.421 30.670 1.00 45.69 ? 20 VAL A CA 1 ATOM 123 C C . VAL A 1 20 ? 134.436 39.991 31.497 1.00 45.39 ? 20 VAL A C 1 ATOM 124 O O . VAL A 1 20 ? 135.583 39.672 31.254 1.00 44.95 ? 20 VAL A O 1 ATOM 125 C CB . VAL A 1 20 ? 133.382 37.850 30.769 1.00 45.36 ? 20 VAL A CB 1 ATOM 126 C CG1 . VAL A 1 20 ? 132.991 37.396 32.187 1.00 45.38 ? 20 VAL A CG1 1 ATOM 127 C CG2 . VAL A 1 20 ? 132.503 37.180 29.716 1.00 43.22 ? 20 VAL A CG2 1 ATOM 128 N N . PHE A 1 21 ? 134.086 40.815 32.470 1.00 46.58 ? 21 PHE A N 1 ATOM 129 C CA . PHE A 1 21 ? 135.055 41.377 33.445 1.00 48.10 ? 21 PHE A CA 1 ATOM 130 C C . PHE A 1 21 ? 136.283 42.000 32.758 1.00 49.10 ? 21 PHE A C 1 ATOM 131 O O . PHE A 1 21 ? 137.405 41.686 33.126 1.00 49.74 ? 21 PHE A O 1 ATOM 132 C CB . PHE A 1 21 ? 135.548 40.318 34.467 1.00 47.98 ? 21 PHE A CB 1 ATOM 133 C CG . PHE A 1 21 ? 134.442 39.565 35.197 1.00 47.85 ? 21 PHE A CG 1 ATOM 134 C CD1 . PHE A 1 21 ? 134.648 38.239 35.598 1.00 45.48 ? 21 PHE A CD1 1 ATOM 135 C CD2 . PHE A 1 21 ? 133.221 40.177 35.496 1.00 47.93 ? 21 PHE A CD2 1 ATOM 136 C CE1 . PHE A 1 21 ? 133.655 37.521 36.292 1.00 46.08 ? 21 PHE A CE1 1 ATOM 137 C CE2 . PHE A 1 21 ? 132.205 39.471 36.187 1.00 49.65 ? 21 PHE A CE2 1 ATOM 138 C CZ . PHE A 1 21 ? 132.433 38.141 36.594 1.00 47.60 ? 21 PHE A CZ 1 ATOM 139 N N . GLY A 1 22 ? 136.065 42.851 31.752 1.00 49.73 ? 22 GLY A N 1 ATOM 140 C CA . GLY A 1 22 ? 137.150 43.627 31.139 1.00 50.13 ? 22 GLY A CA 1 ATOM 141 C C . GLY A 1 22 ? 138.046 42.757 30.300 1.00 50.40 ? 22 GLY A C 1 ATOM 142 O O . GLY A 1 22 ? 139.234 43.066 30.074 1.00 51.56 ? 22 GLY A O 1 ATOM 143 N N . GLY A 1 23 ? 137.491 41.642 29.841 1.00 49.55 ? 23 GLY A N 1 ATOM 144 C CA . GLY A 1 23 ? 138.278 40.655 29.141 1.00 48.88 ? 23 GLY A CA 1 ATOM 145 C C . GLY A 1 23 ? 137.337 40.057 28.151 1.00 48.90 ? 23 GLY A C 1 ATOM 146 O O . GLY A 1 23 ? 136.228 40.530 28.013 1.00 49.25 ? 23 GLY A O 1 ATOM 147 N N . THR A 1 24 ? 137.788 39.029 27.452 1.00 48.39 ? 24 THR A N 1 ATOM 148 C CA . THR A 1 24 ? 136.989 38.416 26.420 1.00 47.85 ? 24 THR A CA 1 ATOM 149 C C . THR A 1 24 ? 136.905 36.903 26.588 1.00 46.48 ? 24 THR A C 1 ATOM 150 O O . THR A 1 24 ? 137.915 36.245 26.835 1.00 46.52 ? 24 THR A O 1 ATOM 151 C CB . THR A 1 24 ? 137.600 38.716 25.059 1.00 48.19 ? 24 THR A CB 1 ATOM 152 O OG1 . THR A 1 24 ? 137.594 40.134 24.867 1.00 52.20 ? 24 THR A OG1 1 ATOM 153 C CG2 . THR A 1 24 ? 136.692 38.236 23.982 1.00 47.99 ? 24 THR A CG2 1 ATOM 154 N N . VAL A 1 25 ? 135.705 36.366 26.386 1.00 44.29 ? 25 VAL A N 1 ATOM 155 C CA . VAL A 1 25 ? 135.508 34.933 26.243 1.00 42.04 ? 25 VAL A CA 1 ATOM 156 C C . VAL A 1 25 ? 134.922 34.649 24.869 1.00 42.16 ? 25 VAL A C 1 ATOM 157 O O . VAL A 1 25 ? 134.063 35.399 24.422 1.00 41.80 ? 25 VAL A O 1 ATOM 158 C CB . VAL A 1 25 ? 134.576 34.399 27.398 1.00 42.04 ? 25 VAL A CB 1 ATOM 159 C CG1 . VAL A 1 25 ? 134.207 32.920 27.187 1.00 39.17 ? 25 VAL A CG1 1 ATOM 160 C CG2 . VAL A 1 25 ? 135.250 34.586 28.738 1.00 39.98 ? 25 VAL A CG2 1 ATOM 161 N N . THR A 1 26 ? 135.383 33.577 24.202 1.00 42.01 ? 26 THR A N 1 ATOM 162 C CA . THR A 1 26 ? 134.744 33.069 22.980 1.00 42.64 ? 26 THR A CA 1 ATOM 163 C C . THR A 1 26 ? 133.787 31.900 23.293 1.00 43.14 ? 26 THR A C 1 ATOM 164 O O . THR A 1 26 ? 134.165 30.896 23.971 1.00 43.06 ? 26 THR A O 1 ATOM 165 C CB . THR A 1 26 ? 135.814 32.626 21.936 1.00 42.71 ? 26 THR A CB 1 ATOM 166 O OG1 . THR A 1 26 ? 136.825 33.621 21.883 1.00 40.52 ? 26 THR A OG1 1 ATOM 167 C CG2 . THR A 1 26 ? 135.251 32.581 20.523 1.00 41.47 ? 26 THR A CG2 1 ATOM 168 N N . ALA A 1 27 ? 132.548 32.054 22.821 1.00 42.46 ? 27 ALA A N 1 ATOM 169 C CA . ALA A 1 27 ? 131.481 31.116 23.085 1.00 41.75 ? 27 ALA A CA 1 ATOM 170 C C . ALA A 1 27 ? 131.058 30.520 21.775 1.00 42.43 ? 27 ALA A C 1 ATOM 171 O O . ALA A 1 27 ? 130.915 31.244 20.756 1.00 42.28 ? 27 ALA A O 1 ATOM 172 C CB . ALA A 1 27 ? 130.298 31.810 23.768 1.00 42.03 ? 27 ALA A CB 1 ATOM 173 N N . PHE A 1 28 ? 130.899 29.203 21.790 1.00 40.17 ? 28 PHE A N 1 ATOM 174 C CA . PHE A 1 28 ? 130.376 28.465 20.668 1.00 39.32 ? 28 PHE A CA 1 ATOM 175 C C . PHE A 1 28 ? 129.148 27.791 21.229 1.00 39.16 ? 28 PHE A C 1 ATOM 176 O O . PHE A 1 28 ? 129.249 26.776 21.939 1.00 39.30 ? 28 PHE A O 1 ATOM 177 C CB . PHE A 1 28 ? 131.362 27.410 20.195 1.00 38.47 ? 28 PHE A CB 1 ATOM 178 C CG . PHE A 1 28 ? 132.644 27.986 19.645 1.00 41.72 ? 28 PHE A CG 1 ATOM 179 C CD1 . PHE A 1 28 ? 133.675 28.371 20.504 1.00 42.54 ? 28 PHE A CD1 1 ATOM 180 C CD2 . PHE A 1 28 ? 132.805 28.161 18.271 1.00 43.37 ? 28 PHE A CD2 1 ATOM 181 C CE1 . PHE A 1 28 ? 134.855 28.920 20.024 1.00 42.90 ? 28 PHE A CE1 1 ATOM 182 C CE2 . PHE A 1 28 ? 133.982 28.702 17.765 1.00 45.73 ? 28 PHE A CE2 1 ATOM 183 C CZ . PHE A 1 28 ? 135.018 29.089 18.647 1.00 44.82 ? 28 PHE A CZ 1 ATOM 184 N N . LEU A 1 29 ? 127.999 28.395 20.986 1.00 37.46 ? 29 LEU A N 1 ATOM 185 C CA . LEU A 1 29 ? 126.758 27.899 21.594 1.00 37.01 ? 29 LEU A CA 1 ATOM 186 C C . LEU A 1 29 ? 125.992 27.110 20.550 1.00 37.06 ? 29 LEU A C 1 ATOM 187 O O . LEU A 1 29 ? 125.842 27.592 19.428 1.00 37.08 ? 29 LEU A O 1 ATOM 188 C CB . LEU A 1 29 ? 125.931 29.083 22.072 1.00 35.85 ? 29 LEU A CB 1 ATOM 189 C CG . LEU A 1 29 ? 126.566 30.077 23.030 1.00 34.87 ? 29 LEU A CG 1 ATOM 190 C CD1 . LEU A 1 29 ? 125.497 31.043 23.492 1.00 29.60 ? 29 LEU A CD1 1 ATOM 191 C CD2 . LEU A 1 29 ? 127.143 29.277 24.267 1.00 37.18 ? 29 LEU A CD2 1 ATOM 192 N N . GLY A 1 30 ? 125.541 25.901 20.875 1.00 36.71 ? 30 GLY A N 1 ATOM 193 C CA . GLY A 1 30 ? 124.789 25.050 19.921 1.00 37.12 ? 30 GLY A CA 1 ATOM 194 C C . GLY A 1 30 ? 125.539 24.357 18.793 1.00 38.41 ? 30 GLY A C 1 ATOM 195 O O . GLY A 1 30 ? 125.109 24.404 17.613 1.00 38.44 ? 30 GLY A O 1 ATOM 196 N N . ILE A 1 31 ? 126.664 23.714 19.111 1.00 38.54 ? 31 ILE A N 1 ATOM 197 C CA . ILE A 1 31 ? 127.361 22.833 18.134 1.00 38.35 ? 31 ILE A CA 1 ATOM 198 C C . ILE A 1 31 ? 126.671 21.466 18.132 1.00 39.18 ? 31 ILE A C 1 ATOM 199 O O . ILE A 1 31 ? 126.437 20.905 19.209 1.00 38.97 ? 31 ILE A O 1 ATOM 200 C CB . ILE A 1 31 ? 128.857 22.660 18.526 1.00 38.32 ? 31 ILE A CB 1 ATOM 201 C CG1 . ILE A 1 31 ? 129.544 24.016 18.739 1.00 37.77 ? 31 ILE A CG1 1 ATOM 202 C CG2 . ILE A 1 31 ? 129.599 21.742 17.528 1.00 39.19 ? 31 ILE A CG2 1 ATOM 203 C CD1 . ILE A 1 31 ? 130.944 23.901 19.307 1.00 39.19 ? 31 ILE A CD1 1 ATOM 204 N N . PRO A 1 32 ? 126.321 20.914 16.958 1.00 38.70 ? 32 PRO A N 1 ATOM 205 C CA . PRO A 1 32 ? 125.736 19.583 16.927 1.00 38.00 ? 32 PRO A CA 1 ATOM 206 C C . PRO A 1 32 ? 126.792 18.504 17.213 1.00 38.46 ? 32 PRO A C 1 ATOM 207 O O . PRO A 1 32 ? 127.958 18.643 16.790 1.00 37.51 ? 32 PRO A O 1 ATOM 208 C CB . PRO A 1 32 ? 125.192 19.467 15.491 1.00 38.44 ? 32 PRO A CB 1 ATOM 209 C CG . PRO A 1 32 ? 126.108 20.396 14.668 1.00 38.76 ? 32 PRO A CG 1 ATOM 210 C CD . PRO A 1 32 ? 126.400 21.531 15.611 1.00 38.42 ? 32 PRO A CD 1 ATOM 211 N N . TYR A 1 33 ? 126.392 17.456 17.933 1.00 37.07 ? 33 TYR A N 1 ATOM 212 C CA . TYR A 1 33 ? 127.323 16.405 18.269 1.00 37.98 ? 33 TYR A CA 1 ATOM 213 C C . TYR A 1 33 ? 126.774 15.034 17.929 1.00 37.78 ? 33 TYR A C 1 ATOM 214 O O . TYR A 1 33 ? 127.480 14.048 18.068 1.00 37.57 ? 33 TYR A O 1 ATOM 215 C CB . TYR A 1 33 ? 127.802 16.469 19.741 1.00 37.08 ? 33 TYR A CB 1 ATOM 216 C CG . TYR A 1 33 ? 126.739 16.104 20.775 1.00 36.24 ? 33 TYR A CG 1 ATOM 217 C CD1 . TYR A 1 33 ? 125.962 17.090 21.385 1.00 31.60 ? 33 TYR A CD1 1 ATOM 218 C CD2 . TYR A 1 33 ? 126.564 14.774 21.175 1.00 33.92 ? 33 TYR A CD2 1 ATOM 219 C CE1 . TYR A 1 33 ? 124.969 16.728 22.355 1.00 28.22 ? 33 TYR A CE1 1 ATOM 220 C CE2 . TYR A 1 33 ? 125.605 14.424 22.157 1.00 35.08 ? 33 TYR A CE2 1 ATOM 221 C CZ . TYR A 1 33 ? 124.827 15.395 22.724 1.00 29.15 ? 33 TYR A CZ 1 ATOM 222 O OH . TYR A 1 33 ? 123.903 14.995 23.663 1.00 31.96 ? 33 TYR A OH 1 ATOM 223 N N . ALA A 1 34 ? 125.535 14.991 17.434 1.00 38.08 ? 34 ALA A N 1 ATOM 224 C CA . ALA A 1 34 ? 124.956 13.746 16.915 1.00 38.79 ? 34 ALA A CA 1 ATOM 225 C C . ALA A 1 34 ? 123.919 14.008 15.796 1.00 39.06 ? 34 ALA A C 1 ATOM 226 O O . ALA A 1 34 ? 123.449 15.129 15.599 1.00 39.30 ? 34 ALA A O 1 ATOM 227 C CB . ALA A 1 34 ? 124.302 12.950 18.064 1.00 36.96 ? 34 ALA A CB 1 ATOM 228 N N . GLN A 1 35 ? 123.516 12.944 15.112 1.00 40.94 ? 35 GLN A N 1 ATOM 229 C CA . GLN A 1 35 ? 122.364 12.997 14.212 1.00 41.21 ? 35 GLN A CA 1 ATOM 230 C C . GLN A 1 35 ? 121.124 13.307 15.034 1.00 40.54 ? 35 GLN A C 1 ATOM 231 O O . GLN A 1 35 ? 120.933 12.667 16.072 1.00 39.99 ? 35 GLN A O 1 ATOM 232 C CB . GLN A 1 35 ? 122.143 11.647 13.554 1.00 42.26 ? 35 GLN A CB 1 ATOM 233 C CG . GLN A 1 35 ? 122.729 11.498 12.144 1.00 46.15 ? 35 GLN A CG 1 ATOM 234 C CD A GLN A 1 35 ? 122.057 10.346 11.435 0.60 47.67 ? 35 GLN A CD 1 ATOM 235 C CD B GLN A 1 35 ? 122.160 12.539 11.162 0.40 47.46 ? 35 GLN A CD 1 ATOM 236 O OE1 A GLN A 1 35 ? 122.550 9.205 11.462 0.60 47.12 ? 35 GLN A OE1 1 ATOM 237 O OE1 B GLN A 1 35 ? 120.961 12.500 10.822 0.40 48.84 ? 35 GLN A OE1 1 ATOM 238 N NE2 A GLN A 1 35 ? 120.887 10.622 10.849 0.60 50.67 ? 35 GLN A NE2 1 ATOM 239 N NE2 B GLN A 1 35 ? 123.010 13.477 10.723 0.40 46.79 ? 35 GLN A NE2 1 ATOM 240 N N . PRO A 1 36 ? 120.267 14.240 14.579 1.00 39.92 ? 36 PRO A N 1 ATOM 241 C CA . PRO A 1 36 ? 118.994 14.502 15.282 1.00 39.89 ? 36 PRO A CA 1 ATOM 242 C C . PRO A 1 36 ? 118.236 13.162 15.490 1.00 39.68 ? 36 PRO A C 1 ATOM 243 O O . PRO A 1 36 ? 118.099 12.411 14.538 1.00 40.49 ? 36 PRO A O 1 ATOM 244 C CB . PRO A 1 36 ? 118.272 15.504 14.344 1.00 38.58 ? 36 PRO A CB 1 ATOM 245 C CG . PRO A 1 36 ? 119.409 16.207 13.593 1.00 40.14 ? 36 PRO A CG 1 ATOM 246 C CD . PRO A 1 36 ? 120.452 15.132 13.407 1.00 40.18 ? 36 PRO A CD 1 ATOM 247 N N . PRO A 1 37 ? 117.850 12.790 16.713 1.00 40.14 ? 37 PRO A N 1 ATOM 248 C CA . PRO A 1 37 ? 117.292 11.442 16.922 1.00 40.45 ? 37 PRO A CA 1 ATOM 249 C C . PRO A 1 37 ? 115.802 11.458 16.611 1.00 41.67 ? 37 PRO A C 1 ATOM 250 O O . PRO A 1 37 ? 114.943 11.334 17.510 1.00 41.55 ? 37 PRO A O 1 ATOM 251 C CB . PRO A 1 37 ? 117.547 11.180 18.401 1.00 39.80 ? 37 PRO A CB 1 ATOM 252 C CG . PRO A 1 37 ? 117.485 12.641 19.032 1.00 40.49 ? 37 PRO A CG 1 ATOM 253 C CD . PRO A 1 37 ? 117.950 13.563 17.975 1.00 39.47 ? 37 PRO A CD 1 ATOM 254 N N . LEU A 1 38 ? 115.511 11.694 15.341 1.00 43.66 ? 38 LEU A N 1 ATOM 255 C CA . LEU A 1 38 ? 114.138 11.880 14.890 1.00 45.52 ? 38 LEU A CA 1 ATOM 256 C C . LEU A 1 38 ? 113.666 10.665 14.118 1.00 45.84 ? 38 LEU A C 1 ATOM 257 O O . LEU A 1 38 ? 114.472 9.910 13.559 1.00 46.15 ? 38 LEU A O 1 ATOM 258 C CB . LEU A 1 38 ? 114.052 13.120 14.005 1.00 46.15 ? 38 LEU A CB 1 ATOM 259 C CG . LEU A 1 38 ? 114.694 14.396 14.522 1.00 47.64 ? 38 LEU A CG 1 ATOM 260 C CD1 . LEU A 1 38 ? 114.865 15.376 13.356 1.00 50.57 ? 38 LEU A CD1 1 ATOM 261 C CD2 . LEU A 1 38 ? 113.818 14.988 15.587 1.00 49.54 ? 38 LEU A CD2 1 ATOM 262 N N . GLY A 1 39 ? 112.350 10.478 14.086 1.00 47.12 ? 39 GLY A N 1 ATOM 263 C CA . GLY A 1 39 ? 111.743 9.485 13.191 1.00 46.78 ? 39 GLY A CA 1 ATOM 264 C C . GLY A 1 39 ? 112.046 8.071 13.599 1.00 47.28 ? 39 GLY A C 1 ATOM 265 O O . GLY A 1 39 ? 111.614 7.605 14.665 1.00 47.61 ? 39 GLY A O 1 ATOM 266 N N . ARG A 1 40 ? 112.789 7.361 12.761 1.00 47.49 ? 40 ARG A N 1 ATOM 267 C CA . ARG A 1 40 ? 113.195 6.001 13.125 1.00 47.80 ? 40 ARG A CA 1 ATOM 268 C C . ARG A 1 40 ? 114.295 5.950 14.222 1.00 47.42 ? 40 ARG A C 1 ATOM 269 O O . ARG A 1 40 ? 114.446 4.920 14.880 1.00 48.36 ? 40 ARG A O 1 ATOM 270 C CB . ARG A 1 40 ? 113.573 5.166 11.893 1.00 48.41 ? 40 ARG A CB 1 ATOM 271 C CG . ARG A 1 40 ? 114.836 5.571 11.130 0.80 49.86 ? 40 ARG A CG 1 ATOM 272 C CD . ARG A 1 40 ? 115.204 4.580 10.006 0.80 53.03 ? 40 ARG A CD 1 ATOM 273 N NE . ARG A 1 40 ? 114.111 4.441 9.031 0.50 56.50 ? 40 ARG A NE 1 ATOM 274 C CZ . ARG A 1 40 ? 113.241 3.424 8.974 0.50 56.96 ? 40 ARG A CZ 1 ATOM 275 N NH1 . ARG A 1 40 ? 113.317 2.405 9.828 0.50 56.17 ? 40 ARG A NH1 1 ATOM 276 N NH2 . ARG A 1 40 ? 112.290 3.428 8.043 0.50 56.27 ? 40 ARG A NH2 1 ATOM 277 N N . LEU A 1 41 ? 115.002 7.073 14.431 1.00 46.34 ? 41 LEU A N 1 ATOM 278 C CA . LEU A 1 41 ? 116.040 7.206 15.468 1.00 44.89 ? 41 LEU A CA 1 ATOM 279 C C . LEU A 1 41 ? 115.492 7.513 16.865 1.00 44.68 ? 41 LEU A C 1 ATOM 280 O O . LEU A 1 41 ? 116.254 7.482 17.841 1.00 44.75 ? 41 LEU A O 1 ATOM 281 C CB . LEU A 1 41 ? 117.082 8.255 15.058 1.00 44.98 ? 41 LEU A CB 1 ATOM 282 C CG . LEU A 1 41 ? 117.789 7.985 13.716 1.00 44.19 ? 41 LEU A CG 1 ATOM 283 C CD1 . LEU A 1 41 ? 118.794 9.049 13.400 1.00 43.13 ? 41 LEU A CD1 1 ATOM 284 C CD2 . LEU A 1 41 ? 118.433 6.592 13.668 1.00 44.88 ? 41 LEU A CD2 1 ATOM 285 N N . ARG A 1 42 ? 114.190 7.818 16.965 1.00 42.84 ? 42 ARG A N 1 ATOM 286 C CA . ARG A 1 42 ? 113.592 8.092 18.240 1.00 41.91 ? 42 ARG A CA 1 ATOM 287 C C . ARG A 1 42 ? 113.727 6.839 19.080 1.00 41.83 ? 42 ARG A C 1 ATOM 288 O O . ARG A 1 42 ? 113.449 5.733 18.588 1.00 41.07 ? 42 ARG A O 1 ATOM 289 C CB . ARG A 1 42 ? 112.110 8.483 18.130 1.00 41.73 ? 42 ARG A CB 1 ATOM 290 C CG . ARG A 1 42 ? 111.503 8.756 19.488 1.00 41.23 ? 42 ARG A CG 1 ATOM 291 C CD . ARG A 1 42 ? 109.993 8.922 19.513 1.00 42.16 ? 42 ARG A CD 1 ATOM 292 N NE . ARG A 1 42 ? 109.586 10.217 18.981 1.00 41.29 ? 42 ARG A NE 1 ATOM 293 C CZ . ARG A 1 42 ? 108.322 10.563 18.743 1.00 41.57 ? 42 ARG A CZ 1 ATOM 294 N NH1 . ARG A 1 42 ? 107.330 9.692 18.975 1.00 38.97 ? 42 ARG A NH1 1 ATOM 295 N NH2 . ARG A 1 42 ? 108.063 11.771 18.247 1.00 39.48 ? 42 ARG A NH2 1 ATOM 296 N N . PHE A 1 43 ? 114.164 7.037 20.333 1.00 40.74 ? 43 PHE A N 1 ATOM 297 C CA . PHE A 1 43 ? 114.458 5.970 21.343 1.00 40.20 ? 43 PHE A CA 1 ATOM 298 C C . PHE A 1 43 ? 115.720 5.150 21.102 1.00 40.15 ? 43 PHE A C 1 ATOM 299 O O . PHE A 1 43 ? 116.010 4.245 21.883 1.00 40.47 ? 43 PHE A O 1 ATOM 300 C CB . PHE A 1 43 ? 113.299 4.997 21.586 1.00 40.15 ? 43 PHE A CB 1 ATOM 301 C CG . PHE A 1 43 ? 111.989 5.640 21.887 1.00 40.36 ? 43 PHE A CG 1 ATOM 302 C CD1 . PHE A 1 43 ? 111.811 6.430 23.002 1.00 41.94 ? 43 PHE A CD1 1 ATOM 303 C CD2 . PHE A 1 43 ? 110.879 5.366 21.084 1.00 41.56 ? 43 PHE A CD2 1 ATOM 304 C CE1 . PHE A 1 43 ? 110.540 6.987 23.291 1.00 40.79 ? 43 PHE A CE1 1 ATOM 305 C CE2 . PHE A 1 43 ? 109.632 5.920 21.364 1.00 39.49 ? 43 PHE A CE2 1 ATOM 306 C CZ . PHE A 1 43 ? 109.465 6.729 22.448 1.00 39.34 ? 43 PHE A CZ 1 ATOM 307 N N . LYS A 1 44 ? 116.458 5.442 20.029 1.00 39.66 ? 44 LYS A N 1 ATOM 308 C CA . LYS A 1 44 ? 117.712 4.743 19.776 1.00 39.90 ? 44 LYS A CA 1 ATOM 309 C C . LYS A 1 44 ? 118.926 5.517 20.333 1.00 40.12 ? 44 LYS A C 1 ATOM 310 O O . LYS A 1 44 ? 118.835 6.733 20.633 1.00 38.82 ? 44 LYS A O 1 ATOM 311 C CB . LYS A 1 44 ? 117.937 4.551 18.268 1.00 40.71 ? 44 LYS A CB 1 ATOM 312 C CG . LYS A 1 44 ? 116.991 3.545 17.586 1.00 41.53 ? 44 LYS A CG 1 ATOM 313 C CD . LYS A 1 44 ? 117.532 3.278 16.194 1.00 44.65 ? 44 LYS A CD 1 ATOM 314 C CE . LYS A 1 44 ? 117.493 1.808 15.905 1.00 49.85 ? 44 LYS A CE 1 ATOM 315 N NZ . LYS A 1 44 ? 116.029 1.388 15.862 1.00 55.90 ? 44 LYS A NZ 1 ATOM 316 N N . LYS A 1 45 ? 120.043 4.799 20.449 1.00 39.79 ? 45 LYS A N 1 ATOM 317 C CA . LYS A 1 45 ? 121.311 5.370 20.851 1.00 40.65 ? 45 LYS A CA 1 ATOM 318 C C . LYS A 1 45 ? 121.578 6.437 19.817 1.00 41.59 ? 45 LYS A C 1 ATOM 319 O O . LYS A 1 45 ? 121.088 6.320 18.673 1.00 41.91 ? 45 LYS A O 1 ATOM 320 C CB . LYS A 1 45 ? 122.448 4.285 20.948 1.00 39.92 ? 45 LYS A CB 1 ATOM 321 C CG . LYS A 1 45 ? 122.146 3.243 22.030 1.00 40.75 ? 45 LYS A CG 1 ATOM 322 C CD . LYS A 1 45 ? 123.312 2.415 22.643 1.00 42.24 ? 45 LYS A CD 1 ATOM 323 C CE . LYS A 1 45 ? 124.590 2.333 21.864 1.00 45.04 ? 45 LYS A CE 1 ATOM 324 N NZ . LYS A 1 45 ? 125.454 1.136 22.305 1.00 41.79 ? 45 LYS A NZ 1 ATOM 325 N N . PRO A 1 46 ? 122.293 7.499 20.210 1.00 41.78 ? 46 PRO A N 1 ATOM 326 C CA . PRO A 1 46 ? 122.565 8.605 19.299 1.00 42.68 ? 46 PRO A CA 1 ATOM 327 C C . PRO A 1 46 ? 123.494 8.112 18.215 1.00 44.39 ? 46 PRO A C 1 ATOM 328 O O . PRO A 1 46 ? 124.382 7.311 18.493 1.00 44.08 ? 46 PRO A O 1 ATOM 329 C CB . PRO A 1 46 ? 123.299 9.631 20.185 1.00 42.38 ? 46 PRO A CB 1 ATOM 330 C CG . PRO A 1 46 ? 123.862 8.819 21.323 1.00 39.75 ? 46 PRO A CG 1 ATOM 331 C CD . PRO A 1 46 ? 122.902 7.702 21.538 1.00 41.02 ? 46 PRO A CD 1 ATOM 332 N N . GLN A 1 47 ? 123.309 8.606 17.001 1.00 46.58 ? 47 GLN A N 1 ATOM 333 C CA . GLN A 1 47 ? 124.103 8.162 15.866 1.00 48.36 ? 47 GLN A CA 1 ATOM 334 C C . GLN A 1 47 ? 125.069 9.265 15.525 1.00 49.37 ? 47 GLN A C 1 ATOM 335 O O . GLN A 1 47 ? 124.773 10.437 15.691 1.00 47.76 ? 47 GLN A O 1 ATOM 336 C CB . GLN A 1 47 ? 123.199 7.823 14.670 1.00 47.82 ? 47 GLN A CB 1 ATOM 337 C CG . GLN A 1 47 ? 122.019 6.899 15.021 1.00 50.72 ? 47 GLN A CG 1 ATOM 338 C CD . GLN A 1 47 ? 122.420 5.464 15.315 1.00 56.57 ? 47 GLN A CD 1 ATOM 339 O OE1 . GLN A 1 47 ? 123.303 4.917 14.624 1.00 56.82 ? 47 GLN A OE1 1 ATOM 340 N NE2 . GLN A 1 47 ? 121.776 4.832 16.353 1.00 53.88 ? 47 GLN A NE2 1 ATOM 341 N N . SER A 1 48 ? 126.249 8.879 15.062 1.00 52.78 ? 48 SER A N 1 ATOM 342 C CA . SER A 1 48 ? 127.314 9.845 14.825 1.00 56.24 ? 48 SER A CA 1 ATOM 343 C C . SER A 1 48 ? 126.983 10.756 13.634 1.00 57.77 ? 48 SER A C 1 ATOM 344 O O . SER A 1 48 ? 126.318 10.360 12.670 1.00 57.96 ? 48 SER A O 1 ATOM 345 C CB . SER A 1 48 ? 128.681 9.149 14.690 1.00 56.97 ? 48 SER A CB 1 ATOM 346 O OG . SER A 1 48 ? 128.681 8.245 13.585 1.00 59.17 ? 48 SER A OG 1 ATOM 347 N N . LEU A 1 49 ? 127.448 11.987 13.743 1.00 59.66 ? 49 LEU A N 1 ATOM 348 C CA . LEU A 1 49 ? 127.119 13.048 12.821 1.00 62.24 ? 49 LEU A CA 1 ATOM 349 C C . LEU A 1 49 ? 128.111 13.104 11.665 1.00 64.02 ? 49 LEU A C 1 ATOM 350 O O . LEU A 1 49 ? 129.342 12.977 11.858 1.00 64.65 ? 49 LEU A O 1 ATOM 351 C CB . LEU A 1 49 ? 127.137 14.361 13.596 1.00 62.36 ? 49 LEU A CB 1 ATOM 352 C CG . LEU A 1 49 ? 126.751 15.671 12.946 1.00 62.61 ? 49 LEU A CG 1 ATOM 353 C CD1 . LEU A 1 49 ? 125.283 15.676 12.482 1.00 63.98 ? 49 LEU A CD1 1 ATOM 354 C CD2 . LEU A 1 49 ? 127.036 16.746 13.974 1.00 64.47 ? 49 LEU A CD2 1 ATOM 355 N N . THR A 1 50 ? 127.578 13.300 10.464 1.00 65.55 ? 50 THR A N 1 ATOM 356 C CA . THR A 1 50 ? 128.434 13.412 9.300 1.00 67.14 ? 50 THR A CA 1 ATOM 357 C C . THR A 1 50 ? 128.749 14.861 8.910 1.00 67.58 ? 50 THR A C 1 ATOM 358 O O . THR A 1 50 ? 128.007 15.801 9.253 1.00 67.23 ? 50 THR A O 1 ATOM 359 C CB . THR A 1 50 ? 127.903 12.574 8.104 1.00 67.66 ? 50 THR A CB 1 ATOM 360 O OG1 . THR A 1 50 ? 128.919 12.525 7.084 1.00 68.93 ? 50 THR A OG1 1 ATOM 361 C CG2 . THR A 1 50 ? 126.681 13.253 7.425 1.00 68.22 ? 50 THR A CG2 1 ATOM 362 N N . LYS A 1 51 ? 129.860 15.000 8.184 1.00 68.24 ? 51 LYS A N 1 ATOM 363 C CA . LYS A 1 51 ? 130.471 16.287 7.833 1.00 69.13 ? 51 LYS A CA 1 ATOM 364 C C . LYS A 1 51 ? 129.524 17.333 7.231 1.00 69.45 ? 51 LYS A C 1 ATOM 365 O O . LYS A 1 51 ? 128.577 17.002 6.513 1.00 69.47 ? 51 LYS A O 1 ATOM 366 C CB . LYS A 1 51 ? 131.683 16.067 6.903 0.50 69.16 ? 51 LYS A CB 1 ATOM 367 C CG . LYS A 1 51 ? 131.393 15.241 5.636 0.50 69.58 ? 51 LYS A CG 1 ATOM 368 C CD . LYS A 1 51 ? 132.573 15.224 4.655 0.50 69.81 ? 51 LYS A CD 1 ATOM 369 C CE . LYS A 1 51 ? 132.547 16.418 3.698 0.50 69.91 ? 51 LYS A CE 1 ATOM 370 N NZ . LYS A 1 51 ? 133.421 16.203 2.509 0.50 69.14 ? 51 LYS A NZ 1 ATOM 371 N N . TRP A 1 52 ? 129.772 18.595 7.574 1.00 69.90 ? 52 TRP A N 1 ATOM 372 C CA . TRP A 1 52 ? 129.220 19.714 6.822 1.00 70.22 ? 52 TRP A CA 1 ATOM 373 C C . TRP A 1 52 ? 130.355 20.519 6.207 1.00 70.69 ? 52 TRP A C 1 ATOM 374 O O . TRP A 1 52 ? 131.510 20.448 6.649 1.00 71.06 ? 52 TRP A O 1 ATOM 375 C CB . TRP A 1 52 ? 128.323 20.617 7.674 1.00 69.52 ? 52 TRP A CB 1 ATOM 376 C CG . TRP A 1 52 ? 129.018 21.277 8.820 1.00 69.21 ? 52 TRP A CG 1 ATOM 377 C CD1 . TRP A 1 52 ? 129.663 22.488 8.817 1.00 68.88 ? 52 TRP A CD1 1 ATOM 378 C CD2 . TRP A 1 52 ? 129.135 20.769 10.155 1.00 68.64 ? 52 TRP A CD2 1 ATOM 379 N NE1 . TRP A 1 52 ? 130.173 22.759 10.066 1.00 68.50 ? 52 TRP A NE1 1 ATOM 380 C CE2 . TRP A 1 52 ? 129.863 21.717 10.907 1.00 68.18 ? 52 TRP A CE2 1 ATOM 381 C CE3 . TRP A 1 52 ? 128.695 19.600 10.798 1.00 68.66 ? 52 TRP A CE3 1 ATOM 382 C CZ2 . TRP A 1 52 ? 130.158 21.532 12.263 1.00 67.20 ? 52 TRP A CZ2 1 ATOM 383 C CZ3 . TRP A 1 52 ? 128.983 19.427 12.156 1.00 68.10 ? 52 TRP A CZ3 1 ATOM 384 C CH2 . TRP A 1 52 ? 129.705 20.390 12.865 1.00 66.41 ? 52 TRP A CH2 1 ATOM 385 N N . SER A 1 53 ? 130.006 21.248 5.153 1.00 70.92 ? 53 SER A N 1 ATOM 386 C CA . SER A 1 53 ? 130.850 22.266 4.587 1.00 70.71 ? 53 SER A CA 1 ATOM 387 C C . SER A 1 53 ? 130.129 23.565 4.849 1.00 70.54 ? 53 SER A C 1 ATOM 388 O O . SER A 1 53 ? 128.946 23.587 5.268 1.00 70.94 ? 53 SER A O 1 ATOM 389 C CB . SER A 1 53 ? 131.053 22.049 3.091 1.00 71.16 ? 53 SER A CB 1 ATOM 390 O OG . SER A 1 53 ? 131.468 20.712 2.853 1.00 72.30 ? 53 SER A OG 1 ATOM 391 N N . ASP A 1 54 ? 130.850 24.649 4.587 1.00 69.62 ? 54 ASP A N 1 ATOM 392 C CA . ASP A 1 54 ? 130.477 25.961 5.063 1.00 68.28 ? 54 ASP A CA 1 ATOM 393 C C . ASP A 1 54 ? 130.644 25.982 6.595 1.00 66.86 ? 54 ASP A C 1 ATOM 394 O O . ASP A 1 54 ? 131.132 25.014 7.206 1.00 66.72 ? 54 ASP A O 1 ATOM 395 C CB . ASP A 1 54 ? 129.065 26.354 4.593 1.00 68.46 ? 54 ASP A CB 1 ATOM 396 C CG . ASP A 1 54 ? 128.994 26.582 3.080 0.50 68.85 ? 54 ASP A CG 1 ATOM 397 O OD1 . ASP A 1 54 ? 128.542 27.676 2.662 0.50 69.07 ? 54 ASP A OD1 1 ATOM 398 O OD2 . ASP A 1 54 ? 129.372 25.736 2.238 0.50 67.66 ? 54 ASP A OD2 1 ATOM 399 N N . ILE A 1 55 ? 130.264 27.097 7.196 1.00 65.01 ? 55 ILE A N 1 ATOM 400 C CA . ILE A 1 55 ? 130.562 27.348 8.581 1.00 63.09 ? 55 ILE A CA 1 ATOM 401 C C . ILE A 1 55 ? 129.286 27.207 9.389 1.00 61.77 ? 55 ILE A C 1 ATOM 402 O O . ILE A 1 55 ? 128.304 27.918 9.124 1.00 61.30 ? 55 ILE A O 1 ATOM 403 C CB . ILE A 1 55 ? 131.171 28.745 8.732 1.00 63.50 ? 55 ILE A CB 1 ATOM 404 C CG1 . ILE A 1 55 ? 132.531 28.797 8.019 1.00 63.33 ? 55 ILE A CG1 1 ATOM 405 C CG2 . ILE A 1 55 ? 131.282 29.129 10.216 1.00 63.58 ? 55 ILE A CG2 1 ATOM 406 C CD1 . ILE A 1 55 ? 133.166 30.186 7.943 1.00 63.02 ? 55 ILE A CD1 1 ATOM 407 N N . TRP A 1 56 ? 129.298 26.266 10.349 1.00 59.25 ? 56 TRP A N 1 ATOM 408 C CA . TRP A 1 56 ? 128.236 26.188 11.350 1.00 56.37 ? 56 TRP A CA 1 ATOM 409 C C . TRP A 1 56 ? 128.378 27.361 12.301 1.00 55.42 ? 56 TRP A C 1 ATOM 410 O O . TRP A 1 56 ? 129.417 27.559 12.937 1.00 54.82 ? 56 TRP A O 1 ATOM 411 C CB . TRP A 1 56 ? 128.247 24.875 12.125 1.00 55.93 ? 56 TRP A CB 1 ATOM 412 C CG . TRP A 1 56 ? 127.039 24.746 12.986 1.00 53.72 ? 56 TRP A CG 1 ATOM 413 C CD1 . TRP A 1 56 ? 126.763 25.432 14.133 1.00 51.05 ? 56 TRP A CD1 1 ATOM 414 C CD2 . TRP A 1 56 ? 125.908 23.913 12.735 1.00 52.54 ? 56 TRP A CD2 1 ATOM 415 N NE1 . TRP A 1 56 ? 125.530 25.067 14.621 1.00 50.82 ? 56 TRP A NE1 1 ATOM 416 C CE2 . TRP A 1 56 ? 124.986 24.127 13.786 1.00 51.28 ? 56 TRP A CE2 1 ATOM 417 C CE3 . TRP A 1 56 ? 125.587 22.982 11.734 1.00 54.17 ? 56 TRP A CE3 1 ATOM 418 C CZ2 . TRP A 1 56 ? 123.768 23.455 13.868 1.00 53.22 ? 56 TRP A CZ2 1 ATOM 419 C CZ3 . TRP A 1 56 ? 124.366 22.298 11.817 1.00 55.47 ? 56 TRP A CZ3 1 ATOM 420 C CH2 . TRP A 1 56 ? 123.470 22.550 12.882 1.00 54.34 ? 56 TRP A CH2 1 ATOM 421 N N . ASN A 1 57 ? 127.310 28.135 12.386 1.00 54.44 ? 57 ASN A N 1 ATOM 422 C CA . ASN A 1 57 ? 127.244 29.282 13.246 1.00 54.06 ? 57 ASN A CA 1 ATOM 423 C C . ASN A 1 57 ? 126.769 28.828 14.628 1.00 52.45 ? 57 ASN A C 1 ATOM 424 O O . ASN A 1 57 ? 125.596 28.503 14.799 1.00 52.01 ? 57 ASN A O 1 ATOM 425 C CB . ASN A 1 57 ? 126.272 30.317 12.649 1.00 55.69 ? 57 ASN A CB 1 ATOM 426 C CG . ASN A 1 57 ? 126.889 31.118 11.505 1.00 59.63 ? 57 ASN A CG 1 ATOM 427 O OD1 . ASN A 1 57 ? 128.131 31.235 11.398 1.00 61.19 ? 57 ASN A OD1 1 ATOM 428 N ND2 . ASN A 1 57 ? 126.014 31.688 10.645 1.00 66.13 ? 57 ASN A ND2 1 ATOM 429 N N . ALA A 1 58 ? 127.699 28.781 15.592 1.00 50.02 ? 58 ALA A N 1 ATOM 430 C CA . ALA A 1 58 ? 127.390 28.432 16.978 1.00 46.93 ? 58 ALA A CA 1 ATOM 431 C C . ALA A 1 58 ? 127.268 29.716 17.791 1.00 45.40 ? 58 ALA A C 1 ATOM 432 O O . ALA A 1 58 ? 128.085 30.024 18.663 1.00 44.74 ? 58 ALA A O 1 ATOM 433 C CB . ALA A 1 58 ? 128.487 27.501 17.540 1.00 46.40 ? 58 ALA A CB 1 ATOM 434 N N . THR A 1 59 ? 126.232 30.479 17.494 1.00 43.75 ? 59 THR A N 1 ATOM 435 C CA . THR A 1 59 ? 126.122 31.840 18.009 1.00 42.05 ? 59 THR A CA 1 ATOM 436 C C . THR A 1 59 ? 124.867 31.992 18.845 1.00 41.62 ? 59 THR A C 1 ATOM 437 O O . THR A 1 59 ? 124.585 33.070 19.366 1.00 41.74 ? 59 THR A O 1 ATOM 438 C CB . THR A 1 59 ? 126.135 32.862 16.839 1.00 43.37 ? 59 THR A CB 1 ATOM 439 O OG1 . THR A 1 59 ? 125.318 32.349 15.760 1.00 42.27 ? 59 THR A OG1 1 ATOM 440 C CG2 . THR A 1 59 ? 127.543 32.885 16.221 1.00 39.80 ? 59 THR A CG2 1 ATOM 441 N N . LYS A 1 60 ? 124.122 30.901 19.005 1.00 40.56 ? 60 LYS A N 1 ATOM 442 C CA . LYS A 1 60 ? 123.024 30.911 19.971 1.00 40.50 ? 60 LYS A CA 1 ATOM 443 C C . LYS A 1 60 ? 122.800 29.520 20.544 1.00 38.49 ? 60 LYS A C 1 ATOM 444 O O . LYS A 1 60 ? 123.142 28.530 19.917 1.00 38.12 ? 60 LYS A O 1 ATOM 445 C CB . LYS A 1 60 ? 121.713 31.476 19.340 1.00 40.54 ? 60 LYS A CB 1 ATOM 446 C CG . LYS A 1 60 ? 121.175 30.714 18.187 1.00 43.34 ? 60 LYS A CG 1 ATOM 447 C CD . LYS A 1 60 ? 119.873 31.399 17.579 0.80 47.47 ? 60 LYS A CD 1 ATOM 448 C CE . LYS A 1 60 ? 118.851 31.862 18.659 0.80 50.63 ? 60 LYS A CE 1 ATOM 449 N NZ . LYS A 1 60 ? 117.509 32.327 18.129 0.80 53.79 ? 60 LYS A NZ 1 ATOM 450 N N . TYR A 1 61 ? 122.207 29.466 21.721 1.00 37.10 ? 61 TYR A N 1 ATOM 451 C CA . TYR A 1 61 ? 121.818 28.174 22.309 1.00 36.84 ? 61 TYR A CA 1 ATOM 452 C C . TYR A 1 61 ? 120.842 27.460 21.394 1.00 36.31 ? 61 TYR A C 1 ATOM 453 O O . TYR A 1 61 ? 119.983 28.092 20.786 1.00 36.68 ? 61 TYR A O 1 ATOM 454 C CB . TYR A 1 61 ? 121.141 28.394 23.649 1.00 35.65 ? 61 TYR A CB 1 ATOM 455 C CG . TYR A 1 61 ? 122.036 28.853 24.788 1.00 36.62 ? 61 TYR A CG 1 ATOM 456 C CD1 . TYR A 1 61 ? 123.050 28.029 25.279 1.00 33.03 ? 61 TYR A CD1 1 ATOM 457 C CD2 . TYR A 1 61 ? 121.808 30.078 25.433 1.00 37.20 ? 61 TYR A CD2 1 ATOM 458 C CE1 . TYR A 1 61 ? 123.869 28.432 26.362 1.00 33.93 ? 61 TYR A CE1 1 ATOM 459 C CE2 . TYR A 1 61 ? 122.597 30.469 26.513 1.00 36.38 ? 61 TYR A CE2 1 ATOM 460 C CZ . TYR A 1 61 ? 123.623 29.637 26.970 1.00 34.09 ? 61 TYR A CZ 1 ATOM 461 O OH . TYR A 1 61 ? 124.397 30.004 28.063 1.00 35.38 ? 61 TYR A OH 1 ATOM 462 N N . ALA A 1 62 ? 120.966 26.148 21.325 1.00 35.12 ? 62 ALA A N 1 ATOM 463 C CA . ALA A 1 62 ? 120.114 25.312 20.494 1.00 34.86 ? 62 ALA A CA 1 ATOM 464 C C . ALA A 1 62 ? 118.839 24.925 21.223 1.00 34.66 ? 62 ALA A C 1 ATOM 465 O O . ALA A 1 62 ? 118.680 25.252 22.413 1.00 34.59 ? 62 ALA A O 1 ATOM 466 C CB . ALA A 1 62 ? 120.901 24.053 20.039 1.00 33.92 ? 62 ALA A CB 1 ATOM 467 N N . ASN A 1 63 ? 117.938 24.227 20.532 1.00 34.37 ? 63 ASN A N 1 ATOM 468 C CA . ASN A 1 63 ? 116.739 23.686 21.154 1.00 34.66 ? 63 ASN A CA 1 ATOM 469 C C . ASN A 1 63 ? 117.076 22.823 22.388 1.00 34.97 ? 63 ASN A C 1 ATOM 470 O O . ASN A 1 63 ? 118.051 22.096 22.345 1.00 34.01 ? 63 ASN A O 1 ATOM 471 C CB . ASN A 1 63 ? 116.034 22.727 20.212 1.00 35.23 ? 63 ASN A CB 1 ATOM 472 C CG . ASN A 1 63 ? 115.585 23.390 18.908 1.00 37.33 ? 63 ASN A CG 1 ATOM 473 O OD1 . ASN A 1 63 ? 115.318 24.577 18.863 1.00 33.33 ? 63 ASN A OD1 1 ATOM 474 N ND2 . ASN A 1 63 ? 115.521 22.599 17.856 1.00 36.81 ? 63 ASN A ND2 1 ATOM 475 N N . SER A 1 64 ? 116.224 22.894 23.420 1.00 34.50 ? 64 SER A N 1 ATOM 476 C CA . SER A 1 64 ? 116.269 22.017 24.593 1.00 34.43 ? 64 SER A CA 1 ATOM 477 C C . SER A 1 64 ? 115.480 20.743 24.230 1.00 35.65 ? 64 SER A C 1 ATOM 478 O O . SER A 1 64 ? 114.581 20.804 23.377 1.00 36.68 ? 64 SER A O 1 ATOM 479 C CB . SER A 1 64 ? 115.610 22.699 25.783 1.00 33.49 ? 64 SER A CB 1 ATOM 480 O OG . SER A 1 64 ? 116.243 23.900 26.153 1.00 31.35 ? 64 SER A OG 1 ATOM 481 N N . CYS A 1 65 ? 115.789 19.602 24.851 1.00 34.51 ? 65 CYS A N 1 ATOM 482 C CA . CYS A 1 65 ? 115.075 18.356 24.557 1.00 34.53 ? 65 CYS A CA 1 ATOM 483 C C . CYS A 1 65 ? 113.625 18.422 25.024 1.00 34.46 ? 65 CYS A C 1 ATOM 484 O O . CYS A 1 65 ? 113.323 19.195 25.928 1.00 33.65 ? 65 CYS A O 1 ATOM 485 C CB . CYS A 1 65 ? 115.814 17.141 25.181 1.00 34.87 ? 65 CYS A CB 1 ATOM 486 S SG . CYS A 1 65 ? 117.481 17.056 24.473 1.00 34.42 ? 65 CYS A SG 1 HETATM 487 N N . CSS A 1 66 ? 112.743 17.611 24.412 1.00 34.85 ? 66 CSS A N 1 HETATM 488 C CA . CSS A 1 66 ? 111.328 17.618 24.818 1.00 35.87 ? 66 CSS A CA 1 HETATM 489 C CB . CSS A 1 66 ? 110.498 16.630 24.002 1.00 36.17 ? 66 CSS A CB 1 HETATM 490 S SG . CSS A 1 66 ? 110.570 16.926 22.237 1.00 41.05 ? 66 CSS A SG 1 HETATM 491 S SD . CSS A 1 66 ? 109.513 18.664 22.281 1.00 49.17 ? 66 CSS A SD 1 HETATM 492 C C . CSS A 1 66 ? 111.234 17.234 26.282 1.00 36.23 ? 66 CSS A C 1 HETATM 493 O O . CSS A 1 66 ? 111.947 16.317 26.757 1.00 35.91 ? 66 CSS A O 1 ATOM 494 N N . GLN A 1 67 ? 110.380 17.949 27.000 1.00 35.37 ? 67 GLN A N 1 ATOM 495 C CA . GLN A 1 67 ? 110.212 17.700 28.412 1.00 35.39 ? 67 GLN A CA 1 ATOM 496 C C . GLN A 1 67 ? 108.958 18.426 28.902 1.00 35.54 ? 67 GLN A C 1 ATOM 497 O O . GLN A 1 67 ? 108.589 19.448 28.350 1.00 35.92 ? 67 GLN A O 1 ATOM 498 C CB . GLN A 1 67 ? 111.406 18.255 29.210 1.00 34.31 ? 67 GLN A CB 1 ATOM 499 C CG . GLN A 1 67 ? 111.738 19.739 28.900 1.00 32.07 ? 67 GLN A CG 1 ATOM 500 C CD . GLN A 1 67 ? 113.082 20.126 29.513 1.00 35.34 ? 67 GLN A CD 1 ATOM 501 O OE1 . GLN A 1 67 ? 113.159 20.451 30.694 1.00 28.06 ? 67 GLN A OE1 1 ATOM 502 N NE2 . GLN A 1 67 ? 114.132 20.082 28.707 1.00 32.57 ? 67 GLN A NE2 1 ATOM 503 N N . ASN A 1 68 ? 108.364 17.893 29.954 1.00 35.52 ? 68 ASN A N 1 ATOM 504 C CA . ASN A 1 68 ? 107.344 18.568 30.718 1.00 37.32 ? 68 ASN A CA 1 ATOM 505 C C . ASN A 1 68 ? 107.964 19.693 31.524 1.00 38.72 ? 68 ASN A C 1 ATOM 506 O O . ASN A 1 68 ? 109.158 19.653 31.871 1.00 38.66 ? 68 ASN A O 1 ATOM 507 C CB . ASN A 1 68 ? 106.622 17.564 31.607 1.00 36.55 ? 68 ASN A CB 1 ATOM 508 C CG . ASN A 1 68 ? 105.772 16.580 30.785 1.00 40.69 ? 68 ASN A CG 1 ATOM 509 O OD1 . ASN A 1 68 ? 104.925 16.987 29.971 1.00 40.84 ? 68 ASN A OD1 1 ATOM 510 N ND2 . ASN A 1 68 ? 106.016 15.297 30.962 1.00 40.01 ? 68 ASN A ND2 1 ATOM 511 N N . ILE A 1 69 ? 107.151 20.701 31.812 1.00 39.58 ? 69 ILE A N 1 ATOM 512 C CA . ILE A 1 69 ? 107.597 21.875 32.506 1.00 41.51 ? 69 ILE A CA 1 ATOM 513 C C . ILE A 1 69 ? 106.974 21.956 33.875 1.00 41.71 ? 69 ILE A C 1 ATOM 514 O O . ILE A 1 69 ? 105.853 21.514 34.081 1.00 41.80 ? 69 ILE A O 1 ATOM 515 C CB . ILE A 1 69 ? 107.253 23.123 31.650 1.00 42.75 ? 69 ILE A CB 1 ATOM 516 C CG1 . ILE A 1 69 ? 108.446 23.516 30.778 1.00 44.93 ? 69 ILE A CG1 1 ATOM 517 C CG2 . ILE A 1 69 ? 107.000 24.335 32.498 1.00 44.12 ? 69 ILE A CG2 1 ATOM 518 C CD1 . ILE A 1 69 ? 108.684 22.738 29.545 1.00 41.93 ? 69 ILE A CD1 1 ATOM 519 N N . ASP A 1 70 ? 107.711 22.528 34.822 1.00 42.46 ? 70 ASP A N 1 ATOM 520 C CA . ASP A 1 70 ? 107.152 22.874 36.122 1.00 43.50 ? 70 ASP A CA 1 ATOM 521 C C . ASP A 1 70 ? 106.157 24.075 36.040 1.00 43.78 ? 70 ASP A C 1 ATOM 522 O O . ASP A 1 70 ? 106.592 25.239 35.992 1.00 44.51 ? 70 ASP A O 1 ATOM 523 C CB . ASP A 1 70 ? 108.300 23.203 37.080 1.00 43.28 ? 70 ASP A CB 1 ATOM 524 C CG . ASP A 1 70 ? 107.818 23.654 38.433 1.00 44.02 ? 70 ASP A CG 1 ATOM 525 O OD1 . ASP A 1 70 ? 108.660 24.081 39.238 1.00 42.20 ? 70 ASP A OD1 1 ATOM 526 O OD2 . ASP A 1 70 ? 106.613 23.604 38.803 1.00 49.19 ? 70 ASP A OD2 1 ATOM 527 N N . GLN A 1 71 ? 104.853 23.780 36.070 1.00 43.95 ? 71 GLN A N 1 ATOM 528 C CA . GLN A 1 71 ? 103.791 24.816 36.048 1.00 45.20 ? 71 GLN A CA 1 ATOM 529 C C . GLN A 1 71 ? 103.188 25.091 37.437 1.00 44.75 ? 71 GLN A C 1 ATOM 530 O O . GLN A 1 71 ? 102.119 25.741 37.547 1.00 44.40 ? 71 GLN A O 1 ATOM 531 C CB . GLN A 1 71 ? 102.653 24.421 35.100 1.00 45.28 ? 71 GLN A CB 1 ATOM 532 C CG . GLN A 1 71 ? 103.097 24.067 33.680 1.00 49.44 ? 71 GLN A CG 1 ATOM 533 C CD . GLN A 1 71 ? 102.097 23.141 32.951 1.00 54.21 ? 71 GLN A CD 1 ATOM 534 O OE1 . GLN A 1 71 ? 102.492 22.378 32.055 1.00 57.11 ? 71 GLN A OE1 1 ATOM 535 N NE2 . GLN A 1 71 ? 100.811 23.211 33.328 1.00 56.11 ? 71 GLN A NE2 1 ATOM 536 N N . SER A 1 72 ? 103.869 24.635 38.497 1.00 42.94 ? 72 SER A N 1 ATOM 537 C CA . SER A 1 72 ? 103.335 24.813 39.846 1.00 42.56 ? 72 SER A CA 1 ATOM 538 C C . SER A 1 72 ? 103.268 26.250 40.280 1.00 41.38 ? 72 SER A C 1 ATOM 539 O O . SER A 1 72 ? 102.401 26.626 41.047 1.00 41.42 ? 72 SER A O 1 ATOM 540 C CB . SER A 1 72 ? 104.101 23.990 40.910 1.00 42.77 ? 72 SER A CB 1 ATOM 541 O OG . SER A 1 72 ? 103.889 22.614 40.710 1.00 44.76 ? 72 SER A OG 1 ATOM 542 N N . PHE A 1 73 ? 104.198 27.068 39.828 1.00 39.57 ? 73 PHE A N 1 ATOM 543 C CA . PHE A 1 73 ? 104.237 28.433 40.334 1.00 38.75 ? 73 PHE A CA 1 ATOM 544 C C . PHE A 1 73 ? 104.428 29.433 39.194 1.00 37.71 ? 73 PHE A C 1 ATOM 545 O O . PHE A 1 73 ? 105.448 30.108 39.150 1.00 37.49 ? 73 PHE A O 1 ATOM 546 C CB . PHE A 1 73 ? 105.378 28.566 41.348 1.00 38.66 ? 73 PHE A CB 1 ATOM 547 C CG . PHE A 1 73 ? 105.269 27.624 42.506 1.00 39.95 ? 73 PHE A CG 1 ATOM 548 C CD1 . PHE A 1 73 ? 104.282 27.812 43.484 1.00 38.36 ? 73 PHE A CD1 1 ATOM 549 C CD2 . PHE A 1 73 ? 106.133 26.525 42.612 1.00 37.64 ? 73 PHE A CD2 1 ATOM 550 C CE1 . PHE A 1 73 ? 104.158 26.929 44.554 1.00 40.62 ? 73 PHE A CE1 1 ATOM 551 C CE2 . PHE A 1 73 ? 106.013 25.658 43.675 1.00 38.08 ? 73 PHE A CE2 1 ATOM 552 C CZ . PHE A 1 73 ? 105.027 25.855 44.657 1.00 39.28 ? 73 PHE A CZ 1 ATOM 553 N N . PRO A 1 74 ? 103.459 29.573 38.291 1.00 37.16 ? 74 PRO A N 1 ATOM 554 C CA . PRO A 1 74 ? 103.658 30.484 37.136 1.00 36.50 ? 74 PRO A CA 1 ATOM 555 C C . PRO A 1 74 ? 103.988 31.896 37.630 1.00 35.53 ? 74 PRO A C 1 ATOM 556 O O . PRO A 1 74 ? 103.450 32.358 38.657 1.00 35.58 ? 74 PRO A O 1 ATOM 557 C CB . PRO A 1 74 ? 102.311 30.468 36.418 1.00 36.78 ? 74 PRO A CB 1 ATOM 558 C CG . PRO A 1 74 ? 101.573 29.313 36.972 1.00 38.26 ? 74 PRO A CG 1 ATOM 559 C CD . PRO A 1 74 ? 102.096 29.035 38.356 1.00 35.90 ? 74 PRO A CD 1 ATOM 560 N N . GLY A 1 75 ? 104.896 32.545 36.924 1.00 34.96 ? 75 GLY A N 1 ATOM 561 C CA . GLY A 1 75 ? 105.324 33.878 37.245 1.00 34.86 ? 75 GLY A CA 1 ATOM 562 C C . GLY A 1 75 ? 106.359 33.975 38.332 1.00 35.34 ? 75 GLY A C 1 ATOM 563 O O . GLY A 1 75 ? 106.791 35.063 38.634 1.00 35.43 ? 75 GLY A O 1 ATOM 564 N N . PHE A 1 76 ? 106.705 32.841 38.962 1.00 35.13 ? 76 PHE A N 1 ATOM 565 C CA . PHE A 1 76 ? 107.600 32.845 40.126 1.00 35.33 ? 76 PHE A CA 1 ATOM 566 C C . PHE A 1 76 ? 109.000 32.456 39.701 1.00 35.84 ? 76 PHE A C 1 ATOM 567 O O . PHE A 1 76 ? 109.197 31.368 39.199 1.00 36.03 ? 76 PHE A O 1 ATOM 568 C CB . PHE A 1 76 ? 107.078 31.915 41.236 1.00 34.66 ? 76 PHE A CB 1 ATOM 569 C CG . PHE A 1 76 ? 107.987 31.816 42.429 1.00 32.59 ? 76 PHE A CG 1 ATOM 570 C CD1 . PHE A 1 76 ? 108.438 32.959 43.085 1.00 31.81 ? 76 PHE A CD1 1 ATOM 571 C CD2 . PHE A 1 76 ? 108.436 30.545 42.874 1.00 32.46 ? 76 PHE A CD2 1 ATOM 572 C CE1 . PHE A 1 76 ? 109.283 32.867 44.213 1.00 33.64 ? 76 PHE A CE1 1 ATOM 573 C CE2 . PHE A 1 76 ? 109.269 30.433 43.989 1.00 31.43 ? 76 PHE A CE2 1 ATOM 574 C CZ . PHE A 1 76 ? 109.686 31.572 44.664 1.00 33.94 ? 76 PHE A CZ 1 ATOM 575 N N . HIS A 1 77 ? 109.965 33.359 39.914 1.00 36.42 ? 77 HIS A N 1 ATOM 576 C CA . HIS A 1 77 ? 111.333 33.137 39.474 1.00 37.27 ? 77 HIS A CA 1 ATOM 577 C C . HIS A 1 77 ? 111.971 31.866 40.112 1.00 37.12 ? 77 HIS A C 1 ATOM 578 O O . HIS A 1 77 ? 112.807 31.199 39.477 1.00 36.97 ? 77 HIS A O 1 ATOM 579 C CB . HIS A 1 77 ? 112.219 34.369 39.744 1.00 37.68 ? 77 HIS A CB 1 ATOM 580 C CG . HIS A 1 77 ? 113.601 34.234 39.166 1.00 40.04 ? 77 HIS A CG 1 ATOM 581 N ND1 . HIS A 1 77 ? 113.830 34.064 37.815 1.00 41.81 ? 77 HIS A ND1 1 ATOM 582 C CD2 . HIS A 1 77 ? 114.818 34.204 39.760 1.00 40.44 ? 77 HIS A CD2 1 ATOM 583 C CE1 . HIS A 1 77 ? 115.126 33.948 37.600 1.00 41.63 ? 77 HIS A CE1 1 ATOM 584 N NE2 . HIS A 1 77 ? 115.744 34.016 38.770 1.00 42.97 ? 77 HIS A NE2 1 ATOM 585 N N . GLY A 1 78 ? 111.604 31.557 41.358 1.00 36.60 ? 78 GLY A N 1 ATOM 586 C CA . GLY A 1 78 ? 112.254 30.438 42.089 1.00 35.70 ? 78 GLY A CA 1 ATOM 587 C C . GLY A 1 78 ? 112.080 29.138 41.337 1.00 36.13 ? 78 GLY A C 1 ATOM 588 O O . GLY A 1 78 ? 112.970 28.294 41.307 1.00 36.23 ? 78 GLY A O 1 ATOM 589 N N . SER A 1 79 ? 110.936 28.958 40.678 1.00 36.62 ? 79 SER A N 1 ATOM 590 C CA . SER A 1 79 ? 110.706 27.730 39.956 1.00 35.81 ? 79 SER A CA 1 ATOM 591 C C . SER A 1 79 ? 110.999 27.901 38.506 1.00 36.48 ? 79 SER A C 1 ATOM 592 O O . SER A 1 79 ? 111.503 26.957 37.823 1.00 35.02 ? 79 SER A O 1 ATOM 593 C CB . SER A 1 79 ? 109.261 27.235 40.166 1.00 37.74 ? 79 SER A CB 1 ATOM 594 O OG . SER A 1 79 ? 108.312 28.195 39.730 1.00 39.99 ? 79 SER A OG 1 ATOM 595 N N . GLU A 1 80 ? 110.660 29.100 38.000 1.00 34.98 ? 80 GLU A N 1 ATOM 596 C CA . GLU A 1 80 ? 110.762 29.344 36.589 1.00 35.76 ? 80 GLU A CA 1 ATOM 597 C C . GLU A 1 80 ? 112.182 29.396 36.079 1.00 34.45 ? 80 GLU A C 1 ATOM 598 O O . GLU A 1 80 ? 112.416 29.119 34.922 1.00 34.54 ? 80 GLU A O 1 ATOM 599 C CB . GLU A 1 80 ? 109.925 30.590 36.146 1.00 37.39 ? 80 GLU A CB 1 ATOM 600 C CG . GLU A 1 80 ? 108.414 30.389 36.350 1.00 38.78 ? 80 GLU A CG 1 ATOM 601 C CD . GLU A 1 80 ? 107.521 31.391 35.589 1.00 44.64 ? 80 GLU A CD 1 ATOM 602 O OE1 . GLU A 1 80 ? 106.378 31.003 35.265 1.00 44.37 ? 80 GLU A OE1 1 ATOM 603 O OE2 . GLU A 1 80 ? 107.966 32.541 35.314 1.00 45.78 ? 80 GLU A OE2 1 ATOM 604 N N . MET A 1 81 ? 113.134 29.774 36.922 1.00 34.11 ? 81 MET A N 1 ATOM 605 C CA . MET A 1 81 ? 114.552 29.798 36.531 1.00 33.89 ? 81 MET A CA 1 ATOM 606 C C . MET A 1 81 ? 115.130 28.447 36.087 1.00 33.44 ? 81 MET A C 1 ATOM 607 O O . MET A 1 81 ? 116.198 28.416 35.439 1.00 34.21 ? 81 MET A O 1 ATOM 608 C CB . MET A 1 81 ? 115.398 30.315 37.699 1.00 34.57 ? 81 MET A CB 1 ATOM 609 C CG . MET A 1 81 ? 115.374 29.404 38.908 1.00 32.81 ? 81 MET A CG 1 ATOM 610 S SD . MET A 1 81 ? 116.393 30.090 40.228 1.00 39.17 ? 81 MET A SD 1 ATOM 611 C CE . MET A 1 81 ? 117.995 29.577 39.591 1.00 33.27 ? 81 MET A CE 1 ATOM 612 N N . TRP A 1 82 ? 114.448 27.355 36.452 1.00 33.35 ? 82 TRP A N 1 ATOM 613 C CA . TRP A 1 82 ? 114.807 25.971 36.076 1.00 33.12 ? 82 TRP A CA 1 ATOM 614 C C . TRP A 1 82 ? 114.108 25.478 34.813 1.00 34.12 ? 82 TRP A C 1 ATOM 615 O O . TRP A 1 82 ? 114.568 24.520 34.151 1.00 34.79 ? 82 TRP A O 1 ATOM 616 C CB . TRP A 1 82 ? 114.508 25.013 37.248 1.00 33.41 ? 82 TRP A CB 1 ATOM 617 C CG . TRP A 1 82 ? 115.161 25.455 38.536 1.00 31.30 ? 82 TRP A CG 1 ATOM 618 C CD1 . TRP A 1 82 ? 114.540 25.975 39.640 1.00 31.49 ? 82 TRP A CD1 1 ATOM 619 C CD2 . TRP A 1 82 ? 116.554 25.434 38.828 1.00 31.22 ? 82 TRP A CD2 1 ATOM 620 N NE1 . TRP A 1 82 ? 115.468 26.255 40.623 1.00 32.23 ? 82 TRP A NE1 1 ATOM 621 C CE2 . TRP A 1 82 ? 116.717 25.928 40.145 1.00 34.92 ? 82 TRP A CE2 1 ATOM 622 C CE3 . TRP A 1 82 ? 117.692 25.001 38.124 1.00 31.54 ? 82 TRP A CE3 1 ATOM 623 C CZ2 . TRP A 1 82 ? 117.984 26.024 40.774 1.00 35.24 ? 82 TRP A CZ2 1 ATOM 624 C CZ3 . TRP A 1 82 ? 118.962 25.094 38.761 1.00 34.01 ? 82 TRP A CZ3 1 ATOM 625 C CH2 . TRP A 1 82 ? 119.085 25.608 40.062 1.00 33.50 ? 82 TRP A CH2 1 ATOM 626 N N . ASN A 1 83 ? 113.019 26.143 34.418 1.00 34.50 ? 83 ASN A N 1 ATOM 627 C CA . ASN A 1 83 ? 112.340 25.773 33.138 1.00 34.42 ? 83 ASN A CA 1 ATOM 628 C C . ASN A 1 83 ? 113.217 26.071 31.907 1.00 34.24 ? 83 ASN A C 1 ATOM 629 O O . ASN A 1 83 ? 114.027 26.964 31.950 1.00 34.28 ? 83 ASN A O 1 ATOM 630 C CB . ASN A 1 83 ? 110.961 26.468 33.061 1.00 34.14 ? 83 ASN A CB 1 ATOM 631 C CG . ASN A 1 83 ? 109.963 25.889 34.073 1.00 37.30 ? 83 ASN A CG 1 ATOM 632 O OD1 . ASN A 1 83 ? 110.107 24.732 34.508 1.00 37.52 ? 83 ASN A OD1 1 ATOM 633 N ND2 . ASN A 1 83 ? 108.935 26.664 34.431 1.00 33.40 ? 83 ASN A ND2 1 ATOM 634 N N . PRO A 1 84 ? 113.073 25.325 30.814 1.00 34.54 ? 84 PRO A N 1 ATOM 635 C CA . PRO A 1 84 ? 113.844 25.560 29.615 1.00 35.99 ? 84 PRO A CA 1 ATOM 636 C C . PRO A 1 84 ? 113.644 26.968 29.050 1.00 37.01 ? 84 PRO A C 1 ATOM 637 O O . PRO A 1 84 ? 112.554 27.500 29.128 1.00 36.09 ? 84 PRO A O 1 ATOM 638 C CB . PRO A 1 84 ? 113.271 24.564 28.607 1.00 37.30 ? 84 PRO A CB 1 ATOM 639 C CG . PRO A 1 84 ? 112.498 23.597 29.367 1.00 35.77 ? 84 PRO A CG 1 ATOM 640 C CD . PRO A 1 84 ? 112.131 24.216 30.665 1.00 35.57 ? 84 PRO A CD 1 ATOM 641 N N . ASN A 1 85 ? 114.707 27.553 28.500 1.00 36.41 ? 85 ASN A N 1 ATOM 642 C CA . ASN A 1 85 ? 114.669 28.937 28.032 1.00 36.96 ? 85 ASN A CA 1 ATOM 643 C C . ASN A 1 85 ? 115.005 28.954 26.551 1.00 36.22 ? 85 ASN A C 1 ATOM 644 O O . ASN A 1 85 ? 115.435 29.929 26.002 1.00 36.94 ? 85 ASN A O 1 ATOM 645 C CB . ASN A 1 85 ? 115.640 29.809 28.864 1.00 36.97 ? 85 ASN A CB 1 ATOM 646 C CG . ASN A 1 85 ? 117.105 29.322 28.765 1.00 36.08 ? 85 ASN A CG 1 ATOM 647 O OD1 . ASN A 1 85 ? 117.375 28.185 28.352 1.00 36.47 ? 85 ASN A OD1 1 ATOM 648 N ND2 . ASN A 1 85 ? 118.038 30.177 29.160 1.00 37.04 ? 85 ASN A ND2 1 ATOM 649 N N . THR A 1 86 ? 114.814 27.823 25.908 1.00 37.26 ? 86 THR A N 1 ATOM 650 C CA . THR A 1 86 ? 115.053 27.690 24.505 1.00 36.55 ? 86 THR A CA 1 ATOM 651 C C . THR A 1 86 ? 113.919 26.755 24.028 1.00 37.67 ? 86 THR A C 1 ATOM 652 O O . THR A 1 86 ? 113.400 25.976 24.856 1.00 36.48 ? 86 THR A O 1 ATOM 653 C CB . THR A 1 86 ? 116.419 27.076 24.443 1.00 38.28 ? 86 THR A CB 1 ATOM 654 O OG1 . THR A 1 86 ? 117.322 27.898 23.675 1.00 42.58 ? 86 THR A OG1 1 ATOM 655 C CG2 . THR A 1 86 ? 116.428 25.761 23.895 1.00 29.34 ? 86 THR A CG2 1 ATOM 656 N N . ASP A 1 87 ? 113.523 26.820 22.742 1.00 36.48 ? 87 ASP A N 1 ATOM 657 C CA . ASP A 1 87 ? 112.452 25.939 22.219 1.00 38.13 ? 87 ASP A CA 1 ATOM 658 C C . ASP A 1 87 ? 112.744 24.488 22.474 1.00 37.87 ? 87 ASP A C 1 ATOM 659 O O . ASP A 1 87 ? 113.890 24.049 22.289 1.00 37.61 ? 87 ASP A O 1 ATOM 660 C CB . ASP A 1 87 ? 112.298 25.986 20.680 1.00 37.05 ? 87 ASP A CB 1 ATOM 661 C CG A ASP A 1 87 ? 112.070 27.372 20.114 0.50 38.96 ? 87 ASP A CG 1 ATOM 662 C CG B ASP A 1 87 ? 111.903 27.337 20.202 0.50 40.13 ? 87 ASP A CG 1 ATOM 663 O OD1 A ASP A 1 87 ? 110.963 27.943 20.308 0.50 39.14 ? 87 ASP A OD1 1 ATOM 664 O OD1 B ASP A 1 87 ? 110.884 27.439 19.483 0.50 38.15 ? 87 ASP A OD1 1 ATOM 665 O OD2 A ASP A 1 87 ? 112.915 27.921 19.364 0.50 36.37 ? 87 ASP A OD2 1 ATOM 666 O OD2 B ASP A 1 87 ? 112.536 28.360 20.536 0.50 42.78 ? 87 ASP A OD2 1 ATOM 667 N N . LEU A 1 88 ? 111.678 23.734 22.735 1.00 38.29 ? 88 LEU A N 1 ATOM 668 C CA . LEU A 1 88 ? 111.765 22.306 22.908 1.00 38.97 ? 88 LEU A CA 1 ATOM 669 C C . LEU A 1 88 ? 111.652 21.633 21.550 1.00 40.21 ? 88 LEU A C 1 ATOM 670 O O . LEU A 1 88 ? 110.899 22.081 20.646 1.00 39.99 ? 88 LEU A O 1 ATOM 671 C CB . LEU A 1 88 ? 110.675 21.785 23.847 1.00 39.15 ? 88 LEU A CB 1 ATOM 672 C CG . LEU A 1 88 ? 110.455 22.484 25.187 1.00 37.52 ? 88 LEU A CG 1 ATOM 673 C CD1 . LEU A 1 88 ? 109.447 21.676 25.927 1.00 33.48 ? 88 LEU A CD1 1 ATOM 674 C CD2 . LEU A 1 88 ? 111.783 22.567 26.024 1.00 34.57 ? 88 LEU A CD2 1 ATOM 675 N N . SER A 1 89 ? 112.407 20.556 21.386 1.00 39.40 ? 89 SER A N 1 ATOM 676 C CA . SER A 1 89 ? 112.434 19.869 20.095 1.00 39.50 ? 89 SER A CA 1 ATOM 677 C C . SER A 1 89 ? 113.128 18.535 20.299 1.00 39.70 ? 89 SER A C 1 ATOM 678 O O . SER A 1 89 ? 114.036 18.440 21.126 1.00 38.39 ? 89 SER A O 1 ATOM 679 C CB . SER A 1 89 ? 113.179 20.753 19.081 1.00 38.91 ? 89 SER A CB 1 ATOM 680 O OG . SER A 1 89 ? 113.460 20.050 17.880 1.00 41.72 ? 89 SER A OG 1 ATOM 681 N N . GLU A 1 90 ? 112.708 17.499 19.568 1.00 40.08 ? 90 GLU A N 1 ATOM 682 C CA . GLU A 1 90 ? 113.473 16.241 19.559 1.00 40.82 ? 90 GLU A CA 1 ATOM 683 C C . GLU A 1 90 ? 114.867 16.450 18.962 1.00 40.66 ? 90 GLU A C 1 ATOM 684 O O . GLU A 1 90 ? 115.785 15.677 19.219 1.00 40.09 ? 90 GLU A O 1 ATOM 685 C CB . GLU A 1 90 ? 112.764 15.153 18.763 1.00 40.65 ? 90 GLU A CB 1 ATOM 686 C CG . GLU A 1 90 ? 111.436 14.750 19.341 1.00 41.65 ? 90 GLU A CG 1 ATOM 687 C CD . GLU A 1 90 ? 110.936 13.502 18.680 1.00 45.76 ? 90 GLU A CD 1 ATOM 688 O OE1 . GLU A 1 90 ? 110.065 13.610 17.774 1.00 49.06 ? 90 GLU A OE1 1 ATOM 689 O OE2 . GLU A 1 90 ? 111.440 12.417 19.046 1.00 44.47 ? 90 GLU A OE2 1 ATOM 690 N N . ASP A 1 91 ? 114.984 17.487 18.139 1.00 39.93 ? 91 ASP A N 1 ATOM 691 C CA . ASP A 1 91 ? 116.234 17.904 17.545 1.00 39.84 ? 91 ASP A CA 1 ATOM 692 C C . ASP A 1 91 ? 116.978 18.803 18.572 1.00 38.13 ? 91 ASP A C 1 ATOM 693 O O . ASP A 1 91 ? 116.933 20.043 18.524 1.00 37.13 ? 91 ASP A O 1 ATOM 694 C CB . ASP A 1 91 ? 115.948 18.581 16.192 1.00 40.23 ? 91 ASP A CB 1 ATOM 695 C CG . ASP A 1 91 ? 117.170 19.124 15.546 1.00 44.71 ? 91 ASP A CG 1 ATOM 696 O OD1 . ASP A 1 91 ? 118.312 18.806 15.986 1.00 47.49 ? 91 ASP A OD1 1 ATOM 697 O OD2 . ASP A 1 91 ? 117.079 19.904 14.579 1.00 45.48 ? 91 ASP A OD2 1 ATOM 698 N N . CYS A 1 92 ? 117.670 18.141 19.515 1.00 35.92 ? 92 CYS A N 1 ATOM 699 C CA . CYS A 1 92 ? 118.210 18.847 20.674 1.00 34.95 ? 92 CYS A CA 1 ATOM 700 C C . CYS A 1 92 ? 119.671 18.372 21.064 1.00 34.59 ? 92 CYS A C 1 ATOM 701 O O . CYS A 1 92 ? 120.245 18.828 22.056 1.00 33.70 ? 92 CYS A O 1 ATOM 702 C CB . CYS A 1 92 ? 117.238 18.643 21.843 1.00 34.04 ? 92 CYS A CB 1 ATOM 703 S SG . CYS A 1 92 ? 117.195 16.926 22.415 1.00 35.73 ? 92 CYS A SG 1 ATOM 704 N N . LEU A 1 93 ? 120.253 17.489 20.268 1.00 33.80 ? 93 LEU A N 1 ATOM 705 C CA . LEU A 1 93 ? 121.612 16.974 20.562 1.00 34.62 ? 93 LEU A CA 1 ATOM 706 C C . LEU A 1 93 ? 122.695 17.973 20.179 1.00 33.46 ? 93 LEU A C 1 ATOM 707 O O . LEU A 1 93 ? 123.344 17.857 19.156 1.00 34.23 ? 93 LEU A O 1 ATOM 708 C CB . LEU A 1 93 ? 121.819 15.559 19.963 1.00 32.95 ? 93 LEU A CB 1 ATOM 709 C CG . LEU A 1 93 ? 120.779 14.564 20.486 1.00 33.39 ? 93 LEU A CG 1 ATOM 710 C CD1 . LEU A 1 93 ? 121.071 13.111 20.149 1.00 29.81 ? 93 LEU A CD1 1 ATOM 711 C CD2 . LEU A 1 93 ? 120.549 14.723 22.034 1.00 32.14 ? 93 LEU A CD2 1 ATOM 712 N N . TYR A 1 94 ? 122.854 18.981 21.020 1.00 33.64 ? 94 TYR A N 1 ATOM 713 C CA . TYR A 1 94 ? 123.845 20.047 20.806 1.00 33.81 ? 94 TYR A CA 1 ATOM 714 C C . TYR A 1 94 ? 124.614 20.281 22.098 1.00 34.40 ? 94 TYR A C 1 ATOM 715 O O . TYR A 1 94 ? 124.146 19.932 23.200 1.00 33.69 ? 94 TYR A O 1 ATOM 716 C CB . TYR A 1 94 ? 123.178 21.369 20.357 1.00 34.01 ? 94 TYR A CB 1 ATOM 717 C CG . TYR A 1 94 ? 122.372 21.193 19.045 1.00 34.95 ? 94 TYR A CG 1 ATOM 718 C CD1 . TYR A 1 94 ? 121.052 20.711 19.069 1.00 36.56 ? 94 TYR A CD1 1 ATOM 719 C CD2 . TYR A 1 94 ? 122.924 21.506 17.823 1.00 34.26 ? 94 TYR A CD2 1 ATOM 720 C CE1 . TYR A 1 94 ? 120.316 20.524 17.897 1.00 33.62 ? 94 TYR A CE1 1 ATOM 721 C CE2 . TYR A 1 94 ? 122.186 21.321 16.628 1.00 34.32 ? 94 TYR A CE2 1 ATOM 722 C CZ . TYR A 1 94 ? 120.899 20.819 16.685 1.00 37.91 ? 94 TYR A CZ 1 ATOM 723 O OH . TYR A 1 94 ? 120.160 20.573 15.518 1.00 39.47 ? 94 TYR A OH 1 ATOM 724 N N . LEU A 1 95 ? 125.787 20.879 21.930 1.00 33.94 ? 95 LEU A N 1 ATOM 725 C CA . LEU A 1 95 ? 126.629 21.230 23.030 1.00 34.48 ? 95 LEU A CA 1 ATOM 726 C C . LEU A 1 95 ? 127.195 22.637 22.857 1.00 35.08 ? 95 LEU A C 1 ATOM 727 O O . LEU A 1 95 ? 127.148 23.231 21.751 1.00 33.82 ? 95 LEU A O 1 ATOM 728 C CB . LEU A 1 95 ? 127.733 20.179 23.186 1.00 33.91 ? 95 LEU A CB 1 ATOM 729 C CG . LEU A 1 95 ? 128.744 19.979 22.049 1.00 33.37 ? 95 LEU A CG 1 ATOM 730 C CD1 . LEU A 1 95 ? 129.824 21.109 21.994 1.00 31.80 ? 95 LEU A CD1 1 ATOM 731 C CD2 . LEU A 1 95 ? 129.405 18.588 22.206 1.00 32.30 ? 95 LEU A CD2 1 ATOM 732 N N . ASN A 1 96 ? 127.703 23.167 23.968 1.00 33.94 ? 96 ASN A N 1 ATOM 733 C CA . ASN A 1 96 ? 128.265 24.496 24.038 1.00 34.18 ? 96 ASN A CA 1 ATOM 734 C C . ASN A 1 96 ? 129.725 24.420 24.498 1.00 34.40 ? 96 ASN A C 1 ATOM 735 O O . ASN A 1 96 ? 130.085 23.578 25.339 1.00 32.60 ? 96 ASN A O 1 ATOM 736 C CB . ASN A 1 96 ? 127.484 25.356 25.062 1.00 34.19 ? 96 ASN A CB 1 ATOM 737 C CG . ASN A 1 96 ? 125.984 25.292 24.848 1.00 37.31 ? 96 ASN A CG 1 ATOM 738 O OD1 . ASN A 1 96 ? 125.463 25.648 23.747 1.00 32.95 ? 96 ASN A OD1 1 ATOM 739 N ND2 . ASN A 1 96 ? 125.265 24.776 25.872 1.00 34.18 ? 96 ASN A ND2 1 ATOM 740 N N . VAL A 1 97 ? 130.545 25.327 23.977 1.00 34.23 ? 97 VAL A N 1 ATOM 741 C CA . VAL A 1 97 ? 131.936 25.462 24.405 1.00 33.62 ? 97 VAL A CA 1 ATOM 742 C C . VAL A 1 97 ? 132.260 26.905 24.735 1.00 34.20 ? 97 VAL A C 1 ATOM 743 O O . VAL A 1 97 ? 131.941 27.821 23.940 1.00 33.99 ? 97 VAL A O 1 ATOM 744 C CB . VAL A 1 97 ? 132.903 24.941 23.344 1.00 34.21 ? 97 VAL A CB 1 ATOM 745 C CG1 . VAL A 1 97 ? 134.317 24.958 23.881 1.00 33.11 ? 97 VAL A CG1 1 ATOM 746 C CG2 . VAL A 1 97 ? 132.531 23.508 22.922 1.00 34.37 ? 97 VAL A CG2 1 ATOM 747 N N . TRP A 1 98 ? 132.829 27.152 25.924 1.00 33.17 ? 98 TRP A N 1 ATOM 748 C CA . TRP A 1 98 ? 133.340 28.482 26.221 1.00 33.69 ? 98 TRP A CA 1 ATOM 749 C C . TRP A 1 98 ? 134.819 28.361 26.422 1.00 35.87 ? 98 TRP A C 1 ATOM 750 O O . TRP A 1 98 ? 135.292 27.457 27.144 1.00 35.01 ? 98 TRP A O 1 ATOM 751 C CB . TRP A 1 98 ? 132.781 29.073 27.480 1.00 32.51 ? 98 TRP A CB 1 ATOM 752 C CG . TRP A 1 98 ? 131.343 29.442 27.481 1.00 33.36 ? 98 TRP A CG 1 ATOM 753 C CD1 . TRP A 1 98 ? 130.829 30.704 27.258 1.00 31.93 ? 98 TRP A CD1 1 ATOM 754 C CD2 . TRP A 1 98 ? 130.211 28.595 27.807 1.00 32.27 ? 98 TRP A CD2 1 ATOM 755 N NE1 . TRP A 1 98 ? 129.464 30.681 27.413 1.00 34.82 ? 98 TRP A NE1 1 ATOM 756 C CE2 . TRP A 1 98 ? 129.045 29.408 27.717 1.00 33.33 ? 98 TRP A CE2 1 ATOM 757 C CE3 . TRP A 1 98 ? 130.060 27.234 28.128 1.00 30.07 ? 98 TRP A CE3 1 ATOM 758 C CZ2 . TRP A 1 98 ? 127.724 28.909 27.979 1.00 33.06 ? 98 TRP A CZ2 1 ATOM 759 C CZ3 . TRP A 1 98 ? 128.753 26.727 28.379 1.00 32.52 ? 98 TRP A CZ3 1 ATOM 760 C CH2 . TRP A 1 98 ? 127.603 27.570 28.311 1.00 31.46 ? 98 TRP A CH2 1 ATOM 761 N N . ILE A 1 99 ? 135.547 29.253 25.759 1.00 36.31 ? 99 ILE A N 1 ATOM 762 C CA . ILE A 1 99 ? 136.982 29.255 25.830 1.00 38.98 ? 99 ILE A CA 1 ATOM 763 C C . ILE A 1 99 ? 137.493 30.658 26.207 1.00 39.24 ? 99 ILE A C 1 ATOM 764 O O . ILE A 1 99 ? 136.881 31.675 25.834 1.00 40.07 ? 99 ILE A O 1 ATOM 765 C CB . ILE A 1 99 ? 137.634 28.677 24.532 1.00 38.97 ? 99 ILE A CB 1 ATOM 766 C CG1 . ILE A 1 99 ? 137.530 29.632 23.350 1.00 40.70 ? 99 ILE A CG1 1 ATOM 767 C CG2 . ILE A 1 99 ? 137.049 27.290 24.175 1.00 40.17 ? 99 ILE A CG2 1 ATOM 768 C CD1 . ILE A 1 99 ? 138.480 29.271 22.178 1.00 41.42 ? 99 ILE A CD1 1 ATOM 769 N N . PRO A 1 100 ? 138.580 30.719 26.974 1.00 39.79 ? 100 PRO A N 1 ATOM 770 C CA . PRO A 1 100 ? 139.210 32.009 27.279 1.00 40.77 ? 100 PRO A CA 1 ATOM 771 C C . PRO A 1 100 ? 139.800 32.640 25.988 1.00 41.51 ? 100 PRO A C 1 ATOM 772 O O . PRO A 1 100 ? 140.076 31.936 25.019 1.00 39.44 ? 100 PRO A O 1 ATOM 773 C CB . PRO A 1 100 ? 140.343 31.649 28.273 1.00 40.25 ? 100 PRO A CB 1 ATOM 774 C CG . PRO A 1 100 ? 140.346 30.161 28.409 1.00 40.20 ? 100 PRO A CG 1 ATOM 775 C CD . PRO A 1 100 ? 139.307 29.578 27.557 1.00 39.55 ? 100 PRO A CD 1 ATOM 776 N N . ALA A 1 101 ? 139.935 33.959 25.996 1.00 44.00 ? 101 ALA A N 1 ATOM 777 C CA . ALA A 1 101 ? 140.602 34.692 24.931 1.00 46.05 ? 101 ALA A CA 1 ATOM 778 C C . ALA A 1 101 ? 141.715 35.494 25.598 1.00 46.97 ? 101 ALA A C 1 ATOM 779 O O . ALA A 1 101 ? 141.500 36.102 26.647 1.00 48.19 ? 101 ALA A O 1 ATOM 780 C CB . ALA A 1 101 ? 139.613 35.623 24.200 1.00 46.92 ? 101 ALA A CB 1 ATOM 781 N N . PRO A 1 102 ? 142.921 35.462 25.041 1.00 48.04 ? 102 PRO A N 1 ATOM 782 C CA . PRO A 1 102 ? 143.241 34.666 23.848 1.00 47.68 ? 102 PRO A CA 1 ATOM 783 C C . PRO A 1 102 ? 143.142 33.152 24.050 1.00 47.16 ? 102 PRO A C 1 ATOM 784 O O . PRO A 1 102 ? 143.211 32.664 25.179 1.00 46.24 ? 102 PRO A O 1 ATOM 785 C CB . PRO A 1 102 ? 144.689 35.073 23.531 1.00 48.26 ? 102 PRO A CB 1 ATOM 786 C CG . PRO A 1 102 ? 145.243 35.617 24.850 1.00 49.35 ? 102 PRO A CG 1 ATOM 787 C CD . PRO A 1 102 ? 144.074 36.249 25.541 1.00 48.82 ? 102 PRO A CD 1 ATOM 788 N N . LYS A 1 103 ? 142.975 32.441 22.937 1.00 46.52 ? 103 LYS A N 1 ATOM 789 C CA . LYS A 1 103 ? 142.894 31.007 22.883 1.00 46.56 ? 103 LYS A CA 1 ATOM 790 C C . LYS A 1 103 ? 143.973 30.451 23.800 1.00 46.62 ? 103 LYS A C 1 ATOM 791 O O . LYS A 1 103 ? 145.083 30.949 23.763 1.00 45.92 ? 103 LYS A O 1 ATOM 792 C CB . LYS A 1 103 ? 143.126 30.566 21.449 1.00 47.30 ? 103 LYS A CB 1 ATOM 793 C CG . LYS A 1 103 ? 142.781 29.130 21.160 1.00 49.10 ? 103 LYS A CG 1 ATOM 794 C CD . LYS A 1 103 ? 142.436 29.014 19.685 1.00 54.33 ? 103 LYS A CD 1 ATOM 795 C CE . LYS A 1 103 ? 142.304 27.585 19.214 1.00 56.01 ? 103 LYS A CE 1 ATOM 796 N NZ . LYS A 1 103 ? 143.668 26.965 19.055 1.00 59.52 ? 103 LYS A NZ 1 ATOM 797 N N . PRO A 1 104 ? 143.631 29.491 24.669 1.00 46.15 ? 104 PRO A N 1 ATOM 798 C CA . PRO A 1 104 ? 144.595 28.924 25.598 1.00 46.29 ? 104 PRO A CA 1 ATOM 799 C C . PRO A 1 104 ? 145.397 27.889 24.861 1.00 46.37 ? 104 PRO A C 1 ATOM 800 O O . PRO A 1 104 ? 145.011 27.544 23.742 1.00 47.07 ? 104 PRO A O 1 ATOM 801 C CB . PRO A 1 104 ? 143.691 28.262 26.650 1.00 45.90 ? 104 PRO A CB 1 ATOM 802 C CG . PRO A 1 104 ? 142.554 27.778 25.850 1.00 46.40 ? 104 PRO A CG 1 ATOM 803 C CD . PRO A 1 104 ? 142.288 28.899 24.857 1.00 46.11 ? 104 PRO A CD 1 ATOM 804 N N . LYS A 1 105 ? 146.460 27.354 25.465 1.00 45.83 ? 105 LYS A N 1 ATOM 805 C CA . LYS A 1 105 ? 147.285 26.383 24.749 1.00 46.91 ? 105 LYS A CA 1 ATOM 806 C C . LYS A 1 105 ? 146.945 24.924 25.017 1.00 46.88 ? 105 LYS A C 1 ATOM 807 O O . LYS A 1 105 ? 146.964 24.085 24.100 1.00 48.27 ? 105 LYS A O 1 ATOM 808 C CB . LYS A 1 105 ? 148.785 26.647 24.977 1.00 47.96 ? 105 LYS A CB 1 ATOM 809 C CG . LYS A 1 105 ? 149.278 27.929 24.313 1.00 48.15 ? 105 LYS A CG 1 ATOM 810 C CD . LYS A 1 105 ? 150.212 27.656 23.130 1.00 51.85 ? 105 LYS A CD 1 ATOM 811 C CE . LYS A 1 105 ? 150.650 28.998 22.425 1.00 52.14 ? 105 LYS A CE 1 ATOM 812 N NZ . LYS A 1 105 ? 150.355 30.198 23.312 1.00 49.73 ? 105 LYS A NZ 1 ATOM 813 N N . ASN A 1 106 ? 146.622 24.612 26.261 1.00 44.65 ? 106 ASN A N 1 ATOM 814 C CA . ASN A 1 106 ? 146.313 23.245 26.610 1.00 43.53 ? 106 ASN A CA 1 ATOM 815 C C . ASN A 1 106 ? 145.442 23.343 27.878 1.00 41.30 ? 106 ASN A C 1 ATOM 816 O O . ASN A 1 106 ? 145.825 22.906 28.943 1.00 41.45 ? 106 ASN A O 1 ATOM 817 C CB . ASN A 1 106 ? 147.647 22.566 26.892 1.00 43.66 ? 106 ASN A CB 1 ATOM 818 C CG . ASN A 1 106 ? 147.623 21.092 26.694 1.00 48.33 ? 106 ASN A CG 1 ATOM 819 O OD1 . ASN A 1 106 ? 146.826 20.541 25.902 1.00 49.71 ? 106 ASN A OD1 1 ATOM 820 N ND2 . ASN A 1 106 ? 148.529 20.405 27.440 1.00 53.14 ? 106 ASN A ND2 1 ATOM 821 N N . ALA A 1 107 ? 144.307 24.008 27.775 1.00 39.34 ? 107 ALA A N 1 ATOM 822 C CA . ALA A 1 107 ? 143.491 24.311 28.961 1.00 37.20 ? 107 ALA A CA 1 ATOM 823 C C . ALA A 1 107 ? 142.819 23.042 29.491 1.00 36.59 ? 107 ALA A C 1 ATOM 824 O O . ALA A 1 107 ? 142.381 22.173 28.713 1.00 36.78 ? 107 ALA A O 1 ATOM 825 C CB . ALA A 1 107 ? 142.438 25.377 28.622 1.00 37.61 ? 107 ALA A CB 1 ATOM 826 N N . THR A 1 108 ? 142.712 22.938 30.815 1.00 35.33 ? 108 THR A N 1 ATOM 827 C CA . THR A 1 108 ? 141.860 21.902 31.420 1.00 34.35 ? 108 THR A CA 1 ATOM 828 C C . THR A 1 108 ? 140.378 22.137 31.033 1.00 34.05 ? 108 THR A C 1 ATOM 829 O O . THR A 1 108 ? 139.955 23.308 30.906 1.00 33.64 ? 108 THR A O 1 ATOM 830 C CB . THR A 1 108 ? 142.055 21.951 32.948 1.00 35.19 ? 108 THR A CB 1 ATOM 831 O OG1 . THR A 1 108 ? 143.239 21.195 33.270 1.00 34.50 ? 108 THR A OG1 1 ATOM 832 C CG2 . THR A 1 108 ? 140.910 21.201 33.689 1.00 33.48 ? 108 THR A CG2 1 ATOM 833 N N . VAL A 1 109 ? 139.628 21.035 30.833 1.00 33.63 ? 109 VAL A N 1 ATOM 834 C CA . VAL A 1 109 ? 138.220 21.089 30.381 1.00 33.94 ? 109 VAL A CA 1 ATOM 835 C C . VAL A 1 109 ? 137.263 20.669 31.528 1.00 33.13 ? 109 VAL A C 1 ATOM 836 O O . VAL A 1 109 ? 137.500 19.681 32.194 1.00 32.48 ? 109 VAL A O 1 ATOM 837 C CB . VAL A 1 109 ? 137.975 20.239 29.074 1.00 33.87 ? 109 VAL A CB 1 ATOM 838 C CG1 . VAL A 1 109 ? 136.533 20.402 28.524 1.00 33.05 ? 109 VAL A CG1 1 ATOM 839 C CG2 . VAL A 1 109 ? 139.006 20.633 27.935 1.00 34.90 ? 109 VAL A CG2 1 ATOM 840 N N . LEU A 1 110 ? 136.245 21.487 31.768 1.00 32.91 ? 110 LEU A N 1 ATOM 841 C CA . LEU A 1 110 ? 135.136 21.227 32.711 1.00 32.72 ? 110 LEU A CA 1 ATOM 842 C C . LEU A 1 110 ? 133.844 20.901 31.886 1.00 32.31 ? 110 LEU A C 1 ATOM 843 O O . LEU A 1 110 ? 133.377 21.734 31.088 1.00 31.06 ? 110 LEU A O 1 ATOM 844 C CB . LEU A 1 110 ? 134.965 22.434 33.660 1.00 33.25 ? 110 LEU A CB 1 ATOM 845 C CG . LEU A 1 110 ? 135.809 22.359 34.949 1.00 37.06 ? 110 LEU A CG 1 ATOM 846 C CD1 . LEU A 1 110 ? 137.256 22.111 34.587 1.00 40.51 ? 110 LEU A CD1 1 ATOM 847 C CD2 . LEU A 1 110 ? 135.703 23.631 35.798 1.00 38.67 ? 110 LEU A CD2 1 ATOM 848 N N . ILE A 1 111 ? 133.347 19.650 31.970 1.00 30.78 ? 111 ILE A N 1 ATOM 849 C CA . ILE A 1 111 ? 132.132 19.290 31.250 1.00 28.79 ? 111 ILE A CA 1 ATOM 850 C C . ILE A 1 111 ? 130.938 19.228 32.165 1.00 29.12 ? 111 ILE A C 1 ATOM 851 O O . ILE A 1 111 ? 130.909 18.336 33.041 1.00 28.81 ? 111 ILE A O 1 ATOM 852 C CB . ILE A 1 111 ? 132.273 17.968 30.497 1.00 29.83 ? 111 ILE A CB 1 ATOM 853 C CG1 . ILE A 1 111 ? 133.447 18.053 29.500 1.00 26.66 ? 111 ILE A CG1 1 ATOM 854 C CG2 . ILE A 1 111 ? 130.953 17.680 29.793 1.00 27.79 ? 111 ILE A CG2 1 ATOM 855 C CD1 . ILE A 1 111 ? 133.734 16.711 28.795 1.00 31.78 ? 111 ILE A CD1 1 ATOM 856 N N . TRP A 1 112 ? 129.980 20.170 31.983 1.00 26.99 ? 112 TRP A N 1 ATOM 857 C CA . TRP A 1 112 ? 128.762 20.224 32.815 1.00 27.74 ? 112 TRP A CA 1 ATOM 858 C C . TRP A 1 112 ? 127.623 19.299 32.369 1.00 28.01 ? 112 TRP A C 1 ATOM 859 O O . TRP A 1 112 ? 127.260 19.256 31.165 1.00 27.66 ? 112 TRP A O 1 ATOM 860 C CB . TRP A 1 112 ? 128.201 21.652 32.894 1.00 27.59 ? 112 TRP A CB 1 ATOM 861 C CG . TRP A 1 112 ? 126.960 21.805 33.768 1.00 27.00 ? 112 TRP A CG 1 ATOM 862 C CD1 . TRP A 1 112 ? 125.682 22.027 33.342 1.00 26.81 ? 112 TRP A CD1 1 ATOM 863 C CD2 . TRP A 1 112 ? 126.892 21.714 35.199 1.00 27.71 ? 112 TRP A CD2 1 ATOM 864 N NE1 . TRP A 1 112 ? 124.828 22.131 34.410 1.00 24.69 ? 112 TRP A NE1 1 ATOM 865 C CE2 . TRP A 1 112 ? 125.545 21.939 35.568 1.00 29.00 ? 112 TRP A CE2 1 ATOM 866 C CE3 . TRP A 1 112 ? 127.850 21.511 36.219 1.00 27.32 ? 112 TRP A CE3 1 ATOM 867 C CZ2 . TRP A 1 112 ? 125.121 21.950 36.904 1.00 26.95 ? 112 TRP A CZ2 1 ATOM 868 C CZ3 . TRP A 1 112 ? 127.437 21.507 37.538 1.00 24.55 ? 112 TRP A CZ3 1 ATOM 869 C CH2 . TRP A 1 112 ? 126.080 21.751 37.880 1.00 27.06 ? 112 TRP A CH2 1 ATOM 870 N N . ILE A 1 113 ? 127.061 18.577 33.332 1.00 27.52 ? 113 ILE A N 1 ATOM 871 C CA . ILE A 1 113 ? 125.903 17.714 33.084 1.00 27.74 ? 113 ILE A CA 1 ATOM 872 C C . ILE A 1 113 ? 124.772 18.165 33.986 1.00 28.44 ? 113 ILE A C 1 ATOM 873 O O . ILE A 1 113 ? 124.851 18.042 35.216 1.00 27.92 ? 113 ILE A O 1 ATOM 874 C CB . ILE A 1 113 ? 126.213 16.190 33.279 1.00 28.56 ? 113 ILE A CB 1 ATOM 875 C CG1 . ILE A 1 113 ? 127.450 15.763 32.458 1.00 27.50 ? 113 ILE A CG1 1 ATOM 876 C CG2 . ILE A 1 113 ? 124.948 15.333 32.869 1.00 26.35 ? 113 ILE A CG2 1 ATOM 877 C CD1 . ILE A 1 113 ? 127.804 14.244 32.584 1.00 28.47 ? 113 ILE A CD1 1 ATOM 878 N N . TYR A 1 114 ? 123.700 18.709 33.376 1.00 28.75 ? 114 TYR A N 1 ATOM 879 C CA . TYR A 1 114 ? 122.598 19.291 34.193 1.00 26.65 ? 114 TYR A CA 1 ATOM 880 C C . TYR A 1 114 ? 121.768 18.226 34.884 1.00 26.38 ? 114 TYR A C 1 ATOM 881 O O . TYR A 1 114 ? 121.685 17.081 34.416 1.00 26.90 ? 114 TYR A O 1 ATOM 882 C CB . TYR A 1 114 ? 121.686 20.237 33.371 1.00 26.19 ? 114 TYR A CB 1 ATOM 883 C CG . TYR A 1 114 ? 121.068 19.591 32.132 1.00 26.07 ? 114 TYR A CG 1 ATOM 884 C CD1 . TYR A 1 114 ? 120.017 18.646 32.230 1.00 24.97 ? 114 TYR A CD1 1 ATOM 885 C CD2 . TYR A 1 114 ? 121.502 19.938 30.898 1.00 25.14 ? 114 TYR A CD2 1 ATOM 886 C CE1 . TYR A 1 114 ? 119.470 18.067 31.080 1.00 27.21 ? 114 TYR A CE1 1 ATOM 887 C CE2 . TYR A 1 114 ? 120.979 19.340 29.735 1.00 25.90 ? 114 TYR A CE2 1 ATOM 888 C CZ . TYR A 1 114 ? 119.967 18.448 29.825 1.00 27.55 ? 114 TYR A CZ 1 ATOM 889 O OH . TYR A 1 114 ? 119.519 17.885 28.633 1.00 29.31 ? 114 TYR A OH 1 ATOM 890 N N . GLY A 1 115 ? 121.140 18.609 35.990 1.00 27.39 ? 115 GLY A N 1 ATOM 891 C CA . GLY A 1 115 ? 120.119 17.779 36.634 1.00 27.33 ? 115 GLY A CA 1 ATOM 892 C C . GLY A 1 115 ? 118.681 18.139 36.189 1.00 28.81 ? 115 GLY A C 1 ATOM 893 O O . GLY A 1 115 ? 118.462 18.834 35.187 1.00 28.56 ? 115 GLY A O 1 ATOM 894 N N . GLY A 1 116 ? 117.701 17.601 36.894 1.00 28.49 ? 116 GLY A N 1 ATOM 895 C CA . GLY A 1 116 ? 116.313 17.643 36.419 1.00 30.37 ? 116 GLY A CA 1 ATOM 896 C C . GLY A 1 116 ? 115.618 16.300 36.494 1.00 31.02 ? 116 GLY A C 1 ATOM 897 O O . GLY A 1 116 ? 114.674 16.026 35.735 1.00 30.49 ? 116 GLY A O 1 ATOM 898 N N . GLY A 1 117 ? 116.122 15.416 37.362 1.00 30.38 ? 117 GLY A N 1 ATOM 899 C CA . GLY A 1 117 ? 115.452 14.118 37.568 1.00 30.13 ? 117 GLY A CA 1 ATOM 900 C C . GLY A 1 117 ? 115.486 13.150 36.412 1.00 30.00 ? 117 GLY A C 1 ATOM 901 O O . GLY A 1 117 ? 114.707 12.215 36.397 1.00 31.13 ? 117 GLY A O 1 ATOM 902 N N . PHE A 1 118 ? 116.374 13.377 35.455 1.00 29.62 ? 118 PHE A N 1 ATOM 903 C CA . PHE A 1 118 ? 116.391 12.664 34.159 1.00 30.99 ? 118 PHE A CA 1 ATOM 904 C C . PHE A 1 118 ? 115.105 12.900 33.336 1.00 30.71 ? 118 PHE A C 1 ATOM 905 O O . PHE A 1 118 ? 114.866 12.172 32.378 1.00 30.53 ? 118 PHE A O 1 ATOM 906 C CB . PHE A 1 118 ? 116.651 11.133 34.298 1.00 30.68 ? 118 PHE A CB 1 ATOM 907 C CG . PHE A 1 118 ? 117.955 10.784 35.008 1.00 29.83 ? 118 PHE A CG 1 ATOM 908 C CD1 . PHE A 1 118 ? 119.180 10.868 34.321 1.00 28.37 ? 118 PHE A CD1 1 ATOM 909 C CD2 . PHE A 1 118 ? 117.943 10.407 36.366 1.00 30.09 ? 118 PHE A CD2 1 ATOM 910 C CE1 . PHE A 1 118 ? 120.378 10.528 34.956 1.00 30.06 ? 118 PHE A CE1 1 ATOM 911 C CE2 . PHE A 1 118 ? 119.156 10.042 37.017 1.00 25.94 ? 118 PHE A CE2 1 ATOM 912 C CZ . PHE A 1 118 ? 120.358 10.130 36.308 1.00 26.15 ? 118 PHE A CZ 1 ATOM 913 N N . GLN A 1 119 ? 114.281 13.876 33.722 1.00 30.80 ? 119 GLN A N 1 ATOM 914 C CA . GLN A 1 119 ? 112.974 14.097 33.051 1.00 30.76 ? 119 GLN A CA 1 ATOM 915 C C . GLN A 1 119 ? 112.970 15.484 32.387 1.00 31.64 ? 119 GLN A C 1 ATOM 916 O O . GLN A 1 119 ? 112.188 15.748 31.451 1.00 31.48 ? 119 GLN A O 1 ATOM 917 C CB . GLN A 1 119 ? 111.776 14.050 34.035 1.00 30.98 ? 119 GLN A CB 1 ATOM 918 C CG . GLN A 1 119 ? 111.657 12.850 35.024 1.00 32.48 ? 119 GLN A CG 1 ATOM 919 C CD . GLN A 1 119 ? 111.948 11.508 34.343 1.00 35.77 ? 119 GLN A CD 1 ATOM 920 O OE1 . GLN A 1 119 ? 112.948 10.840 34.644 1.00 36.09 ? 119 GLN A OE1 1 ATOM 921 N NE2 . GLN A 1 119 ? 111.122 11.147 33.388 1.00 30.38 ? 119 GLN A NE2 1 ATOM 922 N N . THR A 1 120 ? 113.785 16.369 32.934 1.00 29.79 ? 120 THR A N 1 ATOM 923 C CA . THR A 1 120 ? 113.867 17.758 32.518 1.00 31.68 ? 120 THR A CA 1 ATOM 924 C C . THR A 1 120 ? 115.305 18.291 32.532 1.00 30.43 ? 120 THR A C 1 ATOM 925 O O . THR A 1 120 ? 116.236 17.612 33.006 1.00 30.14 ? 120 THR A O 1 ATOM 926 C CB . THR A 1 120 ? 113.037 18.685 33.456 1.00 31.20 ? 120 THR A CB 1 ATOM 927 O OG1 . THR A 1 120 ? 113.602 18.668 34.786 1.00 32.65 ? 120 THR A OG1 1 ATOM 928 C CG2 . THR A 1 120 ? 111.533 18.228 33.650 1.00 33.12 ? 120 THR A CG2 1 ATOM 929 N N . GLY A 1 121 ? 115.459 19.528 32.068 1.00 28.77 ? 121 GLY A N 1 ATOM 930 C CA . GLY A 1 121 ? 116.698 20.223 32.146 1.00 28.11 ? 121 GLY A CA 1 ATOM 931 C C . GLY A 1 121 ? 117.225 20.681 30.805 1.00 27.62 ? 121 GLY A C 1 ATOM 932 O O . GLY A 1 121 ? 116.832 20.174 29.748 1.00 28.13 ? 121 GLY A O 1 ATOM 933 N N . THR A 1 122 ? 118.145 21.627 30.845 1.00 26.79 ? 122 THR A N 1 ATOM 934 C CA . THR A 1 122 ? 118.815 21.999 29.596 1.00 28.03 ? 122 THR A CA 1 ATOM 935 C C . THR A 1 122 ? 120.117 22.716 29.936 1.00 28.48 ? 122 THR A C 1 ATOM 936 O O . THR A 1 122 ? 120.239 23.327 31.004 1.00 27.68 ? 122 THR A O 1 ATOM 937 C CB . THR A 1 122 ? 117.857 22.899 28.738 1.00 28.35 ? 122 THR A CB 1 ATOM 938 O OG1 . THR A 1 122 ? 118.502 23.331 27.537 1.00 32.47 ? 122 THR A OG1 1 ATOM 939 C CG2 . THR A 1 122 ? 117.507 24.219 29.486 1.00 28.80 ? 122 THR A CG2 1 ATOM 940 N N . SER A 1 123 ? 121.069 22.697 29.012 1.00 29.85 ? 123 SER A N 1 ATOM 941 C CA . SER A 1 123 ? 122.335 23.357 29.276 1.00 31.41 ? 123 SER A CA 1 ATOM 942 C C . SER A 1 123 ? 122.341 24.887 29.138 1.00 32.84 ? 123 SER A C 1 ATOM 943 O O . SER A 1 123 ? 123.330 25.547 29.504 1.00 31.62 ? 123 SER A O 1 ATOM 944 C CB . SER A 1 123 ? 123.439 22.701 28.461 1.00 31.65 ? 123 SER A CB 1 ATOM 945 O OG . SER A 1 123 ? 123.143 22.790 27.109 1.00 34.12 ? 123 SER A OG 1 ATOM 946 N N . SER A 1 124 ? 121.202 25.469 28.729 1.00 33.43 ? 124 SER A N 1 ATOM 947 C CA . SER A 1 124 ? 121.172 26.899 28.395 1.00 33.99 ? 124 SER A CA 1 ATOM 948 C C . SER A 1 124 ? 120.692 27.779 29.527 1.00 34.25 ? 124 SER A C 1 ATOM 949 O O . SER A 1 124 ? 120.644 28.992 29.385 1.00 34.57 ? 124 SER A O 1 ATOM 950 C CB . SER A 1 124 ? 120.328 27.184 27.124 1.00 34.29 ? 124 SER A CB 1 ATOM 951 O OG . SER A 1 124 ? 119.071 26.566 27.167 1.00 34.38 ? 124 SER A OG 1 ATOM 952 N N . LEU A 1 125 ? 120.353 27.188 30.662 1.00 32.92 ? 125 LEU A N 1 ATOM 953 C CA . LEU A 1 125 ? 120.044 27.961 31.820 1.00 31.44 ? 125 LEU A CA 1 ATOM 954 C C . LEU A 1 125 ? 121.147 28.934 32.144 1.00 32.56 ? 125 LEU A C 1 ATOM 955 O O . LEU A 1 125 ? 122.360 28.693 31.943 1.00 32.90 ? 125 LEU A O 1 ATOM 956 C CB . LEU A 1 125 ? 119.659 27.080 33.047 1.00 31.13 ? 125 LEU A CB 1 ATOM 957 C CG . LEU A 1 125 ? 118.568 26.031 32.910 1.00 29.85 ? 125 LEU A CG 1 ATOM 958 C CD1 . LEU A 1 125 ? 118.176 25.473 34.360 1.00 25.76 ? 125 LEU A CD1 1 ATOM 959 C CD2 . LEU A 1 125 ? 117.360 26.657 32.155 1.00 31.37 ? 125 LEU A CD2 1 ATOM 960 N N . HIS A 1 126 ? 120.688 30.090 32.597 1.00 33.15 ? 126 HIS A N 1 ATOM 961 C CA . HIS A 1 126 ? 121.523 31.196 33.051 1.00 33.30 ? 126 HIS A CA 1 ATOM 962 C C . HIS A 1 126 ? 122.538 30.759 34.165 1.00 32.84 ? 126 HIS A C 1 ATOM 963 O O . HIS A 1 126 ? 123.693 31.230 34.208 1.00 31.74 ? 126 HIS A O 1 ATOM 964 C CB . HIS A 1 126 ? 120.544 32.305 33.557 1.00 34.18 ? 126 HIS A CB 1 ATOM 965 C CG . HIS A 1 126 ? 121.212 33.480 34.168 1.00 39.65 ? 126 HIS A CG 1 ATOM 966 N ND1 . HIS A 1 126 ? 122.064 34.299 33.453 1.00 47.26 ? 126 HIS A ND1 1 ATOM 967 C CD2 . HIS A 1 126 ? 121.158 33.988 35.423 1.00 41.47 ? 126 HIS A CD2 1 ATOM 968 C CE1 . HIS A 1 126 ? 122.515 35.259 34.251 1.00 48.81 ? 126 HIS A CE1 1 ATOM 969 N NE2 . HIS A 1 126 ? 121.966 35.103 35.443 1.00 46.59 ? 126 HIS A NE2 1 ATOM 970 N N . VAL A 1 127 ? 122.111 29.890 35.077 1.00 31.00 ? 127 VAL A N 1 ATOM 971 C CA . VAL A 1 127 ? 122.973 29.451 36.195 1.00 30.54 ? 127 VAL A CA 1 ATOM 972 C C . VAL A 1 127 ? 124.036 28.428 35.778 1.00 30.81 ? 127 VAL A C 1 ATOM 973 O O . VAL A 1 127 ? 124.907 28.059 36.579 1.00 31.16 ? 127 VAL A O 1 ATOM 974 C CB . VAL A 1 127 ? 122.101 28.932 37.414 1.00 31.19 ? 127 VAL A CB 1 ATOM 975 C CG1 . VAL A 1 127 ? 121.363 30.159 38.065 1.00 31.47 ? 127 VAL A CG1 1 ATOM 976 C CG2 . VAL A 1 127 ? 121.158 27.779 36.962 1.00 30.56 ? 127 VAL A CG2 1 ATOM 977 N N . TYR A 1 128 ? 123.967 27.984 34.519 1.00 29.99 ? 128 TYR A N 1 ATOM 978 C CA . TYR A 1 128 ? 124.971 27.091 33.914 1.00 30.13 ? 128 TYR A CA 1 ATOM 979 C C . TYR A 1 128 ? 125.880 27.800 32.871 1.00 30.39 ? 128 TYR A C 1 ATOM 980 O O . TYR A 1 128 ? 126.567 27.157 32.076 1.00 29.76 ? 128 TYR A O 1 ATOM 981 C CB . TYR A 1 128 ? 124.309 25.895 33.224 1.00 28.88 ? 128 TYR A CB 1 ATOM 982 C CG . TYR A 1 128 ? 123.290 25.107 34.022 1.00 26.82 ? 128 TYR A CG 1 ATOM 983 C CD1 . TYR A 1 128 ? 123.357 24.995 35.419 1.00 25.22 ? 128 TYR A CD1 1 ATOM 984 C CD2 . TYR A 1 128 ? 122.268 24.427 33.353 1.00 26.66 ? 128 TYR A CD2 1 ATOM 985 C CE1 . TYR A 1 128 ? 122.377 24.261 36.136 1.00 25.62 ? 128 TYR A CE1 1 ATOM 986 C CE2 . TYR A 1 128 ? 121.349 23.676 34.026 1.00 25.01 ? 128 TYR A CE2 1 ATOM 987 C CZ . TYR A 1 128 ? 121.408 23.596 35.411 1.00 24.56 ? 128 TYR A CZ 1 ATOM 988 O OH . TYR A 1 128 ? 120.470 22.867 36.063 1.00 25.36 ? 128 TYR A OH 1 ATOM 989 N N . ASP A 1 129 ? 125.860 29.120 32.870 1.00 32.09 ? 129 ASP A N 1 ATOM 990 C CA . ASP A 1 129 ? 126.631 29.905 31.882 1.00 32.73 ? 129 ASP A CA 1 ATOM 991 C C . ASP A 1 129 ? 128.126 29.806 32.159 1.00 32.40 ? 129 ASP A C 1 ATOM 992 O O . ASP A 1 129 ? 128.606 30.339 33.145 1.00 32.88 ? 129 ASP A O 1 ATOM 993 C CB . ASP A 1 129 ? 126.258 31.360 32.019 1.00 33.92 ? 129 ASP A CB 1 ATOM 994 C CG . ASP A 1 129 ? 126.706 32.186 30.811 1.00 36.50 ? 129 ASP A CG 1 ATOM 995 O OD1 . ASP A 1 129 ? 127.669 31.779 30.094 1.00 34.96 ? 129 ASP A OD1 1 ATOM 996 O OD2 . ASP A 1 129 ? 126.123 33.241 30.525 1.00 39.78 ? 129 ASP A OD2 1 ATOM 997 N N . GLY A 1 130 ? 128.856 29.107 31.301 1.00 32.41 ? 130 GLY A N 1 ATOM 998 C CA . GLY A 1 130 ? 130.268 28.828 31.541 1.00 32.19 ? 130 GLY A CA 1 ATOM 999 C C . GLY A 1 130 ? 131.238 29.973 31.311 1.00 33.59 ? 130 GLY A C 1 ATOM 1000 O O . GLY A 1 130 ? 132.425 29.759 31.445 1.00 32.17 ? 130 GLY A O 1 ATOM 1001 N N . LYS A 1 131 ? 130.747 31.183 30.964 1.00 34.03 ? 131 LYS A N 1 ATOM 1002 C CA . LYS A 1 131 ? 131.651 32.298 30.589 1.00 35.67 ? 131 LYS A CA 1 ATOM 1003 C C . LYS A 1 131 ? 132.481 32.849 31.757 1.00 36.87 ? 131 LYS A C 1 ATOM 1004 O O . LYS A 1 131 ? 133.636 33.235 31.564 1.00 38.32 ? 131 LYS A O 1 ATOM 1005 C CB . LYS A 1 131 ? 130.893 33.430 29.837 1.00 35.39 ? 131 LYS A CB 1 ATOM 1006 C CG . LYS A 1 131 ? 130.108 34.333 30.728 1.00 34.51 ? 131 LYS A CG 1 ATOM 1007 C CD . LYS A 1 131 ? 129.099 35.133 29.943 1.00 42.80 ? 131 LYS A CD 1 ATOM 1008 C CE . LYS A 1 131 ? 128.377 36.147 30.835 1.00 43.00 ? 131 LYS A CE 1 ATOM 1009 N NZ . LYS A 1 131 ? 127.513 36.997 29.955 1.00 49.01 ? 131 LYS A NZ 1 ATOM 1010 N N . PHE A 1 132 ? 131.915 32.877 32.968 1.00 38.06 ? 132 PHE A N 1 ATOM 1011 C CA . PHE A 1 132 ? 132.664 33.339 34.136 1.00 37.40 ? 132 PHE A CA 1 ATOM 1012 C C . PHE A 1 132 ? 133.844 32.431 34.467 1.00 37.91 ? 132 PHE A C 1 ATOM 1013 O O . PHE A 1 132 ? 134.937 32.923 34.736 1.00 38.41 ? 132 PHE A O 1 ATOM 1014 C CB . PHE A 1 132 ? 131.732 33.521 35.341 1.00 38.04 ? 132 PHE A CB 1 ATOM 1015 C CG . PHE A 1 132 ? 130.522 34.350 35.041 1.00 39.92 ? 132 PHE A CG 1 ATOM 1016 C CD1 . PHE A 1 132 ? 130.644 35.719 34.769 1.00 39.86 ? 132 PHE A CD1 1 ATOM 1017 C CD2 . PHE A 1 132 ? 129.261 33.770 34.995 1.00 40.81 ? 132 PHE A CD2 1 ATOM 1018 C CE1 . PHE A 1 132 ? 129.515 36.502 34.465 1.00 41.47 ? 132 PHE A CE1 1 ATOM 1019 C CE2 . PHE A 1 132 ? 128.124 34.540 34.683 1.00 44.18 ? 132 PHE A CE2 1 ATOM 1020 C CZ . PHE A 1 132 ? 128.257 35.920 34.429 1.00 44.59 ? 132 PHE A CZ 1 ATOM 1021 N N . LEU A 1 133 ? 133.635 31.106 34.449 1.00 36.63 ? 133 LEU A N 1 ATOM 1022 C CA . LEU A 1 133 ? 134.693 30.149 34.721 1.00 36.08 ? 133 LEU A CA 1 ATOM 1023 C C . LEU A 1 133 ? 135.838 30.262 33.693 1.00 36.39 ? 133 LEU A C 1 ATOM 1024 O O . LEU A 1 133 ? 137.040 30.278 34.055 1.00 34.90 ? 133 LEU A O 1 ATOM 1025 C CB . LEU A 1 133 ? 134.155 28.721 34.740 1.00 35.91 ? 133 LEU A CB 1 ATOM 1026 C CG . LEU A 1 133 ? 133.390 28.268 36.015 1.00 36.29 ? 133 LEU A CG 1 ATOM 1027 C CD1 . LEU A 1 133 ? 132.527 27.011 35.709 1.00 32.64 ? 133 LEU A CD1 1 ATOM 1028 C CD2 . LEU A 1 133 ? 134.384 28.017 37.147 1.00 33.99 ? 133 LEU A CD2 1 ATOM 1029 N N . ALA A 1 134 ? 135.450 30.369 32.431 1.00 35.87 ? 134 ALA A N 1 ATOM 1030 C CA . ALA A 1 134 ? 136.392 30.467 31.336 1.00 38.31 ? 134 ALA A CA 1 ATOM 1031 C C . ALA A 1 134 ? 137.238 31.763 31.551 1.00 39.69 ? 134 ALA A C 1 ATOM 1032 O O . ALA A 1 134 ? 138.496 31.713 31.618 1.00 40.48 ? 134 ALA A O 1 ATOM 1033 C CB . ALA A 1 134 ? 135.618 30.458 29.954 1.00 36.73 ? 134 ALA A CB 1 ATOM 1034 N N . ARG A 1 135 ? 136.545 32.879 31.778 1.00 39.44 ? 135 ARG A N 1 ATOM 1035 C CA . ARG A 1 135 ? 137.202 34.162 32.052 1.00 40.15 ? 135 ARG A CA 1 ATOM 1036 C C . ARG A 1 135 ? 138.168 34.140 33.259 1.00 41.25 ? 135 ARG A C 1 ATOM 1037 O O . ARG A 1 135 ? 139.330 34.579 33.168 1.00 42.36 ? 135 ARG A O 1 ATOM 1038 C CB . ARG A 1 135 ? 136.142 35.240 32.299 1.00 39.45 ? 135 ARG A CB 1 ATOM 1039 C CG . ARG A 1 135 ? 136.667 36.657 32.585 1.00 41.55 ? 135 ARG A CG 1 ATOM 1040 C CD . ARG A 1 135 ? 137.553 37.264 31.459 1.00 45.86 ? 135 ARG A CD 1 ATOM 1041 N NE . ARG A 1 135 ? 137.978 38.606 31.842 1.00 52.00 ? 135 ARG A NE 1 ATOM 1042 C CZ . ARG A 1 135 ? 139.101 38.890 32.497 1.00 56.73 ? 135 ARG A CZ 1 ATOM 1043 N NH1 . ARG A 1 135 ? 139.956 37.922 32.817 1.00 58.02 ? 135 ARG A NH1 1 ATOM 1044 N NH2 . ARG A 1 135 ? 139.386 40.158 32.826 1.00 58.21 ? 135 ARG A NH2 1 ATOM 1045 N N . VAL A 1 136 ? 137.649 33.711 34.408 1.00 39.84 ? 136 VAL A N 1 ATOM 1046 C CA . VAL A 1 136 ? 138.313 33.874 35.651 1.00 38.46 ? 136 VAL A CA 1 ATOM 1047 C C . VAL A 1 136 ? 139.377 32.788 35.889 1.00 38.13 ? 136 VAL A C 1 ATOM 1048 O O . VAL A 1 136 ? 140.422 33.052 36.455 1.00 36.70 ? 136 VAL A O 1 ATOM 1049 C CB . VAL A 1 136 ? 137.243 33.889 36.775 1.00 39.56 ? 136 VAL A CB 1 ATOM 1050 C CG1 . VAL A 1 136 ? 137.871 33.814 38.148 1.00 37.43 ? 136 VAL A CG1 1 ATOM 1051 C CG2 . VAL A 1 136 ? 136.379 35.170 36.648 1.00 38.98 ? 136 VAL A CG2 1 ATOM 1052 N N . GLU A 1 137 ? 139.108 31.551 35.467 1.00 37.71 ? 137 GLU A N 1 ATOM 1053 C CA . GLU A 1 137 ? 140.028 30.463 35.722 1.00 36.92 ? 137 GLU A CA 1 ATOM 1054 C C . GLU A 1 137 ? 140.731 29.963 34.492 1.00 36.75 ? 137 GLU A C 1 ATOM 1055 O O . GLU A 1 137 ? 141.562 29.038 34.584 1.00 35.73 ? 137 GLU A O 1 ATOM 1056 C CB . GLU A 1 137 ? 139.308 29.279 36.408 1.00 36.10 ? 137 GLU A CB 1 ATOM 1057 C CG . GLU A 1 137 ? 138.916 29.597 37.819 1.00 34.65 ? 137 GLU A CG 1 ATOM 1058 C CD . GLU A 1 137 ? 140.091 29.838 38.778 1.00 37.51 ? 137 GLU A CD 1 ATOM 1059 O OE1 . GLU A 1 137 ? 141.177 29.259 38.599 1.00 37.31 ? 137 GLU A OE1 1 ATOM 1060 O OE2 . GLU A 1 137 ? 139.917 30.637 39.741 1.00 35.54 ? 137 GLU A OE2 1 ATOM 1061 N N . ARG A 1 138 ? 140.379 30.509 33.333 1.00 36.73 ? 138 ARG A N 1 ATOM 1062 C CA . ARG A 1 138 ? 141.057 30.108 32.085 1.00 37.42 ? 138 ARG A CA 1 ATOM 1063 C C . ARG A 1 138 ? 140.961 28.586 31.853 1.00 36.23 ? 138 ARG A C 1 ATOM 1064 O O . ARG A 1 138 ? 141.878 27.946 31.300 1.00 37.74 ? 138 ARG A O 1 ATOM 1065 C CB . ARG A 1 138 ? 142.550 30.571 32.095 1.00 37.61 ? 138 ARG A CB 1 ATOM 1066 C CG . ARG A 1 138 ? 142.874 32.069 31.634 1.00 41.61 ? 138 ARG A CG 1 ATOM 1067 C CD A ARG A 1 138 ? 144.378 32.439 31.724 0.50 40.94 ? 138 ARG A CD 1 ATOM 1068 C CD B ARG A 1 138 ? 142.415 33.204 32.505 0.50 42.55 ? 138 ARG A CD 1 ATOM 1069 N NE A ARG A 1 138 ? 145.153 31.548 30.866 0.50 43.47 ? 138 ARG A NE 1 ATOM 1070 N NE B ARG A 1 138 ? 141.194 33.813 31.971 0.50 46.19 ? 138 ARG A NE 1 ATOM 1071 C CZ A ARG A 1 138 ? 145.059 31.539 29.540 0.50 43.75 ? 138 ARG A CZ 1 ATOM 1072 C CZ B ARG A 1 138 ? 141.151 34.748 31.018 0.50 43.85 ? 138 ARG A CZ 1 ATOM 1073 N NH1 A ARG A 1 138 ? 145.756 30.682 28.803 0.50 42.85 ? 138 ARG A NH1 1 ATOM 1074 N NH1 B ARG A 1 138 ? 142.268 35.195 30.457 0.50 45.31 ? 138 ARG A NH1 1 ATOM 1075 N NH2 A ARG A 1 138 ? 144.249 32.395 28.943 0.50 44.19 ? 138 ARG A NH2 1 ATOM 1076 N NH2 B ARG A 1 138 ? 139.990 35.220 30.620 0.50 39.64 ? 138 ARG A NH2 1 ATOM 1077 N N . VAL A 1 139 ? 139.839 28.001 32.253 1.00 35.29 ? 139 VAL A N 1 ATOM 1078 C CA . VAL A 1 139 ? 139.500 26.643 31.848 1.00 33.68 ? 139 VAL A CA 1 ATOM 1079 C C . VAL A 1 139 ? 138.567 26.748 30.659 1.00 34.07 ? 139 VAL A C 1 ATOM 1080 O O . VAL A 1 139 ? 138.004 27.792 30.447 1.00 33.90 ? 139 VAL A O 1 ATOM 1081 C CB . VAL A 1 139 ? 138.807 25.866 33.031 1.00 34.51 ? 139 VAL A CB 1 ATOM 1082 C CG1 . VAL A 1 139 ? 139.829 25.599 34.135 1.00 31.71 ? 139 VAL A CG1 1 ATOM 1083 C CG2 . VAL A 1 139 ? 137.647 26.645 33.595 1.00 31.31 ? 139 VAL A CG2 1 ATOM 1084 N N . ILE A 1 140 ? 138.416 25.672 29.881 1.00 33.79 ? 140 ILE A N 1 ATOM 1085 C CA . ILE A 1 140 ? 137.335 25.570 28.908 1.00 33.11 ? 140 ILE A CA 1 ATOM 1086 C C . ILE A 1 140 ? 136.139 24.871 29.605 1.00 33.56 ? 140 ILE A C 1 ATOM 1087 O O . ILE A 1 140 ? 136.328 23.906 30.387 1.00 32.17 ? 140 ILE A O 1 ATOM 1088 C CB . ILE A 1 140 ? 137.876 24.763 27.706 1.00 32.83 ? 140 ILE A CB 1 ATOM 1089 C CG1 . ILE A 1 140 ? 138.884 25.657 26.939 1.00 33.74 ? 140 ILE A CG1 1 ATOM 1090 C CG2 . ILE A 1 140 ? 136.787 24.185 26.875 1.00 32.95 ? 140 ILE A CG2 1 ATOM 1091 C CD1 . ILE A 1 140 ? 139.579 24.934 25.757 1.00 33.62 ? 140 ILE A CD1 1 ATOM 1092 N N . VAL A 1 141 ? 134.935 25.406 29.385 1.00 31.82 ? 141 VAL A N 1 ATOM 1093 C CA . VAL A 1 141 ? 133.697 24.789 29.860 1.00 31.25 ? 141 VAL A CA 1 ATOM 1094 C C . VAL A 1 141 ? 132.902 24.257 28.664 1.00 31.71 ? 141 VAL A C 1 ATOM 1095 O O . VAL A 1 141 ? 132.685 24.982 27.648 1.00 31.87 ? 141 VAL A O 1 ATOM 1096 C CB . VAL A 1 141 ? 132.847 25.815 30.645 1.00 29.91 ? 141 VAL A CB 1 ATOM 1097 C CG1 . VAL A 1 141 ? 131.561 25.186 31.198 1.00 30.29 ? 141 VAL A CG1 1 ATOM 1098 C CG2 . VAL A 1 141 ? 133.657 26.421 31.766 1.00 29.62 ? 141 VAL A CG2 1 ATOM 1099 N N . VAL A 1 142 ? 132.451 23.020 28.785 1.00 30.46 ? 142 VAL A N 1 ATOM 1100 C CA . VAL A 1 142 ? 131.587 22.386 27.795 1.00 30.82 ? 142 VAL A CA 1 ATOM 1101 C C . VAL A 1 142 ? 130.316 21.977 28.526 1.00 31.95 ? 142 VAL A C 1 ATOM 1102 O O . VAL A 1 142 ? 130.367 21.544 29.711 1.00 29.99 ? 142 VAL A O 1 ATOM 1103 C CB . VAL A 1 142 ? 132.280 21.161 27.140 1.00 30.95 ? 142 VAL A CB 1 ATOM 1104 C CG1 . VAL A 1 142 ? 131.346 20.370 26.195 1.00 31.02 ? 142 VAL A CG1 1 ATOM 1105 C CG2 . VAL A 1 142 ? 133.608 21.611 26.435 1.00 29.83 ? 142 VAL A CG2 1 ATOM 1106 N N . SER A 1 143 ? 129.179 22.150 27.843 1.00 32.03 ? 143 SER A N 1 ATOM 1107 C CA . SER A 1 143 ? 127.922 21.599 28.345 1.00 31.71 ? 143 SER A CA 1 ATOM 1108 C C . SER A 1 143 ? 127.124 21.003 27.179 1.00 31.88 ? 143 SER A C 1 ATOM 1109 O O . SER A 1 143 ? 127.308 21.419 26.057 1.00 30.84 ? 143 SER A O 1 ATOM 1110 C CB . SER A 1 143 ? 127.165 22.641 29.168 1.00 30.98 ? 143 SER A CB 1 ATOM 1111 O OG . SER A 1 143 ? 126.646 23.705 28.371 1.00 33.79 ? 143 SER A OG 1 ATOM 1112 N N . MET A 1 144 ? 126.316 19.966 27.436 1.00 31.06 ? 144 MET A N 1 ATOM 1113 C CA . MET A 1 144 ? 125.527 19.329 26.378 1.00 31.38 ? 144 MET A CA 1 ATOM 1114 C C . MET A 1 144 ? 124.070 19.209 26.821 1.00 31.51 ? 144 MET A C 1 ATOM 1115 O O . MET A 1 144 ? 123.770 19.065 28.034 1.00 31.49 ? 144 MET A O 1 ATOM 1116 C CB . MET A 1 144 ? 126.082 17.928 25.983 1.00 29.23 ? 144 MET A CB 1 ATOM 1117 C CG . MET A 1 144 ? 125.599 16.712 26.841 1.00 29.92 ? 144 MET A CG 1 ATOM 1118 S SD . MET A 1 144 ? 126.147 16.809 28.566 1.00 31.60 ? 144 MET A SD 1 ATOM 1119 C CE . MET A 1 144 ? 127.907 16.394 28.393 1.00 26.56 ? 144 MET A CE 1 ATOM 1120 N N . ASN A 1 145 ? 123.178 19.214 25.824 1.00 31.26 ? 145 ASN A N 1 ATOM 1121 C CA . ASN A 1 145 ? 121.835 18.704 26.025 1.00 31.24 ? 145 ASN A CA 1 ATOM 1122 C C . ASN A 1 145 ? 121.796 17.223 25.701 1.00 30.67 ? 145 ASN A C 1 ATOM 1123 O O . ASN A 1 145 ? 122.403 16.753 24.710 1.00 30.20 ? 145 ASN A O 1 ATOM 1124 C CB . ASN A 1 145 ? 120.783 19.438 25.141 1.00 31.71 ? 145 ASN A CB 1 ATOM 1125 C CG . ASN A 1 145 ? 120.674 20.883 25.463 1.00 31.15 ? 145 ASN A CG 1 ATOM 1126 O OD1 . ASN A 1 145 ? 121.106 21.313 26.514 1.00 31.66 ? 145 ASN A OD1 1 ATOM 1127 N ND2 . ASN A 1 145 ? 120.050 21.665 24.567 1.00 33.06 ? 145 ASN A ND2 1 ATOM 1128 N N . TYR A 1 146 ? 121.094 16.496 26.568 1.00 31.23 ? 146 TYR A N 1 ATOM 1129 C CA . TYR A 1 146 ? 120.877 15.069 26.405 1.00 30.70 ? 146 TYR A CA 1 ATOM 1130 C C . TYR A 1 146 ? 119.367 14.797 26.582 1.00 30.80 ? 146 TYR A C 1 ATOM 1131 O O . TYR A 1 146 ? 118.717 15.524 27.276 1.00 29.42 ? 146 TYR A O 1 ATOM 1132 C CB . TYR A 1 146 ? 121.719 14.260 27.435 1.00 30.50 ? 146 TYR A CB 1 ATOM 1133 C CG . TYR A 1 146 ? 121.396 14.556 28.906 1.00 27.22 ? 146 TYR A CG 1 ATOM 1134 C CD1 . TYR A 1 146 ? 120.477 13.789 29.608 1.00 26.55 ? 146 TYR A CD1 1 ATOM 1135 C CD2 . TYR A 1 146 ? 122.059 15.582 29.591 1.00 27.55 ? 146 TYR A CD2 1 ATOM 1136 C CE1 . TYR A 1 146 ? 120.177 14.058 30.954 1.00 28.19 ? 146 TYR A CE1 1 ATOM 1137 C CE2 . TYR A 1 146 ? 121.792 15.843 30.941 1.00 25.94 ? 146 TYR A CE2 1 ATOM 1138 C CZ . TYR A 1 146 ? 120.840 15.058 31.617 1.00 26.21 ? 146 TYR A CZ 1 ATOM 1139 O OH . TYR A 1 146 ? 120.530 15.241 32.968 1.00 28.10 ? 146 TYR A OH 1 ATOM 1140 N N . ARG A 1 147 ? 118.841 13.743 25.952 1.00 31.12 ? 147 ARG A N 1 ATOM 1141 C CA . ARG A 1 147 ? 117.424 13.436 26.011 1.00 31.63 ? 147 ARG A CA 1 ATOM 1142 C C . ARG A 1 147 ? 117.031 13.008 27.400 1.00 32.48 ? 147 ARG A C 1 ATOM 1143 O O . ARG A 1 147 ? 117.814 12.332 28.111 1.00 31.73 ? 147 ARG A O 1 ATOM 1144 C CB . ARG A 1 147 ? 117.070 12.317 25.029 1.00 30.63 ? 147 ARG A CB 1 ATOM 1145 C CG . ARG A 1 147 ? 117.193 12.730 23.554 1.00 32.64 ? 147 ARG A CG 1 ATOM 1146 C CD . ARG A 1 147 ? 117.086 11.520 22.634 1.00 32.01 ? 147 ARG A CD 1 ATOM 1147 N NE . ARG A 1 147 ? 118.348 10.824 22.490 1.00 31.97 ? 147 ARG A NE 1 ATOM 1148 C CZ . ARG A 1 147 ? 118.516 9.672 21.827 1.00 34.65 ? 147 ARG A CZ 1 ATOM 1149 N NH1 . ARG A 1 147 ? 117.462 9.027 21.288 1.00 33.20 ? 147 ARG A NH1 1 ATOM 1150 N NH2 . ARG A 1 147 ? 119.747 9.145 21.719 1.00 30.23 ? 147 ARG A NH2 1 ATOM 1151 N N . VAL A 1 148 ? 115.808 13.381 27.761 1.00 31.16 ? 148 VAL A N 1 ATOM 1152 C CA . VAL A 1 148 ? 115.272 13.190 29.101 1.00 31.63 ? 148 VAL A CA 1 ATOM 1153 C C . VAL A 1 148 ? 113.857 12.586 28.951 1.00 32.67 ? 148 VAL A C 1 ATOM 1154 O O . VAL A 1 148 ? 113.298 12.528 27.832 1.00 32.07 ? 148 VAL A O 1 ATOM 1155 C CB . VAL A 1 148 ? 115.276 14.535 29.896 1.00 32.90 ? 148 VAL A CB 1 ATOM 1156 C CG1 . VAL A 1 148 ? 116.703 14.981 30.234 1.00 28.91 ? 148 VAL A CG1 1 ATOM 1157 C CG2 . VAL A 1 148 ? 114.511 15.699 29.101 1.00 28.85 ? 148 VAL A CG2 1 ATOM 1158 N N . GLY A 1 149 ? 113.308 12.099 30.050 1.00 31.70 ? 149 GLY A N 1 ATOM 1159 C CA . GLY A 1 149 ? 112.016 11.432 30.025 1.00 32.15 ? 149 GLY A CA 1 ATOM 1160 C C . GLY A 1 149 ? 112.061 10.145 29.254 1.00 32.78 ? 149 GLY A C 1 ATOM 1161 O O . GLY A 1 149 ? 113.149 9.546 29.087 1.00 30.82 ? 149 GLY A O 1 ATOM 1162 N N . ALA A 1 150 ? 110.891 9.722 28.748 1.00 32.11 ? 150 ALA A N 1 ATOM 1163 C CA . ALA A 1 150 ? 110.802 8.475 28.000 1.00 32.39 ? 150 ALA A CA 1 ATOM 1164 C C . ALA A 1 150 ? 111.601 8.560 26.756 1.00 33.40 ? 150 ALA A C 1 ATOM 1165 O O . ALA A 1 150 ? 112.116 7.552 26.291 1.00 34.97 ? 150 ALA A O 1 ATOM 1166 C CB . ALA A 1 150 ? 109.305 8.090 27.646 1.00 33.31 ? 150 ALA A CB 1 ATOM 1167 N N . LEU A 1 151 ? 111.707 9.747 26.167 1.00 33.20 ? 151 LEU A N 1 ATOM 1168 C CA . LEU A 1 151 ? 112.488 9.844 24.960 1.00 33.79 ? 151 LEU A CA 1 ATOM 1169 C C . LEU A 1 151 ? 113.997 9.628 25.207 1.00 35.46 ? 151 LEU A C 1 ATOM 1170 O O . LEU A 1 151 ? 114.751 9.273 24.277 1.00 34.97 ? 151 LEU A O 1 ATOM 1171 C CB . LEU A 1 151 ? 112.266 11.200 24.291 1.00 34.03 ? 151 LEU A CB 1 ATOM 1172 C CG . LEU A 1 151 ? 110.872 11.507 23.700 1.00 33.72 ? 151 LEU A CG 1 ATOM 1173 C CD1 . LEU A 1 151 ? 110.715 12.999 23.426 1.00 31.67 ? 151 LEU A CD1 1 ATOM 1174 C CD2 . LEU A 1 151 ? 110.609 10.638 22.396 1.00 28.71 ? 151 LEU A CD2 1 ATOM 1175 N N . GLY A 1 152 ? 114.445 9.889 26.446 1.00 35.53 ? 152 GLY A N 1 ATOM 1176 C CA . GLY A 1 152 ? 115.843 9.621 26.798 1.00 34.54 ? 152 GLY A CA 1 ATOM 1177 C C . GLY A 1 152 ? 116.052 8.283 27.484 1.00 34.76 ? 152 GLY A C 1 ATOM 1178 O O . GLY A 1 152 ? 117.148 7.718 27.405 1.00 35.12 ? 152 GLY A O 1 ATOM 1179 N N . PHE A 1 153 ? 115.024 7.763 28.138 1.00 33.72 ? 153 PHE A N 1 ATOM 1180 C CA . PHE A 1 153 ? 115.234 6.600 29.017 1.00 35.13 ? 153 PHE A CA 1 ATOM 1181 C C . PHE A 1 153 ? 114.246 5.433 28.951 1.00 36.43 ? 153 PHE A C 1 ATOM 1182 O O . PHE A 1 153 ? 114.357 4.447 29.722 1.00 36.90 ? 153 PHE A O 1 ATOM 1183 C CB . PHE A 1 153 ? 115.425 7.082 30.455 1.00 33.35 ? 153 PHE A CB 1 ATOM 1184 C CG . PHE A 1 153 ? 116.697 7.915 30.639 1.00 33.62 ? 153 PHE A CG 1 ATOM 1185 C CD1 . PHE A 1 153 ? 117.950 7.287 30.850 1.00 31.59 ? 153 PHE A CD1 1 ATOM 1186 C CD2 . PHE A 1 153 ? 116.649 9.321 30.581 1.00 30.08 ? 153 PHE A CD2 1 ATOM 1187 C CE1 . PHE A 1 153 ? 119.132 8.063 31.038 1.00 27.68 ? 153 PHE A CE1 1 ATOM 1188 C CE2 . PHE A 1 153 ? 117.840 10.109 30.741 1.00 29.02 ? 153 PHE A CE2 1 ATOM 1189 C CZ . PHE A 1 153 ? 119.065 9.476 30.956 1.00 29.03 ? 153 PHE A CZ 1 ATOM 1190 N N . LEU A 1 154 ? 113.275 5.515 28.039 1.00 38.48 ? 154 LEU A N 1 ATOM 1191 C CA . LEU A 1 154 ? 112.389 4.347 27.812 1.00 39.84 ? 154 LEU A CA 1 ATOM 1192 C C . LEU A 1 154 ? 113.246 3.076 27.586 1.00 40.37 ? 154 LEU A C 1 ATOM 1193 O O . LEU A 1 154 ? 114.180 3.079 26.793 1.00 39.06 ? 154 LEU A O 1 ATOM 1194 C CB . LEU A 1 154 ? 111.498 4.556 26.575 1.00 39.26 ? 154 LEU A CB 1 ATOM 1195 C CG . LEU A 1 154 ? 110.400 3.513 26.292 1.00 40.20 ? 154 LEU A CG 1 ATOM 1196 C CD1 . LEU A 1 154 ? 109.161 4.007 26.996 1.00 41.06 ? 154 LEU A CD1 1 ATOM 1197 C CD2 . LEU A 1 154 ? 110.117 3.483 24.810 1.00 40.76 ? 154 LEU A CD2 1 ATOM 1198 N N . ALA A 1 155 ? 112.889 1.996 28.272 1.00 42.03 ? 155 ALA A N 1 ATOM 1199 C CA . ALA A 1 155 ? 113.630 0.748 28.163 1.00 44.77 ? 155 ALA A CA 1 ATOM 1200 C C . ALA A 1 155 ? 112.724 -0.475 27.978 1.00 46.15 ? 155 ALA A C 1 ATOM 1201 O O . ALA A 1 155 ? 111.695 -0.606 28.614 1.00 45.04 ? 155 ALA A O 1 ATOM 1202 C CB . ALA A 1 155 ? 114.568 0.544 29.401 1.00 43.85 ? 155 ALA A CB 1 ATOM 1203 N N . LEU A 1 156 ? 113.146 -1.326 27.066 1.00 49.47 ? 156 LEU A N 1 ATOM 1204 C CA . LEU A 1 156 ? 112.741 -2.724 27.012 1.00 53.48 ? 156 LEU A CA 1 ATOM 1205 C C . LEU A 1 156 ? 114.110 -3.390 26.840 1.00 55.56 ? 156 LEU A C 1 ATOM 1206 O O . LEU A 1 156 ? 114.688 -3.391 25.732 1.00 55.36 ? 156 LEU A O 1 ATOM 1207 C CB . LEU A 1 156 ? 111.863 -2.950 25.793 1.00 54.10 ? 156 LEU A CB 1 ATOM 1208 C CG . LEU A 1 156 ? 110.377 -3.313 25.848 1.00 56.16 ? 156 LEU A CG 1 ATOM 1209 C CD1 . LEU A 1 156 ? 109.684 -3.225 27.238 1.00 57.93 ? 156 LEU A CD1 1 ATOM 1210 C CD2 . LEU A 1 156 ? 109.668 -2.510 24.763 1.00 58.65 ? 156 LEU A CD2 1 ATOM 1211 N N . PRO A 1 157 ? 114.674 -3.872 27.950 1.00 57.66 ? 157 PRO A N 1 ATOM 1212 C CA . PRO A 1 157 ? 116.117 -4.227 27.980 1.00 58.92 ? 157 PRO A CA 1 ATOM 1213 C C . PRO A 1 157 ? 116.511 -5.212 26.867 1.00 59.66 ? 157 PRO A C 1 ATOM 1214 O O . PRO A 1 157 ? 115.753 -6.154 26.590 1.00 59.88 ? 157 PRO A O 1 ATOM 1215 C CB . PRO A 1 157 ? 116.315 -4.840 29.373 1.00 59.10 ? 157 PRO A CB 1 ATOM 1216 C CG . PRO A 1 157 ? 114.904 -5.019 29.951 1.00 58.95 ? 157 PRO A CG 1 ATOM 1217 C CD . PRO A 1 157 ? 113.999 -4.062 29.255 1.00 57.90 ? 157 PRO A CD 1 ATOM 1218 N N . GLY A 1 158 ? 117.648 -4.953 26.210 1.00 59.63 ? 158 GLY A N 1 ATOM 1219 C CA . GLY A 1 158 ? 118.151 -5.818 25.137 1.00 59.91 ? 158 GLY A CA 1 ATOM 1220 C C . GLY A 1 158 ? 117.721 -5.496 23.709 1.00 60.52 ? 158 GLY A C 1 ATOM 1221 O O . GLY A 1 158 ? 118.386 -5.903 22.741 1.00 60.58 ? 158 GLY A O 1 ATOM 1222 N N . ASN A 1 159 ? 116.618 -4.749 23.583 1.00 60.12 ? 159 ASN A N 1 ATOM 1223 C CA . ASN A 1 159 ? 116.009 -4.422 22.295 1.00 58.59 ? 159 ASN A CA 1 ATOM 1224 C C . ASN A 1 159 ? 116.560 -3.102 21.776 1.00 57.86 ? 159 ASN A C 1 ATOM 1225 O O . ASN A 1 159 ? 116.250 -2.055 22.369 1.00 57.75 ? 159 ASN A O 1 ATOM 1226 C CB . ASN A 1 159 ? 114.507 -4.288 22.498 1.00 58.53 ? 159 ASN A CB 1 ATOM 1227 C CG . ASN A 1 159 ? 113.752 -4.131 21.191 1.00 59.02 ? 159 ASN A CG 1 ATOM 1228 O OD1 . ASN A 1 159 ? 114.248 -3.529 20.241 1.00 56.86 ? 159 ASN A OD1 1 ATOM 1229 N ND2 . ASN A 1 159 ? 112.540 -4.664 21.146 1.00 59.57 ? 159 ASN A ND2 1 ATOM 1230 N N . PRO A 1 160 ? 117.325 -3.121 20.672 1.00 56.83 ? 160 PRO A N 1 ATOM 1231 C CA . PRO A 1 160 ? 118.020 -1.914 20.204 1.00 55.81 ? 160 PRO A CA 1 ATOM 1232 C C . PRO A 1 160 ? 117.059 -0.808 19.762 1.00 54.93 ? 160 PRO A C 1 ATOM 1233 O O . PRO A 1 160 ? 117.492 0.332 19.546 1.00 54.90 ? 160 PRO A O 1 ATOM 1234 C CB . PRO A 1 160 ? 118.874 -2.408 19.012 1.00 56.10 ? 160 PRO A CB 1 ATOM 1235 C CG . PRO A 1 160 ? 118.772 -3.895 19.020 1.00 56.12 ? 160 PRO A CG 1 ATOM 1236 C CD . PRO A 1 160 ? 117.534 -4.267 19.763 1.00 56.94 ? 160 PRO A CD 1 ATOM 1237 N N . GLU A 1 161 ? 115.770 -1.136 19.640 1.00 54.11 ? 161 GLU A N 1 ATOM 1238 C CA . GLU A 1 161 ? 114.739 -0.139 19.266 1.00 53.48 ? 161 GLU A CA 1 ATOM 1239 C C . GLU A 1 161 ? 114.478 0.801 20.431 1.00 51.69 ? 161 GLU A C 1 ATOM 1240 O O . GLU A 1 161 ? 114.089 1.954 20.209 1.00 51.86 ? 161 GLU A O 1 ATOM 1241 C CB . GLU A 1 161 ? 113.397 -0.790 18.836 1.00 53.40 ? 161 GLU A CB 1 ATOM 1242 C CG . GLU A 1 161 ? 113.498 -1.897 17.785 1.00 56.86 ? 161 GLU A CG 1 ATOM 1243 C CD . GLU A 1 161 ? 114.524 -1.614 16.705 1.00 62.72 ? 161 GLU A CD 1 ATOM 1244 O OE1 . GLU A 1 161 ? 114.482 -0.500 16.116 1.00 65.38 ? 161 GLU A OE1 1 ATOM 1245 O OE2 . GLU A 1 161 ? 115.387 -2.502 16.452 1.00 66.13 ? 161 GLU A OE2 1 ATOM 1246 N N . ALA A 1 162 ? 114.671 0.274 21.647 1.00 49.37 ? 162 ALA A N 1 ATOM 1247 C CA . ALA A 1 162 ? 114.498 1.005 22.922 1.00 47.60 ? 162 ALA A CA 1 ATOM 1248 C C . ALA A 1 162 ? 115.314 0.350 24.070 1.00 45.39 ? 162 ALA A C 1 ATOM 1249 O O . ALA A 1 162 ? 114.742 -0.280 24.975 1.00 45.63 ? 162 ALA A O 1 ATOM 1250 C CB . ALA A 1 162 ? 112.996 1.081 23.303 1.00 47.93 ? 162 ALA A CB 1 ATOM 1251 N N . PRO A 1 163 ? 116.641 0.442 24.023 1.00 43.56 ? 163 PRO A N 1 ATOM 1252 C CA . PRO A 1 163 ? 117.456 -0.309 24.967 1.00 42.81 ? 163 PRO A CA 1 ATOM 1253 C C . PRO A 1 163 ? 117.519 0.335 26.361 1.00 41.47 ? 163 PRO A C 1 ATOM 1254 O O . PRO A 1 163 ? 117.877 -0.353 27.324 1.00 43.03 ? 163 PRO A O 1 ATOM 1255 C CB . PRO A 1 163 ? 118.830 -0.332 24.290 1.00 42.35 ? 163 PRO A CB 1 ATOM 1256 C CG . PRO A 1 163 ? 118.893 0.941 23.558 1.00 43.03 ? 163 PRO A CG 1 ATOM 1257 C CD . PRO A 1 163 ? 117.481 1.214 23.084 1.00 44.37 ? 163 PRO A CD 1 ATOM 1258 N N . GLY A 1 164 ? 117.124 1.609 26.483 1.00 38.95 ? 164 GLY A N 1 ATOM 1259 C CA . GLY A 1 164 ? 117.348 2.329 27.709 1.00 36.46 ? 164 GLY A CA 1 ATOM 1260 C C . GLY A 1 164 ? 118.638 3.116 27.672 1.00 34.80 ? 164 GLY A C 1 ATOM 1261 O O . GLY A 1 164 ? 119.465 2.928 26.764 1.00 34.13 ? 164 GLY A O 1 ATOM 1262 N N . ASN A 1 165 ? 118.765 4.056 28.619 1.00 33.65 ? 165 ASN A N 1 ATOM 1263 C CA . ASN A 1 165 ? 120.015 4.828 28.856 1.00 32.09 ? 165 ASN A CA 1 ATOM 1264 C C . ASN A 1 165 ? 120.426 5.683 27.665 1.00 31.92 ? 165 ASN A C 1 ATOM 1265 O O . ASN A 1 165 ? 121.566 6.142 27.558 1.00 30.04 ? 165 ASN A O 1 ATOM 1266 C CB . ASN A 1 165 ? 121.168 3.887 29.283 1.00 31.25 ? 165 ASN A CB 1 ATOM 1267 C CG . ASN A 1 165 ? 120.942 3.303 30.623 1.00 29.22 ? 165 ASN A CG 1 ATOM 1268 O OD1 . ASN A 1 165 ? 120.053 3.747 31.375 1.00 29.04 ? 165 ASN A OD1 1 ATOM 1269 N ND2 . ASN A 1 165 ? 121.716 2.273 30.963 1.00 32.01 ? 165 ASN A ND2 1 ATOM 1270 N N . MET A 1 166 ? 119.483 5.936 26.764 1.00 31.60 ? 166 MET A N 1 ATOM 1271 C CA . MET A 1 166 ? 119.828 6.705 25.587 1.00 31.71 ? 166 MET A CA 1 ATOM 1272 C C . MET A 1 166 ? 120.409 8.076 25.929 1.00 31.07 ? 166 MET A C 1 ATOM 1273 O O . MET A 1 166 ? 121.341 8.533 25.269 1.00 32.31 ? 166 MET A O 1 ATOM 1274 C CB . MET A 1 166 ? 118.594 6.802 24.632 1.00 32.61 ? 166 MET A CB 1 ATOM 1275 C CG . MET A 1 166 ? 118.107 5.386 24.174 1.00 32.35 ? 166 MET A CG 1 ATOM 1276 S SD . MET A 1 166 ? 116.901 4.661 25.284 1.00 37.86 ? 166 MET A SD 1 ATOM 1277 C CE . MET A 1 166 ? 115.530 5.861 25.154 1.00 36.19 ? 166 MET A CE 1 ATOM 1278 N N . GLY A 1 167 ? 119.865 8.740 26.948 1.00 31.77 ? 167 GLY A N 1 ATOM 1279 C CA . GLY A 1 167 ? 120.359 10.095 27.336 1.00 30.94 ? 167 GLY A CA 1 ATOM 1280 C C . GLY A 1 167 ? 121.752 10.055 27.987 1.00 31.58 ? 167 GLY A C 1 ATOM 1281 O O . GLY A 1 167 ? 122.536 10.978 27.875 1.00 30.42 ? 167 GLY A O 1 ATOM 1282 N N . LEU A 1 168 ? 122.048 8.957 28.678 1.00 31.25 ? 168 LEU A N 1 ATOM 1283 C CA . LEU A 1 168 ? 123.421 8.662 29.130 1.00 31.01 ? 168 LEU A CA 1 ATOM 1284 C C . LEU A 1 168 ? 124.364 8.430 27.928 1.00 30.49 ? 168 LEU A C 1 ATOM 1285 O O . LEU A 1 168 ? 125.507 8.903 27.954 1.00 28.84 ? 168 LEU A O 1 ATOM 1286 C CB . LEU A 1 168 ? 123.403 7.457 30.096 1.00 29.89 ? 168 LEU A CB 1 ATOM 1287 C CG . LEU A 1 168 ? 122.794 7.755 31.486 1.00 28.89 ? 168 LEU A CG 1 ATOM 1288 C CD1 . LEU A 1 168 ? 122.696 6.438 32.237 1.00 25.43 ? 168 LEU A CD1 1 ATOM 1289 C CD2 . LEU A 1 168 ? 123.640 8.720 32.264 1.00 29.06 ? 168 LEU A CD2 1 ATOM 1290 N N . PHE A 1 169 ? 123.886 7.720 26.883 1.00 30.17 ? 169 PHE A N 1 ATOM 1291 C CA . PHE A 1 169 ? 124.676 7.602 25.642 1.00 31.29 ? 169 PHE A CA 1 ATOM 1292 C C . PHE A 1 169 ? 124.850 8.953 24.909 1.00 30.94 ? 169 PHE A C 1 ATOM 1293 O O . PHE A 1 169 ? 125.898 9.226 24.281 1.00 31.76 ? 169 PHE A O 1 ATOM 1294 C CB . PHE A 1 169 ? 124.157 6.465 24.723 1.00 31.46 ? 169 PHE A CB 1 ATOM 1295 C CG . PHE A 1 169 ? 124.589 5.071 25.184 1.00 33.25 ? 169 PHE A CG 1 ATOM 1296 C CD1 . PHE A 1 169 ? 123.663 4.168 25.704 1.00 35.92 ? 169 PHE A CD1 1 ATOM 1297 C CD2 . PHE A 1 169 ? 125.932 4.697 25.105 1.00 30.97 ? 169 PHE A CD2 1 ATOM 1298 C CE1 . PHE A 1 169 ? 124.088 2.891 26.143 1.00 41.45 ? 169 PHE A CE1 1 ATOM 1299 C CE2 . PHE A 1 169 ? 126.368 3.426 25.548 1.00 36.66 ? 169 PHE A CE2 1 ATOM 1300 C CZ . PHE A 1 169 ? 125.446 2.528 26.049 1.00 36.04 ? 169 PHE A CZ 1 ATOM 1301 N N . ASP A 1 170 ? 123.865 9.837 25.037 1.00 30.58 ? 170 ASP A N 1 ATOM 1302 C CA . ASP A 1 170 ? 124.026 11.178 24.477 1.00 29.85 ? 170 ASP A CA 1 ATOM 1303 C C . ASP A 1 170 ? 125.184 11.899 25.191 1.00 30.35 ? 170 ASP A C 1 ATOM 1304 O O . ASP A 1 170 ? 126.069 12.471 24.551 1.00 29.92 ? 170 ASP A O 1 ATOM 1305 C CB . ASP A 1 170 ? 122.741 12.029 24.683 1.00 29.22 ? 170 ASP A CB 1 ATOM 1306 C CG . ASP A 1 170 ? 121.533 11.514 23.885 1.00 34.49 ? 170 ASP A CG 1 ATOM 1307 O OD1 . ASP A 1 170 ? 121.696 10.685 22.951 1.00 35.38 ? 170 ASP A OD1 1 ATOM 1308 O OD2 . ASP A 1 170 ? 120.357 11.861 24.167 1.00 32.52 ? 170 ASP A OD2 1 ATOM 1309 N N . GLN A 1 171 ? 125.122 11.943 26.537 1.00 29.51 ? 171 GLN A N 1 ATOM 1310 C CA . GLN A 1 171 ? 126.213 12.478 27.324 1.00 28.68 ? 171 GLN A CA 1 ATOM 1311 C C . GLN A 1 171 ? 127.526 11.874 26.874 1.00 29.12 ? 171 GLN A C 1 ATOM 1312 O O . GLN A 1 171 ? 128.455 12.609 26.680 1.00 30.49 ? 171 GLN A O 1 ATOM 1313 C CB . GLN A 1 171 ? 126.015 12.212 28.791 1.00 28.41 ? 171 GLN A CB 1 ATOM 1314 C CG . GLN A 1 171 ? 124.788 12.905 29.378 1.00 27.85 ? 171 GLN A CG 1 ATOM 1315 C CD . GLN A 1 171 ? 124.543 12.422 30.775 1.00 32.22 ? 171 GLN A CD 1 ATOM 1316 O OE1 . GLN A 1 171 ? 125.493 11.892 31.428 1.00 29.94 ? 171 GLN A OE1 1 ATOM 1317 N NE2 . GLN A 1 171 ? 123.311 12.628 31.282 1.00 29.46 ? 171 GLN A NE2 1 ATOM 1318 N N . GLN A 1 172 ? 127.590 10.564 26.679 1.00 30.27 ? 172 GLN A N 1 ATOM 1319 C CA . GLN A 1 172 ? 128.857 9.882 26.392 1.00 31.90 ? 172 GLN A CA 1 ATOM 1320 C C . GLN A 1 172 ? 129.410 10.292 25.029 1.00 33.75 ? 172 GLN A C 1 ATOM 1321 O O . GLN A 1 172 ? 130.619 10.534 24.840 1.00 33.84 ? 172 GLN A O 1 ATOM 1322 C CB . GLN A 1 172 ? 128.660 8.379 26.452 1.00 32.79 ? 172 GLN A CB 1 ATOM 1323 C CG . GLN A 1 172 ? 129.972 7.617 26.535 1.00 32.73 ? 172 GLN A CG 1 ATOM 1324 C CD . GLN A 1 172 ? 129.748 6.125 26.594 1.00 35.80 ? 172 GLN A CD 1 ATOM 1325 O OE1 . GLN A 1 172 ? 129.830 5.479 27.697 1.00 37.97 ? 172 GLN A OE1 1 ATOM 1326 N NE2 . GLN A 1 172 ? 129.474 5.553 25.446 1.00 30.32 ? 172 GLN A NE2 1 ATOM 1327 N N . LEU A 1 173 ? 128.498 10.469 24.077 1.00 33.79 ? 173 LEU A N 1 ATOM 1328 C CA . LEU A 1 173 ? 128.913 10.869 22.754 1.00 33.20 ? 173 LEU A CA 1 ATOM 1329 C C . LEU A 1 173 ? 129.404 12.281 22.767 1.00 33.25 ? 173 LEU A C 1 ATOM 1330 O O . LEU A 1 173 ? 130.358 12.607 22.072 1.00 35.01 ? 173 LEU A O 1 ATOM 1331 C CB . LEU A 1 173 ? 127.748 10.694 21.742 1.00 33.86 ? 173 LEU A CB 1 ATOM 1332 C CG . LEU A 1 173 ? 128.041 10.995 20.255 1.00 36.95 ? 173 LEU A CG 1 ATOM 1333 C CD1 . LEU A 1 173 ? 129.301 10.219 19.732 1.00 36.83 ? 173 LEU A CD1 1 ATOM 1334 C CD2 . LEU A 1 173 ? 126.807 10.623 19.430 1.00 35.13 ? 173 LEU A CD2 1 ATOM 1335 N N . ALA A 1 174 ? 128.796 13.144 23.566 1.00 33.48 ? 174 ALA A N 1 ATOM 1336 C CA . ALA A 1 174 ? 129.364 14.471 23.726 1.00 34.07 ? 174 ALA A CA 1 ATOM 1337 C C . ALA A 1 174 ? 130.764 14.422 24.397 1.00 34.34 ? 174 ALA A C 1 ATOM 1338 O O . ALA A 1 174 ? 131.647 15.240 24.059 1.00 34.75 ? 174 ALA A O 1 ATOM 1339 C CB . ALA A 1 174 ? 128.422 15.375 24.477 1.00 34.53 ? 174 ALA A CB 1 ATOM 1340 N N . LEU A 1 175 ? 130.967 13.492 25.343 1.00 34.28 ? 175 LEU A N 1 ATOM 1341 C CA . LEU A 1 175 ? 132.328 13.271 25.924 1.00 34.25 ? 175 LEU A CA 1 ATOM 1342 C C . LEU A 1 175 ? 133.359 12.890 24.827 1.00 34.03 ? 175 LEU A C 1 ATOM 1343 O O . LEU A 1 175 ? 134.482 13.394 24.843 1.00 32.95 ? 175 LEU A O 1 ATOM 1344 C CB . LEU A 1 175 ? 132.326 12.219 27.055 1.00 33.30 ? 175 LEU A CB 1 ATOM 1345 C CG . LEU A 1 175 ? 131.324 12.360 28.225 1.00 34.66 ? 175 LEU A CG 1 ATOM 1346 C CD1 . LEU A 1 175 ? 131.700 11.527 29.444 1.00 34.22 ? 175 LEU A CD1 1 ATOM 1347 C CD2 . LEU A 1 175 ? 131.180 13.788 28.645 1.00 35.89 ? 175 LEU A CD2 1 ATOM 1348 N N . GLN A 1 176 ? 132.970 11.965 23.940 1.00 34.40 ? 176 GLN A N 1 ATOM 1349 C CA . GLN A 1 176 ? 133.724 11.590 22.743 1.00 35.39 ? 176 GLN A CA 1 ATOM 1350 C C . GLN A 1 176 ? 134.016 12.788 21.829 1.00 35.90 ? 176 GLN A C 1 ATOM 1351 O O . GLN A 1 176 ? 135.141 12.952 21.354 1.00 37.09 ? 176 GLN A O 1 ATOM 1352 C CB . GLN A 1 176 ? 132.960 10.523 21.953 1.00 36.53 ? 176 GLN A CB 1 ATOM 1353 C CG A GLN A 1 176 ? 133.173 9.085 22.356 0.60 38.60 ? 176 GLN A CG 1 ATOM 1354 C CG B GLN A 1 176 ? 133.624 10.049 20.645 0.40 37.46 ? 176 GLN A CG 1 ATOM 1355 C CD A GLN A 1 176 ? 132.254 8.127 21.603 0.60 42.37 ? 176 GLN A CD 1 ATOM 1356 C CD B GLN A 1 176 ? 135.053 9.492 20.800 0.40 41.91 ? 176 GLN A CD 1 ATOM 1357 O OE1 A GLN A 1 176 ? 131.825 7.095 22.147 0.60 42.66 ? 176 GLN A OE1 1 ATOM 1358 O OE1 B GLN A 1 176 ? 135.828 9.524 19.834 0.40 44.01 ? 176 GLN A OE1 1 ATOM 1359 N NE2 A GLN A 1 176 ? 131.955 8.460 20.345 0.60 47.28 ? 176 GLN A NE2 1 ATOM 1360 N NE2 B GLN A 1 176 ? 135.390 8.963 21.979 0.40 40.04 ? 176 GLN A NE2 1 ATOM 1361 N N . TRP A 1 177 ? 133.019 13.643 21.596 1.00 36.07 ? 177 TRP A N 1 ATOM 1362 C CA . TRP A 1 177 ? 133.220 14.881 20.829 1.00 35.35 ? 177 TRP A CA 1 ATOM 1363 C C . TRP A 1 177 ? 134.359 15.731 21.420 1.00 35.57 ? 177 TRP A C 1 ATOM 1364 O O . TRP A 1 177 ? 135.198 16.230 20.688 1.00 34.57 ? 177 TRP A O 1 ATOM 1365 C CB . TRP A 1 177 ? 131.913 15.727 20.770 1.00 35.97 ? 177 TRP A CB 1 ATOM 1366 C CG . TRP A 1 177 ? 132.040 16.926 19.828 1.00 35.26 ? 177 TRP A CG 1 ATOM 1367 C CD1 . TRP A 1 177 ? 131.671 16.971 18.495 1.00 38.45 ? 177 TRP A CD1 1 ATOM 1368 C CD2 . TRP A 1 177 ? 132.603 18.221 20.118 1.00 34.83 ? 177 TRP A CD2 1 ATOM 1369 N NE1 . TRP A 1 177 ? 131.984 18.199 17.952 1.00 35.39 ? 177 TRP A NE1 1 ATOM 1370 C CE2 . TRP A 1 177 ? 132.519 18.999 18.926 1.00 33.79 ? 177 TRP A CE2 1 ATOM 1371 C CE3 . TRP A 1 177 ? 133.140 18.821 21.275 1.00 36.81 ? 177 TRP A CE3 1 ATOM 1372 C CZ2 . TRP A 1 177 ? 132.972 20.317 18.846 1.00 34.60 ? 177 TRP A CZ2 1 ATOM 1373 C CZ3 . TRP A 1 177 ? 133.588 20.139 21.209 1.00 35.64 ? 177 TRP A CZ3 1 ATOM 1374 C CH2 . TRP A 1 177 ? 133.510 20.880 19.981 1.00 35.90 ? 177 TRP A CH2 1 ATOM 1375 N N . VAL A 1 178 ? 134.326 15.966 22.739 1.00 34.92 ? 178 VAL A N 1 ATOM 1376 C CA . VAL A 1 178 ? 135.399 16.669 23.419 1.00 35.74 ? 178 VAL A CA 1 ATOM 1377 C C . VAL A 1 178 ? 136.745 15.944 23.209 1.00 36.37 ? 178 VAL A C 1 ATOM 1378 O O . VAL A 1 178 ? 137.723 16.575 22.873 1.00 37.81 ? 178 VAL A O 1 ATOM 1379 C CB . VAL A 1 178 ? 135.077 16.882 24.962 1.00 35.89 ? 178 VAL A CB 1 ATOM 1380 C CG1 . VAL A 1 178 ? 136.259 17.450 25.726 1.00 33.07 ? 178 VAL A CG1 1 ATOM 1381 C CG2 . VAL A 1 178 ? 133.842 17.765 25.145 1.00 35.09 ? 178 VAL A CG2 1 ATOM 1382 N N . GLN A 1 179 ? 136.798 14.628 23.407 1.00 38.12 ? 179 GLN A N 1 ATOM 1383 C CA . GLN A 1 179 ? 138.039 13.870 23.122 1.00 38.87 ? 179 GLN A CA 1 ATOM 1384 C C . GLN A 1 179 ? 138.580 14.182 21.704 1.00 39.59 ? 179 GLN A C 1 ATOM 1385 O O . GLN A 1 179 ? 139.741 14.590 21.544 1.00 38.41 ? 179 GLN A O 1 ATOM 1386 C CB . GLN A 1 179 ? 137.835 12.358 23.316 1.00 39.07 ? 179 GLN A CB 1 ATOM 1387 C CG . GLN A 1 179 ? 137.878 11.878 24.782 1.00 38.30 ? 179 GLN A CG 1 ATOM 1388 C CD . GLN A 1 179 ? 139.063 12.423 25.581 1.00 38.09 ? 179 GLN A CD 1 ATOM 1389 O OE1 . GLN A 1 179 ? 140.151 11.876 25.519 1.00 40.23 ? 179 GLN A OE1 1 ATOM 1390 N NE2 . GLN A 1 179 ? 138.839 13.479 26.348 1.00 36.48 ? 179 GLN A NE2 1 ATOM 1391 N N . LYS A 1 180 ? 137.726 13.995 20.692 1.00 39.83 ? 180 LYS A N 1 ATOM 1392 C CA . LYS A 1 180 ? 138.096 14.234 19.289 1.00 40.76 ? 180 LYS A CA 1 ATOM 1393 C C . LYS A 1 180 ? 138.376 15.701 18.868 1.00 40.72 ? 180 LYS A C 1 ATOM 1394 O O . LYS A 1 180 ? 139.223 15.946 17.982 1.00 42.08 ? 180 LYS A O 1 ATOM 1395 C CB . LYS A 1 180 ? 137.062 13.581 18.381 1.00 40.81 ? 180 LYS A CB 1 ATOM 1396 C CG . LYS A 1 180 ? 137.102 12.074 18.548 1.00 43.06 ? 180 LYS A CG 1 ATOM 1397 C CD . LYS A 1 180 ? 135.801 11.348 18.132 0.50 44.93 ? 180 LYS A CD 1 ATOM 1398 C CE . LYS A 1 180 ? 135.669 11.199 16.618 0.50 46.39 ? 180 LYS A CE 1 ATOM 1399 N NZ . LYS A 1 180 ? 134.421 10.482 16.220 0.50 45.56 ? 180 LYS A NZ 1 ATOM 1400 N N . ASN A 1 181 ? 137.737 16.675 19.526 1.00 39.31 ? 181 ASN A N 1 ATOM 1401 C CA . ASN A 1 181 ? 137.678 18.029 19.000 1.00 38.44 ? 181 ASN A CA 1 ATOM 1402 C C . ASN A 1 181 ? 138.242 19.111 19.886 1.00 38.03 ? 181 ASN A C 1 ATOM 1403 O O . ASN A 1 181 ? 138.572 20.197 19.412 1.00 37.67 ? 181 ASN A O 1 ATOM 1404 C CB . ASN A 1 181 ? 136.209 18.363 18.640 1.00 38.25 ? 181 ASN A CB 1 ATOM 1405 C CG . ASN A 1 181 ? 135.692 17.485 17.519 1.00 39.91 ? 181 ASN A CG 1 ATOM 1406 O OD1 . ASN A 1 181 ? 136.123 17.631 16.386 1.00 42.00 ? 181 ASN A OD1 1 ATOM 1407 N ND2 . ASN A 1 181 ? 134.804 16.540 17.832 1.00 40.95 ? 181 ASN A ND2 1 ATOM 1408 N N . ILE A 1 182 ? 138.348 18.863 21.178 1.00 37.20 ? 182 ILE A N 1 ATOM 1409 C CA . ILE A 1 182 ? 138.692 19.998 22.052 1.00 37.03 ? 182 ILE A CA 1 ATOM 1410 C C . ILE A 1 182 ? 140.110 20.603 21.851 1.00 38.03 ? 182 ILE A C 1 ATOM 1411 O O . ILE A 1 182 ? 140.331 21.781 22.148 1.00 37.43 ? 182 ILE A O 1 ATOM 1412 C CB . ILE A 1 182 ? 138.350 19.699 23.542 1.00 37.74 ? 182 ILE A CB 1 ATOM 1413 C CG1 . ILE A 1 182 ? 137.845 20.962 24.254 1.00 36.52 ? 182 ILE A CG1 1 ATOM 1414 C CG2 . ILE A 1 182 ? 139.500 18.941 24.264 1.00 35.87 ? 182 ILE A CG2 1 ATOM 1415 C CD1 . ILE A 1 182 ? 136.411 21.300 23.879 1.00 36.00 ? 182 ILE A CD1 1 ATOM 1416 N N . ALA A 1 183 ? 141.065 19.817 21.360 1.00 39.16 ? 183 ALA A N 1 ATOM 1417 C CA . ALA A 1 183 ? 142.438 20.355 21.158 1.00 39.99 ? 183 ALA A CA 1 ATOM 1418 C C . ALA A 1 183 ? 142.421 21.511 20.141 1.00 40.65 ? 183 ALA A C 1 ATOM 1419 O O . ALA A 1 183 ? 143.155 22.472 20.301 1.00 39.84 ? 183 ALA A O 1 ATOM 1420 C CB . ALA A 1 183 ? 143.388 19.250 20.739 1.00 40.33 ? 183 ALA A CB 1 ATOM 1421 N N . ALA A 1 184 ? 141.480 21.462 19.188 1.00 41.03 ? 184 ALA A N 1 ATOM 1422 C CA . ALA A 1 184 ? 141.316 22.525 18.166 1.00 41.34 ? 184 ALA A CA 1 ATOM 1423 C C . ALA A 1 184 ? 140.887 23.874 18.764 1.00 42.04 ? 184 ALA A C 1 ATOM 1424 O O . ALA A 1 184 ? 141.184 24.948 18.221 1.00 42.54 ? 184 ALA A O 1 ATOM 1425 C CB . ALA A 1 184 ? 140.351 22.072 17.100 1.00 41.59 ? 184 ALA A CB 1 ATOM 1426 N N . PHE A 1 185 ? 140.223 23.815 19.919 1.00 41.21 ? 185 PHE A N 1 ATOM 1427 C CA . PHE A 1 185 ? 139.812 24.990 20.675 1.00 40.10 ? 185 PHE A CA 1 ATOM 1428 C C . PHE A 1 185 ? 140.827 25.358 21.740 1.00 40.47 ? 185 PHE A C 1 ATOM 1429 O O . PHE A 1 185 ? 140.577 26.264 22.520 1.00 41.09 ? 185 PHE A O 1 ATOM 1430 C CB . PHE A 1 185 ? 138.479 24.728 21.405 1.00 40.69 ? 185 PHE A CB 1 ATOM 1431 C CG . PHE A 1 185 ? 137.318 24.470 20.483 1.00 39.66 ? 185 PHE A CG 1 ATOM 1432 C CD1 . PHE A 1 185 ? 137.156 23.215 19.904 1.00 38.21 ? 185 PHE A CD1 1 ATOM 1433 C CD2 . PHE A 1 185 ? 136.416 25.508 20.171 1.00 37.72 ? 185 PHE A CD2 1 ATOM 1434 C CE1 . PHE A 1 185 ? 136.105 22.961 19.024 1.00 39.16 ? 185 PHE A CE1 1 ATOM 1435 C CE2 . PHE A 1 185 ? 135.359 25.281 19.272 1.00 37.48 ? 185 PHE A CE2 1 ATOM 1436 C CZ . PHE A 1 185 ? 135.190 24.017 18.718 1.00 38.78 ? 185 PHE A CZ 1 ATOM 1437 N N . GLY A 1 186 ? 141.955 24.653 21.805 1.00 40.99 ? 186 GLY A N 1 ATOM 1438 C CA . GLY A 1 186 ? 142.987 24.956 22.815 1.00 40.01 ? 186 GLY A CA 1 ATOM 1439 C C . GLY A 1 186 ? 142.856 24.161 24.116 1.00 40.15 ? 186 GLY A C 1 ATOM 1440 O O . GLY A 1 186 ? 143.444 24.545 25.135 1.00 40.37 ? 186 GLY A O 1 ATOM 1441 N N . GLY A 1 187 ? 142.089 23.061 24.074 1.00 39.82 ? 187 GLY A N 1 ATOM 1442 C CA . GLY A 1 187 ? 141.739 22.271 25.267 1.00 38.07 ? 187 GLY A CA 1 ATOM 1443 C C . GLY A 1 187 ? 142.639 21.059 25.367 1.00 37.92 ? 187 GLY A C 1 ATOM 1444 O O . GLY A 1 187 ? 143.172 20.603 24.383 1.00 36.99 ? 187 GLY A O 1 ATOM 1445 N N . ASN A 1 188 ? 142.808 20.528 26.575 1.00 37.18 ? 188 ASN A N 1 ATOM 1446 C CA . ASN A 1 188 ? 143.561 19.310 26.762 1.00 36.40 ? 188 ASN A CA 1 ATOM 1447 C C . ASN A 1 188 ? 142.612 18.110 26.950 1.00 36.76 ? 188 ASN A C 1 ATOM 1448 O O . ASN A 1 188 ? 142.073 17.946 28.027 1.00 35.57 ? 188 ASN A O 1 ATOM 1449 C CB . ASN A 1 188 ? 144.413 19.507 28.021 1.00 35.57 ? 188 ASN A CB 1 ATOM 1450 C CG . ASN A 1 188 ? 145.315 18.324 28.321 1.00 34.36 ? 188 ASN A CG 1 ATOM 1451 O OD1 . ASN A 1 188 ? 145.333 17.331 27.608 1.00 34.37 ? 188 ASN A OD1 1 ATOM 1452 N ND2 . ASN A 1 188 ? 146.055 18.433 29.390 1.00 32.54 ? 188 ASN A ND2 1 ATOM 1453 N N . PRO A 1 189 ? 142.461 17.221 25.965 1.00 37.65 ? 189 PRO A N 1 ATOM 1454 C CA . PRO A 1 189 ? 141.603 16.046 26.165 1.00 37.71 ? 189 PRO A CA 1 ATOM 1455 C C . PRO A 1 189 ? 142.067 15.121 27.317 1.00 38.43 ? 189 PRO A C 1 ATOM 1456 O O . PRO A 1 189 ? 141.277 14.310 27.811 1.00 38.94 ? 189 PRO A O 1 ATOM 1457 C CB . PRO A 1 189 ? 141.662 15.319 24.815 1.00 38.04 ? 189 PRO A CB 1 ATOM 1458 C CG . PRO A 1 189 ? 142.896 15.812 24.144 1.00 38.33 ? 189 PRO A CG 1 ATOM 1459 C CD . PRO A 1 189 ? 143.126 17.213 24.655 1.00 37.29 ? 189 PRO A CD 1 ATOM 1460 N N . LYS A 1 190 ? 143.316 15.255 27.777 1.00 37.92 ? 190 LYS A N 1 ATOM 1461 C CA . LYS A 1 190 ? 143.807 14.406 28.869 1.00 37.75 ? 190 LYS A CA 1 ATOM 1462 C C . LYS A 1 190 ? 143.563 15.048 30.227 1.00 36.52 ? 190 LYS A C 1 ATOM 1463 O O . LYS A 1 190 ? 143.911 14.460 31.250 1.00 35.22 ? 190 LYS A O 1 ATOM 1464 C CB . LYS A 1 190 ? 145.307 14.105 28.712 1.00 38.71 ? 190 LYS A CB 1 ATOM 1465 C CG . LYS A 1 190 ? 145.645 13.237 27.520 1.00 40.92 ? 190 LYS A CG 1 ATOM 1466 C CD . LYS A 1 190 ? 147.207 13.153 27.349 1.00 47.78 ? 190 LYS A CD 1 ATOM 1467 C CE . LYS A 1 190 ? 147.564 12.394 26.069 1.00 49.10 ? 190 LYS A CE 1 ATOM 1468 N NZ . LYS A 1 190 ? 149.043 12.096 25.949 0.80 52.48 ? 190 LYS A NZ 1 ATOM 1469 N N . SER A 1 191 ? 142.959 16.238 30.230 1.00 34.18 ? 191 SER A N 1 ATOM 1470 C CA . SER A 1 191 ? 142.570 16.926 31.484 1.00 33.53 ? 191 SER A CA 1 ATOM 1471 C C . SER A 1 191 ? 141.101 17.380 31.388 1.00 33.12 ? 191 SER A C 1 ATOM 1472 O O . SER A 1 191 ? 140.801 18.569 31.145 1.00 34.26 ? 191 SER A O 1 ATOM 1473 C CB . SER A 1 191 ? 143.484 18.106 31.748 1.00 32.08 ? 191 SER A CB 1 ATOM 1474 O OG . SER A 1 191 ? 143.312 18.684 33.035 1.00 32.14 ? 191 SER A OG 1 ATOM 1475 N N . VAL A 1 192 ? 140.209 16.420 31.630 1.00 31.75 ? 192 VAL A N 1 ATOM 1476 C CA . VAL A 1 192 ? 138.777 16.616 31.499 1.00 31.08 ? 192 VAL A CA 1 ATOM 1477 C C . VAL A 1 192 ? 138.085 16.252 32.795 1.00 29.21 ? 192 VAL A C 1 ATOM 1478 O O . VAL A 1 192 ? 138.163 15.130 33.242 1.00 29.00 ? 192 VAL A O 1 ATOM 1479 C CB . VAL A 1 192 ? 138.212 15.820 30.300 1.00 30.36 ? 192 VAL A CB 1 ATOM 1480 C CG1 . VAL A 1 192 ? 136.659 15.934 30.286 1.00 32.71 ? 192 VAL A CG1 1 ATOM 1481 C CG2 . VAL A 1 192 ? 138.758 16.414 29.027 1.00 32.95 ? 192 VAL A CG2 1 ATOM 1482 N N . THR A 1 193 ? 137.428 17.222 33.414 1.00 29.91 ? 193 THR A N 1 ATOM 1483 C CA . THR A 1 193 ? 136.667 16.940 34.614 1.00 29.08 ? 193 THR A CA 1 ATOM 1484 C C . THR A 1 193 ? 135.152 17.036 34.345 1.00 29.47 ? 193 THR A C 1 ATOM 1485 O O . THR A 1 193 ? 134.689 18.060 33.823 1.00 29.32 ? 193 THR A O 1 ATOM 1486 C CB . THR A 1 193 ? 137.087 17.933 35.698 1.00 29.24 ? 193 THR A CB 1 ATOM 1487 O OG1 . THR A 1 193 ? 138.399 17.576 36.142 1.00 30.73 ? 193 THR A OG1 1 ATOM 1488 C CG2 . THR A 1 193 ? 136.260 17.760 36.968 1.00 27.10 ? 193 THR A CG2 1 ATOM 1489 N N . LEU A 1 194 ? 134.389 16.006 34.758 1.00 28.73 ? 194 LEU A N 1 ATOM 1490 C CA . LEU A 1 194 ? 132.925 16.056 34.679 1.00 27.44 ? 194 LEU A CA 1 ATOM 1491 C C . LEU A 1 194 ? 132.427 16.696 35.943 1.00 27.41 ? 194 LEU A C 1 ATOM 1492 O O . LEU A 1 194 ? 132.972 16.417 37.043 1.00 26.91 ? 194 LEU A O 1 ATOM 1493 C CB . LEU A 1 194 ? 132.324 14.641 34.551 1.00 26.77 ? 194 LEU A CB 1 ATOM 1494 C CG . LEU A 1 194 ? 132.847 13.696 33.458 1.00 28.43 ? 194 LEU A CG 1 ATOM 1495 C CD1 . LEU A 1 194 ? 132.057 12.407 33.430 1.00 28.85 ? 194 LEU A CD1 1 ATOM 1496 C CD2 . LEU A 1 194 ? 132.973 14.345 32.024 1.00 27.76 ? 194 LEU A CD2 1 ATOM 1497 N N . PHE A 1 195 ? 131.409 17.551 35.822 1.00 26.75 ? 195 PHE A N 1 ATOM 1498 C CA . PHE A 1 195 ? 130.698 18.062 36.999 1.00 27.28 ? 195 PHE A CA 1 ATOM 1499 C C . PHE A 1 195 ? 129.209 18.132 36.689 1.00 27.94 ? 195 PHE A C 1 ATOM 1500 O O . PHE A 1 195 ? 128.835 18.204 35.484 1.00 27.56 ? 195 PHE A O 1 ATOM 1501 C CB . PHE A 1 195 ? 131.361 19.337 37.619 1.00 27.24 ? 195 PHE A CB 1 ATOM 1502 C CG . PHE A 1 195 ? 131.207 20.666 36.830 1.00 28.69 ? 195 PHE A CG 1 ATOM 1503 C CD1 . PHE A 1 195 ? 131.449 20.761 35.480 1.00 27.54 ? 195 PHE A CD1 1 ATOM 1504 C CD2 . PHE A 1 195 ? 130.948 21.855 37.537 1.00 28.89 ? 195 PHE A CD2 1 ATOM 1505 C CE1 . PHE A 1 195 ? 131.320 21.983 34.808 1.00 27.77 ? 195 PHE A CE1 1 ATOM 1506 C CE2 . PHE A 1 195 ? 130.828 23.052 36.889 1.00 30.42 ? 195 PHE A CE2 1 ATOM 1507 C CZ . PHE A 1 195 ? 131.034 23.129 35.517 1.00 29.91 ? 195 PHE A CZ 1 ATOM 1508 N N . GLY A 1 196 ? 128.357 17.922 37.707 1.00 27.63 ? 196 GLY A N 1 ATOM 1509 C CA . GLY A 1 196 ? 126.918 17.852 37.445 1.00 26.12 ? 196 GLY A CA 1 ATOM 1510 C C . GLY A 1 196 ? 126.254 17.962 38.768 1.00 27.68 ? 196 GLY A C 1 ATOM 1511 O O . GLY A 1 196 ? 126.926 17.737 39.801 1.00 27.76 ? 196 GLY A O 1 ATOM 1512 N N . GLU A 1 197 ? 124.968 18.356 38.771 1.00 25.88 ? 197 GLU A N 1 ATOM 1513 C CA . GLU A 1 197 ? 124.206 18.511 39.999 1.00 26.56 ? 197 GLU A CA 1 ATOM 1514 C C . GLU A 1 197 ? 122.943 17.661 39.907 1.00 27.02 ? 197 GLU A C 1 ATOM 1515 O O . GLU A 1 197 ? 122.388 17.511 38.826 1.00 25.82 ? 197 GLU A O 1 ATOM 1516 C CB . GLU A 1 197 ? 123.929 19.994 40.309 1.00 26.73 ? 197 GLU A CB 1 ATOM 1517 C CG . GLU A 1 197 ? 123.188 20.284 41.626 1.00 26.38 ? 197 GLU A CG 1 ATOM 1518 C CD . GLU A 1 197 ? 121.667 20.268 41.466 1.00 32.44 ? 197 GLU A CD 1 ATOM 1519 O OE1 . GLU A 1 197 ? 121.202 20.132 40.302 1.00 28.90 ? 197 GLU A OE1 1 ATOM 1520 O OE2 . GLU A 1 197 ? 120.955 20.425 42.483 1.00 31.30 ? 197 GLU A OE2 1 ATOM 1521 N N . SER A 1 198 ? 122.547 17.068 41.047 1.00 28.53 ? 198 SER A N 1 ATOM 1522 C CA . SER A 1 198 ? 121.415 16.119 41.174 1.00 29.35 ? 198 SER A CA 1 ATOM 1523 C C . SER A 1 198 ? 121.450 14.930 40.168 1.00 29.07 ? 198 SER A C 1 ATOM 1524 O O . SER A 1 198 ? 122.338 14.111 40.272 1.00 28.88 ? 198 SER A O 1 ATOM 1525 C CB . SER A 1 198 ? 120.083 16.845 41.243 1.00 30.86 ? 198 SER A CB 1 ATOM 1526 O OG . SER A 1 198 ? 118.797 16.285 41.677 1.00 41.56 ? 198 SER A OG 1 ATOM 1527 N N . ALA A 1 199 ? 120.517 14.836 39.198 1.00 28.33 ? 199 ALA A N 1 ATOM 1528 C CA . ALA A 1 199 ? 120.578 13.794 38.186 1.00 26.03 ? 199 ALA A CA 1 ATOM 1529 C C . ALA A 1 199 ? 121.825 13.981 37.338 1.00 27.50 ? 199 ALA A C 1 ATOM 1530 O O . ALA A 1 199 ? 122.326 13.001 36.723 1.00 27.55 ? 199 ALA A O 1 ATOM 1531 C CB . ALA A 1 199 ? 119.284 13.802 37.258 1.00 27.08 ? 199 ALA A CB 1 ATOM 1532 N N . GLY A 1 200 ? 122.310 15.233 37.229 1.00 26.62 ? 200 GLY A N 1 ATOM 1533 C CA . GLY A 1 200 ? 123.565 15.428 36.519 1.00 26.89 ? 200 GLY A CA 1 ATOM 1534 C C . GLY A 1 200 ? 124.752 14.842 37.294 1.00 26.79 ? 200 GLY A C 1 ATOM 1535 O O . GLY A 1 200 ? 125.686 14.347 36.698 1.00 27.57 ? 200 GLY A O 1 ATOM 1536 N N . ALA A 1 201 ? 124.700 14.889 38.621 1.00 27.92 ? 201 ALA A N 1 ATOM 1537 C CA . ALA A 1 201 ? 125.735 14.262 39.504 1.00 27.46 ? 201 ALA A CA 1 ATOM 1538 C C . ALA A 1 201 ? 125.569 12.732 39.513 1.00 28.56 ? 201 ALA A C 1 ATOM 1539 O O . ALA A 1 201 ? 126.563 11.991 39.460 1.00 27.61 ? 201 ALA A O 1 ATOM 1540 C CB . ALA A 1 201 ? 125.632 14.779 40.901 1.00 25.21 ? 201 ALA A CB 1 ATOM 1541 N N . ALA A 1 202 ? 124.321 12.250 39.595 1.00 27.48 ? 202 ALA A N 1 ATOM 1542 C CA . ALA A 1 202 ? 124.123 10.813 39.416 1.00 27.21 ? 202 ALA A CA 1 ATOM 1543 C C . ALA A 1 202 ? 124.708 10.313 38.078 1.00 27.52 ? 202 ALA A C 1 ATOM 1544 O O . ALA A 1 202 ? 125.359 9.252 38.016 1.00 27.88 ? 202 ALA A O 1 ATOM 1545 C CB . ALA A 1 202 ? 122.640 10.443 39.560 1.00 27.17 ? 202 ALA A CB 1 ATOM 1546 N N . SER A 1 203 ? 124.498 11.064 37.017 1.00 26.11 ? 203 SER A N 1 ATOM 1547 C CA . SER A 1 203 ? 125.058 10.730 35.724 1.00 27.42 ? 203 SER A CA 1 ATOM 1548 C C . SER A 1 203 ? 126.600 10.652 35.781 1.00 28.44 ? 203 SER A C 1 ATOM 1549 O O . SER A 1 203 ? 127.188 9.738 35.260 1.00 28.86 ? 203 SER A O 1 ATOM 1550 C CB . SER A 1 203 ? 124.668 11.810 34.691 1.00 27.32 ? 203 SER A CB 1 ATOM 1551 O OG . SER A 1 203 ? 123.258 11.820 34.439 1.00 30.43 ? 203 SER A OG 1 ATOM 1552 N N . VAL A 1 204 ? 127.242 11.665 36.363 1.00 28.97 ? 204 VAL A N 1 ATOM 1553 C CA . VAL A 1 204 ? 128.684 11.694 36.501 1.00 29.18 ? 204 VAL A CA 1 ATOM 1554 C C . VAL A 1 204 ? 129.139 10.383 37.206 1.00 28.08 ? 204 VAL A C 1 ATOM 1555 O O . VAL A 1 204 ? 130.058 9.742 36.766 1.00 27.85 ? 204 VAL A O 1 ATOM 1556 C CB . VAL A 1 204 ? 129.159 12.974 37.339 1.00 29.05 ? 204 VAL A CB 1 ATOM 1557 C CG1 . VAL A 1 204 ? 130.578 12.776 37.934 1.00 29.18 ? 204 VAL A CG1 1 ATOM 1558 C CG2 . VAL A 1 204 ? 129.132 14.259 36.472 1.00 28.60 ? 204 VAL A CG2 1 ATOM 1559 N N . SER A 1 205 ? 128.452 10.021 38.276 1.00 26.96 ? 205 SER A N 1 ATOM 1560 C CA . SER A 1 205 ? 128.780 8.801 39.027 1.00 28.57 ? 205 SER A CA 1 ATOM 1561 C C . SER A 1 205 ? 128.604 7.523 38.213 1.00 28.95 ? 205 SER A C 1 ATOM 1562 O O . SER A 1 205 ? 129.384 6.600 38.405 1.00 29.87 ? 205 SER A O 1 ATOM 1563 C CB . SER A 1 205 ? 128.037 8.743 40.356 1.00 26.52 ? 205 SER A CB 1 ATOM 1564 O OG . SER A 1 205 ? 126.666 8.417 40.189 1.00 27.87 ? 205 SER A OG 1 ATOM 1565 N N . LEU A 1 206 ? 127.648 7.501 37.274 1.00 28.89 ? 206 LEU A N 1 ATOM 1566 C CA . LEU A 1 206 ? 127.503 6.367 36.310 1.00 29.15 ? 206 LEU A CA 1 ATOM 1567 C C . LEU A 1 206 ? 128.574 6.338 35.241 1.00 28.92 ? 206 LEU A C 1 ATOM 1568 O O . LEU A 1 206 ? 128.973 5.261 34.798 1.00 29.04 ? 206 LEU A O 1 ATOM 1569 C CB . LEU A 1 206 ? 126.093 6.375 35.653 1.00 28.85 ? 206 LEU A CB 1 ATOM 1570 C CG . LEU A 1 206 ? 124.964 6.091 36.657 1.00 30.63 ? 206 LEU A CG 1 ATOM 1571 C CD1 . LEU A 1 206 ? 123.592 6.355 36.028 1.00 32.67 ? 206 LEU A CD1 1 ATOM 1572 C CD2 . LEU A 1 206 ? 125.063 4.667 37.265 1.00 29.24 ? 206 LEU A CD2 1 ATOM 1573 N N . HIS A 1 207 ? 129.005 7.503 34.755 1.00 28.72 ? 207 HIS A N 1 ATOM 1574 C CA . HIS A 1 207 ? 130.178 7.514 33.889 1.00 29.14 ? 207 HIS A CA 1 ATOM 1575 C C . HIS A 1 207 ? 131.435 6.928 34.609 1.00 30.54 ? 207 HIS A C 1 ATOM 1576 O O . HIS A 1 207 ? 132.259 6.324 33.964 1.00 30.90 ? 207 HIS A O 1 ATOM 1577 C CB . HIS A 1 207 ? 130.461 8.910 33.346 1.00 28.73 ? 207 HIS A CB 1 ATOM 1578 C CG . HIS A 1 207 ? 129.425 9.410 32.377 1.00 28.53 ? 207 HIS A CG 1 ATOM 1579 N ND1 . HIS A 1 207 ? 129.318 8.949 31.077 1.00 26.32 ? 207 HIS A ND1 1 ATOM 1580 C CD2 . HIS A 1 207 ? 128.457 10.345 32.523 1.00 26.03 ? 207 HIS A CD2 1 ATOM 1581 C CE1 . HIS A 1 207 ? 128.312 9.560 30.472 1.00 31.87 ? 207 HIS A CE1 1 ATOM 1582 N NE2 . HIS A 1 207 ? 127.775 10.425 31.325 1.00 27.11 ? 207 HIS A NE2 1 ATOM 1583 N N . LEU A 1 208 ? 131.568 7.115 35.927 1.00 31.04 ? 208 LEU A N 1 ATOM 1584 C CA . LEU A 1 208 ? 132.627 6.457 36.702 1.00 32.60 ? 208 LEU A CA 1 ATOM 1585 C C . LEU A 1 208 ? 132.501 4.927 36.636 1.00 33.74 ? 208 LEU A C 1 ATOM 1586 O O . LEU A 1 208 ? 133.531 4.224 36.637 1.00 34.53 ? 208 LEU A O 1 ATOM 1587 C CB . LEU A 1 208 ? 132.614 6.894 38.185 1.00 31.17 ? 208 LEU A CB 1 ATOM 1588 C CG . LEU A 1 208 ? 133.193 8.290 38.448 1.00 31.13 ? 208 LEU A CG 1 ATOM 1589 C CD1 . LEU A 1 208 ? 132.824 8.685 39.897 1.00 25.88 ? 208 LEU A CD1 1 ATOM 1590 C CD2 . LEU A 1 208 ? 134.741 8.444 38.187 1.00 24.88 ? 208 LEU A CD2 1 ATOM 1591 N N . LEU A 1 209 ? 131.264 4.425 36.559 1.00 33.22 ? 209 LEU A N 1 ATOM 1592 C CA . LEU A 1 209 ? 131.018 3.004 36.449 1.00 34.98 ? 209 LEU A CA 1 ATOM 1593 C C . LEU A 1 209 ? 131.039 2.401 35.061 1.00 36.28 ? 209 LEU A C 1 ATOM 1594 O O . LEU A 1 209 ? 131.114 1.170 34.955 1.00 38.14 ? 209 LEU A O 1 ATOM 1595 C CB . LEU A 1 209 ? 129.691 2.583 37.099 1.00 34.66 ? 209 LEU A CB 1 ATOM 1596 C CG . LEU A 1 209 ? 129.357 2.913 38.549 1.00 37.24 ? 209 LEU A CG 1 ATOM 1597 C CD1 . LEU A 1 209 ? 128.119 2.185 39.004 1.00 37.91 ? 209 LEU A CD1 1 ATOM 1598 C CD2 . LEU A 1 209 ? 130.433 2.585 39.480 1.00 34.26 ? 209 LEU A CD2 1 ATOM 1599 N N . SER A 1 210 ? 130.928 3.208 34.010 1.00 36.39 ? 210 SER A N 1 ATOM 1600 C CA . SER A 1 210 ? 130.719 2.681 32.690 1.00 36.66 ? 210 SER A CA 1 ATOM 1601 C C . SER A 1 210 ? 132.046 2.494 31.975 1.00 37.56 ? 210 SER A C 1 ATOM 1602 O O . SER A 1 210 ? 132.759 3.445 31.777 1.00 36.26 ? 210 SER A O 1 ATOM 1603 C CB . SER A 1 210 ? 129.817 3.624 31.857 1.00 37.45 ? 210 SER A CB 1 ATOM 1604 O OG . SER A 1 210 ? 129.542 2.986 30.612 1.00 36.40 ? 210 SER A OG 1 ATOM 1605 N N . PRO A 1 211 ? 132.374 1.273 31.555 1.00 39.71 ? 211 PRO A N 1 ATOM 1606 C CA . PRO A 1 211 ? 133.651 1.033 30.867 1.00 39.73 ? 211 PRO A CA 1 ATOM 1607 C C . PRO A 1 211 ? 133.785 1.903 29.616 1.00 38.70 ? 211 PRO A C 1 ATOM 1608 O O . PRO A 1 211 ? 134.884 2.345 29.314 1.00 40.02 ? 211 PRO A O 1 ATOM 1609 C CB . PRO A 1 211 ? 133.592 -0.461 30.511 1.00 40.73 ? 211 PRO A CB 1 ATOM 1610 C CG . PRO A 1 211 ? 132.705 -1.026 31.586 1.00 42.89 ? 211 PRO A CG 1 ATOM 1611 C CD . PRO A 1 211 ? 131.587 0.030 31.704 1.00 40.83 ? 211 PRO A CD 1 ATOM 1612 N N . GLY A 1 212 ? 132.680 2.191 28.935 1.00 37.03 ? 212 GLY A N 1 ATOM 1613 C CA . GLY A 1 212 ? 132.726 3.006 27.743 1.00 36.22 ? 212 GLY A CA 1 ATOM 1614 C C . GLY A 1 212 ? 133.059 4.464 27.993 1.00 35.79 ? 212 GLY A C 1 ATOM 1615 O O . GLY A 1 212 ? 133.439 5.167 27.078 1.00 34.86 ? 212 GLY A O 1 ATOM 1616 N N . SER A 1 213 ? 132.912 4.937 29.233 1.00 34.92 ? 213 SER A N 1 ATOM 1617 C CA . SER A 1 213 ? 133.235 6.346 29.527 1.00 34.29 ? 213 SER A CA 1 ATOM 1618 C C . SER A 1 213 ? 134.632 6.499 30.131 1.00 34.71 ? 213 SER A C 1 ATOM 1619 O O . SER A 1 213 ? 135.157 7.596 30.208 1.00 35.07 ? 213 SER A O 1 ATOM 1620 C CB . SER A 1 213 ? 132.177 6.939 30.475 1.00 34.94 ? 213 SER A CB 1 ATOM 1621 O OG . SER A 1 213 ? 130.885 7.005 29.828 1.00 33.52 ? 213 SER A OG 1 ATOM 1622 N N . HIS A 1 214 ? 135.240 5.395 30.556 1.00 35.60 ? 214 HIS A N 1 ATOM 1623 C CA . HIS A 1 214 ? 136.524 5.436 31.307 1.00 35.72 ? 214 HIS A CA 1 ATOM 1624 C C . HIS A 1 214 ? 137.615 6.264 30.642 1.00 35.94 ? 214 HIS A C 1 ATOM 1625 O O . HIS A 1 214 ? 138.247 7.049 31.317 1.00 35.56 ? 214 HIS A O 1 ATOM 1626 C CB A HIS A 1 214 ? 137.032 3.969 31.488 0.50 36.69 ? 214 HIS A CB 1 ATOM 1627 C CB B HIS A 1 214 ? 136.920 4.067 31.852 0.50 35.50 ? 214 HIS A CB 1 ATOM 1628 C CG A HIS A 1 214 ? 138.290 3.822 32.308 0.50 36.45 ? 214 HIS A CG 1 ATOM 1629 C CG B HIS A 1 214 ? 136.036 3.606 32.969 0.50 33.81 ? 214 HIS A CG 1 ATOM 1630 N ND1 A HIS A 1 214 ? 138.316 3.144 33.509 0.50 37.51 ? 214 HIS A ND1 1 ATOM 1631 N ND1 B HIS A 1 214 ? 134.855 4.256 33.312 0.50 29.79 ? 214 HIS A ND1 1 ATOM 1632 C CD2 A HIS A 1 214 ? 139.562 4.244 32.093 0.50 37.49 ? 214 HIS A CD2 1 ATOM 1633 C CD2 B HIS A 1 214 ? 136.133 2.533 33.791 0.50 30.56 ? 214 HIS A CD2 1 ATOM 1634 C CE1 A HIS A 1 214 ? 139.540 3.174 34.008 0.50 35.89 ? 214 HIS A CE1 1 ATOM 1635 C CE1 B HIS A 1 214 ? 134.292 3.611 34.313 0.50 29.06 ? 214 HIS A CE1 1 ATOM 1636 N NE2 A HIS A 1 214 ? 140.316 3.841 33.172 0.50 37.48 ? 214 HIS A NE2 1 ATOM 1637 N NE2 B HIS A 1 214 ? 135.046 2.564 34.623 0.50 30.51 ? 214 HIS A NE2 1 ATOM 1638 N N . SER A 1 215 ? 137.743 6.214 29.306 1.00 36.91 ? 215 SER A N 1 ATOM 1639 C CA . SER A 1 215 ? 138.845 6.920 28.650 1.00 37.81 ? 215 SER A CA 1 ATOM 1640 C C . SER A 1 215 ? 138.408 8.287 28.169 1.00 37.39 ? 215 SER A C 1 ATOM 1641 O O . SER A 1 215 ? 139.197 8.981 27.524 1.00 37.87 ? 215 SER A O 1 ATOM 1642 C CB . SER A 1 215 ? 139.355 6.099 27.442 1.00 40.15 ? 215 SER A CB 1 ATOM 1643 O OG . SER A 1 215 ? 138.372 6.149 26.380 1.00 43.53 ? 215 SER A OG 1 ATOM 1644 N N . LEU A 1 216 ? 137.152 8.678 28.478 1.00 35.51 ? 216 LEU A N 1 ATOM 1645 C CA . LEU A 1 216 ? 136.598 9.978 28.032 1.00 33.84 ? 216 LEU A CA 1 ATOM 1646 C C . LEU A 1 216 ? 136.721 11.107 29.043 1.00 33.88 ? 216 LEU A C 1 ATOM 1647 O O . LEU A 1 216 ? 136.282 12.232 28.774 1.00 34.30 ? 216 LEU A O 1 ATOM 1648 C CB . LEU A 1 216 ? 135.142 9.813 27.593 1.00 33.41 ? 216 LEU A CB 1 ATOM 1649 C CG . LEU A 1 216 ? 134.890 8.663 26.613 1.00 32.14 ? 216 LEU A CG 1 ATOM 1650 C CD1 . LEU A 1 216 ? 133.405 8.553 26.195 1.00 32.15 ? 216 LEU A CD1 1 ATOM 1651 C CD2 . LEU A 1 216 ? 135.821 8.784 25.378 1.00 33.55 ? 216 LEU A CD2 1 ATOM 1652 N N . PHE A 1 217 ? 137.314 10.841 30.217 1.00 31.62 ? 217 PHE A N 1 ATOM 1653 C CA . PHE A 1 217 ? 137.489 11.921 31.207 1.00 30.52 ? 217 PHE A CA 1 ATOM 1654 C C . PHE A 1 217 ? 138.549 11.585 32.275 1.00 31.27 ? 217 PHE A C 1 ATOM 1655 O O . PHE A 1 217 ? 139.006 10.457 32.348 1.00 29.98 ? 217 PHE A O 1 ATOM 1656 C CB . PHE A 1 217 ? 136.130 12.310 31.871 1.00 28.51 ? 217 PHE A CB 1 ATOM 1657 C CG . PHE A 1 217 ? 135.577 11.278 32.813 1.00 29.01 ? 217 PHE A CG 1 ATOM 1658 C CD1 . PHE A 1 217 ? 135.014 10.096 32.320 1.00 27.58 ? 217 PHE A CD1 1 ATOM 1659 C CD2 . PHE A 1 217 ? 135.584 11.492 34.211 1.00 26.07 ? 217 PHE A CD2 1 ATOM 1660 C CE1 . PHE A 1 217 ? 134.509 9.154 33.145 1.00 26.57 ? 217 PHE A CE1 1 ATOM 1661 C CE2 . PHE A 1 217 ? 135.092 10.528 35.053 1.00 27.71 ? 217 PHE A CE2 1 ATOM 1662 C CZ . PHE A 1 217 ? 134.510 9.385 34.536 1.00 28.98 ? 217 PHE A CZ 1 ATOM 1663 N N . THR A 1 218 ? 138.933 12.576 33.077 1.00 30.83 ? 218 THR A N 1 ATOM 1664 C CA . THR A 1 218 ? 139.997 12.384 34.082 1.00 31.31 ? 218 THR A CA 1 ATOM 1665 C C . THR A 1 218 ? 139.446 12.263 35.537 1.00 30.70 ? 218 THR A C 1 ATOM 1666 O O . THR A 1 218 ? 139.827 11.353 36.267 1.00 30.60 ? 218 THR A O 1 ATOM 1667 C CB . THR A 1 218 ? 140.944 13.603 34.005 1.00 31.79 ? 218 THR A CB 1 ATOM 1668 O OG1 . THR A 1 218 ? 141.358 13.777 32.633 1.00 31.92 ? 218 THR A OG1 1 ATOM 1669 C CG2 . THR A 1 218 ? 142.265 13.338 34.846 1.00 32.14 ? 218 THR A CG2 1 ATOM 1670 N N . ARG A 1 219 ? 138.589 13.211 35.933 1.00 29.17 ? 219 ARG A N 1 ATOM 1671 C CA . ARG A 1 219 ? 138.184 13.410 37.345 1.00 31.02 ? 219 ARG A CA 1 ATOM 1672 C C . ARG A 1 219 ? 136.697 13.727 37.376 1.00 29.29 ? 219 ARG A C 1 ATOM 1673 O O . ARG A 1 219 ? 136.145 14.011 36.348 1.00 28.22 ? 219 ARG A O 1 ATOM 1674 C CB . ARG A 1 219 ? 138.971 14.609 37.928 1.00 30.99 ? 219 ARG A CB 1 ATOM 1675 C CG . ARG A 1 219 ? 140.242 14.192 38.577 1.00 37.33 ? 219 ARG A CG 1 ATOM 1676 C CD . ARG A 1 219 ? 140.936 15.264 39.442 1.00 34.24 ? 219 ARG A CD 1 ATOM 1677 N NE . ARG A 1 219 ? 141.725 16.068 38.566 1.00 40.36 ? 219 ARG A NE 1 ATOM 1678 C CZ . ARG A 1 219 ? 142.833 15.676 38.007 1.00 38.15 ? 219 ARG A CZ 1 ATOM 1679 N NH1 . ARG A 1 219 ? 143.398 16.486 37.162 1.00 38.14 ? 219 ARG A NH1 1 ATOM 1680 N NH2 . ARG A 1 219 ? 143.368 14.485 38.285 1.00 38.01 ? 219 ARG A NH2 1 ATOM 1681 N N . ALA A 1 220 ? 136.069 13.733 38.556 1.00 29.10 ? 220 ALA A N 1 ATOM 1682 C CA . ALA A 1 220 ? 134.598 13.904 38.627 1.00 28.04 ? 220 ALA A CA 1 ATOM 1683 C C . ALA A 1 220 ? 134.236 14.686 39.848 1.00 27.46 ? 220 ALA A C 1 ATOM 1684 O O . ALA A 1 220 ? 134.872 14.516 40.897 1.00 27.79 ? 220 ALA A O 1 ATOM 1685 C CB . ALA A 1 220 ? 133.897 12.498 38.638 1.00 25.84 ? 220 ALA A CB 1 ATOM 1686 N N . ILE A 1 221 ? 133.222 15.551 39.702 1.00 27.75 ? 221 ILE A N 1 ATOM 1687 C CA . ILE A 1 221 ? 132.610 16.368 40.760 1.00 27.17 ? 221 ILE A CA 1 ATOM 1688 C C . ILE A 1 221 ? 131.102 16.042 40.791 1.00 28.11 ? 221 ILE A C 1 ATOM 1689 O O . ILE A 1 221 ? 130.394 16.195 39.754 1.00 27.80 ? 221 ILE A O 1 ATOM 1690 C CB . ILE A 1 221 ? 132.773 17.899 40.462 1.00 26.74 ? 221 ILE A CB 1 ATOM 1691 C CG1 . ILE A 1 221 ? 134.257 18.292 40.251 1.00 27.41 ? 221 ILE A CG1 1 ATOM 1692 C CG2 . ILE A 1 221 ? 132.024 18.761 41.530 1.00 24.95 ? 221 ILE A CG2 1 ATOM 1693 C CD1 . ILE A 1 221 ? 134.547 19.768 40.000 1.00 28.07 ? 221 ILE A CD1 1 ATOM 1694 N N . LEU A 1 222 ? 130.622 15.658 41.972 1.00 27.71 ? 222 LEU A N 1 ATOM 1695 C CA . LEU A 1 222 ? 129.223 15.261 42.218 1.00 28.94 ? 222 LEU A CA 1 ATOM 1696 C C . LEU A 1 222 ? 128.528 16.233 43.192 1.00 28.15 ? 222 LEU A C 1 ATOM 1697 O O . LEU A 1 222 ? 128.756 16.205 44.384 1.00 26.80 ? 222 LEU A O 1 ATOM 1698 C CB . LEU A 1 222 ? 129.123 13.803 42.748 1.00 28.77 ? 222 LEU A CB 1 ATOM 1699 C CG . LEU A 1 222 ? 129.562 12.629 41.843 1.00 31.22 ? 222 LEU A CG 1 ATOM 1700 C CD1 . LEU A 1 222 ? 131.096 12.642 41.562 1.00 33.12 ? 222 LEU A CD1 1 ATOM 1701 C CD2 . LEU A 1 222 ? 129.196 11.313 42.502 1.00 29.87 ? 222 LEU A CD2 1 ATOM 1702 N N . GLN A 1 223 ? 127.694 17.115 42.650 1.00 27.28 ? 223 GLN A N 1 ATOM 1703 C CA . GLN A 1 223 ? 126.961 18.078 43.478 1.00 26.79 ? 223 GLN A CA 1 ATOM 1704 C C . GLN A 1 223 ? 125.560 17.573 43.754 1.00 26.69 ? 223 GLN A C 1 ATOM 1705 O O . GLN A 1 223 ? 124.762 17.452 42.832 1.00 25.55 ? 223 GLN A O 1 ATOM 1706 C CB . GLN A 1 223 ? 126.916 19.460 42.787 1.00 27.77 ? 223 GLN A CB 1 ATOM 1707 C CG . GLN A 1 223 ? 128.360 20.018 42.508 1.00 28.28 ? 223 GLN A CG 1 ATOM 1708 C CD . GLN A 1 223 ? 128.443 21.283 41.635 1.00 28.93 ? 223 GLN A CD 1 ATOM 1709 O OE1 . GLN A 1 223 ? 129.489 21.535 41.039 1.00 29.11 ? 223 GLN A OE1 1 ATOM 1710 N NE2 . GLN A 1 223 ? 127.385 22.091 41.606 1.00 31.29 ? 223 GLN A NE2 1 ATOM 1711 N N . SER A 1 224 ? 125.255 17.276 45.026 1.00 26.17 ? 224 SER A N 1 ATOM 1712 C CA . SER A 1 224 ? 123.903 16.807 45.400 1.00 27.69 ? 224 SER A CA 1 ATOM 1713 C C . SER A 1 224 ? 123.332 15.656 44.537 1.00 28.50 ? 224 SER A C 1 ATOM 1714 O O . SER A 1 224 ? 122.188 15.763 44.038 1.00 28.84 ? 224 SER A O 1 ATOM 1715 C CB . SER A 1 224 ? 122.863 17.940 45.396 1.00 26.27 ? 224 SER A CB 1 ATOM 1716 O OG . SER A 1 224 ? 123.311 19.083 46.104 1.00 28.45 ? 224 SER A OG 1 ATOM 1717 N N . GLY A 1 225 ? 124.101 14.587 44.346 1.00 27.56 ? 225 GLY A N 1 ATOM 1718 C CA . GLY A 1 225 ? 123.562 13.423 43.662 1.00 27.90 ? 225 GLY A CA 1 ATOM 1719 C C . GLY A 1 225 ? 124.613 12.340 43.512 1.00 28.76 ? 225 GLY A C 1 ATOM 1720 O O . GLY A 1 225 ? 125.815 12.643 43.525 1.00 27.60 ? 225 GLY A O 1 ATOM 1721 N N . SER A 1 226 ? 124.149 11.092 43.356 1.00 28.93 ? 226 SER A N 1 ATOM 1722 C CA . SER A 1 226 ? 125.001 9.945 43.063 1.00 29.54 ? 226 SER A CA 1 ATOM 1723 C C . SER A 1 226 ? 124.053 8.823 42.696 1.00 29.95 ? 226 SER A C 1 ATOM 1724 O O . SER A 1 226 ? 122.887 8.846 43.108 1.00 30.19 ? 226 SER A O 1 ATOM 1725 C CB . SER A 1 226 ? 125.859 9.603 44.308 1.00 28.74 ? 226 SER A CB 1 ATOM 1726 O OG . SER A 1 226 ? 125.045 9.496 45.482 1.00 28.62 ? 226 SER A OG 1 ATOM 1727 N N . PHE A 1 227 ? 124.527 7.830 41.946 1.00 30.74 ? 227 PHE A N 1 ATOM 1728 C CA . PHE A 1 227 ? 123.621 6.814 41.377 1.00 31.53 ? 227 PHE A CA 1 ATOM 1729 C C . PHE A 1 227 ? 122.937 5.953 42.471 1.00 32.09 ? 227 PHE A C 1 ATOM 1730 O O . PHE A 1 227 ? 121.877 5.383 42.202 1.00 32.65 ? 227 PHE A O 1 ATOM 1731 C CB . PHE A 1 227 ? 124.392 5.894 40.407 1.00 33.50 ? 227 PHE A CB 1 ATOM 1732 C CG . PHE A 1 227 ? 125.201 4.846 41.154 1.00 36.89 ? 227 PHE A CG 1 ATOM 1733 C CD1 . PHE A 1 227 ? 126.536 4.988 41.325 1.00 39.61 ? 227 PHE A CD1 1 ATOM 1734 C CD2 . PHE A 1 227 ? 124.542 3.808 41.813 1.00 43.42 ? 227 PHE A CD2 1 ATOM 1735 C CE1 . PHE A 1 227 ? 127.239 4.081 42.086 1.00 42.81 ? 227 PHE A CE1 1 ATOM 1736 C CE2 . PHE A 1 227 ? 125.237 2.918 42.581 1.00 45.32 ? 227 PHE A CE2 1 ATOM 1737 C CZ . PHE A 1 227 ? 126.598 3.069 42.696 1.00 42.75 ? 227 PHE A CZ 1 ATOM 1738 N N . ASN A 1 228 ? 123.519 5.870 43.690 1.00 30.77 ? 228 ASN A N 1 ATOM 1739 C CA . ASN A 1 228 ? 122.941 5.093 44.795 1.00 30.33 ? 228 ASN A CA 1 ATOM 1740 C C . ASN A 1 228 ? 121.808 5.800 45.505 1.00 30.30 ? 228 ASN A C 1 ATOM 1741 O O . ASN A 1 228 ? 121.219 5.263 46.418 1.00 30.80 ? 228 ASN A O 1 ATOM 1742 C CB . ASN A 1 228 ? 124.017 4.641 45.812 1.00 29.59 ? 228 ASN A CB 1 ATOM 1743 C CG . ASN A 1 228 ? 124.775 5.829 46.431 1.00 29.60 ? 228 ASN A CG 1 ATOM 1744 O OD1 . ASN A 1 228 ? 125.085 6.793 45.743 1.00 29.20 ? 228 ASN A OD1 1 ATOM 1745 N ND2 . ASN A 1 228 ? 125.058 5.760 47.722 1.00 27.38 ? 228 ASN A ND2 1 ATOM 1746 N N . ALA A 1 229 ? 121.530 7.042 45.124 1.00 30.10 ? 229 ALA A N 1 ATOM 1747 C CA . ALA A 1 229 ? 120.328 7.748 45.592 1.00 30.28 ? 229 ALA A CA 1 ATOM 1748 C C . ALA A 1 229 ? 119.074 6.928 45.217 1.00 29.27 ? 229 ALA A C 1 ATOM 1749 O O . ALA A 1 229 ? 119.084 6.232 44.202 1.00 30.39 ? 229 ALA A O 1 ATOM 1750 C CB . ALA A 1 229 ? 120.285 9.163 44.974 1.00 28.57 ? 229 ALA A CB 1 ATOM 1751 N N . PRO A 1 230 ? 118.027 6.943 46.030 1.00 29.78 ? 230 PRO A N 1 ATOM 1752 C CA . PRO A 1 230 ? 116.872 6.059 45.787 1.00 30.57 ? 230 PRO A CA 1 ATOM 1753 C C . PRO A 1 230 ? 116.115 6.364 44.452 1.00 31.83 ? 230 PRO A C 1 ATOM 1754 O O . PRO A 1 230 ? 115.481 5.460 43.860 1.00 30.93 ? 230 PRO A O 1 ATOM 1755 C CB . PRO A 1 230 ? 115.965 6.286 46.978 1.00 30.89 ? 230 PRO A CB 1 ATOM 1756 C CG . PRO A 1 230 ? 116.510 7.519 47.759 1.00 30.30 ? 230 PRO A CG 1 ATOM 1757 C CD . PRO A 1 230 ? 117.886 7.772 47.235 1.00 30.88 ? 230 PRO A CD 1 ATOM 1758 N N . TRP A 1 231 ? 116.247 7.600 43.977 1.00 31.15 ? 231 TRP A N 1 ATOM 1759 C CA . TRP A 1 231 ? 115.577 8.054 42.740 1.00 31.70 ? 231 TRP A CA 1 ATOM 1760 C C . TRP A 1 231 ? 116.392 7.795 41.488 1.00 31.47 ? 231 TRP A C 1 ATOM 1761 O O . TRP A 1 231 ? 115.909 8.004 40.365 1.00 32.40 ? 231 TRP A O 1 ATOM 1762 C CB . TRP A 1 231 ? 115.253 9.561 42.877 1.00 31.70 ? 231 TRP A CB 1 ATOM 1763 C CG . TRP A 1 231 ? 116.452 10.416 43.351 1.00 29.56 ? 231 TRP A CG 1 ATOM 1764 C CD1 . TRP A 1 231 ? 116.682 10.855 44.616 1.00 29.02 ? 231 TRP A CD1 1 ATOM 1765 C CD2 . TRP A 1 231 ? 117.554 10.910 42.558 1.00 27.74 ? 231 TRP A CD2 1 ATOM 1766 N NE1 . TRP A 1 231 ? 117.854 11.579 44.680 1.00 28.22 ? 231 TRP A NE1 1 ATOM 1767 C CE2 . TRP A 1 231 ? 118.411 11.636 43.431 1.00 28.77 ? 231 TRP A CE2 1 ATOM 1768 C CE3 . TRP A 1 231 ? 117.906 10.831 41.206 1.00 29.64 ? 231 TRP A CE3 1 ATOM 1769 C CZ2 . TRP A 1 231 ? 119.610 12.274 42.984 1.00 28.54 ? 231 TRP A CZ2 1 ATOM 1770 C CZ3 . TRP A 1 231 ? 119.100 11.485 40.758 1.00 27.90 ? 231 TRP A CZ3 1 ATOM 1771 C CH2 . TRP A 1 231 ? 119.933 12.171 41.653 1.00 26.32 ? 231 TRP A CH2 1 ATOM 1772 N N . ALA A 1 232 ? 117.640 7.339 41.619 1.00 31.22 ? 232 ALA A N 1 ATOM 1773 C CA . ALA A 1 232 ? 118.556 7.452 40.472 1.00 30.64 ? 232 ALA A CA 1 ATOM 1774 C C . ALA A 1 232 ? 118.543 6.316 39.459 1.00 32.49 ? 232 ALA A C 1 ATOM 1775 O O . ALA A 1 232 ? 119.001 6.462 38.325 1.00 32.02 ? 232 ALA A O 1 ATOM 1776 C CB . ALA A 1 232 ? 119.981 7.690 40.959 1.00 31.08 ? 232 ALA A CB 1 ATOM 1777 N N . VAL A 1 233 ? 118.079 5.148 39.853 1.00 32.72 ? 233 VAL A N 1 ATOM 1778 C CA . VAL A 1 233 ? 118.186 4.026 38.926 1.00 35.46 ? 233 VAL A CA 1 ATOM 1779 C C . VAL A 1 233 ? 116.844 3.295 38.944 1.00 37.68 ? 233 VAL A C 1 ATOM 1780 O O . VAL A 1 233 ? 116.307 3.009 40.012 1.00 37.35 ? 233 VAL A O 1 ATOM 1781 C CB . VAL A 1 233 ? 119.374 3.036 39.312 1.00 36.14 ? 233 VAL A CB 1 ATOM 1782 C CG1 . VAL A 1 233 ? 119.466 1.850 38.319 1.00 30.50 ? 233 VAL A CG1 1 ATOM 1783 C CG2 . VAL A 1 233 ? 120.748 3.815 39.400 1.00 33.35 ? 233 VAL A CG2 1 ATOM 1784 N N . THR A 1 234 ? 116.290 3.091 37.758 1.00 39.46 ? 234 THR A N 1 ATOM 1785 C CA . THR A 1 234 ? 114.988 2.422 37.592 1.00 41.08 ? 234 THR A CA 1 ATOM 1786 C C . THR A 1 234 ? 115.276 0.914 37.486 1.00 41.99 ? 234 THR A C 1 ATOM 1787 O O . THR A 1 234 ? 116.133 0.510 36.691 1.00 41.52 ? 234 THR A O 1 ATOM 1788 C CB . THR A 1 234 ? 114.321 2.896 36.264 1.00 40.72 ? 234 THR A CB 1 ATOM 1789 O OG1 . THR A 1 234 ? 114.199 4.343 36.222 1.00 39.92 ? 234 THR A OG1 1 ATOM 1790 C CG2 . THR A 1 234 ? 112.882 2.336 36.141 1.00 41.61 ? 234 THR A CG2 1 ATOM 1791 N N . SER A 1 235 ? 114.582 0.096 38.278 1.00 44.10 ? 235 SER A N 1 ATOM 1792 C CA . SER A 1 235 ? 114.702 -1.373 38.166 1.00 47.12 ? 235 SER A CA 1 ATOM 1793 C C . SER A 1 235 ? 114.169 -1.865 36.819 1.00 48.47 ? 235 SER A C 1 ATOM 1794 O O . SER A 1 235 ? 113.355 -1.191 36.168 1.00 49.52 ? 235 SER A O 1 ATOM 1795 C CB . SER A 1 235 ? 113.955 -2.072 39.299 1.00 47.12 ? 235 SER A CB 1 ATOM 1796 O OG . SER A 1 235 ? 112.569 -2.204 38.985 1.00 50.25 ? 235 SER A OG 1 ATOM 1797 N N . LEU A 1 236 ? 114.643 -3.020 36.380 1.00 50.34 ? 236 LEU A N 1 ATOM 1798 C CA . LEU A 1 236 ? 114.183 -3.582 35.117 1.00 52.09 ? 236 LEU A CA 1 ATOM 1799 C C . LEU A 1 236 ? 112.700 -3.940 35.180 1.00 52.53 ? 236 LEU A C 1 ATOM 1800 O O . LEU A 1 236 ? 112.000 -3.878 34.176 1.00 52.72 ? 236 LEU A O 1 ATOM 1801 C CB . LEU A 1 236 ? 115.041 -4.764 34.704 1.00 52.52 ? 236 LEU A CB 1 ATOM 1802 C CG . LEU A 1 236 ? 115.984 -4.484 33.529 1.00 56.25 ? 236 LEU A CG 1 ATOM 1803 C CD1 . LEU A 1 236 ? 116.274 -2.986 33.237 1.00 54.76 ? 236 LEU A CD1 1 ATOM 1804 C CD2 . LEU A 1 236 ? 117.278 -5.324 33.633 1.00 59.31 ? 236 LEU A CD2 1 ATOM 1805 N N . TYR A 1 237 ? 112.239 -4.280 36.375 1.00 53.00 ? 237 TYR A N 1 ATOM 1806 C CA . TYR A 1 237 ? 110.842 -4.506 36.638 1.00 53.80 ? 237 TYR A CA 1 ATOM 1807 C C . TYR A 1 237 ? 109.989 -3.235 36.506 1.00 53.05 ? 237 TYR A C 1 ATOM 1808 O O . TYR A 1 237 ? 108.955 -3.255 35.837 1.00 53.72 ? 237 TYR A O 1 ATOM 1809 C CB . TYR A 1 237 ? 110.640 -5.179 38.016 1.00 54.92 ? 237 TYR A CB 1 ATOM 1810 C CG . TYR A 1 237 ? 109.233 -5.679 38.193 1.00 58.16 ? 237 TYR A CG 1 ATOM 1811 C CD1 . TYR A 1 237 ? 108.329 -5.019 39.042 0.50 61.52 ? 237 TYR A CD1 1 ATOM 1812 C CD2 . TYR A 1 237 ? 108.777 -6.777 37.462 0.10 60.74 ? 237 TYR A CD2 1 ATOM 1813 C CE1 . TYR A 1 237 ? 107.009 -5.464 39.172 1.00 63.47 ? 237 TYR A CE1 1 ATOM 1814 C CE2 . TYR A 1 237 ? 107.482 -7.233 37.585 0.50 63.15 ? 237 TYR A CE2 1 ATOM 1815 C CZ . TYR A 1 237 ? 106.602 -6.577 38.440 1.00 65.47 ? 237 TYR A CZ 1 ATOM 1816 O OH . TYR A 1 237 ? 105.307 -7.046 38.544 1.00 69.75 ? 237 TYR A OH 1 ATOM 1817 N N . GLU A 1 238 ? 110.405 -2.144 37.145 1.00 51.38 ? 238 GLU A N 1 ATOM 1818 C CA . GLU A 1 238 ? 109.702 -0.874 36.994 1.00 50.74 ? 238 GLU A CA 1 ATOM 1819 C C . GLU A 1 238 ? 109.718 -0.402 35.541 1.00 49.08 ? 238 GLU A C 1 ATOM 1820 O O . GLU A 1 238 ? 108.713 0.036 35.024 1.00 49.45 ? 238 GLU A O 1 ATOM 1821 C CB . GLU A 1 238 ? 110.305 0.225 37.887 1.00 50.44 ? 238 GLU A CB 1 ATOM 1822 C CG . GLU A 1 238 ? 110.170 -0.008 39.377 1.00 53.98 ? 238 GLU A CG 1 ATOM 1823 C CD . GLU A 1 238 ? 111.165 0.828 40.200 0.80 56.20 ? 238 GLU A CD 1 ATOM 1824 O OE1 . GLU A 1 238 ? 112.282 1.144 39.683 1.00 54.05 ? 238 GLU A OE1 1 ATOM 1825 O OE2 . GLU A 1 238 ? 110.815 1.178 41.365 1.00 55.79 ? 238 GLU A OE2 1 ATOM 1826 N N . ALA A 1 239 ? 110.871 -0.465 34.901 1.00 48.82 ? 239 ALA A N 1 ATOM 1827 C CA . ALA A 1 239 ? 111.024 0.003 33.539 1.00 49.01 ? 239 ALA A CA 1 ATOM 1828 C C . ALA A 1 239 ? 110.072 -0.693 32.574 1.00 49.90 ? 239 ALA A C 1 ATOM 1829 O O . ALA A 1 239 ? 109.456 -0.033 31.745 1.00 50.41 ? 239 ALA A O 1 ATOM 1830 C CB . ALA A 1 239 ? 112.476 -0.161 33.070 1.00 48.34 ? 239 ALA A CB 1 ATOM 1831 N N . ARG A 1 240 ? 109.968 -2.025 32.666 1.00 51.05 ? 240 ARG A N 1 ATOM 1832 C CA . ARG A 1 240 ? 109.055 -2.829 31.797 1.00 51.18 ? 240 ARG A CA 1 ATOM 1833 C C . ARG A 1 240 ? 107.599 -2.362 31.939 1.00 51.04 ? 240 ARG A C 1 ATOM 1834 O O . ARG A 1 240 ? 106.941 -2.026 30.953 1.00 51.34 ? 240 ARG A O 1 ATOM 1835 C CB . ARG A 1 240 ? 109.182 -4.331 32.158 1.00 51.67 ? 240 ARG A CB 1 ATOM 1836 C CG . ARG A 1 240 ? 108.033 -5.218 31.669 0.50 53.42 ? 240 ARG A CG 1 ATOM 1837 C CD . ARG A 1 240 ? 108.336 -6.712 31.718 0.50 57.94 ? 240 ARG A CD 1 ATOM 1838 N NE . ARG A 1 240 ? 107.383 -7.488 30.918 1.00 61.38 ? 240 ARG A NE 1 ATOM 1839 C CZ . ARG A 1 240 ? 107.400 -7.563 29.586 1.00 62.89 ? 240 ARG A CZ 1 ATOM 1840 N NH1 . ARG A 1 240 ? 108.316 -6.905 28.867 1.00 63.18 ? 240 ARG A NH1 1 ATOM 1841 N NH2 . ARG A 1 240 ? 106.480 -8.297 28.965 1.00 65.64 ? 240 ARG A NH2 1 ATOM 1842 N N . ASN A 1 241 ? 107.139 -2.312 33.187 1.00 51.42 ? 241 ASN A N 1 ATOM 1843 C CA . ASN A 1 241 ? 105.800 -1.912 33.552 1.00 51.95 ? 241 ASN A CA 1 ATOM 1844 C C . ASN A 1 241 ? 105.450 -0.496 33.105 1.00 51.25 ? 241 ASN A C 1 ATOM 1845 O O . ASN A 1 241 ? 104.288 -0.201 32.763 1.00 51.48 ? 241 ASN A O 1 ATOM 1846 C CB . ASN A 1 241 ? 105.635 -2.031 35.080 1.00 53.00 ? 241 ASN A CB 1 ATOM 1847 C CG . ASN A 1 241 ? 104.173 -2.262 35.514 1.00 58.14 ? 241 ASN A CG 1 ATOM 1848 O OD1 . ASN A 1 241 ? 103.534 -3.246 35.105 1.00 58.42 ? 241 ASN A OD1 1 ATOM 1849 N ND2 . ASN A 1 241 ? 103.651 -1.352 36.352 1.00 64.61 ? 241 ASN A ND2 1 ATOM 1850 N N . ARG A 1 242 ? 106.451 0.388 33.136 1.00 49.97 ? 242 ARG A N 1 ATOM 1851 C CA . ARG A 1 242 ? 106.260 1.789 32.790 1.00 48.29 ? 242 ARG A CA 1 ATOM 1852 C C . ARG A 1 242 ? 106.221 1.939 31.285 1.00 47.85 ? 242 ARG A C 1 ATOM 1853 O O . ARG A 1 242 ? 105.403 2.679 30.763 1.00 47.56 ? 242 ARG A O 1 ATOM 1854 C CB . ARG A 1 242 ? 107.340 2.668 33.442 1.00 47.86 ? 242 ARG A CB 1 ATOM 1855 C CG . ARG A 1 242 ? 107.349 2.517 34.933 1.00 45.51 ? 242 ARG A CG 1 ATOM 1856 C CD . ARG A 1 242 ? 108.449 3.285 35.653 1.00 47.79 ? 242 ARG A CD 1 ATOM 1857 N NE . ARG A 1 242 ? 108.400 3.105 37.113 1.00 43.29 ? 242 ARG A NE 1 ATOM 1858 C CZ . ARG A 1 242 ? 109.199 3.745 37.967 1.00 47.01 ? 242 ARG A CZ 1 ATOM 1859 N NH1 . ARG A 1 242 ? 110.128 4.593 37.534 1.00 43.46 ? 242 ARG A NH1 1 ATOM 1860 N NH2 . ARG A 1 242 ? 109.084 3.527 39.269 1.00 46.73 ? 242 ARG A NH2 1 ATOM 1861 N N . THR A 1 243 ? 107.082 1.205 30.596 1.00 48.30 ? 243 THR A N 1 ATOM 1862 C CA . THR A 1 243 ? 107.070 1.162 29.135 1.00 49.30 ? 243 THR A CA 1 ATOM 1863 C C . THR A 1 243 ? 105.723 0.656 28.591 1.00 50.27 ? 243 THR A C 1 ATOM 1864 O O . THR A 1 243 ? 105.183 1.234 27.658 1.00 50.50 ? 243 THR A O 1 ATOM 1865 C CB . THR A 1 243 ? 108.180 0.245 28.643 1.00 49.32 ? 243 THR A CB 1 ATOM 1866 O OG1 . THR A 1 243 ? 109.454 0.865 28.852 1.00 47.48 ? 243 THR A OG1 1 ATOM 1867 C CG2 . THR A 1 243 ? 108.093 0.029 27.113 1.00 49.73 ? 243 THR A CG2 1 ATOM 1868 N N . LEU A 1 244 ? 105.224 -0.442 29.166 1.00 51.44 ? 244 LEU A N 1 ATOM 1869 C CA . LEU A 1 244 ? 103.938 -1.051 28.783 1.00 52.30 ? 244 LEU A CA 1 ATOM 1870 C C . LEU A 1 244 ? 102.748 -0.208 29.195 1.00 52.47 ? 244 LEU A C 1 ATOM 1871 O O . LEU A 1 244 ? 101.767 -0.125 28.448 1.00 52.98 ? 244 LEU A O 1 ATOM 1872 C CB . LEU A 1 244 ? 103.771 -2.451 29.394 1.00 52.43 ? 244 LEU A CB 1 ATOM 1873 C CG . LEU A 1 244 ? 104.760 -3.543 29.002 1.00 52.98 ? 244 LEU A CG 1 ATOM 1874 C CD1 . LEU A 1 244 ? 104.397 -4.862 29.718 1.00 53.98 ? 244 LEU A CD1 1 ATOM 1875 C CD2 . LEU A 1 244 ? 104.847 -3.673 27.490 1.00 55.12 ? 244 LEU A CD2 1 ATOM 1876 N N . ASN A 1 245 ? 102.816 0.397 30.381 1.00 52.55 ? 245 ASN A N 1 ATOM 1877 C CA . ASN A 1 245 ? 101.826 1.408 30.769 1.00 52.79 ? 245 ASN A CA 1 ATOM 1878 C C . ASN A 1 245 ? 101.743 2.582 29.807 1.00 52.86 ? 245 ASN A C 1 ATOM 1879 O O . ASN A 1 245 ? 100.635 3.017 29.452 1.00 52.79 ? 245 ASN A O 1 ATOM 1880 C CB . ASN A 1 245 ? 102.050 1.905 32.199 1.00 52.96 ? 245 ASN A CB 1 ATOM 1881 C CG . ASN A 1 245 ? 101.663 0.877 33.223 1.00 55.21 ? 245 ASN A CG 1 ATOM 1882 O OD1 . ASN A 1 245 ? 101.097 -0.174 32.876 1.00 57.18 ? 245 ASN A OD1 1 ATOM 1883 N ND2 . ASN A 1 245 ? 101.964 1.153 34.498 1.00 54.84 ? 245 ASN A ND2 1 ATOM 1884 N N . LEU A 1 246 ? 102.906 3.098 29.392 1.00 52.46 ? 246 LEU A N 1 ATOM 1885 C CA . LEU A 1 246 ? 102.963 4.148 28.385 1.00 52.48 ? 246 LEU A CA 1 ATOM 1886 C C . LEU A 1 246 ? 102.350 3.687 27.041 1.00 52.86 ? 246 LEU A C 1 ATOM 1887 O O . LEU A 1 246 ? 101.684 4.463 26.390 1.00 51.55 ? 246 LEU A O 1 ATOM 1888 C CB . LEU A 1 246 ? 104.408 4.657 28.169 1.00 52.29 ? 246 LEU A CB 1 ATOM 1889 C CG . LEU A 1 246 ? 104.567 5.909 27.270 1.00 52.20 ? 246 LEU A CG 1 ATOM 1890 C CD1 . LEU A 1 246 ? 103.880 7.125 27.867 1.00 50.47 ? 246 LEU A CD1 1 ATOM 1891 C CD2 . LEU A 1 246 ? 106.015 6.239 26.980 1.00 52.02 ? 246 LEU A CD2 1 ATOM 1892 N N . ALA A 1 247 ? 102.614 2.440 26.637 1.00 53.59 ? 247 ALA A N 1 ATOM 1893 C CA . ALA A 1 247 ? 102.031 1.845 25.419 1.00 54.84 ? 247 ALA A CA 1 ATOM 1894 C C . ALA A 1 247 ? 100.507 1.791 25.543 1.00 55.48 ? 247 ALA A C 1 ATOM 1895 O O . ALA A 1 247 ? 99.784 2.294 24.689 1.00 56.08 ? 247 ALA A O 1 ATOM 1896 C CB . ALA A 1 247 ? 102.582 0.454 25.190 1.00 54.58 ? 247 ALA A CB 1 ATOM 1897 N N . LYS A 1 248 ? 100.030 1.246 26.650 1.00 55.90 ? 248 LYS A N 1 ATOM 1898 C CA . LYS A 1 248 ? 98.619 1.268 26.949 1.00 56.57 ? 248 LYS A CA 1 ATOM 1899 C C . LYS A 1 248 ? 98.025 2.670 26.767 1.00 56.65 ? 248 LYS A C 1 ATOM 1900 O O . LYS A 1 248 ? 97.070 2.844 26.003 1.00 57.24 ? 248 LYS A O 1 ATOM 1901 C CB . LYS A 1 248 ? 98.361 0.744 28.356 1.00 56.74 ? 248 LYS A CB 1 ATOM 1902 C CG . LYS A 1 248 ? 96.890 0.489 28.646 1.00 59.64 ? 248 LYS A CG 1 ATOM 1903 C CD . LYS A 1 248 ? 96.699 -0.379 29.893 1.00 62.04 ? 248 LYS A CD 1 ATOM 1904 C CE . LYS A 1 248 ? 95.328 -1.100 29.841 1.00 65.00 ? 248 LYS A CE 1 ATOM 1905 N NZ . LYS A 1 248 ? 94.167 -0.135 29.889 1.00 63.25 ? 248 LYS A NZ 1 ATOM 1906 N N . LEU A 1 249 ? 98.603 3.666 27.439 1.00 55.68 ? 249 LEU A N 1 ATOM 1907 C CA . LEU A 1 249 ? 98.036 5.018 27.479 1.00 54.18 ? 249 LEU A CA 1 ATOM 1908 C C . LEU A 1 249 ? 98.031 5.750 26.137 1.00 53.69 ? 249 LEU A C 1 ATOM 1909 O O . LEU A 1 249 ? 97.317 6.746 25.965 1.00 53.54 ? 249 LEU A O 1 ATOM 1910 C CB . LEU A 1 249 ? 98.742 5.863 28.551 1.00 53.93 ? 249 LEU A CB 1 ATOM 1911 C CG . LEU A 1 249 ? 98.420 5.501 30.007 1.00 54.02 ? 249 LEU A CG 1 ATOM 1912 C CD1 . LEU A 1 249 ? 99.569 5.828 30.962 1.00 55.22 ? 249 LEU A CD1 1 ATOM 1913 C CD2 . LEU A 1 249 ? 97.159 6.202 30.456 1.00 55.13 ? 249 LEU A CD2 1 ATOM 1914 N N . THR A 1 250 ? 98.822 5.265 25.192 1.00 53.31 ? 250 THR A N 1 ATOM 1915 C CA . THR A 1 250 ? 98.922 5.868 23.861 1.00 53.74 ? 250 THR A CA 1 ATOM 1916 C C . THR A 1 250 ? 98.296 4.999 22.750 1.00 54.70 ? 250 THR A C 1 ATOM 1917 O O . THR A 1 250 ? 98.443 5.298 21.551 1.00 54.64 ? 250 THR A O 1 ATOM 1918 C CB . THR A 1 250 ? 100.415 6.135 23.504 1.00 53.24 ? 250 THR A CB 1 ATOM 1919 O OG1 . THR A 1 250 ? 101.165 4.917 23.648 1.00 51.34 ? 250 THR A OG1 1 ATOM 1920 C CG2 . THR A 1 250 ? 101.064 7.130 24.471 1.00 51.58 ? 250 THR A CG2 1 ATOM 1921 N N . GLY A 1 251 ? 97.624 3.920 23.145 1.00 55.95 ? 251 GLY A N 1 ATOM 1922 C CA . GLY A 1 251 ? 97.054 2.967 22.185 1.00 56.90 ? 251 GLY A CA 1 ATOM 1923 C C . GLY A 1 251 ? 98.081 2.099 21.487 1.00 58.06 ? 251 GLY A C 1 ATOM 1924 O O . GLY A 1 251 ? 97.823 1.553 20.401 1.00 57.42 ? 251 GLY A O 1 ATOM 1925 N N . CYS A 1 252 ? 99.238 1.943 22.122 1.00 58.28 ? 252 CYS A N 1 ATOM 1926 C CA . CYS A 1 252 ? 100.347 1.257 21.501 1.00 59.41 ? 252 CYS A CA 1 ATOM 1927 C C . CYS A 1 252 ? 100.589 -0.142 22.036 1.00 60.71 ? 252 CYS A C 1 ATOM 1928 O O . CYS A 1 252 ? 101.577 -0.776 21.644 1.00 60.78 ? 252 CYS A O 1 ATOM 1929 C CB . CYS A 1 252 ? 101.628 2.094 21.611 1.00 59.02 ? 252 CYS A CB 1 ATOM 1930 S SG . CYS A 1 252 ? 101.711 3.460 20.437 1.00 58.22 ? 252 CYS A SG 1 ATOM 1931 N N . SER A 1 253 ? 99.705 -0.631 22.915 1.00 62.38 ? 253 SER A N 1 ATOM 1932 C CA . SER A 1 253 ? 99.819 -2.007 23.422 1.00 63.90 ? 253 SER A CA 1 ATOM 1933 C C . SER A 1 253 ? 99.808 -3.008 22.263 1.00 65.41 ? 253 SER A C 1 ATOM 1934 O O . SER A 1 253 ? 98.937 -2.963 21.385 1.00 65.64 ? 253 SER A O 1 ATOM 1935 C CB . SER A 1 253 ? 98.723 -2.341 24.428 1.00 63.77 ? 253 SER A CB 1 ATOM 1936 O OG . SER A 1 253 ? 98.672 -1.379 25.460 1.00 63.08 ? 253 SER A OG 1 ATOM 1937 N N . ARG A 1 254 ? 100.813 -3.877 22.242 1.00 66.93 ? 254 ARG A N 1 ATOM 1938 C CA . ARG A 1 254 ? 100.995 -4.807 21.138 1.00 68.45 ? 254 ARG A CA 1 ATOM 1939 C C . ARG A 1 254 ? 101.508 -6.136 21.646 1.00 70.22 ? 254 ARG A C 1 ATOM 1940 O O . ARG A 1 254 ? 102.133 -6.228 22.715 1.00 70.88 ? 254 ARG A O 1 ATOM 1941 C CB . ARG A 1 254 ? 101.991 -4.275 20.084 1.00 68.08 ? 254 ARG A CB 1 ATOM 1942 C CG . ARG A 1 254 ? 101.550 -3.071 19.274 1.00 66.64 ? 254 ARG A CG 1 ATOM 1943 C CD . ARG A 1 254 ? 100.374 -3.308 18.352 1.00 63.66 ? 254 ARG A CD 1 ATOM 1944 N NE . ARG A 1 254 ? 100.142 -2.147 17.496 1.00 62.13 ? 254 ARG A NE 1 ATOM 1945 C CZ . ARG A 1 254 ? 99.379 -1.104 17.815 1.00 59.85 ? 254 ARG A CZ 1 ATOM 1946 N NH1 . ARG A 1 254 ? 99.237 -0.101 16.961 1.00 56.65 ? 254 ARG A NH1 1 ATOM 1947 N NH2 . ARG A 1 254 ? 98.752 -1.063 18.978 1.00 58.60 ? 254 ARG A NH2 1 ATOM 1948 N N . GLU A 1 255 ? 101.258 -7.156 20.837 1.00 71.66 ? 255 GLU A N 1 ATOM 1949 C CA . GLU A 1 255 ? 101.770 -8.492 21.041 1.00 73.01 ? 255 GLU A CA 1 ATOM 1950 C C . GLU A 1 255 ? 103.309 -8.503 20.900 1.00 73.66 ? 255 GLU A C 1 ATOM 1951 O O . GLU A 1 255 ? 104.019 -9.024 21.770 1.00 73.93 ? 255 GLU A O 1 ATOM 1952 C CB . GLU A 1 255 ? 101.078 -9.426 20.031 1.00 73.36 ? 255 GLU A CB 1 ATOM 1953 C CG . GLU A 1 255 ? 100.449 -8.701 18.818 0.50 73.90 ? 255 GLU A CG 1 ATOM 1954 C CD . GLU A 1 255 ? 99.073 -8.063 19.091 0.50 74.18 ? 255 GLU A CD 1 ATOM 1955 O OE1 . GLU A 1 255 ? 98.284 -8.627 19.888 0.50 74.20 ? 255 GLU A OE1 1 ATOM 1956 O OE2 . GLU A 1 255 ? 98.761 -6.996 18.495 1.00 73.80 ? 255 GLU A OE2 1 ATOM 1957 N N . ASN A 1 256 ? 103.813 -7.895 19.824 1.00 73.93 ? 256 ASN A N 1 ATOM 1958 C CA . ASN A 1 256 ? 105.249 -7.821 19.541 1.00 74.04 ? 256 ASN A CA 1 ATOM 1959 C C . ASN A 1 256 ? 105.817 -6.538 20.162 1.00 73.15 ? 256 ASN A C 1 ATOM 1960 O O . ASN A 1 256 ? 105.277 -5.441 19.943 1.00 73.20 ? 256 ASN A O 1 ATOM 1961 C CB . ASN A 1 256 ? 105.470 -7.846 18.015 1.00 74.92 ? 256 ASN A CB 1 ATOM 1962 C CG . ASN A 1 256 ? 106.937 -8.046 17.609 1.00 79.11 ? 256 ASN A CG 1 ATOM 1963 O OD1 . ASN A 1 256 ? 107.818 -7.256 17.960 1.00 81.26 ? 256 ASN A OD1 1 ATOM 1964 N ND2 . ASN A 1 256 ? 107.191 -9.108 16.833 1.00 85.38 ? 256 ASN A ND2 1 ATOM 1965 N N . GLU A 1 257 ? 106.894 -6.682 20.940 1.00 71.37 ? 257 GLU A N 1 ATOM 1966 C CA . GLU A 1 257 ? 107.534 -5.549 21.612 1.00 69.64 ? 257 GLU A CA 1 ATOM 1967 C C . GLU A 1 257 ? 108.199 -4.585 20.633 1.00 68.65 ? 257 GLU A C 1 ATOM 1968 O O . GLU A 1 257 ? 108.226 -3.374 20.874 1.00 68.50 ? 257 GLU A O 1 ATOM 1969 C CB . GLU A 1 257 ? 108.528 -6.020 22.686 0.80 69.69 ? 257 GLU A CB 1 ATOM 1970 C CG . GLU A 1 257 ? 107.842 -6.684 23.873 0.80 69.60 ? 257 GLU A CG 1 ATOM 1971 C CD . GLU A 1 257 ? 108.751 -6.945 25.065 1.00 70.14 ? 257 GLU A CD 1 ATOM 1972 O OE1 . GLU A 1 257 ? 109.993 -6.788 24.953 1.00 69.39 ? 257 GLU A OE1 1 ATOM 1973 O OE2 . GLU A 1 257 ? 108.204 -7.323 26.128 1.00 69.63 ? 257 GLU A OE2 1 ATOM 1974 N N . THR A 1 258 ? 108.714 -5.110 19.523 1.00 67.02 ? 258 THR A N 1 ATOM 1975 C CA . THR A 1 258 ? 109.312 -4.259 18.506 1.00 65.70 ? 258 THR A CA 1 ATOM 1976 C C . THR A 1 258 ? 108.209 -3.446 17.820 1.00 64.63 ? 258 THR A C 1 ATOM 1977 O O . THR A 1 258 ? 108.478 -2.386 17.232 1.00 64.24 ? 258 THR A O 1 ATOM 1978 C CB . THR A 1 258 ? 110.188 -5.082 17.518 1.00 65.98 ? 258 THR A CB 1 ATOM 1979 O OG1 . THR A 1 258 ? 111.404 -5.467 18.177 1.00 65.86 ? 258 THR A OG1 1 ATOM 1980 C CG2 . THR A 1 258 ? 110.707 -4.215 16.358 0.80 66.76 ? 258 THR A CG2 1 ATOM 1981 N N . GLU A 1 259 ? 106.969 -3.934 17.940 1.00 62.78 ? 259 GLU A N 1 ATOM 1982 C CA . GLU A 1 259 ? 105.800 -3.206 17.442 1.00 60.96 ? 259 GLU A CA 1 ATOM 1983 C C . GLU A 1 259 ? 105.230 -2.200 18.451 1.00 58.54 ? 259 GLU A C 1 ATOM 1984 O O . GLU A 1 259 ? 104.561 -1.255 18.075 1.00 57.72 ? 259 GLU A O 1 ATOM 1985 C CB . GLU A 1 259 ? 104.708 -4.172 16.970 1.00 61.46 ? 259 GLU A CB 1 ATOM 1986 C CG . GLU A 1 259 ? 105.117 -5.023 15.772 0.50 64.02 ? 259 GLU A CG 1 ATOM 1987 C CD . GLU A 1 259 ? 103.918 -5.557 15.016 1.00 67.41 ? 259 GLU A CD 1 ATOM 1988 O OE1 . GLU A 1 259 ? 103.868 -6.775 14.729 1.00 68.15 ? 259 GLU A OE1 1 ATOM 1989 O OE2 . GLU A 1 259 ? 103.012 -4.742 14.722 1.00 69.86 ? 259 GLU A OE2 1 ATOM 1990 N N . ILE A 1 260 ? 105.475 -2.385 19.734 1.00 56.89 ? 260 ILE A N 1 ATOM 1991 C CA . ILE A 1 260 ? 105.154 -1.288 20.650 1.00 55.63 ? 260 ILE A CA 1 ATOM 1992 C C . ILE A 1 260 ? 106.001 -0.079 20.255 1.00 54.25 ? 260 ILE A C 1 ATOM 1993 O O . ILE A 1 260 ? 105.456 1.004 20.069 1.00 54.47 ? 260 ILE A O 1 ATOM 1994 C CB . ILE A 1 260 ? 105.342 -1.655 22.136 1.00 55.23 ? 260 ILE A CB 1 ATOM 1995 C CG1 . ILE A 1 260 ? 104.476 -2.853 22.498 1.00 55.16 ? 260 ILE A CG1 1 ATOM 1996 C CG2 . ILE A 1 260 ? 104.976 -0.468 23.019 0.50 55.36 ? 260 ILE A CG2 1 ATOM 1997 C CD1 . ILE A 1 260 ? 105.016 -3.675 23.638 0.50 55.34 ? 260 ILE A CD1 1 ATOM 1998 N N . ILE A 1 261 ? 107.311 -0.276 20.088 1.00 53.04 ? 261 ILE A N 1 ATOM 1999 C CA . ILE A 1 261 ? 108.229 0.831 19.770 1.00 52.76 ? 261 ILE A CA 1 ATOM 2000 C C . ILE A 1 261 ? 107.897 1.525 18.446 1.00 52.55 ? 261 ILE A C 1 ATOM 2001 O O . ILE A 1 261 ? 107.833 2.754 18.396 1.00 52.27 ? 261 ILE A O 1 ATOM 2002 C CB . ILE A 1 261 ? 109.750 0.410 19.839 1.00 52.62 ? 261 ILE A CB 1 ATOM 2003 C CG1 . ILE A 1 261 ? 110.094 -0.237 21.193 1.00 52.26 ? 261 ILE A CG1 1 ATOM 2004 C CG2 . ILE A 1 261 ? 110.669 1.602 19.567 1.00 52.26 ? 261 ILE A CG2 1 ATOM 2005 C CD1 . ILE A 1 261 ? 109.564 0.545 22.456 0.50 49.72 ? 261 ILE A CD1 1 ATOM 2006 N N . LYS A 1 262 ? 107.704 0.741 17.379 1.00 52.85 ? 262 LYS A N 1 ATOM 2007 C CA . LYS A 1 262 ? 107.286 1.291 16.082 1.00 52.46 ? 262 LYS A CA 1 ATOM 2008 C C . LYS A 1 262 ? 106.044 2.186 16.256 1.00 52.24 ? 262 LYS A C 1 ATOM 2009 O O . LYS A 1 262 ? 106.002 3.323 15.751 1.00 51.93 ? 262 LYS A O 1 ATOM 2010 C CB . LYS A 1 262 ? 107.029 0.166 15.078 1.00 52.66 ? 262 LYS A CB 1 ATOM 2011 C CG . LYS A 1 262 ? 106.954 0.634 13.621 0.50 52.14 ? 262 LYS A CG 1 ATOM 2012 C CD . LYS A 1 262 ? 106.615 -0.513 12.674 0.10 51.71 ? 262 LYS A CD 1 ATOM 2013 C CE . LYS A 1 262 ? 106.670 -0.052 11.226 0.10 51.79 ? 262 LYS A CE 1 ATOM 2014 N NZ . LYS A 1 262 ? 106.407 -1.191 10.265 0.10 51.11 ? 262 LYS A NZ 1 ATOM 2015 N N . CYS A 1 263 ? 105.070 1.697 17.022 1.00 51.95 ? 263 CYS A N 1 ATOM 2016 C CA . CYS A 1 263 ? 103.874 2.477 17.279 1.00 53.02 ? 263 CYS A CA 1 ATOM 2017 C C . CYS A 1 263 ? 104.220 3.792 18.000 1.00 52.54 ? 263 CYS A C 1 ATOM 2018 O O . CYS A 1 263 ? 103.805 4.862 17.551 1.00 52.17 ? 263 CYS A O 1 ATOM 2019 C CB . CYS A 1 263 ? 102.837 1.658 18.051 1.00 53.24 ? 263 CYS A CB 1 ATOM 2020 S SG . CYS A 1 263 ? 101.387 2.613 18.585 1.00 56.27 ? 263 CYS A SG 1 ATOM 2021 N N . LEU A 1 264 ? 104.999 3.700 19.097 1.00 51.68 ? 264 LEU A N 1 ATOM 2022 C CA . LEU A 1 264 ? 105.444 4.885 19.876 1.00 49.80 ? 264 LEU A CA 1 ATOM 2023 C C . LEU A 1 264 ? 106.223 5.889 19.019 1.00 49.47 ? 264 LEU A C 1 ATOM 2024 O O . LEU A 1 264 ? 106.185 7.082 19.252 1.00 49.30 ? 264 LEU A O 1 ATOM 2025 C CB . LEU A 1 264 ? 106.227 4.459 21.122 1.00 49.28 ? 264 LEU A CB 1 ATOM 2026 C CG . LEU A 1 264 ? 105.415 3.968 22.339 1.00 48.85 ? 264 LEU A CG 1 ATOM 2027 C CD1 . LEU A 1 264 ? 106.319 3.280 23.345 1.00 46.08 ? 264 LEU A CD1 1 ATOM 2028 C CD2 . LEU A 1 264 ? 104.617 5.096 23.065 1.00 49.28 ? 264 LEU A CD2 1 ATOM 2029 N N . ARG A 1 265 ? 106.910 5.404 17.999 1.00 48.58 ? 265 ARG A N 1 ATOM 2030 C CA . ARG A 1 265 ? 107.604 6.287 17.111 1.00 48.60 ? 265 ARG A CA 1 ATOM 2031 C C . ARG A 1 265 ? 106.682 7.094 16.188 1.00 49.53 ? 265 ARG A C 1 ATOM 2032 O O . ARG A 1 265 ? 107.130 8.064 15.568 1.00 49.43 ? 265 ARG A O 1 ATOM 2033 C CB . ARG A 1 265 ? 108.601 5.492 16.291 1.00 48.98 ? 265 ARG A CB 1 ATOM 2034 C CG . ARG A 1 265 ? 109.830 5.068 17.084 1.00 48.88 ? 265 ARG A CG 1 ATOM 2035 C CD . ARG A 1 265 ? 111.055 4.894 16.229 1.00 53.20 ? 265 ARG A CD 1 ATOM 2036 N NE . ARG A 1 265 ? 111.515 3.529 16.388 1.00 59.00 ? 265 ARG A NE 1 ATOM 2037 C CZ . ARG A 1 265 ? 111.180 2.506 15.597 1.00 60.36 ? 265 ARG A CZ 1 ATOM 2038 N NH1 . ARG A 1 265 ? 111.648 1.309 15.891 1.00 57.28 ? 265 ARG A NH1 1 ATOM 2039 N NH2 . ARG A 1 265 ? 110.411 2.677 14.510 1.00 61.39 ? 265 ARG A NH2 1 ATOM 2040 N N . ASN A 1 266 ? 105.411 6.690 16.084 1.00 50.34 ? 266 ASN A N 1 ATOM 2041 C CA . ASN A 1 266 ? 104.432 7.447 15.303 1.00 51.92 ? 266 ASN A CA 1 ATOM 2042 C C . ASN A 1 266 ? 103.725 8.492 16.101 1.00 51.72 ? 266 ASN A C 1 ATOM 2043 O O . ASN A 1 266 ? 103.127 9.385 15.532 1.00 52.80 ? 266 ASN A O 1 ATOM 2044 C CB . ASN A 1 266 ? 103.392 6.530 14.662 1.00 52.89 ? 266 ASN A CB 1 ATOM 2045 C CG . ASN A 1 266 ? 103.928 5.820 13.472 1.00 56.51 ? 266 ASN A CG 1 ATOM 2046 O OD1 . ASN A 1 266 ? 104.826 6.331 12.789 1.00 61.21 ? 266 ASN A OD1 1 ATOM 2047 N ND2 . ASN A 1 266 ? 103.400 4.617 13.204 1.00 61.53 ? 266 ASN A ND2 1 ATOM 2048 N N . LYS A 1 267 ? 103.775 8.380 17.424 1.00 52.28 ? 267 LYS A N 1 ATOM 2049 C CA . LYS A 1 267 ? 103.142 9.357 18.307 1.00 52.03 ? 267 LYS A CA 1 ATOM 2050 C C . LYS A 1 267 ? 103.793 10.728 18.200 1.00 51.55 ? 267 LYS A C 1 ATOM 2051 O O . LYS A 1 267 ? 104.971 10.825 17.885 1.00 51.52 ? 267 LYS A O 1 ATOM 2052 C CB . LYS A 1 267 ? 103.110 8.824 19.751 1.00 52.40 ? 267 LYS A CB 1 ATOM 2053 C CG . LYS A 1 267 ? 102.211 7.587 19.926 1.00 53.05 ? 267 LYS A CG 1 ATOM 2054 C CD . LYS A 1 267 ? 100.732 8.019 20.004 1.00 58.81 ? 267 LYS A CD 1 ATOM 2055 C CE . LYS A 1 267 ? 99.759 7.192 19.151 1.00 62.30 ? 267 LYS A CE 1 ATOM 2056 N NZ . LYS A 1 267 ? 98.470 7.955 18.942 1.00 65.88 ? 267 LYS A NZ 1 ATOM 2057 N N . ASP A 1 268 ? 103.007 11.797 18.390 1.00 51.51 ? 268 ASP A N 1 ATOM 2058 C CA . ASP A 1 268 ? 103.581 13.131 18.503 1.00 50.85 ? 268 ASP A CA 1 ATOM 2059 C C . ASP A 1 268 ? 104.380 13.172 19.818 1.00 49.97 ? 268 ASP A C 1 ATOM 2060 O O . ASP A 1 268 ? 103.877 12.694 20.853 1.00 49.85 ? 268 ASP A O 1 ATOM 2061 C CB . ASP A 1 268 ? 102.511 14.237 18.580 1.00 51.11 ? 268 ASP A CB 1 ATOM 2062 C CG . ASP A 1 268 ? 101.755 14.447 17.263 0.50 52.19 ? 268 ASP A CG 1 ATOM 2063 O OD1 . ASP A 1 268 ? 100.542 14.726 17.350 0.50 52.91 ? 268 ASP A OD1 1 ATOM 2064 O OD2 . ASP A 1 268 ? 102.268 14.371 16.119 0.50 50.97 ? 268 ASP A OD2 1 ATOM 2065 N N . PRO A 1 269 ? 105.561 13.798 19.801 1.00 48.99 ? 269 PRO A N 1 ATOM 2066 C CA . PRO A 1 269 ? 106.376 13.941 21.017 1.00 48.51 ? 269 PRO A CA 1 ATOM 2067 C C . PRO A 1 269 ? 105.514 14.399 22.177 1.00 48.03 ? 269 PRO A C 1 ATOM 2068 O O . PRO A 1 269 ? 105.659 13.920 23.295 1.00 47.36 ? 269 PRO A O 1 ATOM 2069 C CB . PRO A 1 269 ? 107.389 15.033 20.651 1.00 48.87 ? 269 PRO A CB 1 ATOM 2070 C CG . PRO A 1 269 ? 107.234 15.334 19.196 1.00 48.45 ? 269 PRO A CG 1 ATOM 2071 C CD . PRO A 1 269 ? 106.214 14.397 18.622 1.00 49.02 ? 269 PRO A CD 1 ATOM 2072 N N . GLN A 1 270 ? 104.571 15.294 21.876 1.00 47.89 ? 270 GLN A N 1 ATOM 2073 C CA . GLN A 1 270 ? 103.715 15.936 22.866 1.00 47.49 ? 270 GLN A CA 1 ATOM 2074 C C . GLN A 1 270 ? 102.755 14.927 23.480 1.00 47.06 ? 270 GLN A C 1 ATOM 2075 O O . GLN A 1 270 ? 102.382 15.056 24.633 1.00 46.77 ? 270 GLN A O 1 ATOM 2076 C CB . GLN A 1 270 ? 102.997 17.146 22.211 1.00 48.56 ? 270 GLN A CB 1 ATOM 2077 C CG . GLN A 1 270 ? 102.351 18.145 23.149 1.00 50.29 ? 270 GLN A CG 1 ATOM 2078 C CD . GLN A 1 270 ? 103.262 18.601 24.280 1.00 56.65 ? 270 GLN A CD 1 ATOM 2079 O OE1 . GLN A 1 270 ? 104.380 19.113 24.033 1.00 57.01 ? 270 GLN A OE1 1 ATOM 2080 N NE2 . GLN A 1 270 ? 102.788 18.436 25.531 1.00 56.07 ? 270 GLN A NE2 1 ATOM 2081 N N . GLU A 1 271 ? 102.413 13.868 22.743 1.00 47.50 ? 271 GLU A N 1 ATOM 2082 C CA . GLU A 1 271 ? 101.539 12.834 23.297 1.00 48.33 ? 271 GLU A CA 1 ATOM 2083 C C . GLU A 1 271 ? 102.320 11.887 24.205 1.00 47.66 ? 271 GLU A C 1 ATOM 2084 O O . GLU A 1 271 ? 101.772 11.348 25.167 1.00 47.58 ? 271 GLU A O 1 ATOM 2085 C CB . GLU A 1 271 ? 100.807 12.015 22.201 1.00 48.71 ? 271 GLU A CB 1 ATOM 2086 C CG . GLU A 1 271 ? 100.011 10.840 22.802 1.00 52.19 ? 271 GLU A CG 1 ATOM 2087 C CD . GLU A 1 271 ? 98.963 10.188 21.874 0.50 56.51 ? 271 GLU A CD 1 ATOM 2088 O OE1 . GLU A 1 271 ? 99.012 10.372 20.615 1.00 56.11 ? 271 GLU A OE1 1 ATOM 2089 O OE2 . GLU A 1 271 ? 98.094 9.446 22.427 1.00 58.50 ? 271 GLU A OE2 1 ATOM 2090 N N . ILE A 1 272 ? 103.583 11.640 23.869 1.00 46.65 ? 272 ILE A N 1 ATOM 2091 C CA . ILE A 1 272 ? 104.448 10.865 24.780 1.00 46.30 ? 272 ILE A CA 1 ATOM 2092 C C . ILE A 1 272 ? 104.630 11.623 26.092 1.00 45.59 ? 272 ILE A C 1 ATOM 2093 O O . ILE A 1 272 ? 104.426 11.053 27.156 1.00 46.76 ? 272 ILE A O 1 ATOM 2094 C CB . ILE A 1 272 ? 105.778 10.533 24.081 1.00 45.94 ? 272 ILE A CB 1 ATOM 2095 C CG1 . ILE A 1 272 ? 105.543 9.398 23.085 1.00 45.73 ? 272 ILE A CG1 1 ATOM 2096 C CG2 . ILE A 1 272 ? 106.877 10.133 25.091 1.00 45.71 ? 272 ILE A CG2 1 ATOM 2097 C CD1 . ILE A 1 272 ? 106.550 9.400 21.950 1.00 46.55 ? 272 ILE A CD1 1 ATOM 2098 N N . LEU A 1 273 ? 104.930 12.921 26.009 1.00 45.42 ? 273 LEU A N 1 ATOM 2099 C CA . LEU A 1 273 ? 105.072 13.764 27.206 1.00 44.99 ? 273 LEU A CA 1 ATOM 2100 C C . LEU A 1 273 ? 103.856 13.755 28.132 1.00 45.94 ? 273 LEU A C 1 ATOM 2101 O O . LEU A 1 273 ? 104.003 13.557 29.373 1.00 45.19 ? 273 LEU A O 1 ATOM 2102 C CB . LEU A 1 273 ? 105.459 15.209 26.844 1.00 44.33 ? 273 LEU A CB 1 ATOM 2103 C CG . LEU A 1 273 ? 106.864 15.450 26.298 1.00 43.17 ? 273 LEU A CG 1 ATOM 2104 C CD1 . LEU A 1 273 ? 107.007 16.873 25.851 1.00 42.82 ? 273 LEU A CD1 1 ATOM 2105 C CD2 . LEU A 1 273 ? 108.007 15.090 27.330 1.00 41.46 ? 273 LEU A CD2 1 ATOM 2106 N N . LEU A 1 274 ? 102.656 13.949 27.556 1.00 46.80 ? 274 LEU A N 1 ATOM 2107 C CA . LEU A 1 274 ? 101.411 13.983 28.356 1.00 46.94 ? 274 LEU A CA 1 ATOM 2108 C C . LEU A 1 274 ? 101.211 12.712 29.178 1.00 46.54 ? 274 LEU A C 1 ATOM 2109 O O . LEU A 1 274 ? 100.716 12.765 30.304 1.00 46.42 ? 274 LEU A O 1 ATOM 2110 C CB . LEU A 1 274 ? 100.164 14.199 27.461 1.00 47.93 ? 274 LEU A CB 1 ATOM 2111 C CG . LEU A 1 274 ? 99.680 15.597 27.018 0.70 49.57 ? 274 LEU A CG 1 ATOM 2112 C CD1 . LEU A 1 274 ? 100.686 16.733 27.184 0.50 49.43 ? 274 LEU A CD1 1 ATOM 2113 C CD2 . LEU A 1 274 ? 99.154 15.551 25.560 0.50 49.79 ? 274 LEU A CD2 1 ATOM 2114 N N . ASN A 1 275 ? 101.585 11.564 28.623 1.00 47.15 ? 275 ASN A N 1 ATOM 2115 C CA . ASN A 1 275 ? 101.383 10.307 29.348 1.00 47.94 ? 275 ASN A CA 1 ATOM 2116 C C . ASN A 1 275 ? 102.490 9.786 30.308 1.00 48.66 ? 275 ASN A C 1 ATOM 2117 O O . ASN A 1 275 ? 102.263 8.810 31.033 1.00 48.83 ? 275 ASN A O 1 ATOM 2118 C CB . ASN A 1 275 ? 100.936 9.225 28.373 1.00 48.72 ? 275 ASN A CB 1 ATOM 2119 C CG . ASN A 1 275 ? 99.551 9.514 27.808 1.00 49.40 ? 275 ASN A CG 1 ATOM 2120 O OD1 . ASN A 1 275 ? 99.414 9.994 26.677 1.00 51.62 ? 275 ASN A OD1 1 ATOM 2121 N ND2 . ASN A 1 275 ? 98.533 9.282 28.621 1.00 47.25 ? 275 ASN A ND2 1 ATOM 2122 N N . GLU A 1 276 ? 103.658 10.436 30.315 1.00 48.70 ? 276 GLU A N 1 ATOM 2123 C CA . GLU A 1 276 ? 104.760 10.048 31.201 1.00 49.39 ? 276 GLU A CA 1 ATOM 2124 C C . GLU A 1 276 ? 104.356 10.083 32.662 1.00 50.46 ? 276 GLU A C 1 ATOM 2125 O O . GLU A 1 276 ? 104.734 9.192 33.416 1.00 50.72 ? 276 GLU A O 1 ATOM 2126 C CB . GLU A 1 276 ? 105.972 10.967 31.011 1.00 49.22 ? 276 GLU A CB 1 ATOM 2127 C CG . GLU A 1 276 ? 106.734 10.743 29.715 1.00 49.01 ? 276 GLU A CG 1 ATOM 2128 C CD . GLU A 1 276 ? 107.922 11.681 29.558 1.00 47.13 ? 276 GLU A CD 1 ATOM 2129 O OE1 . GLU A 1 276 ? 108.161 12.562 30.419 1.00 47.21 ? 276 GLU A OE1 1 ATOM 2130 O OE2 . GLU A 1 276 ? 108.607 11.577 28.540 1.00 49.13 ? 276 GLU A OE2 1 ATOM 2131 N N . ALA A 1 277 ? 103.590 11.104 33.058 1.00 51.44 ? 277 ALA A N 1 ATOM 2132 C CA . ALA A 1 277 ? 103.230 11.303 34.457 1.00 53.34 ? 277 ALA A CA 1 ATOM 2133 C C . ALA A 1 277 ? 102.488 10.100 35.052 1.00 55.10 ? 277 ALA A C 1 ATOM 2134 O O . ALA A 1 277 ? 102.700 9.720 36.217 1.00 55.03 ? 277 ALA A O 1 ATOM 2135 C CB . ALA A 1 277 ? 102.422 12.550 34.603 1.00 54.31 ? 277 ALA A CB 1 ATOM 2136 N N . PHE A 1 278 ? 101.678 9.446 34.220 1.00 56.33 ? 278 PHE A N 1 ATOM 2137 C CA . PHE A 1 278 ? 100.758 8.414 34.702 1.00 56.61 ? 278 PHE A CA 1 ATOM 2138 C C . PHE A 1 278 ? 101.261 6.983 34.632 1.00 56.88 ? 278 PHE A C 1 ATOM 2139 O O . PHE A 1 278 ? 100.545 6.068 35.054 1.00 57.31 ? 278 PHE A O 1 ATOM 2140 C CB . PHE A 1 278 ? 99.447 8.543 33.947 1.00 57.04 ? 278 PHE A CB 1 ATOM 2141 C CG . PHE A 1 278 ? 98.938 9.925 33.916 1.00 57.68 ? 278 PHE A CG 1 ATOM 2142 C CD1 . PHE A 1 278 ? 99.154 10.723 32.809 1.00 60.83 ? 278 PHE A CD1 1 ATOM 2143 C CD2 . PHE A 1 278 ? 98.277 10.451 35.021 1.00 60.16 ? 278 PHE A CD2 1 ATOM 2144 C CE1 . PHE A 1 278 ? 98.696 12.032 32.788 1.00 62.56 ? 278 PHE A CE1 1 ATOM 2145 C CE2 . PHE A 1 278 ? 97.805 11.764 35.016 1.00 61.87 ? 278 PHE A CE2 1 ATOM 2146 C CZ . PHE A 1 278 ? 98.013 12.554 33.900 1.00 61.85 ? 278 PHE A CZ 1 ATOM 2147 N N . VAL A 1 279 ? 102.483 6.772 34.133 1.00 56.58 ? 279 VAL A N 1 ATOM 2148 C CA . VAL A 1 279 ? 102.974 5.408 33.932 1.00 56.55 ? 279 VAL A CA 1 ATOM 2149 C C . VAL A 1 279 ? 103.187 4.664 35.252 1.00 57.18 ? 279 VAL A C 1 ATOM 2150 O O . VAL A 1 279 ? 103.434 3.458 35.261 1.00 57.22 ? 279 VAL A O 1 ATOM 2151 C CB . VAL A 1 279 ? 104.220 5.331 32.984 1.00 57.10 ? 279 VAL A CB 1 ATOM 2152 C CG1 . VAL A 1 279 ? 103.891 5.942 31.620 1.00 54.61 ? 279 VAL A CG1 1 ATOM 2153 C CG2 . VAL A 1 279 ? 105.439 6.004 33.608 1.00 55.72 ? 279 VAL A CG2 1 ATOM 2154 N N . VAL A 1 280 ? 103.051 5.399 36.353 1.00 58.37 ? 280 VAL A N 1 ATOM 2155 C CA . VAL A 1 280 ? 103.110 4.866 37.714 1.00 59.28 ? 280 VAL A CA 1 ATOM 2156 C C . VAL A 1 280 ? 101.807 5.211 38.468 1.00 60.53 ? 280 VAL A C 1 ATOM 2157 O O . VAL A 1 280 ? 101.266 6.326 38.311 1.00 60.59 ? 280 VAL A O 1 ATOM 2158 C CB . VAL A 1 280 ? 104.348 5.423 38.508 1.00 59.75 ? 280 VAL A CB 1 ATOM 2159 C CG1 . VAL A 1 280 ? 105.668 4.821 37.993 1.00 59.46 ? 280 VAL A CG1 1 ATOM 2160 C CG2 . VAL A 1 280 ? 104.401 6.955 38.496 1.00 58.80 ? 280 VAL A CG2 1 ATOM 2161 N N . PRO A 1 281 ? 101.286 4.262 39.258 1.00 61.21 ? 281 PRO A N 1 ATOM 2162 C CA . PRO A 1 281 ? 100.058 4.485 40.046 1.00 61.90 ? 281 PRO A CA 1 ATOM 2163 C C . PRO A 1 281 ? 100.182 5.621 41.057 1.00 61.55 ? 281 PRO A C 1 ATOM 2164 O O . PRO A 1 281 ? 99.319 6.502 41.096 1.00 61.60 ? 281 PRO A O 1 ATOM 2165 C CB . PRO A 1 281 ? 99.853 3.147 40.780 1.00 62.32 ? 281 PRO A CB 1 ATOM 2166 C CG . PRO A 1 281 ? 101.228 2.500 40.764 1.00 62.39 ? 281 PRO A CG 1 ATOM 2167 C CD . PRO A 1 281 ? 101.791 2.892 39.422 1.00 61.61 ? 281 PRO A CD 1 ATOM 2168 N N . TYR A 1 282 ? 101.231 5.575 41.879 1.00 61.00 ? 282 TYR A N 1 ATOM 2169 C CA . TYR A 1 282 ? 101.539 6.648 42.826 1.00 60.16 ? 282 TYR A CA 1 ATOM 2170 C C . TYR A 1 282 ? 102.853 7.306 42.379 1.00 59.23 ? 282 TYR A C 1 ATOM 2171 O O . TYR A 1 282 ? 103.784 6.614 41.983 1.00 59.73 ? 282 TYR A O 1 ATOM 2172 C CB . TYR A 1 282 ? 101.666 6.093 44.259 1.00 60.46 ? 282 TYR A CB 1 ATOM 2173 C CG . TYR A 1 282 ? 100.521 5.197 44.695 0.50 60.85 ? 282 TYR A CG 1 ATOM 2174 C CD1 . TYR A 1 282 ? 99.293 5.735 45.082 0.10 60.89 ? 282 TYR A CD1 1 ATOM 2175 C CD2 . TYR A 1 282 ? 100.671 3.809 44.721 0.50 61.28 ? 282 TYR A CD2 1 ATOM 2176 C CE1 . TYR A 1 282 ? 98.240 4.914 45.482 0.10 60.97 ? 282 TYR A CE1 1 ATOM 2177 C CE2 . TYR A 1 282 ? 99.625 2.979 45.120 0.10 61.04 ? 282 TYR A CE2 1 ATOM 2178 C CZ . TYR A 1 282 ? 98.414 3.538 45.498 0.10 60.99 ? 282 TYR A CZ 1 ATOM 2179 O OH . TYR A 1 282 ? 97.377 2.722 45.892 0.10 60.71 ? 282 TYR A OH 1 ATOM 2180 N N . GLY A 1 283 ? 102.919 8.630 42.398 1.00 58.15 ? 283 GLY A N 1 ATOM 2181 C CA . GLY A 1 283 ? 104.201 9.322 42.182 1.00 55.60 ? 283 GLY A CA 1 ATOM 2182 C C . GLY A 1 283 ? 104.552 10.172 43.398 1.00 53.68 ? 283 GLY A C 1 ATOM 2183 O O . GLY A 1 283 ? 103.749 10.307 44.334 1.00 53.51 ? 283 GLY A O 1 ATOM 2184 N N . THR A 1 284 ? 105.751 10.737 43.403 1.00 50.84 ? 284 THR A N 1 ATOM 2185 C CA . THR A 1 284 ? 106.123 11.704 44.429 1.00 48.94 ? 284 THR A CA 1 ATOM 2186 C C . THR A 1 284 ? 106.761 12.936 43.759 1.00 47.37 ? 284 THR A C 1 ATOM 2187 O O . THR A 1 284 ? 107.040 12.923 42.543 1.00 46.34 ? 284 THR A O 1 ATOM 2188 C CB . THR A 1 284 ? 107.101 11.098 45.512 1.00 49.06 ? 284 THR A CB 1 ATOM 2189 O OG1 . THR A 1 284 ? 108.419 11.032 44.964 1.00 49.11 ? 284 THR A OG1 1 ATOM 2190 C CG2 . THR A 1 284 ? 106.762 9.663 45.873 1.00 48.38 ? 284 THR A CG2 1 ATOM 2191 N N . PRO A 1 285 ? 106.988 14.006 44.534 1.00 46.21 ? 285 PRO A N 1 ATOM 2192 C CA . PRO A 1 285 ? 107.714 15.180 44.014 1.00 45.18 ? 285 PRO A CA 1 ATOM 2193 C C . PRO A 1 285 ? 109.141 14.851 43.537 1.00 44.81 ? 285 PRO A C 1 ATOM 2194 O O . PRO A 1 285 ? 109.798 15.692 42.919 1.00 44.99 ? 285 PRO A O 1 ATOM 2195 C CB . PRO A 1 285 ? 107.774 16.092 45.228 1.00 45.02 ? 285 PRO A CB 1 ATOM 2196 C CG . PRO A 1 285 ? 106.577 15.700 46.016 1.00 45.07 ? 285 PRO A CG 1 ATOM 2197 C CD . PRO A 1 285 ? 106.526 14.215 45.922 1.00 45.24 ? 285 PRO A CD 1 ATOM 2198 N N . LEU A 1 286 ? 109.611 13.644 43.848 1.00 44.11 ? 286 LEU A N 1 ATOM 2199 C CA . LEU A 1 286 ? 110.968 13.188 43.510 1.00 42.87 ? 286 LEU A CA 1 ATOM 2200 C C . LEU A 1 286 ? 110.925 12.017 42.555 1.00 42.04 ? 286 LEU A C 1 ATOM 2201 O O . LEU A 1 286 ? 111.946 11.371 42.324 1.00 41.69 ? 286 LEU A O 1 ATOM 2202 C CB . LEU A 1 286 ? 111.725 12.787 44.785 1.00 43.43 ? 286 LEU A CB 1 ATOM 2203 C CG . LEU A 1 286 ? 112.380 13.995 45.442 1.00 43.91 ? 286 LEU A CG 1 ATOM 2204 C CD1 . LEU A 1 286 ? 112.234 13.933 46.934 1.00 44.23 ? 286 LEU A CD1 1 ATOM 2205 C CD2 . LEU A 1 286 ? 113.827 14.052 45.018 1.00 45.35 ? 286 LEU A CD2 1 ATOM 2206 N N . SER A 1 287 ? 109.756 11.769 41.955 1.00 40.85 ? 287 SER A N 1 ATOM 2207 C CA . SER A 1 287 ? 109.603 10.657 40.998 1.00 39.69 ? 287 SER A CA 1 ATOM 2208 C C . SER A 1 287 ? 110.517 10.800 39.798 1.00 38.48 ? 287 SER A C 1 ATOM 2209 O O . SER A 1 287 ? 110.686 11.871 39.239 1.00 38.82 ? 287 SER A O 1 ATOM 2210 C CB . SER A 1 287 ? 108.154 10.583 40.485 1.00 40.86 ? 287 SER A CB 1 ATOM 2211 O OG . SER A 1 287 ? 107.321 9.860 41.365 1.00 40.37 ? 287 SER A OG 1 ATOM 2212 N N . VAL A 1 288 ? 111.068 9.686 39.376 1.00 36.58 ? 288 VAL A N 1 ATOM 2213 C CA . VAL A 1 288 ? 111.876 9.615 38.197 1.00 35.08 ? 288 VAL A CA 1 ATOM 2214 C C . VAL A 1 288 ? 111.257 8.495 37.377 1.00 36.16 ? 288 VAL A C 1 ATOM 2215 O O . VAL A 1 288 ? 111.655 7.326 37.482 1.00 35.78 ? 288 VAL A O 1 ATOM 2216 C CB . VAL A 1 288 ? 113.358 9.283 38.566 1.00 35.32 ? 288 VAL A CB 1 ATOM 2217 C CG1 . VAL A 1 288 ? 114.180 8.952 37.331 1.00 31.29 ? 288 VAL A CG1 1 ATOM 2218 C CG2 . VAL A 1 288 ? 113.988 10.481 39.363 1.00 31.74 ? 288 VAL A CG2 1 ATOM 2219 N N . ASN A 1 289 ? 110.278 8.839 36.551 1.00 35.88 ? 289 ASN A N 1 ATOM 2220 C CA . ASN A 1 289 ? 109.506 7.787 35.883 1.00 36.49 ? 289 ASN A CA 1 ATOM 2221 C C . ASN A 1 289 ? 110.350 7.042 34.868 1.00 35.14 ? 289 ASN A C 1 ATOM 2222 O O . ASN A 1 289 ? 110.231 5.844 34.763 1.00 35.29 ? 289 ASN A O 1 ATOM 2223 C CB . ASN A 1 289 ? 108.235 8.369 35.247 1.00 37.01 ? 289 ASN A CB 1 ATOM 2224 C CG . ASN A 1 289 ? 107.185 8.755 36.293 1.00 42.16 ? 289 ASN A CG 1 ATOM 2225 O OD1 . ASN A 1 289 ? 107.258 8.332 37.456 1.00 46.28 ? 289 ASN A OD1 1 ATOM 2226 N ND2 . ASN A 1 289 ? 106.211 9.569 35.885 1.00 45.56 ? 289 ASN A ND2 1 ATOM 2227 N N . PHE A 1 290 ? 111.188 7.771 34.138 1.00 33.92 ? 290 PHE A N 1 ATOM 2228 C CA . PHE A 1 290 ? 112.066 7.215 33.125 1.00 33.88 ? 290 PHE A CA 1 ATOM 2229 C C . PHE A 1 290 ? 113.504 7.624 33.446 1.00 34.34 ? 290 PHE A C 1 ATOM 2230 O O . PHE A 1 290 ? 113.906 8.756 33.188 1.00 35.26 ? 290 PHE A O 1 ATOM 2231 C CB . PHE A 1 290 ? 111.649 7.682 31.713 1.00 33.57 ? 290 PHE A CB 1 ATOM 2232 C CG . PHE A 1 290 ? 110.293 7.128 31.307 1.00 37.23 ? 290 PHE A CG 1 ATOM 2233 C CD1 . PHE A 1 290 ? 110.185 5.825 30.838 1.00 38.41 ? 290 PHE A CD1 1 ATOM 2234 C CD2 . PHE A 1 290 ? 109.120 7.853 31.566 1.00 38.10 ? 290 PHE A CD2 1 ATOM 2235 C CE1 . PHE A 1 290 ? 108.913 5.270 30.534 1.00 41.04 ? 290 PHE A CE1 1 ATOM 2236 C CE2 . PHE A 1 290 ? 107.836 7.310 31.249 1.00 38.20 ? 290 PHE A CE2 1 ATOM 2237 C CZ . PHE A 1 290 ? 107.747 6.027 30.739 1.00 34.30 ? 290 PHE A CZ 1 ATOM 2238 N N . GLY A 1 291 ? 114.272 6.694 33.994 1.00 33.95 ? 291 GLY A N 1 ATOM 2239 C CA . GLY A 1 291 ? 115.684 6.973 34.319 1.00 34.60 ? 291 GLY A CA 1 ATOM 2240 C C . GLY A 1 291 ? 116.637 5.875 33.925 1.00 34.05 ? 291 GLY A C 1 ATOM 2241 O O . GLY A 1 291 ? 116.271 4.974 33.166 1.00 34.56 ? 291 GLY A O 1 ATOM 2242 N N . PRO A 1 292 ? 117.886 5.978 34.369 1.00 33.28 ? 292 PRO A N 1 ATOM 2243 C CA . PRO A 1 292 ? 118.898 4.936 34.054 1.00 32.75 ? 292 PRO A CA 1 ATOM 2244 C C . PRO A 1 292 ? 118.447 3.524 34.444 1.00 31.99 ? 292 PRO A C 1 ATOM 2245 O O . PRO A 1 292 ? 117.788 3.310 35.462 1.00 32.01 ? 292 PRO A O 1 ATOM 2246 C CB . PRO A 1 292 ? 120.151 5.363 34.906 1.00 32.23 ? 292 PRO A CB 1 ATOM 2247 C CG . PRO A 1 292 ? 119.965 6.878 35.068 1.00 33.49 ? 292 PRO A CG 1 ATOM 2248 C CD . PRO A 1 292 ? 118.441 7.081 35.181 1.00 31.52 ? 292 PRO A CD 1 ATOM 2249 N N . THR A 1 293 ? 118.774 2.560 33.607 1.00 33.10 ? 293 THR A N 1 ATOM 2250 C CA . THR A 1 293 ? 118.495 1.174 33.924 1.00 33.49 ? 293 THR A CA 1 ATOM 2251 C C . THR A 1 293 ? 119.781 0.362 33.753 1.00 34.23 ? 293 THR A C 1 ATOM 2252 O O . THR A 1 293 ? 120.735 0.808 33.091 1.00 34.83 ? 293 THR A O 1 ATOM 2253 C CB . THR A 1 293 ? 117.403 0.555 33.017 1.00 33.21 ? 293 THR A CB 1 ATOM 2254 O OG1 . THR A 1 293 ? 117.694 0.871 31.656 1.00 32.09 ? 293 THR A OG1 1 ATOM 2255 C CG2 . THR A 1 293 ? 116.074 1.164 33.270 1.00 34.97 ? 293 THR A CG2 1 ATOM 2256 N N . VAL A 1 294 ? 119.788 -0.843 34.304 1.00 34.54 ? 294 VAL A N 1 ATOM 2257 C CA . VAL A 1 294 ? 120.898 -1.758 33.993 1.00 36.58 ? 294 VAL A CA 1 ATOM 2258 C C . VAL A 1 294 ? 120.603 -2.349 32.609 1.00 36.88 ? 294 VAL A C 1 ATOM 2259 O O . VAL A 1 294 ? 119.786 -3.244 32.502 1.00 38.11 ? 294 VAL A O 1 ATOM 2260 C CB . VAL A 1 294 ? 121.026 -2.876 35.080 1.00 36.16 ? 294 VAL A CB 1 ATOM 2261 C CG1 . VAL A 1 294 ? 122.177 -3.867 34.743 1.00 35.96 ? 294 VAL A CG1 1 ATOM 2262 C CG2 . VAL A 1 294 ? 121.209 -2.214 36.462 1.00 37.12 ? 294 VAL A CG2 1 ATOM 2263 N N . ASP A 1 295 ? 121.247 -1.835 31.570 1.00 37.43 ? 295 ASP A N 1 ATOM 2264 C CA . ASP A 1 295 ? 120.938 -2.194 30.196 1.00 38.55 ? 295 ASP A CA 1 ATOM 2265 C C . ASP A 1 295 ? 121.918 -3.231 29.547 1.00 40.30 ? 295 ASP A C 1 ATOM 2266 O O . ASP A 1 295 ? 121.760 -3.567 28.383 1.00 41.01 ? 295 ASP A O 1 ATOM 2267 C CB . ASP A 1 295 ? 120.970 -0.902 29.358 1.00 37.81 ? 295 ASP A CB 1 ATOM 2268 C CG . ASP A 1 295 ? 122.341 -0.279 29.345 1.00 37.24 ? 295 ASP A CG 1 ATOM 2269 O OD1 . ASP A 1 295 ? 123.127 -0.621 30.281 1.00 38.66 ? 295 ASP A OD1 1 ATOM 2270 O OD2 . ASP A 1 295 ? 122.755 0.501 28.450 1.00 35.23 ? 295 ASP A OD2 1 ATOM 2271 N N . GLY A 1 296 ? 122.945 -3.683 30.269 1.00 40.16 ? 296 GLY A N 1 ATOM 2272 C CA . GLY A 1 296 ? 123.973 -4.559 29.689 1.00 40.20 ? 296 GLY A CA 1 ATOM 2273 C C . GLY A 1 296 ? 124.903 -3.905 28.695 1.00 40.57 ? 296 GLY A C 1 ATOM 2274 O O . GLY A 1 296 ? 125.608 -4.581 27.962 1.00 41.18 ? 296 GLY A O 1 ATOM 2275 N N . ASP A 1 297 ? 124.912 -2.573 28.647 1.00 40.24 ? 297 ASP A N 1 ATOM 2276 C CA . ASP A 1 297 ? 125.690 -1.858 27.650 1.00 38.98 ? 297 ASP A CA 1 ATOM 2277 C C . ASP A 1 297 ? 126.388 -0.675 28.330 1.00 39.17 ? 297 ASP A C 1 ATOM 2278 O O . ASP A 1 297 ? 127.591 -0.730 28.551 1.00 38.86 ? 297 ASP A O 1 ATOM 2279 C CB . ASP A 1 297 ? 124.765 -1.408 26.506 1.00 38.17 ? 297 ASP A CB 1 ATOM 2280 C CG . ASP A 1 297 ? 125.518 -0.834 25.341 1.00 39.82 ? 297 ASP A CG 1 ATOM 2281 O OD1 . ASP A 1 297 ? 126.784 -0.772 25.348 1.00 39.01 ? 297 ASP A OD1 1 ATOM 2282 O OD2 . ASP A 1 297 ? 124.910 -0.408 24.341 1.00 42.13 ? 297 ASP A OD2 1 ATOM 2283 N N . PHE A 1 298 ? 125.635 0.383 28.684 1.00 37.67 ? 298 PHE A N 1 ATOM 2284 C CA . PHE A 1 298 ? 126.207 1.477 29.474 1.00 37.14 ? 298 PHE A CA 1 ATOM 2285 C C . PHE A 1 298 ? 126.507 0.960 30.878 1.00 37.49 ? 298 PHE A C 1 ATOM 2286 O O . PHE A 1 298 ? 127.558 1.250 31.436 1.00 37.89 ? 298 PHE A O 1 ATOM 2287 C CB . PHE A 1 298 ? 125.240 2.665 29.578 1.00 35.35 ? 298 PHE A CB 1 ATOM 2288 C CG . PHE A 1 298 ? 125.860 3.911 30.177 1.00 34.93 ? 298 PHE A CG 1 ATOM 2289 C CD1 . PHE A 1 298 ? 125.699 4.207 31.533 1.00 34.17 ? 298 PHE A CD1 1 ATOM 2290 C CD2 . PHE A 1 298 ? 126.600 4.776 29.396 1.00 32.45 ? 298 PHE A CD2 1 ATOM 2291 C CE1 . PHE A 1 298 ? 126.287 5.347 32.089 1.00 32.65 ? 298 PHE A CE1 1 ATOM 2292 C CE2 . PHE A 1 298 ? 127.191 5.908 29.946 1.00 34.18 ? 298 PHE A CE2 1 ATOM 2293 C CZ . PHE A 1 298 ? 127.013 6.197 31.295 1.00 32.43 ? 298 PHE A CZ 1 ATOM 2294 N N . LEU A 1 299 ? 125.541 0.242 31.430 1.00 37.81 ? 299 LEU A N 1 ATOM 2295 C CA . LEU A 1 299 ? 125.606 -0.309 32.758 1.00 39.65 ? 299 LEU A CA 1 ATOM 2296 C C . LEU A 1 299 ? 125.555 -1.843 32.699 1.00 39.75 ? 299 LEU A C 1 ATOM 2297 O O . LEU A 1 299 ? 124.486 -2.432 32.431 1.00 38.68 ? 299 LEU A O 1 ATOM 2298 C CB . LEU A 1 299 ? 124.415 0.165 33.567 1.00 39.52 ? 299 LEU A CB 1 ATOM 2299 C CG . LEU A 1 299 ? 124.560 1.069 34.766 1.00 43.72 ? 299 LEU A CG 1 ATOM 2300 C CD1 . LEU A 1 299 ? 123.186 1.328 35.437 1.00 42.78 ? 299 LEU A CD1 1 ATOM 2301 C CD2 . LEU A 1 299 ? 125.527 0.436 35.784 1.00 45.45 ? 299 LEU A CD2 1 ATOM 2302 N N . THR A 1 300 ? 126.697 -2.483 33.002 1.00 40.16 ? 300 THR A N 1 ATOM 2303 C CA . THR A 1 300 ? 126.825 -3.957 32.905 1.00 40.46 ? 300 THR A CA 1 ATOM 2304 C C . THR A 1 300 ? 126.250 -4.772 34.064 1.00 40.17 ? 300 THR A C 1 ATOM 2305 O O . THR A 1 300 ? 126.043 -5.974 33.927 1.00 40.46 ? 300 THR A O 1 ATOM 2306 C CB . THR A 1 300 ? 128.278 -4.322 32.722 1.00 41.41 ? 300 THR A CB 1 ATOM 2307 O OG1 . THR A 1 300 ? 128.990 -4.030 33.938 1.00 41.47 ? 300 THR A OG1 1 ATOM 2308 C CG2 . THR A 1 300 ? 128.919 -3.385 31.690 1.00 42.54 ? 300 THR A CG2 1 ATOM 2309 N N . ASP A 1 301 ? 125.968 -4.134 35.197 1.00 39.47 ? 301 ASP A N 1 ATOM 2310 C CA . ASP A 1 301 ? 125.452 -4.848 36.354 1.00 38.40 ? 301 ASP A CA 1 ATOM 2311 C C . ASP A 1 301 ? 124.804 -3.822 37.283 1.00 38.13 ? 301 ASP A C 1 ATOM 2312 O O . ASP A 1 301 ? 124.918 -2.641 37.050 1.00 38.11 ? 301 ASP A O 1 ATOM 2313 C CB . ASP A 1 301 ? 126.617 -5.600 37.048 1.00 38.36 ? 301 ASP A CB 1 ATOM 2314 C CG . ASP A 1 301 ? 126.135 -6.674 38.027 1.00 38.37 ? 301 ASP A CG 1 ATOM 2315 O OD1 . ASP A 1 301 ? 126.990 -7.427 38.567 1.00 40.78 ? 301 ASP A OD1 1 ATOM 2316 O OD2 . ASP A 1 301 ? 124.939 -6.830 38.339 1.00 37.89 ? 301 ASP A OD2 1 ATOM 2317 N N . MET A 1 302 ? 124.087 -4.261 38.302 1.00 37.81 ? 302 MET A N 1 ATOM 2318 C CA . MET A 1 302 ? 123.518 -3.327 39.258 1.00 38.93 ? 302 MET A CA 1 ATOM 2319 C C . MET A 1 302 ? 124.614 -2.473 39.873 1.00 37.78 ? 302 MET A C 1 ATOM 2320 O O . MET A 1 302 ? 125.621 -2.986 40.327 1.00 38.31 ? 302 MET A O 1 ATOM 2321 C CB . MET A 1 302 ? 122.727 -4.071 40.313 1.00 39.22 ? 302 MET A CB 1 ATOM 2322 C CG . MET A 1 302 ? 121.565 -4.883 39.711 1.00 43.30 ? 302 MET A CG 1 ATOM 2323 S SD . MET A 1 302 ? 120.849 -5.905 41.005 1.00 54.48 ? 302 MET A SD 1 ATOM 2324 C CE . MET A 1 302 ? 120.060 -4.599 42.003 1.00 52.98 ? 302 MET A CE 1 ATOM 2325 N N . PRO A 1 303 ? 124.473 -1.161 39.779 1.00 37.45 ? 303 PRO A N 1 ATOM 2326 C CA . PRO A 1 303 ? 125.572 -0.275 40.142 1.00 36.09 ? 303 PRO A CA 1 ATOM 2327 C C . PRO A 1 303 ? 126.009 -0.393 41.619 1.00 35.42 ? 303 PRO A C 1 ATOM 2328 O O . PRO A 1 303 ? 127.166 -0.174 41.910 1.00 35.23 ? 303 PRO A O 1 ATOM 2329 C CB . PRO A 1 303 ? 125.058 1.143 39.758 1.00 37.06 ? 303 PRO A CB 1 ATOM 2330 C CG . PRO A 1 303 ? 123.597 0.991 39.369 1.00 37.50 ? 303 PRO A CG 1 ATOM 2331 C CD . PRO A 1 303 ? 123.315 -0.456 39.174 1.00 36.59 ? 303 PRO A CD 1 ATOM 2332 N N . ASP A 1 304 ? 125.117 -0.760 42.518 1.00 33.86 ? 304 ASP A N 1 ATOM 2333 C CA . ASP A 1 304 ? 125.493 -0.977 43.898 1.00 34.98 ? 304 ASP A CA 1 ATOM 2334 C C . ASP A 1 304 ? 126.573 -2.095 44.022 1.00 35.79 ? 304 ASP A C 1 ATOM 2335 O O . ASP A 1 304 ? 127.409 -2.066 44.922 1.00 35.14 ? 304 ASP A O 1 ATOM 2336 C CB . ASP A 1 304 ? 124.276 -1.391 44.735 1.00 35.22 ? 304 ASP A CB 1 ATOM 2337 C CG . ASP A 1 304 ? 123.347 -2.400 44.025 0.50 35.42 ? 304 ASP A CG 1 ATOM 2338 O OD1 . ASP A 1 304 ? 122.962 -2.186 42.861 0.50 34.47 ? 304 ASP A OD1 1 ATOM 2339 O OD2 . ASP A 1 304 ? 122.884 -3.405 44.596 0.50 35.76 ? 304 ASP A OD2 1 ATOM 2340 N N . ILE A 1 305 ? 126.494 -3.078 43.129 1.00 34.50 ? 305 ILE A N 1 ATOM 2341 C CA . ILE A 1 305 ? 127.397 -4.240 43.180 1.00 34.62 ? 305 ILE A CA 1 ATOM 2342 C C . ILE A 1 305 ? 128.732 -3.760 42.671 1.00 33.48 ? 305 ILE A C 1 ATOM 2343 O O . ILE A 1 305 ? 129.732 -3.984 43.341 1.00 32.01 ? 305 ILE A O 1 ATOM 2344 C CB . ILE A 1 305 ? 126.878 -5.495 42.348 1.00 33.76 ? 305 ILE A CB 1 ATOM 2345 C CG1 . ILE A 1 305 ? 125.421 -5.806 42.735 1.00 34.08 ? 305 ILE A CG1 1 ATOM 2346 C CG2 . ILE A 1 305 ? 127.871 -6.690 42.543 1.00 34.59 ? 305 ILE A CG2 1 ATOM 2347 C CD1 . ILE A 1 305 ? 124.812 -7.162 42.224 1.00 35.32 ? 305 ILE A CD1 1 ATOM 2348 N N . LEU A 1 306 ? 128.706 -3.055 41.529 1.00 32.04 ? 306 LEU A N 1 ATOM 2349 C CA . LEU A 1 306 ? 129.897 -2.438 40.946 1.00 33.06 ? 306 LEU A CA 1 ATOM 2350 C C . LEU A 1 306 ? 130.674 -1.551 41.963 1.00 33.46 ? 306 LEU A C 1 ATOM 2351 O O . LEU A 1 306 ? 131.902 -1.613 42.066 1.00 33.65 ? 306 LEU A O 1 ATOM 2352 C CB . LEU A 1 306 ? 129.530 -1.643 39.670 1.00 31.58 ? 306 LEU A CB 1 ATOM 2353 C CG . LEU A 1 306 ? 128.941 -2.522 38.559 1.00 33.49 ? 306 LEU A CG 1 ATOM 2354 C CD1 . LEU A 1 306 ? 128.512 -1.681 37.374 1.00 29.56 ? 306 LEU A CD1 1 ATOM 2355 C CD2 . LEU A 1 306 ? 130.015 -3.533 38.078 1.00 32.49 ? 306 LEU A CD2 1 ATOM 2356 N N . LEU A 1 307 ? 129.929 -0.742 42.717 1.00 34.43 ? 307 LEU A N 1 ATOM 2357 C CA . LEU A 1 307 ? 130.517 0.188 43.713 1.00 33.81 ? 307 LEU A CA 1 ATOM 2358 C C . LEU A 1 307 ? 131.139 -0.592 44.887 1.00 33.51 ? 307 LEU A C 1 ATOM 2359 O O . LEU A 1 307 ? 132.284 -0.368 45.286 1.00 34.64 ? 307 LEU A O 1 ATOM 2360 C CB . LEU A 1 307 ? 129.432 1.124 44.258 1.00 31.81 ? 307 LEU A CB 1 ATOM 2361 C CG . LEU A 1 307 ? 129.917 2.083 45.381 1.00 32.66 ? 307 LEU A CG 1 ATOM 2362 C CD1 . LEU A 1 307 ? 131.072 2.976 44.885 1.00 32.83 ? 307 LEU A CD1 1 ATOM 2363 C CD2 . LEU A 1 307 ? 128.767 2.938 45.944 1.00 31.43 ? 307 LEU A CD2 1 ATOM 2364 N N . GLU A 1 308 ? 130.348 -1.499 45.437 1.00 33.35 ? 308 GLU A N 1 ATOM 2365 C CA . GLU A 1 308 ? 130.774 -2.299 46.583 1.00 35.05 ? 308 GLU A CA 1 ATOM 2366 C C . GLU A 1 308 ? 132.042 -3.086 46.288 1.00 34.90 ? 308 GLU A C 1 ATOM 2367 O O . GLU A 1 308 ? 132.904 -3.220 47.159 1.00 35.67 ? 308 GLU A O 1 ATOM 2368 C CB . GLU A 1 308 ? 129.608 -3.195 47.057 1.00 34.85 ? 308 GLU A CB 1 ATOM 2369 C CG . GLU A 1 308 ? 129.974 -4.179 48.128 1.00 38.04 ? 308 GLU A CG 1 ATOM 2370 C CD . GLU A 1 308 ? 130.244 -3.522 49.469 1.00 44.75 ? 308 GLU A CD 1 ATOM 2371 O OE1 . GLU A 1 308 ? 131.053 -4.061 50.250 1.00 48.50 ? 308 GLU A OE1 1 ATOM 2372 O OE2 . GLU A 1 308 ? 129.648 -2.464 49.764 1.00 49.32 ? 308 GLU A OE2 1 ATOM 2373 N N . LEU A 1 309 ? 132.184 -3.540 45.042 1.00 34.19 ? 309 LEU A N 1 ATOM 2374 C CA . LEU A 1 309 ? 133.284 -4.461 44.635 1.00 33.64 ? 309 LEU A CA 1 ATOM 2375 C C . LEU A 1 309 ? 134.368 -3.774 43.882 1.00 33.25 ? 309 LEU A C 1 ATOM 2376 O O . LEU A 1 309 ? 135.250 -4.434 43.338 1.00 33.66 ? 309 LEU A O 1 ATOM 2377 C CB . LEU A 1 309 ? 132.736 -5.677 43.825 1.00 31.81 ? 309 LEU A CB 1 ATOM 2378 C CG . LEU A 1 309 ? 131.779 -6.505 44.691 1.00 29.97 ? 309 LEU A CG 1 ATOM 2379 C CD1 . LEU A 1 309 ? 131.195 -7.731 43.943 1.00 31.01 ? 309 LEU A CD1 1 ATOM 2380 C CD2 . LEU A 1 309 ? 132.416 -7.007 46.018 1.00 28.53 ? 309 LEU A CD2 1 ATOM 2381 N N . GLY A 1 310 ? 134.285 -2.445 43.817 1.00 34.20 ? 310 GLY A N 1 ATOM 2382 C CA . GLY A 1 310 ? 135.423 -1.598 43.388 1.00 33.67 ? 310 GLY A CA 1 ATOM 2383 C C . GLY A 1 310 ? 135.598 -1.559 41.899 1.00 33.92 ? 310 GLY A C 1 ATOM 2384 O O . GLY A 1 310 ? 136.703 -1.286 41.396 1.00 34.03 ? 310 GLY A O 1 ATOM 2385 N N . GLN A 1 311 ? 134.514 -1.850 41.165 1.00 35.00 ? 311 GLN A N 1 ATOM 2386 C CA . GLN A 1 311 ? 134.580 -1.894 39.708 1.00 33.43 ? 311 GLN A CA 1 ATOM 2387 C C . GLN A 1 311 ? 134.157 -0.540 39.143 1.00 34.49 ? 311 GLN A C 1 ATOM 2388 O O . GLN A 1 311 ? 133.003 -0.356 38.735 1.00 33.20 ? 311 GLN A O 1 ATOM 2389 C CB . GLN A 1 311 ? 133.664 -2.992 39.156 1.00 36.14 ? 311 GLN A CB 1 ATOM 2390 C CG . GLN A 1 311 ? 133.904 -4.394 39.767 1.00 37.23 ? 311 GLN A CG 1 ATOM 2391 C CD . GLN A 1 311 ? 135.356 -4.803 39.573 1.00 40.79 ? 311 GLN A CD 1 ATOM 2392 O OE1 . GLN A 1 311 ? 136.095 -5.008 40.555 1.00 41.97 ? 311 GLN A OE1 1 ATOM 2393 N NE2 . GLN A 1 311 ? 135.781 -4.863 38.319 1.00 41.28 ? 311 GLN A NE2 1 ATOM 2394 N N . PHE A 1 312 ? 135.102 0.415 39.124 1.00 33.30 ? 312 PHE A N 1 ATOM 2395 C CA . PHE A 1 312 ? 134.855 1.766 38.639 1.00 32.44 ? 312 PHE A CA 1 ATOM 2396 C C . PHE A 1 312 ? 136.182 2.406 38.348 1.00 33.97 ? 312 PHE A C 1 ATOM 2397 O O . PHE A 1 312 ? 137.250 1.901 38.813 1.00 33.71 ? 312 PHE A O 1 ATOM 2398 C CB . PHE A 1 312 ? 134.092 2.624 39.678 1.00 32.59 ? 312 PHE A CB 1 ATOM 2399 C CG . PHE A 1 312 ? 134.587 2.493 41.093 1.00 31.40 ? 312 PHE A CG 1 ATOM 2400 C CD1 . PHE A 1 312 ? 135.668 3.237 41.540 1.00 30.38 ? 312 PHE A CD1 1 ATOM 2401 C CD2 . PHE A 1 312 ? 133.933 1.650 41.995 1.00 31.66 ? 312 PHE A CD2 1 ATOM 2402 C CE1 . PHE A 1 312 ? 136.105 3.141 42.858 1.00 30.26 ? 312 PHE A CE1 1 ATOM 2403 C CE2 . PHE A 1 312 ? 134.337 1.563 43.329 1.00 31.94 ? 312 PHE A CE2 1 ATOM 2404 C CZ . PHE A 1 312 ? 135.449 2.311 43.751 1.00 31.90 ? 312 PHE A CZ 1 ATOM 2405 N N . LYS A 1 313 ? 136.115 3.536 37.651 1.00 32.60 ? 313 LYS A N 1 ATOM 2406 C CA . LYS A 1 313 ? 137.295 4.298 37.281 1.00 33.64 ? 313 LYS A CA 1 ATOM 2407 C C . LYS A 1 313 ? 138.008 4.800 38.539 1.00 33.65 ? 313 LYS A C 1 ATOM 2408 O O . LYS A 1 313 ? 137.383 5.447 39.406 1.00 34.00 ? 313 LYS A O 1 ATOM 2409 C CB . LYS A 1 313 ? 136.931 5.519 36.395 1.00 32.77 ? 313 LYS A CB 1 ATOM 2410 C CG . LYS A 1 313 ? 138.139 6.338 35.872 1.00 32.58 ? 313 LYS A CG 1 ATOM 2411 C CD . LYS A 1 313 ? 137.702 7.669 35.230 1.00 35.44 ? 313 LYS A CD 1 ATOM 2412 C CE . LYS A 1 313 ? 138.890 8.473 34.635 1.00 35.46 ? 313 LYS A CE 1 ATOM 2413 N NZ . LYS A 1 313 ? 139.588 7.735 33.512 1.00 32.29 ? 313 LYS A NZ 1 ATOM 2414 N N . LYS A 1 314 ? 139.316 4.546 38.594 1.00 32.50 ? 314 LYS A N 1 ATOM 2415 C CA . LYS A 1 314 ? 140.121 4.884 39.760 1.00 32.83 ? 314 LYS A CA 1 ATOM 2416 C C . LYS A 1 314 ? 140.664 6.288 39.560 1.00 32.29 ? 314 LYS A C 1 ATOM 2417 O O . LYS A 1 314 ? 141.535 6.481 38.717 1.00 32.63 ? 314 LYS A O 1 ATOM 2418 C CB . LYS A 1 314 ? 141.261 3.835 39.976 1.00 33.34 ? 314 LYS A CB 1 ATOM 2419 C CG . LYS A 1 314 ? 140.762 2.363 40.336 1.00 35.11 ? 314 LYS A CG 1 ATOM 2420 C CD . LYS A 1 314 ? 139.679 2.408 41.475 1.00 37.97 ? 314 LYS A CD 1 ATOM 2421 C CE . LYS A 1 314 ? 139.158 1.035 41.908 1.00 38.30 ? 314 LYS A CE 1 ATOM 2422 N NZ . LYS A 1 314 ? 138.651 0.290 40.760 1.00 37.18 ? 314 LYS A NZ 1 ATOM 2423 N N . THR A 1 315 ? 140.085 7.288 40.251 1.00 31.65 ? 315 THR A N 1 ATOM 2424 C CA . THR A 1 315 ? 140.482 8.701 40.073 1.00 30.27 ? 315 THR A CA 1 ATOM 2425 C C . THR A 1 315 ? 140.000 9.476 41.271 1.00 30.51 ? 315 THR A C 1 ATOM 2426 O O . THR A 1 315 ? 139.396 8.885 42.144 1.00 29.69 ? 315 THR A O 1 ATOM 2427 C CB . THR A 1 315 ? 139.922 9.280 38.752 1.00 31.74 ? 315 THR A CB 1 ATOM 2428 O OG1 . THR A 1 315 ? 140.437 10.604 38.569 1.00 29.15 ? 315 THR A OG1 1 ATOM 2429 C CG2 . THR A 1 315 ? 138.344 9.448 38.810 1.00 27.43 ? 315 THR A CG2 1 ATOM 2430 N N . GLN A 1 316 ? 140.293 10.771 41.338 1.00 30.69 ? 316 GLN A N 1 ATOM 2431 C CA . GLN A 1 316 ? 139.856 11.622 42.471 1.00 31.30 ? 316 GLN A CA 1 ATOM 2432 C C . GLN A 1 316 ? 138.425 12.081 42.242 1.00 31.83 ? 316 GLN A C 1 ATOM 2433 O O . GLN A 1 316 ? 138.023 12.348 41.093 1.00 29.94 ? 316 GLN A O 1 ATOM 2434 C CB . GLN A 1 316 ? 140.778 12.860 42.685 1.00 31.25 ? 316 GLN A CB 1 ATOM 2435 C CG . GLN A 1 316 ? 142.299 12.551 42.813 1.00 31.76 ? 316 GLN A CG 1 ATOM 2436 C CD . GLN A 1 316 ? 142.909 12.117 41.481 1.00 35.02 ? 316 GLN A CD 1 ATOM 2437 O OE1 . GLN A 1 316 ? 142.610 12.682 40.437 1.00 33.01 ? 316 GLN A OE1 1 ATOM 2438 N NE2 . GLN A 1 316 ? 143.710 11.058 41.517 1.00 36.61 ? 316 GLN A NE2 1 ATOM 2439 N N . ILE A 1 317 ? 137.656 12.147 43.329 1.00 31.66 ? 317 ILE A N 1 ATOM 2440 C CA . ILE A 1 317 ? 136.293 12.691 43.280 1.00 30.78 ? 317 ILE A CA 1 ATOM 2441 C C . ILE A 1 317 ? 136.093 13.881 44.240 1.00 30.26 ? 317 ILE A C 1 ATOM 2442 O O . ILE A 1 317 ? 136.704 13.969 45.284 1.00 28.94 ? 317 ILE A O 1 ATOM 2443 C CB . ILE A 1 317 ? 135.192 11.605 43.542 1.00 31.44 ? 317 ILE A CB 1 ATOM 2444 C CG1 . ILE A 1 317 ? 135.436 10.876 44.862 1.00 31.87 ? 317 ILE A CG1 1 ATOM 2445 C CG2 . ILE A 1 317 ? 135.088 10.610 42.373 1.00 31.14 ? 317 ILE A CG2 1 ATOM 2446 C CD1 . ILE A 1 317 ? 134.251 10.004 45.377 1.00 30.65 ? 317 ILE A CD1 1 ATOM 2447 N N . LEU A 1 318 ? 135.216 14.798 43.866 1.00 29.18 ? 318 LEU A N 1 ATOM 2448 C CA . LEU A 1 318 ? 134.809 15.875 44.751 1.00 28.78 ? 318 LEU A CA 1 ATOM 2449 C C . LEU A 1 318 ? 133.283 15.764 44.880 1.00 28.98 ? 318 LEU A C 1 ATOM 2450 O O . LEU A 1 318 ? 132.544 15.741 43.862 1.00 28.51 ? 318 LEU A O 1 ATOM 2451 C CB . LEU A 1 318 ? 135.253 17.211 44.145 1.00 28.10 ? 318 LEU A CB 1 ATOM 2452 C CG . LEU A 1 318 ? 135.136 18.505 44.979 1.00 31.23 ? 318 LEU A CG 1 ATOM 2453 C CD1 . LEU A 1 318 ? 135.783 19.706 44.223 1.00 30.15 ? 318 LEU A CD1 1 ATOM 2454 C CD2 . LEU A 1 318 ? 133.684 18.851 45.195 1.00 33.18 ? 318 LEU A CD2 1 ATOM 2455 N N . VAL A 1 319 ? 132.783 15.679 46.107 1.00 27.97 ? 319 VAL A N 1 ATOM 2456 C CA . VAL A 1 319 ? 131.362 15.358 46.289 1.00 26.09 ? 319 VAL A CA 1 ATOM 2457 C C . VAL A 1 319 ? 130.843 16.304 47.344 1.00 27.17 ? 319 VAL A C 1 ATOM 2458 O O . VAL A 1 319 ? 131.539 16.597 48.333 1.00 26.14 ? 319 VAL A O 1 ATOM 2459 C CB . VAL A 1 319 ? 131.179 13.909 46.838 1.00 25.75 ? 319 VAL A CB 1 ATOM 2460 C CG1 . VAL A 1 319 ? 129.715 13.463 46.784 1.00 24.13 ? 319 VAL A CG1 1 ATOM 2461 C CG2 . VAL A 1 319 ? 132.013 12.891 46.021 1.00 25.75 ? 319 VAL A CG2 1 ATOM 2462 N N . GLY A 1 320 ? 129.602 16.736 47.211 1.00 26.71 ? 320 GLY A N 1 ATOM 2463 C CA . GLY A 1 320 ? 129.049 17.542 48.321 1.00 26.53 ? 320 GLY A CA 1 ATOM 2464 C C . GLY A 1 320 ? 127.552 17.641 48.261 1.00 27.29 ? 320 GLY A C 1 ATOM 2465 O O . GLY A 1 320 ? 126.938 17.194 47.270 1.00 27.62 ? 320 GLY A O 1 ATOM 2466 N N . VAL A 1 321 ? 126.976 18.266 49.288 1.00 26.22 ? 321 VAL A N 1 ATOM 2467 C CA . VAL A 1 321 ? 125.537 18.424 49.430 1.00 26.27 ? 321 VAL A CA 1 ATOM 2468 C C . VAL A 1 321 ? 125.309 19.771 50.104 1.00 27.06 ? 321 VAL A C 1 ATOM 2469 O O . VAL A 1 321 ? 126.238 20.344 50.671 1.00 27.65 ? 321 VAL A O 1 ATOM 2470 C CB . VAL A 1 321 ? 124.875 17.263 50.301 1.00 25.88 ? 321 VAL A CB 1 ATOM 2471 C CG1 . VAL A 1 321 ? 124.921 15.907 49.506 1.00 24.87 ? 321 VAL A CG1 1 ATOM 2472 C CG2 . VAL A 1 321 ? 125.593 17.184 51.696 1.00 25.12 ? 321 VAL A CG2 1 ATOM 2473 N N . ASN A 1 322 ? 124.066 20.242 50.040 1.00 27.52 ? 322 ASN A N 1 ATOM 2474 C CA . ASN A 1 322 ? 123.613 21.489 50.612 1.00 28.65 ? 322 ASN A CA 1 ATOM 2475 C C . ASN A 1 322 ? 122.910 21.177 51.922 1.00 30.12 ? 322 ASN A C 1 ATOM 2476 O O . ASN A 1 322 ? 122.346 20.095 52.089 1.00 30.01 ? 322 ASN A O 1 ATOM 2477 C CB . ASN A 1 322 ? 122.658 22.194 49.615 1.00 27.97 ? 322 ASN A CB 1 ATOM 2478 C CG . ASN A 1 322 ? 123.374 22.605 48.340 1.00 30.06 ? 322 ASN A CG 1 ATOM 2479 O OD1 . ASN A 1 322 ? 124.591 22.373 48.218 1.00 32.14 ? 322 ASN A OD1 1 ATOM 2480 N ND2 . ASN A 1 322 ? 122.650 23.190 47.385 1.00 29.45 ? 322 ASN A ND2 1 ATOM 2481 N N . LYS A 1 323 ? 122.928 22.145 52.837 1.00 30.90 ? 323 LYS A N 1 ATOM 2482 C CA . LYS A 1 323 ? 122.335 21.974 54.173 1.00 31.21 ? 323 LYS A CA 1 ATOM 2483 C C . LYS A 1 323 ? 120.850 21.591 54.183 1.00 31.11 ? 323 LYS A C 1 ATOM 2484 O O . LYS A 1 323 ? 120.421 20.759 55.008 1.00 30.81 ? 323 LYS A O 1 ATOM 2485 C CB . LYS A 1 323 ? 122.569 23.252 55.016 1.00 31.31 ? 323 LYS A CB 1 ATOM 2486 C CG . LYS A 1 323 ? 121.977 23.202 56.431 1.00 33.54 ? 323 LYS A CG 1 ATOM 2487 C CD . LYS A 1 323 ? 122.313 24.471 57.215 1.00 37.33 ? 323 LYS A CD 1 ATOM 2488 C CE . LYS A 1 323 ? 121.479 24.508 58.551 1.00 42.52 ? 323 LYS A CE 1 ATOM 2489 N NZ . LYS A 1 323 ? 121.531 25.885 59.167 1.00 48.14 ? 323 LYS A NZ 1 ATOM 2490 N N . ASP A 1 324 ? 120.062 22.191 53.287 1.00 31.33 ? 324 ASP A N 1 ATOM 2491 C CA . ASP A 1 324 ? 118.625 21.904 53.250 1.00 31.83 ? 324 ASP A CA 1 ATOM 2492 C C . ASP A 1 324 ? 118.139 21.294 51.937 1.00 31.57 ? 324 ASP A C 1 ATOM 2493 O O . ASP A 1 324 ? 117.133 21.727 51.354 1.00 31.45 ? 324 ASP A O 1 ATOM 2494 C CB . ASP A 1 324 ? 117.786 23.144 53.622 1.00 31.78 ? 324 ASP A CB 1 ATOM 2495 C CG . ASP A 1 324 ? 118.142 23.697 54.987 1.00 33.08 ? 324 ASP A CG 1 ATOM 2496 O OD1 . ASP A 1 324 ? 117.783 23.091 56.025 1.00 32.67 ? 324 ASP A OD1 1 ATOM 2497 O OD2 . ASP A 1 324 ? 118.808 24.729 55.123 1.00 32.84 ? 324 ASP A OD2 1 ATOM 2498 N N . GLU A 1 325 ? 118.833 20.257 51.494 1.00 31.77 ? 325 GLU A N 1 ATOM 2499 C CA . GLU A 1 325 ? 118.431 19.514 50.301 1.00 32.23 ? 325 GLU A CA 1 ATOM 2500 C C . GLU A 1 325 ? 116.899 19.235 50.203 1.00 33.17 ? 325 GLU A C 1 ATOM 2501 O O . GLU A 1 325 ? 116.305 19.396 49.124 1.00 34.48 ? 325 GLU A O 1 ATOM 2502 C CB . GLU A 1 325 ? 119.164 18.172 50.241 1.00 31.03 ? 325 GLU A CB 1 ATOM 2503 C CG . GLU A 1 325 ? 120.674 18.298 50.051 1.00 32.47 ? 325 GLU A CG 1 ATOM 2504 C CD . GLU A 1 325 ? 121.000 18.689 48.623 1.00 32.73 ? 325 GLU A CD 1 ATOM 2505 O OE1 . GLU A 1 325 ? 120.062 18.776 47.810 1.00 31.84 ? 325 GLU A OE1 1 ATOM 2506 O OE2 . GLU A 1 325 ? 122.183 18.876 48.324 1.00 31.18 ? 325 GLU A OE2 1 ATOM 2507 N N . GLY A 1 326 ? 116.277 18.801 51.301 1.00 32.12 ? 326 GLY A N 1 ATOM 2508 C CA . GLY A 1 326 ? 114.902 18.319 51.207 1.00 32.61 ? 326 GLY A CA 1 ATOM 2509 C C . GLY A 1 326 ? 113.792 19.379 51.075 1.00 32.52 ? 326 GLY A C 1 ATOM 2510 O O . GLY A 1 326 ? 112.713 19.030 50.684 1.00 33.07 ? 326 GLY A O 1 ATOM 2511 N N . THR A 1 327 ? 114.037 20.642 51.428 1.00 32.22 ? 327 THR A N 1 ATOM 2512 C CA . THR A 1 327 ? 112.938 21.627 51.544 1.00 33.65 ? 327 THR A CA 1 ATOM 2513 C C . THR A 1 327 ? 112.144 21.980 50.259 1.00 34.58 ? 327 THR A C 1 ATOM 2514 O O . THR A 1 327 ? 110.907 22.036 50.299 1.00 34.46 ? 327 THR A O 1 ATOM 2515 C CB . THR A 1 327 ? 113.384 22.888 52.231 1.00 33.76 ? 327 THR A CB 1 ATOM 2516 O OG1 . THR A 1 327 ? 114.479 23.459 51.491 1.00 31.20 ? 327 THR A OG1 1 ATOM 2517 C CG2 . THR A 1 327 ? 113.893 22.622 53.684 1.00 31.78 ? 327 THR A CG2 1 ATOM 2518 N N . ALA A 1 328 ? 112.850 22.191 49.147 1.00 34.92 ? 328 ALA A N 1 ATOM 2519 C CA . ALA A 1 328 ? 112.274 22.508 47.854 1.00 35.05 ? 328 ALA A CA 1 ATOM 2520 C C . ALA A 1 328 ? 111.064 21.606 47.526 1.00 36.58 ? 328 ALA A C 1 ATOM 2521 O O . ALA A 1 328 ? 110.074 22.040 46.892 1.00 35.69 ? 328 ALA A O 1 ATOM 2522 C CB . ALA A 1 328 ? 113.385 22.320 46.746 1.00 34.69 ? 328 ALA A CB 1 ATOM 2523 N N . PHE A 1 329 ? 111.130 20.335 47.960 1.00 36.37 ? 329 PHE A N 1 ATOM 2524 C CA . PHE A 1 329 ? 110.216 19.352 47.404 1.00 35.55 ? 329 PHE A CA 1 ATOM 2525 C C . PHE A 1 329 ? 108.908 19.356 48.117 1.00 35.32 ? 329 PHE A C 1 ATOM 2526 O O . PHE A 1 329 ? 107.914 18.838 47.588 1.00 34.54 ? 329 PHE A O 1 ATOM 2527 C CB . PHE A 1 329 ? 110.845 17.928 47.321 1.00 36.17 ? 329 PHE A CB 1 ATOM 2528 C CG . PHE A 1 329 ? 112.132 17.920 46.543 1.00 36.83 ? 329 PHE A CG 1 ATOM 2529 C CD1 . PHE A 1 329 ? 113.366 18.112 47.203 1.00 34.21 ? 329 PHE A CD1 1 ATOM 2530 C CD2 . PHE A 1 329 ? 112.111 17.832 45.159 1.00 38.09 ? 329 PHE A CD2 1 ATOM 2531 C CE1 . PHE A 1 329 ? 114.576 18.155 46.482 1.00 34.68 ? 329 PHE A CE1 1 ATOM 2532 C CE2 . PHE A 1 329 ? 113.312 17.898 44.422 1.00 40.35 ? 329 PHE A CE2 1 ATOM 2533 C CZ . PHE A 1 329 ? 114.557 18.049 45.097 1.00 35.82 ? 329 PHE A CZ 1 ATOM 2534 N N . LEU A 1 330 ? 108.929 19.899 49.323 1.00 35.31 ? 330 LEU A N 1 ATOM 2535 C CA . LEU A 1 330 ? 107.776 19.819 50.258 1.00 37.03 ? 330 LEU A CA 1 ATOM 2536 C C . LEU A 1 330 ? 106.593 20.657 49.765 1.00 38.00 ? 330 LEU A C 1 ATOM 2537 O O . LEU A 1 330 ? 105.460 20.367 50.116 1.00 37.73 ? 330 LEU A O 1 ATOM 2538 C CB . LEU A 1 330 ? 108.153 20.296 51.674 1.00 36.17 ? 330 LEU A CB 1 ATOM 2539 C CG . LEU A 1 330 ? 109.400 19.639 52.305 1.00 35.51 ? 330 LEU A CG 1 ATOM 2540 C CD1 . LEU A 1 330 ? 109.702 20.218 53.710 1.00 32.26 ? 330 LEU A CD1 1 ATOM 2541 C CD2 . LEU A 1 330 ? 109.198 18.162 52.333 1.00 31.33 ? 330 LEU A CD2 1 ATOM 2542 N N . VAL A 1 331 ? 106.879 21.689 48.969 1.00 38.66 ? 331 VAL A N 1 ATOM 2543 C CA . VAL A 1 331 ? 105.801 22.532 48.423 1.00 39.39 ? 331 VAL A CA 1 ATOM 2544 C C . VAL A 1 331 ? 105.201 21.956 47.153 1.00 39.94 ? 331 VAL A C 1 ATOM 2545 O O . VAL A 1 331 ? 104.311 22.564 46.547 1.00 40.23 ? 331 VAL A O 1 ATOM 2546 C CB . VAL A 1 331 ? 106.221 24.000 48.267 1.00 39.38 ? 331 VAL A CB 1 ATOM 2547 C CG1 . VAL A 1 331 ? 106.512 24.590 49.642 1.00 38.67 ? 331 VAL A CG1 1 ATOM 2548 C CG2 . VAL A 1 331 ? 107.435 24.178 47.273 1.00 38.05 ? 331 VAL A CG2 1 ATOM 2549 N N . TYR A 1 332 ? 105.690 20.784 46.746 1.00 39.71 ? 332 TYR A N 1 ATOM 2550 C CA . TYR A 1 332 ? 105.139 20.077 45.611 1.00 40.16 ? 332 TYR A CA 1 ATOM 2551 C C . TYR A 1 332 ? 104.245 18.917 46.042 1.00 41.01 ? 332 TYR A C 1 ATOM 2552 O O . TYR A 1 332 ? 104.083 17.910 45.328 1.00 41.40 ? 332 TYR A O 1 ATOM 2553 C CB . TYR A 1 332 ? 106.233 19.630 44.621 1.00 38.86 ? 332 TYR A CB 1 ATOM 2554 C CG . TYR A 1 332 ? 106.915 20.791 43.906 1.00 40.72 ? 332 TYR A CG 1 ATOM 2555 C CD1 . TYR A 1 332 ? 107.964 21.503 44.517 1.00 39.23 ? 332 TYR A CD1 1 ATOM 2556 C CD2 . TYR A 1 332 ? 106.503 21.186 42.606 1.00 39.41 ? 332 TYR A CD2 1 ATOM 2557 C CE1 . TYR A 1 332 ? 108.604 22.589 43.853 1.00 37.61 ? 332 TYR A CE1 1 ATOM 2558 C CE2 . TYR A 1 332 ? 107.126 22.254 41.943 1.00 38.23 ? 332 TYR A CE2 1 ATOM 2559 C CZ . TYR A 1 332 ? 108.166 22.952 42.580 1.00 37.40 ? 332 TYR A CZ 1 ATOM 2560 O OH . TYR A 1 332 ? 108.788 23.990 41.922 1.00 36.87 ? 332 TYR A OH 1 ATOM 2561 N N . GLY A 1 333 ? 103.613 19.061 47.195 1.00 43.19 ? 333 GLY A N 1 ATOM 2562 C CA . GLY A 1 333 ? 102.554 18.124 47.502 1.00 44.84 ? 333 GLY A CA 1 ATOM 2563 C C . GLY A 1 333 ? 102.364 17.744 48.953 1.00 45.46 ? 333 GLY A C 1 ATOM 2564 O O . GLY A 1 333 ? 101.350 17.146 49.269 1.00 45.89 ? 333 GLY A O 1 ATOM 2565 N N . ALA A 1 334 ? 103.317 18.058 49.826 1.00 45.32 ? 334 ALA A N 1 ATOM 2566 C CA . ALA A 1 334 ? 103.131 17.750 51.244 1.00 45.41 ? 334 ALA A CA 1 ATOM 2567 C C . ALA A 1 334 ? 102.049 18.665 51.865 1.00 46.01 ? 334 ALA A C 1 ATOM 2568 O O . ALA A 1 334 ? 102.084 19.886 51.655 1.00 46.71 ? 334 ALA A O 1 ATOM 2569 C CB . ALA A 1 334 ? 104.471 17.843 52.010 1.00 45.02 ? 334 ALA A CB 1 ATOM 2570 N N . PRO A 1 335 ? 101.086 18.104 52.616 1.00 46.19 ? 335 PRO A N 1 ATOM 2571 C CA . PRO A 1 335 ? 100.012 18.932 53.218 1.00 45.00 ? 335 PRO A CA 1 ATOM 2572 C C . PRO A 1 335 ? 100.511 19.920 54.266 1.00 44.37 ? 335 PRO A C 1 ATOM 2573 O O . PRO A 1 335 ? 101.439 19.611 55.028 1.00 42.81 ? 335 PRO A O 1 ATOM 2574 C CB . PRO A 1 335 ? 99.054 17.899 53.842 1.00 46.07 ? 335 PRO A CB 1 ATOM 2575 C CG . PRO A 1 335 ? 99.408 16.587 53.192 1.00 47.20 ? 335 PRO A CG 1 ATOM 2576 C CD . PRO A 1 335 ? 100.905 16.668 52.901 1.00 46.24 ? 335 PRO A CD 1 ATOM 2577 N N . GLY A 1 336 ? 99.917 21.118 54.277 1.00 42.98 ? 336 GLY A N 1 ATOM 2578 C CA . GLY A 1 336 ? 100.297 22.176 55.202 1.00 42.18 ? 336 GLY A CA 1 ATOM 2579 C C . GLY A 1 336 ? 101.468 23.037 54.772 1.00 42.29 ? 336 GLY A C 1 ATOM 2580 O O . GLY A 1 336 ? 101.822 23.997 55.477 1.00 41.95 ? 336 GLY A O 1 ATOM 2581 N N . PHE A 1 337 ? 102.087 22.699 53.634 1.00 41.26 ? 337 PHE A N 1 ATOM 2582 C CA . PHE A 1 337 ? 103.302 23.406 53.218 1.00 42.14 ? 337 PHE A CA 1 ATOM 2583 C C . PHE A 1 337 ? 102.947 24.473 52.194 1.00 42.76 ? 337 PHE A C 1 ATOM 2584 O O . PHE A 1 337 ? 102.086 24.228 51.335 1.00 44.31 ? 337 PHE A O 1 ATOM 2585 C CB . PHE A 1 337 ? 104.367 22.446 52.636 1.00 40.30 ? 337 PHE A CB 1 ATOM 2586 C CG . PHE A 1 337 ? 105.136 21.721 53.702 1.00 40.91 ? 337 PHE A CG 1 ATOM 2587 C CD1 . PHE A 1 337 ? 104.679 20.501 54.198 1.00 37.39 ? 337 PHE A CD1 1 ATOM 2588 C CD2 . PHE A 1 337 ? 106.262 22.290 54.263 1.00 37.35 ? 337 PHE A CD2 1 ATOM 2589 C CE1 . PHE A 1 337 ? 105.377 19.854 55.217 1.00 39.52 ? 337 PHE A CE1 1 ATOM 2590 C CE2 . PHE A 1 337 ? 106.954 21.646 55.288 1.00 41.45 ? 337 PHE A CE2 1 ATOM 2591 C CZ . PHE A 1 337 ? 106.516 20.425 55.760 1.00 36.48 ? 337 PHE A CZ 1 ATOM 2592 N N . SER A 1 338 ? 103.588 25.634 52.297 1.00 42.93 ? 338 SER A N 1 ATOM 2593 C CA . SER A 1 338 ? 103.458 26.663 51.250 1.00 42.32 ? 338 SER A CA 1 ATOM 2594 C C . SER A 1 338 ? 104.704 27.466 51.194 1.00 40.16 ? 338 SER A C 1 ATOM 2595 O O . SER A 1 338 ? 105.245 27.841 52.228 1.00 40.10 ? 338 SER A O 1 ATOM 2596 C CB . SER A 1 338 ? 102.282 27.631 51.571 1.00 43.58 ? 338 SER A CB 1 ATOM 2597 O OG . SER A 1 338 ? 102.250 28.727 50.649 1.00 46.15 ? 338 SER A OG 1 ATOM 2598 N N . LYS A 1 339 ? 105.148 27.813 49.995 1.00 39.92 ? 339 LYS A N 1 ATOM 2599 C CA . LYS A 1 339 ? 106.241 28.790 49.897 1.00 39.95 ? 339 LYS A CA 1 ATOM 2600 C C . LYS A 1 339 ? 105.797 30.164 50.437 1.00 41.12 ? 339 LYS A C 1 ATOM 2601 O O . LYS A 1 339 ? 106.657 31.008 50.750 1.00 41.34 ? 339 LYS A O 1 ATOM 2602 C CB . LYS A 1 339 ? 106.803 28.894 48.467 1.00 39.73 ? 339 LYS A CB 1 ATOM 2603 C CG . LYS A 1 339 ? 105.863 29.679 47.475 1.00 38.33 ? 339 LYS A CG 1 ATOM 2604 C CD . LYS A 1 339 ? 106.565 30.013 46.142 1.00 37.72 ? 339 LYS A CD 1 ATOM 2605 C CE . LYS A 1 339 ? 105.720 31.029 45.271 1.00 37.45 ? 339 LYS A CE 1 ATOM 2606 N NZ . LYS A 1 339 ? 105.813 32.360 45.988 1.00 38.82 ? 339 LYS A NZ 1 ATOM 2607 N N . ASP A 1 340 ? 104.473 30.381 50.583 1.00 42.08 ? 340 ASP A N 1 ATOM 2608 C CA . ASP A 1 340 ? 103.930 31.700 50.987 1.00 43.51 ? 340 ASP A CA 1 ATOM 2609 C C . ASP A 1 340 ? 103.454 31.860 52.433 1.00 45.09 ? 340 ASP A C 1 ATOM 2610 O O . ASP A 1 340 ? 102.809 32.864 52.774 1.00 44.24 ? 340 ASP A O 1 ATOM 2611 C CB . ASP A 1 340 ? 102.786 32.119 50.060 1.00 44.07 ? 340 ASP A CB 1 ATOM 2612 C CG . ASP A 1 340 ? 103.244 32.286 48.656 1.00 43.59 ? 340 ASP A CG 1 ATOM 2613 O OD1 . ASP A 1 340 ? 102.688 31.598 47.790 1.00 43.12 ? 340 ASP A OD1 1 ATOM 2614 O OD2 . ASP A 1 340 ? 104.216 33.014 48.362 1.00 42.21 ? 340 ASP A OD2 1 ATOM 2615 N N . ASN A 1 341 ? 103.777 30.888 53.279 1.00 44.84 ? 341 ASN A N 1 ATOM 2616 C CA . ASN A 1 341 ? 103.621 31.036 54.737 1.00 46.04 ? 341 ASN A CA 1 ATOM 2617 C C . ASN A 1 341 ? 104.659 30.151 55.401 1.00 46.40 ? 341 ASN A C 1 ATOM 2618 O O . ASN A 1 341 ? 105.420 29.470 54.713 1.00 46.49 ? 341 ASN A O 1 ATOM 2619 C CB . ASN A 1 341 ? 102.190 30.699 55.207 1.00 45.38 ? 341 ASN A CB 1 ATOM 2620 C CG . ASN A 1 341 ? 101.819 29.266 54.975 1.00 46.48 ? 341 ASN A CG 1 ATOM 2621 O OD1 . ASN A 1 341 ? 102.664 28.350 55.098 1.00 46.29 ? 341 ASN A OD1 1 ATOM 2622 N ND2 . ASN A 1 341 ? 100.550 29.054 54.607 1.00 43.71 ? 341 ASN A ND2 1 ATOM 2623 N N . ASN A 1 342 ? 104.736 30.172 56.721 1.00 47.40 ? 342 ASN A N 1 ATOM 2624 C CA . ASN A 1 342 ? 105.891 29.553 57.350 1.00 47.19 ? 342 ASN A CA 1 ATOM 2625 C C . ASN A 1 342 ? 105.767 28.028 57.529 1.00 46.33 ? 342 ASN A C 1 ATOM 2626 O O . ASN A 1 342 ? 106.646 27.417 58.081 1.00 46.91 ? 342 ASN A O 1 ATOM 2627 C CB . ASN A 1 342 ? 106.260 30.290 58.632 1.00 48.36 ? 342 ASN A CB 1 ATOM 2628 C CG . ASN A 1 342 ? 105.271 30.038 59.742 1.00 50.86 ? 342 ASN A CG 1 ATOM 2629 O OD1 . ASN A 1 342 ? 104.180 29.481 59.509 1.00 52.03 ? 342 ASN A OD1 1 ATOM 2630 N ND2 . ASN A 1 342 ? 105.649 30.436 60.979 1.00 55.51 ? 342 ASN A ND2 1 ATOM 2631 N N . SER A 1 343 ? 104.677 27.443 57.042 1.00 46.09 ? 343 SER A N 1 ATOM 2632 C CA . SER A 1 343 ? 104.529 25.997 56.878 1.00 46.82 ? 343 SER A CA 1 ATOM 2633 C C . SER A 1 343 ? 104.689 25.235 58.209 1.00 47.72 ? 343 SER A C 1 ATOM 2634 O O . SER A 1 343 ? 105.170 24.091 58.246 1.00 47.87 ? 343 SER A O 1 ATOM 2635 C CB . SER A 1 343 ? 105.477 25.477 55.787 1.00 45.41 ? 343 SER A CB 1 ATOM 2636 O OG . SER A 1 343 ? 105.127 26.033 54.521 1.00 44.82 ? 343 SER A OG 1 ATOM 2637 N N . ILE A 1 344 ? 104.274 25.871 59.305 1.00 48.62 ? 344 ILE A N 1 ATOM 2638 C CA . ILE A 1 344 ? 104.210 25.165 60.594 1.00 49.15 ? 344 ILE A CA 1 ATOM 2639 C C . ILE A 1 344 ? 103.215 24.021 60.416 1.00 48.91 ? 344 ILE A C 1 ATOM 2640 O O . ILE A 1 344 ? 102.045 24.244 60.142 1.00 50.20 ? 344 ILE A O 1 ATOM 2641 C CB . ILE A 1 344 ? 103.830 26.115 61.795 1.00 49.61 ? 344 ILE A CB 1 ATOM 2642 C CG1 . ILE A 1 344 ? 104.815 27.287 61.941 1.00 49.59 ? 344 ILE A CG1 1 ATOM 2643 C CG2 . ILE A 1 344 ? 103.823 25.345 63.133 1.00 49.40 ? 344 ILE A CG2 1 ATOM 2644 C CD1 . ILE A 1 344 ? 106.287 26.896 62.215 1.00 50.99 ? 344 ILE A CD1 1 ATOM 2645 N N . ILE A 1 345 ? 103.675 22.784 60.492 1.00 48.88 ? 345 ILE A N 1 ATOM 2646 C CA . ILE A 1 345 ? 102.750 21.663 60.320 1.00 47.70 ? 345 ILE A CA 1 ATOM 2647 C C . ILE A 1 345 ? 102.569 20.883 61.626 1.00 48.75 ? 345 ILE A C 1 ATOM 2648 O O . ILE A 1 345 ? 103.357 21.037 62.571 1.00 49.02 ? 345 ILE A O 1 ATOM 2649 C CB . ILE A 1 345 ? 103.201 20.741 59.190 1.00 48.04 ? 345 ILE A CB 1 ATOM 2650 C CG1 . ILE A 1 345 ? 104.662 20.252 59.399 1.00 46.69 ? 345 ILE A CG1 1 ATOM 2651 C CG2 . ILE A 1 345 ? 103.022 21.431 57.831 1.00 47.25 ? 345 ILE A CG2 1 ATOM 2652 C CD1 . ILE A 1 345 ? 104.929 18.905 58.738 1.00 42.61 ? 345 ILE A CD1 1 ATOM 2653 N N . THR A 1 346 ? 101.539 20.043 61.682 1.00 48.92 ? 346 THR A N 1 ATOM 2654 C CA . THR A 1 346 ? 101.318 19.198 62.860 1.00 48.81 ? 346 THR A CA 1 ATOM 2655 C C . THR A 1 346 ? 101.849 17.779 62.635 1.00 48.97 ? 346 THR A C 1 ATOM 2656 O O . THR A 1 346 ? 102.259 17.415 61.516 1.00 47.95 ? 346 THR A O 1 ATOM 2657 C CB . THR A 1 346 ? 99.815 19.112 63.212 1.00 48.14 ? 346 THR A CB 1 ATOM 2658 O OG1 . THR A 1 346 ? 99.090 18.699 62.055 1.00 48.39 ? 346 THR A OG1 1 ATOM 2659 C CG2 . THR A 1 346 ? 99.258 20.464 63.544 1.00 48.03 ? 346 THR A CG2 1 ATOM 2660 N N . ARG A 1 347 ? 101.810 16.981 63.704 1.00 49.35 ? 347 ARG A N 1 ATOM 2661 C CA . ARG A 1 347 ? 102.167 15.565 63.639 1.00 49.38 ? 347 ARG A CA 1 ATOM 2662 C C . ARG A 1 347 ? 101.460 14.871 62.494 1.00 49.18 ? 347 ARG A C 1 ATOM 2663 O O . ARG A 1 347 ? 102.090 14.134 61.713 1.00 48.79 ? 347 ARG A O 1 ATOM 2664 C CB . ARG A 1 347 ? 101.855 14.863 64.962 1.00 49.75 ? 347 ARG A CB 1 ATOM 2665 C CG . ARG A 1 347 ? 102.287 13.385 65.005 1.00 51.33 ? 347 ARG A CG 1 ATOM 2666 C CD . ARG A 1 347 ? 102.014 12.719 66.344 1.00 53.64 ? 347 ARG A CD 1 ATOM 2667 N NE . ARG A 1 347 ? 102.692 11.431 66.517 1.00 58.59 ? 347 ARG A NE 1 ATOM 2668 C CZ . ARG A 1 347 ? 103.980 11.270 66.863 1.00 58.55 ? 347 ARG A CZ 1 ATOM 2669 N NH1 . ARG A 1 347 ? 104.449 10.050 67.027 1.00 61.95 ? 347 ARG A NH1 1 ATOM 2670 N NH2 . ARG A 1 347 ? 104.803 12.302 67.041 1.00 58.45 ? 347 ARG A NH2 1 ATOM 2671 N N . LYS A 1 348 ? 100.157 15.126 62.376 1.00 48.66 ? 348 LYS A N 1 ATOM 2672 C CA . LYS A 1 348 ? 99.316 14.426 61.416 1.00 48.13 ? 348 LYS A CA 1 ATOM 2673 C C . LYS A 1 348 ? 99.633 14.804 59.974 1.00 46.87 ? 348 LYS A C 1 ATOM 2674 O O . LYS A 1 348 ? 99.575 13.961 59.055 1.00 46.90 ? 348 LYS A O 1 ATOM 2675 C CB . LYS A 1 348 ? 97.817 14.653 61.747 1.00 48.99 ? 348 LYS A CB 1 ATOM 2676 C CG . LYS A 1 348 ? 96.855 13.665 61.076 1.00 53.10 ? 348 LYS A CG 1 ATOM 2677 C CD . LYS A 1 348 ? 97.226 12.177 61.429 1.00 59.47 ? 348 LYS A CD 1 ATOM 2678 C CE . LYS A 1 348 ? 96.774 11.148 60.353 1.00 59.43 ? 348 LYS A CE 1 ATOM 2679 N NZ . LYS A 1 348 ? 97.908 10.543 59.550 1.00 61.30 ? 348 LYS A NZ 1 ATOM 2680 N N . GLU A 1 349 ? 99.953 16.077 59.779 1.00 46.44 ? 349 GLU A N 1 ATOM 2681 C CA . GLU A 1 349 ? 100.459 16.572 58.478 1.00 45.70 ? 349 GLU A CA 1 ATOM 2682 C C . GLU A 1 349 ? 101.800 15.902 58.138 1.00 43.98 ? 349 GLU A C 1 ATOM 2683 O O . GLU A 1 349 ? 102.004 15.378 57.013 1.00 43.88 ? 349 GLU A O 1 ATOM 2684 C CB . GLU A 1 349 ? 100.556 18.115 58.492 1.00 45.73 ? 349 GLU A CB 1 ATOM 2685 C CG . GLU A 1 349 ? 99.178 18.771 58.247 1.00 50.31 ? 349 GLU A CG 1 ATOM 2686 C CD . GLU A 1 349 ? 99.093 20.240 58.620 1.00 50.71 ? 349 GLU A CD 1 ATOM 2687 O OE1 . GLU A 1 349 ? 98.298 20.940 57.968 1.00 55.85 ? 349 GLU A OE1 1 ATOM 2688 O OE2 . GLU A 1 349 ? 99.789 20.708 59.546 1.00 52.40 ? 349 GLU A OE2 1 ATOM 2689 N N . PHE A 1 350 ? 102.702 15.909 59.118 1.00 42.89 ? 350 PHE A N 1 ATOM 2690 C CA . PHE A 1 350 ? 103.989 15.171 58.997 1.00 41.79 ? 350 PHE A CA 1 ATOM 2691 C C . PHE A 1 350 ? 103.781 13.743 58.513 1.00 41.42 ? 350 PHE A C 1 ATOM 2692 O O . PHE A 1 350 ? 104.329 13.311 57.446 1.00 40.07 ? 350 PHE A O 1 ATOM 2693 C CB . PHE A 1 350 ? 104.735 15.163 60.306 1.00 41.21 ? 350 PHE A CB 1 ATOM 2694 C CG . PHE A 1 350 ? 106.077 14.472 60.218 1.00 40.83 ? 350 PHE A CG 1 ATOM 2695 C CD1 . PHE A 1 350 ? 107.204 15.185 59.822 1.00 37.45 ? 350 PHE A CD1 1 ATOM 2696 C CD2 . PHE A 1 350 ? 106.198 13.092 60.496 1.00 40.39 ? 350 PHE A CD2 1 ATOM 2697 C CE1 . PHE A 1 350 ? 108.485 14.538 59.724 1.00 38.89 ? 350 PHE A CE1 1 ATOM 2698 C CE2 . PHE A 1 350 ? 107.461 12.437 60.395 1.00 41.95 ? 350 PHE A CE2 1 ATOM 2699 C CZ . PHE A 1 350 ? 108.608 13.173 60.036 1.00 37.01 ? 350 PHE A CZ 1 ATOM 2700 N N . GLN A 1 351 ? 102.936 13.016 59.264 1.00 41.07 ? 351 GLN A N 1 ATOM 2701 C CA . GLN A 1 351 ? 102.574 11.642 58.896 1.00 41.65 ? 351 GLN A CA 1 ATOM 2702 C C . GLN A 1 351 ? 102.004 11.529 57.477 1.00 41.73 ? 351 GLN A C 1 ATOM 2703 O O . GLN A 1 351 ? 102.315 10.574 56.728 1.00 40.61 ? 351 GLN A O 1 ATOM 2704 C CB . GLN A 1 351 ? 101.594 11.055 59.940 1.00 42.76 ? 351 GLN A CB 1 ATOM 2705 C CG . GLN A 1 351 ? 102.226 10.800 61.341 1.00 45.37 ? 351 GLN A CG 1 ATOM 2706 C CD . GLN A 1 351 ? 101.190 10.419 62.402 1.00 49.68 ? 351 GLN A CD 1 ATOM 2707 O OE1 . GLN A 1 351 ? 100.161 11.087 62.547 1.00 50.48 ? 351 GLN A OE1 1 ATOM 2708 N NE2 . GLN A 1 351 ? 101.482 9.371 63.163 1.00 51.56 ? 351 GLN A NE2 1 ATOM 2709 N N . GLU A 1 352 ? 101.166 12.511 57.101 1.00 41.84 ? 352 GLU A N 1 ATOM 2710 C CA . GLU A 1 352 ? 100.578 12.540 55.745 1.00 42.23 ? 352 GLU A CA 1 ATOM 2711 C C . GLU A 1 352 ? 101.663 12.849 54.724 1.00 40.78 ? 352 GLU A C 1 ATOM 2712 O O . GLU A 1 352 ? 101.689 12.259 53.635 1.00 41.59 ? 352 GLU A O 1 ATOM 2713 C CB . GLU A 1 352 ? 99.432 13.590 55.644 1.00 43.68 ? 352 GLU A CB 1 ATOM 2714 C CG . GLU A 1 352 ? 98.069 13.167 56.237 1.00 48.42 ? 352 GLU A CG 1 ATOM 2715 C CD . GLU A 1 352 ? 97.600 11.761 55.817 1.00 55.40 ? 352 GLU A CD 1 ATOM 2716 O OE1 . GLU A 1 352 ? 97.588 11.428 54.583 1.00 56.52 ? 352 GLU A OE1 1 ATOM 2717 O OE2 . GLU A 1 352 ? 97.220 10.974 56.735 1.00 58.57 ? 352 GLU A OE2 1 ATOM 2718 N N . GLY A 1 353 ? 102.568 13.749 55.079 1.00 39.31 ? 353 GLY A N 1 ATOM 2719 C CA . GLY A 1 353 ? 103.743 14.049 54.204 1.00 39.79 ? 353 GLY A CA 1 ATOM 2720 C C . GLY A 1 353 ? 104.610 12.833 53.916 1.00 39.62 ? 353 GLY A C 1 ATOM 2721 O O . GLY A 1 353 ? 105.068 12.655 52.779 1.00 40.32 ? 353 GLY A O 1 ATOM 2722 N N . LEU A 1 354 ? 104.801 11.963 54.925 1.00 39.16 ? 354 LEU A N 1 ATOM 2723 C CA . LEU A 1 354 ? 105.519 10.709 54.705 1.00 39.70 ? 354 LEU A CA 1 ATOM 2724 C C . LEU A 1 354 ? 104.807 9.857 53.704 1.00 39.58 ? 354 LEU A C 1 ATOM 2725 O O . LEU A 1 354 ? 105.430 9.126 52.941 1.00 39.76 ? 354 LEU A O 1 ATOM 2726 C CB . LEU A 1 354 ? 105.743 9.883 55.993 1.00 38.77 ? 354 LEU A CB 1 ATOM 2727 C CG . LEU A 1 354 ? 106.613 10.454 57.103 1.00 39.95 ? 354 LEU A CG 1 ATOM 2728 C CD1 . LEU A 1 354 ? 106.771 9.431 58.230 1.00 39.34 ? 354 LEU A CD1 1 ATOM 2729 C CD2 . LEU A 1 354 ? 107.984 10.891 56.568 1.00 39.69 ? 354 LEU A CD2 1 ATOM 2730 N N . LYS A 1 355 ? 103.483 9.930 53.696 1.00 41.41 ? 355 LYS A N 1 ATOM 2731 C CA . LYS A 1 355 ? 102.739 9.131 52.741 1.00 42.16 ? 355 LYS A CA 1 ATOM 2732 C C . LYS A 1 355 ? 102.994 9.664 51.320 1.00 42.56 ? 355 LYS A C 1 ATOM 2733 O O . LYS A 1 355 ? 103.136 8.886 50.375 1.00 43.82 ? 355 LYS A O 1 ATOM 2734 C CB . LYS A 1 355 ? 101.249 9.112 53.103 1.00 42.69 ? 355 LYS A CB 1 ATOM 2735 C CG . LYS A 1 355 ? 100.811 7.943 53.949 1.00 46.34 ? 355 LYS A CG 1 ATOM 2736 C CD . LYS A 1 355 ? 99.389 7.450 53.462 1.00 51.47 ? 355 LYS A CD 1 ATOM 2737 C CE . LYS A 1 355 ? 98.242 7.904 54.384 0.50 53.45 ? 355 LYS A CE 1 ATOM 2738 N NZ . LYS A 1 355 ? 96.861 7.423 53.922 1.00 54.96 ? 355 LYS A NZ 1 ATOM 2739 N N . ILE A 1 356 ? 103.061 10.988 51.184 1.00 43.83 ? 356 ILE A N 1 ATOM 2740 C CA . ILE A 1 356 ? 103.408 11.633 49.911 1.00 44.71 ? 356 ILE A CA 1 ATOM 2741 C C . ILE A 1 356 ? 104.788 11.159 49.482 1.00 44.48 ? 356 ILE A C 1 ATOM 2742 O O . ILE A 1 356 ? 104.954 10.656 48.395 1.00 44.90 ? 356 ILE A O 1 ATOM 2743 C CB . ILE A 1 356 ? 103.364 13.196 49.999 1.00 45.08 ? 356 ILE A CB 1 ATOM 2744 C CG1 . ILE A 1 356 ? 101.958 13.760 50.333 1.00 46.51 ? 356 ILE A CG1 1 ATOM 2745 C CG2 . ILE A 1 356 ? 103.908 13.841 48.693 1.00 46.44 ? 356 ILE A CG2 1 ATOM 2746 C CD1 . ILE A 1 356 ? 100.794 13.166 49.578 1.00 49.02 ? 356 ILE A CD1 1 ATOM 2747 N N . PHE A 1 357 ? 105.775 11.238 50.371 1.00 44.98 ? 357 PHE A N 1 ATOM 2748 C CA . PHE A 1 357 ? 107.155 10.921 49.961 1.00 43.67 ? 357 PHE A CA 1 ATOM 2749 C C . PHE A 1 357 ? 107.557 9.443 49.937 1.00 44.27 ? 357 PHE A C 1 ATOM 2750 O O . PHE A 1 357 ? 108.565 9.075 49.324 1.00 43.59 ? 357 PHE A O 1 ATOM 2751 C CB . PHE A 1 357 ? 108.114 11.785 50.792 1.00 44.12 ? 357 PHE A CB 1 ATOM 2752 C CG . PHE A 1 357 ? 108.135 13.215 50.332 1.00 42.43 ? 357 PHE A CG 1 ATOM 2753 C CD1 . PHE A 1 357 ? 108.841 13.568 49.182 1.00 42.20 ? 357 PHE A CD1 1 ATOM 2754 C CD2 . PHE A 1 357 ? 107.385 14.181 50.994 1.00 43.06 ? 357 PHE A CD2 1 ATOM 2755 C CE1 . PHE A 1 357 ? 108.827 14.888 48.704 1.00 39.22 ? 357 PHE A CE1 1 ATOM 2756 C CE2 . PHE A 1 357 ? 107.348 15.528 50.534 1.00 41.86 ? 357 PHE A CE2 1 ATOM 2757 C CZ . PHE A 1 357 ? 108.076 15.880 49.401 1.00 39.60 ? 357 PHE A CZ 1 ATOM 2758 N N . PHE A 1 358 ? 106.767 8.595 50.597 1.00 44.42 ? 358 PHE A N 1 ATOM 2759 C CA . PHE A 1 358 ? 107.075 7.174 50.718 1.00 45.29 ? 358 PHE A CA 1 ATOM 2760 C C . PHE A 1 358 ? 105.810 6.318 50.467 1.00 47.60 ? 358 PHE A C 1 ATOM 2761 O O . PHE A 1 358 ? 105.339 5.579 51.360 1.00 47.73 ? 358 PHE A O 1 ATOM 2762 C CB . PHE A 1 358 ? 107.648 6.895 52.111 1.00 43.66 ? 358 PHE A CB 1 ATOM 2763 C CG . PHE A 1 358 ? 108.955 7.598 52.388 1.00 40.44 ? 358 PHE A CG 1 ATOM 2764 C CD1 . PHE A 1 358 ? 108.966 8.873 52.963 1.00 38.62 ? 358 PHE A CD1 1 ATOM 2765 C CD2 . PHE A 1 358 ? 110.181 6.977 52.090 1.00 36.54 ? 358 PHE A CD2 1 ATOM 2766 C CE1 . PHE A 1 358 ? 110.188 9.535 53.252 1.00 33.89 ? 358 PHE A CE1 1 ATOM 2767 C CE2 . PHE A 1 358 ? 111.387 7.613 52.380 1.00 32.72 ? 358 PHE A CE2 1 ATOM 2768 C CZ . PHE A 1 358 ? 111.399 8.873 52.965 1.00 34.69 ? 358 PHE A CZ 1 ATOM 2769 N N . PRO A 1 359 ? 105.275 6.409 49.243 1.00 49.37 ? 359 PRO A N 1 ATOM 2770 C CA . PRO A 1 359 ? 103.951 5.898 48.958 1.00 50.46 ? 359 PRO A CA 1 ATOM 2771 C C . PRO A 1 359 ? 103.841 4.379 49.002 1.00 51.10 ? 359 PRO A C 1 ATOM 2772 O O . PRO A 1 359 ? 102.801 3.855 49.456 1.00 52.41 ? 359 PRO A O 1 ATOM 2773 C CB . PRO A 1 359 ? 103.651 6.460 47.542 1.00 51.18 ? 359 PRO A CB 1 ATOM 2774 C CG . PRO A 1 359 ? 104.982 6.686 46.908 1.00 49.11 ? 359 PRO A CG 1 ATOM 2775 C CD . PRO A 1 359 ? 105.903 6.999 48.040 1.00 49.21 ? 359 PRO A CD 1 ATOM 2776 N N . GLY A 1 360 ? 104.867 3.664 48.557 1.00 50.93 ? 360 GLY A N 1 ATOM 2777 C CA . GLY A 1 360 ? 104.775 2.185 48.556 1.00 51.38 ? 360 GLY A CA 1 ATOM 2778 C C . GLY A 1 360 ? 105.429 1.518 49.768 1.00 51.28 ? 360 GLY A C 1 ATOM 2779 O O . GLY A 1 360 ? 105.831 0.345 49.705 1.00 52.64 ? 360 GLY A O 1 ATOM 2780 N N . VAL A 1 361 ? 105.546 2.271 50.860 1.00 49.22 ? 361 VAL A N 1 ATOM 2781 C CA . VAL A 1 361 ? 106.308 1.850 52.024 1.00 46.35 ? 361 VAL A CA 1 ATOM 2782 C C . VAL A 1 361 ? 105.332 1.381 53.092 1.00 45.86 ? 361 VAL A C 1 ATOM 2783 O O . VAL A 1 361 ? 104.305 2.031 53.328 1.00 45.19 ? 361 VAL A O 1 ATOM 2784 C CB . VAL A 1 361 ? 107.274 2.994 52.582 1.00 45.52 ? 361 VAL A CB 1 ATOM 2785 C CG1 . VAL A 1 361 ? 107.819 2.633 53.948 1.00 44.65 ? 361 VAL A CG1 1 ATOM 2786 C CG2 . VAL A 1 361 ? 108.446 3.241 51.611 1.00 42.55 ? 361 VAL A CG2 1 ATOM 2787 N N . SER A 1 362 ? 105.684 0.263 53.746 1.00 45.50 ? 362 SER A N 1 ATOM 2788 C CA . SER A 1 362 ? 104.862 -0.341 54.793 1.00 44.77 ? 362 SER A CA 1 ATOM 2789 C C . SER A 1 362 ? 104.572 0.675 55.855 1.00 45.20 ? 362 SER A C 1 ATOM 2790 O O . SER A 1 362 ? 105.343 1.632 56.042 1.00 45.60 ? 362 SER A O 1 ATOM 2791 C CB . SER A 1 362 ? 105.592 -1.549 55.391 1.00 44.85 ? 362 SER A CB 1 ATOM 2792 O OG . SER A 1 362 ? 106.693 -1.153 56.182 1.00 43.52 ? 362 SER A OG 1 ATOM 2793 N N . GLU A 1 363 ? 103.477 0.486 56.585 1.00 45.16 ? 363 GLU A N 1 ATOM 2794 C CA . GLU A 1 363 ? 103.179 1.352 57.720 1.00 45.21 ? 363 GLU A CA 1 ATOM 2795 C C . GLU A 1 363 ? 104.312 1.347 58.767 1.00 43.70 ? 363 GLU A C 1 ATOM 2796 O O . GLU A 1 363 ? 104.644 2.389 59.348 1.00 44.35 ? 363 GLU A O 1 ATOM 2797 C CB . GLU A 1 363 ? 101.845 0.916 58.360 1.00 46.56 ? 363 GLU A CB 1 ATOM 2798 C CG A GLU A 1 363 ? 100.771 2.005 58.406 0.50 48.30 ? 363 GLU A CG 1 ATOM 2799 C CG B GLU A 1 363 ? 100.995 2.089 58.860 0.50 49.89 ? 363 GLU A CG 1 ATOM 2800 C CD A GLU A 1 363 ? 100.529 2.701 57.070 0.50 48.71 ? 363 GLU A CD 1 ATOM 2801 C CD B GLU A 1 363 ? 101.187 2.412 60.334 0.50 52.84 ? 363 GLU A CD 1 ATOM 2802 O OE1 A GLU A 1 363 ? 100.202 3.899 57.101 0.50 48.23 ? 363 GLU A OE1 1 ATOM 2803 O OE1 B GLU A 1 363 ? 100.950 3.580 60.734 0.50 52.62 ? 363 GLU A OE1 1 ATOM 2804 O OE2 A GLU A 1 363 ? 100.666 2.070 55.997 0.50 48.99 ? 363 GLU A OE2 1 ATOM 2805 O OE2 B GLU A 1 363 ? 101.563 1.499 61.096 0.50 54.44 ? 363 GLU A OE2 1 ATOM 2806 N N . PHE A 1 364 ? 104.865 0.165 59.049 1.00 41.76 ? 364 PHE A N 1 ATOM 2807 C CA . PHE A 1 364 ? 106.028 0.048 59.948 1.00 39.79 ? 364 PHE A CA 1 ATOM 2808 C C . PHE A 1 364 ? 107.230 0.881 59.427 1.00 38.19 ? 364 PHE A C 1 ATOM 2809 O O . PHE A 1 364 ? 107.860 1.579 60.180 1.00 37.79 ? 364 PHE A O 1 ATOM 2810 C CB . PHE A 1 364 ? 106.404 -1.431 60.142 1.00 40.35 ? 364 PHE A CB 1 ATOM 2811 C CG . PHE A 1 364 ? 107.729 -1.640 60.866 1.00 40.25 ? 364 PHE A CG 1 ATOM 2812 C CD1 . PHE A 1 364 ? 108.864 -2.018 60.160 1.00 39.00 ? 364 PHE A CD1 1 ATOM 2813 C CD2 . PHE A 1 364 ? 107.826 -1.436 62.222 1.00 39.39 ? 364 PHE A CD2 1 ATOM 2814 C CE1 . PHE A 1 364 ? 110.095 -2.203 60.830 1.00 39.28 ? 364 PHE A CE1 1 ATOM 2815 C CE2 . PHE A 1 364 ? 109.049 -1.597 62.877 1.00 42.44 ? 364 PHE A CE2 1 ATOM 2816 C CZ . PHE A 1 364 ? 110.181 -1.987 62.158 1.00 38.86 ? 364 PHE A CZ 1 ATOM 2817 N N . GLY A 1 365 ? 107.513 0.821 58.131 1.00 38.86 ? 365 GLY A N 1 ATOM 2818 C CA . GLY A 1 365 ? 108.575 1.657 57.515 1.00 38.07 ? 365 GLY A CA 1 ATOM 2819 C C . GLY A 1 365 ? 108.388 3.126 57.865 1.00 38.04 ? 365 GLY A C 1 ATOM 2820 O O . GLY A 1 365 ? 109.316 3.808 58.365 1.00 37.36 ? 365 GLY A O 1 ATOM 2821 N N . LYS A 1 366 ? 107.154 3.599 57.682 1.00 37.57 ? 366 LYS A N 1 ATOM 2822 C CA . LYS A 1 366 ? 106.842 4.994 57.945 1.00 37.75 ? 366 LYS A CA 1 ATOM 2823 C C . LYS A 1 366 ? 106.925 5.361 59.387 1.00 37.16 ? 366 LYS A C 1 ATOM 2824 O O . LYS A 1 366 ? 107.420 6.456 59.695 1.00 36.51 ? 366 LYS A O 1 ATOM 2825 C CB . LYS A 1 366 ? 105.486 5.408 57.363 1.00 38.65 ? 366 LYS A CB 1 ATOM 2826 C CG . LYS A 1 366 ? 105.477 5.448 55.837 1.00 41.89 ? 366 LYS A CG 1 ATOM 2827 C CD . LYS A 1 366 ? 104.082 5.794 55.323 1.00 47.31 ? 366 LYS A CD 1 ATOM 2828 C CE . LYS A 1 366 ? 103.350 4.512 54.901 1.00 51.23 ? 366 LYS A CE 1 ATOM 2829 N NZ . LYS A 1 366 ? 102.460 4.795 53.754 1.00 53.94 ? 366 LYS A NZ 1 ATOM 2830 N N . GLU A 1 367 ? 106.419 4.494 60.279 1.00 36.70 ? 367 GLU A N 1 ATOM 2831 C CA . GLU A 1 367 ? 106.522 4.737 61.730 1.00 36.95 ? 367 GLU A CA 1 ATOM 2832 C C . GLU A 1 367 ? 108.003 4.847 62.168 1.00 35.70 ? 367 GLU A C 1 ATOM 2833 O O . GLU A 1 367 ? 108.391 5.710 63.004 1.00 36.73 ? 367 GLU A O 1 ATOM 2834 C CB . GLU A 1 367 ? 105.851 3.595 62.552 1.00 36.82 ? 367 GLU A CB 1 ATOM 2835 C CG A GLU A 1 367 ? 105.776 3.868 64.053 0.50 39.11 ? 367 GLU A CG 1 ATOM 2836 C CG B GLU A 1 367 ? 104.329 3.576 62.619 0.50 38.11 ? 367 GLU A CG 1 ATOM 2837 C CD A GLU A 1 367 ? 104.873 5.013 64.487 0.50 43.59 ? 367 GLU A CD 1 ATOM 2838 C CD B GLU A 1 367 ? 103.801 2.534 63.618 0.50 39.71 ? 367 GLU A CD 1 ATOM 2839 O OE1 A GLU A 1 367 ? 105.101 5.566 65.599 0.50 45.52 ? 367 GLU A OE1 1 ATOM 2840 O OE1 B GLU A 1 367 ? 104.082 1.323 63.465 0.50 37.99 ? 367 GLU A OE1 1 ATOM 2841 O OE2 A GLU A 1 367 ? 103.919 5.356 63.755 0.50 43.26 ? 367 GLU A OE2 1 ATOM 2842 O OE2 B GLU A 1 367 ? 103.099 2.927 64.577 0.50 43.29 ? 367 GLU A OE2 1 ATOM 2843 N N . SER A 1 368 ? 108.821 3.982 61.584 1.00 35.80 ? 368 SER A N 1 ATOM 2844 C CA . SER A 1 368 ? 110.273 3.950 61.853 1.00 35.38 ? 368 SER A CA 1 ATOM 2845 C C . SER A 1 368 ? 110.940 5.293 61.470 1.00 34.98 ? 368 SER A C 1 ATOM 2846 O O . SER A 1 368 ? 111.763 5.830 62.238 1.00 34.93 ? 368 SER A O 1 ATOM 2847 C CB . SER A 1 368 ? 110.888 2.718 61.163 1.00 35.20 ? 368 SER A CB 1 ATOM 2848 O OG . SER A 1 368 ? 111.366 3.021 59.873 1.00 34.77 ? 368 SER A OG 1 ATOM 2849 N N . ILE A 1 369 ? 110.494 5.901 60.353 1.00 34.93 ? 369 ILE A N 1 ATOM 2850 C CA . ILE A 1 369 ? 110.997 7.233 59.986 1.00 34.11 ? 369 ILE A CA 1 ATOM 2851 C C . ILE A 1 369 ? 110.576 8.227 61.058 1.00 33.93 ? 369 ILE A C 1 ATOM 2852 O O . ILE A 1 369 ? 111.369 9.015 61.579 1.00 33.68 ? 369 ILE A O 1 ATOM 2853 C CB . ILE A 1 369 ? 110.489 7.737 58.616 1.00 33.90 ? 369 ILE A CB 1 ATOM 2854 C CG1 . ILE A 1 369 ? 110.859 6.794 57.471 1.00 34.18 ? 369 ILE A CG1 1 ATOM 2855 C CG2 . ILE A 1 369 ? 111.068 9.103 58.370 1.00 32.47 ? 369 ILE A CG2 1 ATOM 2856 C CD1 . ILE A 1 369 ? 110.207 7.229 56.161 1.00 36.58 ? 369 ILE A CD1 1 ATOM 2857 N N . LEU A 1 370 ? 109.300 8.180 61.395 1.00 35.00 ? 370 LEU A N 1 ATOM 2858 C CA . LEU A 1 370 ? 108.786 9.069 62.383 1.00 36.43 ? 370 LEU A CA 1 ATOM 2859 C C . LEU A 1 370 ? 109.491 8.866 63.712 1.00 36.13 ? 370 LEU A C 1 ATOM 2860 O O . LEU A 1 370 ? 109.773 9.819 64.401 1.00 36.01 ? 370 LEU A O 1 ATOM 2861 C CB . LEU A 1 370 ? 107.276 8.847 62.521 1.00 37.35 ? 370 LEU A CB 1 ATOM 2862 C CG . LEU A 1 370 ? 106.594 9.645 63.627 1.00 39.07 ? 370 LEU A CG 1 ATOM 2863 C CD1 . LEU A 1 370 ? 105.324 10.268 63.149 1.00 42.49 ? 370 LEU A CD1 1 ATOM 2864 C CD2 . LEU A 1 370 ? 106.310 8.749 64.774 1.00 42.61 ? 370 LEU A CD2 1 ATOM 2865 N N . PHE A 1 371 ? 109.702 7.613 64.099 1.00 37.68 ? 371 PHE A N 1 ATOM 2866 C CA . PHE A 1 371 ? 110.452 7.330 65.343 1.00 38.54 ? 371 PHE A CA 1 ATOM 2867 C C . PHE A 1 371 ? 111.823 8.002 65.297 1.00 37.44 ? 371 PHE A C 1 ATOM 2868 O O . PHE A 1 371 ? 112.259 8.661 66.263 1.00 36.45 ? 371 PHE A O 1 ATOM 2869 C CB . PHE A 1 371 ? 110.660 5.817 65.527 1.00 39.30 ? 371 PHE A CB 1 ATOM 2870 C CG . PHE A 1 371 ? 111.333 5.463 66.822 1.00 43.71 ? 371 PHE A CG 1 ATOM 2871 C CD1 . PHE A 1 371 ? 112.711 5.167 66.860 1.00 46.70 ? 371 PHE A CD1 1 ATOM 2872 C CD2 . PHE A 1 371 ? 110.597 5.458 68.028 1.00 46.17 ? 371 PHE A CD2 1 ATOM 2873 C CE1 . PHE A 1 371 ? 113.355 4.867 68.090 1.00 48.64 ? 371 PHE A CE1 1 ATOM 2874 C CE2 . PHE A 1 371 ? 111.246 5.175 69.278 1.00 50.74 ? 371 PHE A CE2 1 ATOM 2875 C CZ . PHE A 1 371 ? 112.601 4.856 69.315 1.00 46.56 ? 371 PHE A CZ 1 ATOM 2876 N N . HIS A 1 372 ? 112.522 7.811 64.181 1.00 37.29 ? 372 HIS A N 1 ATOM 2877 C CA . HIS A 1 372 ? 113.908 8.323 64.129 1.00 38.36 ? 372 HIS A CA 1 ATOM 2878 C C . HIS A 1 372 ? 114.022 9.857 64.076 1.00 39.26 ? 372 HIS A C 1 ATOM 2879 O O . HIS A 1 372 ? 114.927 10.453 64.704 1.00 39.42 ? 372 HIS A O 1 ATOM 2880 C CB A HIS A 1 372 ? 114.699 7.707 62.969 0.50 37.53 ? 372 HIS A CB 1 ATOM 2881 C CB B HIS A 1 372 ? 114.770 7.489 63.171 0.50 38.14 ? 372 HIS A CB 1 ATOM 2882 C CG A HIS A 1 372 ? 116.169 7.992 63.044 0.50 38.47 ? 372 HIS A CG 1 ATOM 2883 C CG B HIS A 1 372 ? 115.062 6.104 63.704 0.50 39.92 ? 372 HIS A CG 1 ATOM 2884 N ND1 A HIS A 1 372 ? 117.051 7.197 63.747 0.50 37.00 ? 372 HIS A ND1 1 ATOM 2885 N ND1 B HIS A 1 372 ? 114.218 5.027 63.501 0.50 40.57 ? 372 HIS A ND1 1 ATOM 2886 C CD2 A HIS A 1 372 ? 116.902 9.015 62.541 0.50 37.65 ? 372 HIS A CD2 1 ATOM 2887 C CD2 B HIS A 1 372 ? 116.080 5.637 64.474 0.50 39.27 ? 372 HIS A CD2 1 ATOM 2888 C CE1 A HIS A 1 372 ? 118.263 7.710 63.659 0.50 37.13 ? 372 HIS A CE1 1 ATOM 2889 C CE1 B HIS A 1 372 ? 114.732 3.950 64.070 0.50 40.17 ? 372 HIS A CE1 1 ATOM 2890 N NE2 A HIS A 1 372 ? 118.196 8.818 62.939 0.50 35.96 ? 372 HIS A NE2 1 ATOM 2891 N NE2 B HIS A 1 372 ? 115.850 4.296 64.686 0.50 38.18 ? 372 HIS A NE2 1 ATOM 2892 N N . TYR A 1 373 ? 113.022 10.515 63.483 1.00 39.79 ? 373 TYR A N 1 ATOM 2893 C CA . TYR A 1 373 ? 113.087 11.973 63.294 1.00 40.90 ? 373 TYR A CA 1 ATOM 2894 C C . TYR A 1 373 ? 112.272 12.845 64.248 1.00 43.36 ? 373 TYR A C 1 ATOM 2895 O O . TYR A 1 373 ? 112.300 14.061 64.115 1.00 44.28 ? 373 TYR A O 1 ATOM 2896 C CB . TYR A 1 373 ? 112.699 12.309 61.841 1.00 39.73 ? 373 TYR A CB 1 ATOM 2897 C CG . TYR A 1 373 ? 113.860 12.116 60.903 1.00 38.60 ? 373 TYR A CG 1 ATOM 2898 C CD1 . TYR A 1 373 ? 114.722 13.193 60.602 1.00 37.61 ? 373 TYR A CD1 1 ATOM 2899 C CD2 . TYR A 1 373 ? 114.134 10.851 60.345 1.00 35.71 ? 373 TYR A CD2 1 ATOM 2900 C CE1 . TYR A 1 373 ? 115.815 13.031 59.717 1.00 37.15 ? 373 TYR A CE1 1 ATOM 2901 C CE2 . TYR A 1 373 ? 115.214 10.673 59.481 1.00 36.01 ? 373 TYR A CE2 1 ATOM 2902 C CZ . TYR A 1 373 ? 116.063 11.782 59.183 1.00 36.22 ? 373 TYR A CZ 1 ATOM 2903 O OH . TYR A 1 373 ? 117.143 11.609 58.352 1.00 32.66 ? 373 TYR A OH 1 ATOM 2904 N N . THR A 1 374 ? 111.521 12.260 65.184 1.00 46.47 ? 374 THR A N 1 ATOM 2905 C CA . THR A 1 374 ? 110.664 13.090 66.076 1.00 50.13 ? 374 THR A CA 1 ATOM 2906 C C . THR A 1 374 ? 111.033 12.958 67.539 1.00 52.99 ? 374 THR A C 1 ATOM 2907 O O . THR A 1 374 ? 110.186 13.127 68.425 1.00 52.26 ? 374 THR A O 1 ATOM 2908 C CB . THR A 1 374 ? 109.156 12.768 65.926 1.00 49.91 ? 374 THR A CB 1 ATOM 2909 O OG1 . THR A 1 374 ? 108.984 11.360 66.081 1.00 51.41 ? 374 THR A OG1 1 ATOM 2910 C CG2 . THR A 1 374 ? 108.675 13.032 64.521 1.00 49.60 ? 374 THR A CG2 1 ATOM 2911 N N . ASP A 1 375 ? 112.289 12.638 67.791 1.00 56.96 ? 375 ASP A N 1 ATOM 2912 C CA . ASP A 1 375 ? 112.794 12.659 69.146 1.00 61.31 ? 375 ASP A CA 1 ATOM 2913 C C . ASP A 1 375 ? 113.388 14.051 69.375 1.00 63.08 ? 375 ASP A C 1 ATOM 2914 O O . ASP A 1 375 ? 114.562 14.317 69.052 1.00 63.74 ? 375 ASP A O 1 ATOM 2915 C CB . ASP A 1 375 ? 113.826 11.555 69.354 1.00 62.11 ? 375 ASP A CB 1 ATOM 2916 C CG . ASP A 1 375 ? 114.236 11.429 70.794 1.00 65.87 ? 375 ASP A CG 1 ATOM 2917 O OD1 . ASP A 1 375 ? 113.318 11.497 71.662 1.00 67.56 ? 375 ASP A OD1 1 ATOM 2918 O OD2 . ASP A 1 375 ? 115.445 11.271 71.139 1.00 68.47 ? 375 ASP A OD2 1 ATOM 2919 N N . TRP A 1 376 ? 112.550 14.930 69.919 1.00 65.18 ? 376 TRP A N 1 ATOM 2920 C CA . TRP A 1 376 ? 112.802 16.363 69.967 1.00 67.15 ? 376 TRP A CA 1 ATOM 2921 C C . TRP A 1 376 ? 113.766 16.793 71.082 1.00 69.31 ? 376 TRP A C 1 ATOM 2922 O O . TRP A 1 376 ? 113.685 16.294 72.221 1.00 70.12 ? 376 TRP A O 1 ATOM 2923 C CB . TRP A 1 376 ? 111.486 17.111 70.157 1.00 66.65 ? 376 TRP A CB 1 ATOM 2924 C CG . TRP A 1 376 ? 110.377 16.771 69.202 1.00 64.53 ? 376 TRP A CG 1 ATOM 2925 C CD1 . TRP A 1 376 ? 109.097 16.446 69.536 1.00 63.08 ? 376 TRP A CD1 1 ATOM 2926 C CD2 . TRP A 1 376 ? 110.428 16.772 67.760 1.00 61.53 ? 376 TRP A CD2 1 ATOM 2927 N NE1 . TRP A 1 376 ? 108.355 16.218 68.402 1.00 63.10 ? 376 TRP A NE1 1 ATOM 2928 C CE2 . TRP A 1 376 ? 109.144 16.414 67.298 1.00 60.93 ? 376 TRP A CE2 1 ATOM 2929 C CE3 . TRP A 1 376 ? 111.433 17.013 66.815 1.00 59.27 ? 376 TRP A CE3 1 ATOM 2930 C CZ2 . TRP A 1 376 ? 108.836 16.304 65.945 1.00 60.55 ? 376 TRP A CZ2 1 ATOM 2931 C CZ3 . TRP A 1 376 ? 111.124 16.896 65.470 1.00 57.96 ? 376 TRP A CZ3 1 ATOM 2932 C CH2 . TRP A 1 376 ? 109.839 16.550 65.048 1.00 58.69 ? 376 TRP A CH2 1 ATOM 2933 N N . VAL A 1 377 ? 114.639 17.747 70.741 1.00 71.17 ? 377 VAL A N 1 ATOM 2934 C CA . VAL A 1 377 ? 115.706 18.245 71.623 1.00 72.72 ? 377 VAL A CA 1 ATOM 2935 C C . VAL A 1 377 ? 115.275 19.536 72.322 1.00 73.36 ? 377 VAL A C 1 ATOM 2936 O O . VAL A 1 377 ? 114.088 19.728 72.632 1.00 74.53 ? 377 VAL A O 1 ATOM 2937 C CB . VAL A 1 377 ? 117.035 18.506 70.839 1.00 72.93 ? 377 VAL A CB 1 ATOM 2938 C CG1 . VAL A 1 377 ? 118.226 18.662 71.812 1.00 74.21 ? 377 VAL A CG1 1 ATOM 2939 C CG2 . VAL A 1 377 ? 117.324 17.387 69.796 1.00 73.41 ? 377 VAL A CG2 1 ATOM 2940 N N . GLN A 1 380 ? 106.712 20.992 71.875 1.00 63.58 ? 380 GLN A N 1 ATOM 2941 C CA . GLN A 1 380 ? 107.440 22.211 72.262 1.00 63.45 ? 380 GLN A CA 1 ATOM 2942 C C . GLN A 1 380 ? 107.517 23.220 71.082 1.00 62.96 ? 380 GLN A C 1 ATOM 2943 O O . GLN A 1 380 ? 106.542 23.956 70.809 1.00 62.46 ? 380 GLN A O 1 ATOM 2944 C CB . GLN A 1 380 ? 108.850 21.841 72.760 1.00 63.36 ? 380 GLN A CB 1 ATOM 2945 C CG . GLN A 1 380 ? 109.405 22.707 73.881 1.00 63.62 ? 380 GLN A CG 1 ATOM 2946 C CD . GLN A 1 380 ? 110.874 23.127 73.669 1.00 63.95 ? 380 GLN A CD 1 ATOM 2947 O OE1 . GLN A 1 380 ? 111.723 22.350 73.191 1.00 62.10 ? 380 GLN A OE1 1 ATOM 2948 N NE2 . GLN A 1 380 ? 111.169 24.364 74.044 1.00 64.63 ? 380 GLN A NE2 1 ATOM 2949 N N . ARG A 1 381 ? 108.680 23.224 70.406 1.00 62.32 ? 381 ARG A N 1 ATOM 2950 C CA . ARG A 1 381 ? 109.006 24.049 69.213 1.00 60.66 ? 381 ARG A CA 1 ATOM 2951 C C . ARG A 1 381 ? 108.028 23.861 68.053 1.00 58.64 ? 381 ARG A C 1 ATOM 2952 O O . ARG A 1 381 ? 107.844 22.742 67.545 1.00 58.98 ? 381 ARG A O 1 ATOM 2953 C CB . ARG A 1 381 ? 110.393 23.682 68.698 1.00 61.63 ? 381 ARG A CB 1 ATOM 2954 C CG . ARG A 1 381 ? 111.565 24.044 69.601 1.00 64.17 ? 381 ARG A CG 1 ATOM 2955 C CD . ARG A 1 381 ? 112.935 23.942 68.900 1.00 68.18 ? 381 ARG A CD 1 ATOM 2956 N NE . ARG A 1 381 ? 113.070 24.884 67.778 1.00 71.97 ? 381 ARG A NE 1 ATOM 2957 C CZ . ARG A 1 381 ? 113.028 24.562 66.476 1.00 73.42 ? 381 ARG A CZ 1 ATOM 2958 N NH1 . ARG A 1 381 ? 113.150 25.522 65.571 1.00 72.97 ? 381 ARG A NH1 1 ATOM 2959 N NH2 . ARG A 1 381 ? 112.873 23.295 66.070 1.00 73.52 ? 381 ARG A NH2 1 ATOM 2960 N N . PRO A 1 382 ? 107.409 24.949 67.615 1.00 56.68 ? 382 PRO A N 1 ATOM 2961 C CA . PRO A 1 382 ? 106.368 24.867 66.569 1.00 55.21 ? 382 PRO A CA 1 ATOM 2962 C C . PRO A 1 382 ? 106.850 24.353 65.205 1.00 53.52 ? 382 PRO A C 1 ATOM 2963 O O . PRO A 1 382 ? 106.072 23.715 64.498 1.00 52.50 ? 382 PRO A O 1 ATOM 2964 C CB . PRO A 1 382 ? 105.826 26.296 66.460 1.00 54.97 ? 382 PRO A CB 1 ATOM 2965 C CG . PRO A 1 382 ? 106.459 27.070 67.568 1.00 56.18 ? 382 PRO A CG 1 ATOM 2966 C CD . PRO A 1 382 ? 107.662 26.327 68.071 1.00 56.48 ? 382 PRO A CD 1 ATOM 2967 N N . GLU A 1 383 ? 108.106 24.629 64.843 1.00 52.78 ? 383 GLU A N 1 ATOM 2968 C CA . GLU A 1 383 ? 108.649 24.208 63.517 1.00 51.85 ? 383 GLU A CA 1 ATOM 2969 C C . GLU A 1 383 ? 109.319 22.826 63.488 1.00 50.54 ? 383 GLU A C 1 ATOM 2970 O O . GLU A 1 383 ? 109.896 22.423 62.440 1.00 49.16 ? 383 GLU A O 1 ATOM 2971 C CB . GLU A 1 383 ? 109.573 25.259 62.898 1.00 52.49 ? 383 GLU A CB 1 ATOM 2972 C CG . GLU A 1 383 ? 110.675 25.817 63.780 1.00 57.29 ? 383 GLU A CG 1 ATOM 2973 C CD . GLU A 1 383 ? 110.141 26.753 64.852 1.00 63.82 ? 383 GLU A CD 1 ATOM 2974 O OE1 . GLU A 1 383 ? 109.592 27.830 64.491 1.00 67.72 ? 383 GLU A OE1 1 ATOM 2975 O OE2 . GLU A 1 383 ? 110.247 26.402 66.057 1.00 65.44 ? 383 GLU A OE2 1 ATOM 2976 N N . ASN A 1 384 ? 109.212 22.111 64.624 1.00 48.43 ? 384 ASN A N 1 ATOM 2977 C CA . ASN A 1 384 ? 109.755 20.763 64.803 1.00 46.98 ? 384 ASN A CA 1 ATOM 2978 C C . ASN A 1 384 ? 109.408 19.851 63.646 1.00 44.66 ? 384 ASN A C 1 ATOM 2979 O O . ASN A 1 384 ? 110.301 19.365 62.939 1.00 44.40 ? 384 ASN A O 1 ATOM 2980 C CB . ASN A 1 384 ? 109.261 20.129 66.123 1.00 47.14 ? 384 ASN A CB 1 ATOM 2981 C CG . ASN A 1 384 ? 110.169 20.416 67.287 1.00 51.10 ? 384 ASN A CG 1 ATOM 2982 O OD1 . ASN A 1 384 ? 111.211 21.078 67.154 1.00 56.16 ? 384 ASN A OD1 1 ATOM 2983 N ND2 . ASN A 1 384 ? 109.783 19.915 68.469 1.00 55.25 ? 384 ASN A ND2 1 ATOM 2984 N N . TYR A 1 385 ? 108.115 19.647 63.437 1.00 42.96 ? 385 TYR A N 1 ATOM 2985 C CA . TYR A 1 385 ? 107.657 18.767 62.385 1.00 42.92 ? 385 TYR A CA 1 ATOM 2986 C C . TYR A 1 385 ? 108.003 19.238 60.954 1.00 41.55 ? 385 TYR A C 1 ATOM 2987 O O . TYR A 1 385 ? 108.335 18.412 60.099 1.00 39.36 ? 385 TYR A O 1 ATOM 2988 C CB . TYR A 1 385 ? 106.162 18.500 62.502 1.00 43.25 ? 385 TYR A CB 1 ATOM 2989 C CG . TYR A 1 385 ? 105.827 17.566 63.648 1.00 46.71 ? 385 TYR A CG 1 ATOM 2990 C CD1 . TYR A 1 385 ? 106.055 16.182 63.534 1.00 48.76 ? 385 TYR A CD1 1 ATOM 2991 C CD2 . TYR A 1 385 ? 105.267 18.058 64.836 1.00 48.94 ? 385 TYR A CD2 1 ATOM 2992 C CE1 . TYR A 1 385 ? 105.759 15.313 64.585 1.00 48.82 ? 385 TYR A CE1 1 ATOM 2993 C CE2 . TYR A 1 385 ? 104.943 17.200 65.886 1.00 49.00 ? 385 TYR A CE2 1 ATOM 2994 C CZ . TYR A 1 385 ? 105.195 15.827 65.745 1.00 49.55 ? 385 TYR A CZ 1 ATOM 2995 O OH . TYR A 1 385 ? 104.906 14.973 66.772 1.00 50.60 ? 385 TYR A OH 1 ATOM 2996 N N . ARG A 1 386 ? 107.898 20.551 60.721 1.00 39.76 ? 386 ARG A N 1 ATOM 2997 C CA . ARG A 1 386 ? 108.256 21.160 59.406 1.00 39.28 ? 386 ARG A CA 1 ATOM 2998 C C . ARG A 1 386 ? 109.746 20.883 59.067 1.00 37.57 ? 386 ARG A C 1 ATOM 2999 O O . ARG A 1 386 ? 110.071 20.482 57.967 1.00 37.80 ? 386 ARG A O 1 ATOM 3000 C CB . ARG A 1 386 ? 108.038 22.674 59.467 1.00 37.99 ? 386 ARG A CB 1 ATOM 3001 C CG . ARG A 1 386 ? 108.352 23.429 58.148 1.00 38.88 ? 386 ARG A CG 1 ATOM 3002 C CD . ARG A 1 386 ? 108.438 24.922 58.333 1.00 36.65 ? 386 ARG A CD 1 ATOM 3003 N NE . ARG A 1 386 ? 109.664 25.345 58.987 1.00 37.93 ? 386 ARG A NE 1 ATOM 3004 C CZ . ARG A 1 386 ? 109.827 26.514 59.629 1.00 38.66 ? 386 ARG A CZ 1 ATOM 3005 N NH1 . ARG A 1 386 ? 108.813 27.381 59.711 1.00 41.14 ? 386 ARG A NH1 1 ATOM 3006 N NH2 . ARG A 1 386 ? 110.994 26.802 60.200 1.00 35.46 ? 386 ARG A NH2 1 ATOM 3007 N N . GLU A 1 387 ? 110.615 21.124 60.040 1.00 37.42 ? 387 GLU A N 1 ATOM 3008 C CA . GLU A 1 387 ? 112.046 20.859 59.944 1.00 38.28 ? 387 GLU A CA 1 ATOM 3009 C C . GLU A 1 387 ? 112.344 19.397 59.773 1.00 36.19 ? 387 GLU A C 1 ATOM 3010 O O . GLU A 1 387 ? 113.230 19.055 58.985 1.00 35.00 ? 387 GLU A O 1 ATOM 3011 C CB . GLU A 1 387 ? 112.818 21.432 61.158 1.00 38.89 ? 387 GLU A CB 1 ATOM 3012 C CG . GLU A 1 387 ? 112.391 22.851 61.424 1.00 46.16 ? 387 GLU A CG 1 ATOM 3013 C CD . GLU A 1 387 ? 113.526 23.819 61.640 1.00 55.15 ? 387 GLU A CD 1 ATOM 3014 O OE1 . GLU A 1 387 ? 113.603 24.823 60.860 1.00 58.73 ? 387 GLU A OE1 1 ATOM 3015 O OE2 . GLU A 1 387 ? 114.306 23.597 62.596 1.00 57.17 ? 387 GLU A OE2 1 ATOM 3016 N N . ALA A 1 388 ? 111.590 18.529 60.466 1.00 34.19 ? 388 ALA A N 1 ATOM 3017 C CA . ALA A 1 388 ? 111.874 17.084 60.375 1.00 33.29 ? 388 ALA A CA 1 ATOM 3018 C C . ALA A 1 388 ? 111.572 16.526 58.991 1.00 33.44 ? 388 ALA A C 1 ATOM 3019 O O . ALA A 1 388 ? 112.325 15.687 58.500 1.00 32.82 ? 388 ALA A O 1 ATOM 3020 C CB . ALA A 1 388 ? 111.081 16.244 61.439 1.00 33.46 ? 388 ALA A CB 1 ATOM 3021 N N . LEU A 1 389 ? 110.455 16.943 58.394 1.00 32.17 ? 389 LEU A N 1 ATOM 3022 C CA . LEU A 1 389 ? 110.116 16.472 57.055 1.00 33.17 ? 389 LEU A CA 1 ATOM 3023 C C . LEU A 1 389 ? 111.143 16.830 55.971 1.00 31.81 ? 389 LEU A C 1 ATOM 3024 O O . LEU A 1 389 ? 111.478 16.007 55.109 1.00 32.74 ? 389 LEU A O 1 ATOM 3025 C CB . LEU A 1 389 ? 108.663 16.855 56.649 1.00 33.56 ? 389 LEU A CB 1 ATOM 3026 C CG . LEU A 1 389 ? 108.086 16.118 55.428 1.00 36.20 ? 389 LEU A CG 1 ATOM 3027 C CD1 . LEU A 1 389 ? 107.970 14.584 55.652 1.00 35.98 ? 389 LEU A CD1 1 ATOM 3028 C CD2 . LEU A 1 389 ? 106.721 16.729 55.018 1.00 36.54 ? 389 LEU A CD2 1 ATOM 3029 N N . GLY A 1 390 ? 111.648 18.050 56.027 1.00 32.44 ? 390 GLY A N 1 ATOM 3030 C CA . GLY A 1 390 ? 112.695 18.489 55.098 1.00 32.14 ? 390 GLY A CA 1 ATOM 3031 C C . GLY A 1 390 ? 113.946 17.659 55.298 1.00 31.51 ? 390 GLY A C 1 ATOM 3032 O O . GLY A 1 390 ? 114.577 17.243 54.345 1.00 30.29 ? 390 GLY A O 1 ATOM 3033 N N . ASP A 1 391 ? 114.299 17.397 56.550 1.00 32.78 ? 391 ASP A N 1 ATOM 3034 C CA . ASP A 1 391 ? 115.514 16.578 56.827 1.00 33.47 ? 391 ASP A CA 1 ATOM 3035 C C . ASP A 1 391 ? 115.328 15.139 56.368 1.00 32.61 ? 391 ASP A C 1 ATOM 3036 O O . ASP A 1 391 ? 116.195 14.578 55.711 1.00 33.66 ? 391 ASP A O 1 ATOM 3037 C CB . ASP A 1 391 ? 115.898 16.672 58.292 1.00 33.01 ? 391 ASP A CB 1 ATOM 3038 C CG . ASP A 1 391 ? 116.516 18.003 58.616 1.00 37.99 ? 391 ASP A CG 1 ATOM 3039 O OD1 . ASP A 1 391 ? 117.296 18.496 57.760 1.00 39.14 ? 391 ASP A OD1 1 ATOM 3040 O OD2 . ASP A 1 391 ? 116.312 18.620 59.697 1.00 36.86 ? 391 ASP A OD2 1 ATOM 3041 N N . VAL A 1 392 ? 114.149 14.581 56.623 1.00 32.44 ? 392 VAL A N 1 ATOM 3042 C CA . VAL A 1 392 ? 113.792 13.243 56.140 1.00 30.84 ? 392 VAL A CA 1 ATOM 3043 C C . VAL A 1 392 ? 114.053 13.170 54.641 1.00 31.77 ? 392 VAL A C 1 ATOM 3044 O O . VAL A 1 392 ? 114.766 12.289 54.151 1.00 30.14 ? 392 VAL A O 1 ATOM 3045 C CB . VAL A 1 392 ? 112.304 12.908 56.488 1.00 31.10 ? 392 VAL A CB 1 ATOM 3046 C CG1 . VAL A 1 392 ? 111.801 11.743 55.719 1.00 29.35 ? 392 VAL A CG1 1 ATOM 3047 C CG2 . VAL A 1 392 ? 112.147 12.568 57.941 1.00 31.11 ? 392 VAL A CG2 1 ATOM 3048 N N . VAL A 1 393 ? 113.450 14.113 53.910 1.00 29.90 ? 393 VAL A N 1 ATOM 3049 C CA . VAL A 1 393 ? 113.535 14.075 52.449 1.00 29.87 ? 393 VAL A CA 1 ATOM 3050 C C . VAL A 1 393 ? 114.993 14.326 51.984 1.00 29.20 ? 393 VAL A C 1 ATOM 3051 O O . VAL A 1 393 ? 115.463 13.675 51.060 1.00 30.77 ? 393 VAL A O 1 ATOM 3052 C CB . VAL A 1 393 ? 112.500 15.116 51.804 1.00 29.33 ? 393 VAL A CB 1 ATOM 3053 C CG1 . VAL A 1 393 ? 112.682 15.216 50.282 1.00 28.20 ? 393 VAL A CG1 1 ATOM 3054 C CG2 . VAL A 1 393 ? 111.024 14.721 52.159 1.00 28.54 ? 393 VAL A CG2 1 ATOM 3055 N N . GLY A 1 394 ? 115.692 15.268 52.610 1.00 28.78 ? 394 GLY A N 1 ATOM 3056 C CA . GLY A 1 394 ? 117.058 15.567 52.157 1.00 28.55 ? 394 GLY A CA 1 ATOM 3057 C C . GLY A 1 394 ? 118.011 14.400 52.497 1.00 29.16 ? 394 GLY A C 1 ATOM 3058 O O . GLY A 1 394 ? 118.800 13.999 51.677 1.00 26.84 ? 394 GLY A O 1 ATOM 3059 N N . ASP A 1 395 ? 117.935 13.890 53.733 1.00 28.37 ? 395 ASP A N 1 ATOM 3060 C CA . ASP A 1 395 ? 118.825 12.774 54.179 1.00 28.76 ? 395 ASP A CA 1 ATOM 3061 C C . ASP A 1 395 ? 118.642 11.543 53.311 1.00 29.03 ? 395 ASP A C 1 ATOM 3062 O O . ASP A 1 395 ? 119.618 10.983 52.800 1.00 29.25 ? 395 ASP A O 1 ATOM 3063 C CB . ASP A 1 395 ? 118.584 12.442 55.669 1.00 28.80 ? 395 ASP A CB 1 ATOM 3064 C CG . ASP A 1 395 ? 118.975 13.591 56.566 1.00 30.10 ? 395 ASP A CG 1 ATOM 3065 O OD1 . ASP A 1 395 ? 118.664 13.560 57.797 1.00 30.88 ? 395 ASP A OD1 1 ATOM 3066 O OD2 . ASP A 1 395 ? 119.609 14.599 56.110 1.00 29.11 ? 395 ASP A OD2 1 ATOM 3067 N N . TYR A 1 396 ? 117.393 11.144 53.092 1.00 29.45 ? 396 TYR A N 1 ATOM 3068 C CA . TYR A 1 396 ? 117.091 9.909 52.348 1.00 27.99 ? 396 TYR A CA 1 ATOM 3069 C C . TYR A 1 396 ? 117.501 10.025 50.901 1.00 28.11 ? 396 TYR A C 1 ATOM 3070 O O . TYR A 1 396 ? 118.121 9.147 50.345 1.00 27.72 ? 396 TYR A O 1 ATOM 3071 C CB . TYR A 1 396 ? 115.593 9.598 52.447 1.00 28.08 ? 396 TYR A CB 1 ATOM 3072 C CG . TYR A 1 396 ? 115.101 8.438 51.575 1.00 30.79 ? 396 TYR A CG 1 ATOM 3073 C CD1 . TYR A 1 396 ? 115.659 7.158 51.682 1.00 31.40 ? 396 TYR A CD1 1 ATOM 3074 C CD2 . TYR A 1 396 ? 114.049 8.617 50.697 1.00 29.86 ? 396 TYR A CD2 1 ATOM 3075 C CE1 . TYR A 1 396 ? 115.181 6.087 50.916 1.00 32.36 ? 396 TYR A CE1 1 ATOM 3076 C CE2 . TYR A 1 396 ? 113.590 7.588 49.926 1.00 32.20 ? 396 TYR A CE2 1 ATOM 3077 C CZ . TYR A 1 396 ? 114.143 6.324 50.057 1.00 33.72 ? 396 TYR A CZ 1 ATOM 3078 O OH . TYR A 1 396 ? 113.680 5.308 49.293 1.00 33.83 ? 396 TYR A OH 1 ATOM 3079 N N . ASN A 1 397 ? 117.114 11.120 50.267 1.00 27.92 ? 397 ASN A N 1 ATOM 3080 C CA . ASN A 1 397 ? 117.292 11.264 48.826 1.00 27.66 ? 397 ASN A CA 1 ATOM 3081 C C . ASN A 1 397 ? 118.654 11.772 48.378 1.00 27.36 ? 397 ASN A C 1 ATOM 3082 O O . ASN A 1 397 ? 119.081 11.455 47.272 1.00 26.07 ? 397 ASN A O 1 ATOM 3083 C CB . ASN A 1 397 ? 116.184 12.204 48.282 1.00 27.64 ? 397 ASN A CB 1 ATOM 3084 C CG . ASN A 1 397 ? 114.869 11.495 48.203 1.00 28.20 ? 397 ASN A CG 1 ATOM 3085 O OD1 . ASN A 1 397 ? 114.669 10.680 47.293 1.00 28.19 ? 397 ASN A OD1 1 ATOM 3086 N ND2 . ASN A 1 397 ? 113.975 11.778 49.149 1.00 25.78 ? 397 ASN A ND2 1 ATOM 3087 N N . PHE A 1 398 ? 119.334 12.567 49.208 1.00 26.66 ? 398 PHE A N 1 ATOM 3088 C CA . PHE A 1 398 ? 120.601 13.192 48.730 1.00 27.19 ? 398 PHE A CA 1 ATOM 3089 C C . PHE A 1 398 ? 121.819 12.983 49.640 1.00 27.13 ? 398 PHE A C 1 ATOM 3090 O O . PHE A 1 398 ? 122.878 12.541 49.187 1.00 27.21 ? 398 PHE A O 1 ATOM 3091 C CB . PHE A 1 398 ? 120.397 14.714 48.491 1.00 27.20 ? 398 PHE A CB 1 ATOM 3092 C CG . PHE A 1 398 ? 119.376 15.011 47.416 1.00 27.44 ? 398 PHE A CG 1 ATOM 3093 C CD1 . PHE A 1 398 ? 118.046 15.313 47.777 1.00 29.99 ? 398 PHE A CD1 1 ATOM 3094 C CD2 . PHE A 1 398 ? 119.712 14.899 46.084 1.00 26.34 ? 398 PHE A CD2 1 ATOM 3095 C CE1 . PHE A 1 398 ? 117.012 15.536 46.796 1.00 31.12 ? 398 PHE A CE1 1 ATOM 3096 C CE2 . PHE A 1 398 ? 118.705 15.145 45.049 1.00 31.84 ? 398 PHE A CE2 1 ATOM 3097 C CZ . PHE A 1 398 ? 117.347 15.457 45.429 1.00 30.38 ? 398 PHE A CZ 1 ATOM 3098 N N . ILE A 1 399 ? 121.662 13.318 50.898 1.00 27.55 ? 399 ILE A N 1 ATOM 3099 C CA . ILE A 1 399 ? 122.831 13.476 51.767 1.00 28.11 ? 399 ILE A CA 1 ATOM 3100 C C . ILE A 1 399 ? 123.390 12.108 52.147 1.00 28.60 ? 399 ILE A C 1 ATOM 3101 O O . ILE A 1 399 ? 124.550 11.866 51.926 1.00 28.02 ? 399 ILE A O 1 ATOM 3102 C CB . ILE A 1 399 ? 122.472 14.271 53.007 1.00 27.59 ? 399 ILE A CB 1 ATOM 3103 C CG1 . ILE A 1 399 ? 122.124 15.716 52.603 1.00 29.20 ? 399 ILE A CG1 1 ATOM 3104 C CG2 . ILE A 1 399 ? 123.648 14.279 54.037 1.00 28.50 ? 399 ILE A CG2 1 ATOM 3105 C CD1 . ILE A 1 399 ? 121.885 16.598 53.810 1.00 33.56 ? 399 ILE A CD1 1 ATOM 3106 N N . CYS A 1 400 ? 122.563 11.222 52.723 1.00 28.40 ? 400 CYS A N 1 ATOM 3107 C CA . CYS A 1 400 ? 123.076 9.919 53.092 1.00 28.08 ? 400 CYS A CA 1 ATOM 3108 C C . CYS A 1 400 ? 123.610 9.137 51.881 1.00 28.51 ? 400 CYS A C 1 ATOM 3109 O O . CYS A 1 400 ? 124.668 8.517 51.993 1.00 27.82 ? 400 CYS A O 1 ATOM 3110 C CB . CYS A 1 400 ? 122.030 9.145 53.889 1.00 29.58 ? 400 CYS A CB 1 ATOM 3111 S SG . CYS A 1 400 ? 121.611 10.007 55.388 1.00 33.42 ? 400 CYS A SG 1 ATOM 3112 N N . PRO A 1 401 ? 122.916 9.119 50.727 1.00 27.21 ? 401 PRO A N 1 ATOM 3113 C CA . PRO A 1 401 ? 123.504 8.465 49.586 1.00 27.17 ? 401 PRO A CA 1 ATOM 3114 C C . PRO A 1 401 ? 124.874 9.062 49.083 1.00 27.61 ? 401 PRO A C 1 ATOM 3115 O O . PRO A 1 401 ? 125.752 8.285 48.688 1.00 27.17 ? 401 PRO A O 1 ATOM 3116 C CB . PRO A 1 401 ? 122.436 8.577 48.489 1.00 27.63 ? 401 PRO A CB 1 ATOM 3117 C CG . PRO A 1 401 ? 121.159 8.786 49.170 1.00 26.53 ? 401 PRO A CG 1 ATOM 3118 C CD . PRO A 1 401 ? 121.541 9.598 50.448 1.00 27.60 ? 401 PRO A CD 1 ATOM 3119 N N . ALA A 1 402 ? 125.033 10.392 49.067 1.00 27.33 ? 402 ALA A N 1 ATOM 3120 C CA . ALA A 1 402 ? 126.301 11.015 48.618 1.00 27.64 ? 402 ALA A CA 1 ATOM 3121 C C . ALA A 1 402 ? 127.443 10.595 49.582 1.00 27.89 ? 402 ALA A C 1 ATOM 3122 O O . ALA A 1 402 ? 128.558 10.306 49.136 1.00 27.41 ? 402 ALA A O 1 ATOM 3123 C CB . ALA A 1 402 ? 126.185 12.547 48.609 1.00 26.97 ? 402 ALA A CB 1 ATOM 3124 N N . LEU A 1 403 ? 127.142 10.585 50.880 1.00 26.17 ? 403 LEU A N 1 ATOM 3125 C CA . LEU A 1 403 ? 128.111 10.191 51.886 1.00 28.45 ? 403 LEU A CA 1 ATOM 3126 C C . LEU A 1 403 ? 128.466 8.726 51.760 1.00 28.49 ? 403 LEU A C 1 ATOM 3127 O O . LEU A 1 403 ? 129.616 8.385 51.873 1.00 28.03 ? 403 LEU A O 1 ATOM 3128 C CB . LEU A 1 403 ? 127.606 10.488 53.314 1.00 28.45 ? 403 LEU A CB 1 ATOM 3129 C CG . LEU A 1 403 ? 127.567 11.966 53.752 1.00 29.12 ? 403 LEU A CG 1 ATOM 3130 C CD1 . LEU A 1 403 ? 126.621 12.135 54.921 1.00 26.88 ? 403 LEU A CD1 1 ATOM 3131 C CD2 . LEU A 1 403 ? 128.954 12.493 54.119 1.00 26.81 ? 403 LEU A CD2 1 ATOM 3132 N N . GLU A 1 404 ? 127.483 7.861 51.497 1.00 29.45 ? 404 GLU A N 1 ATOM 3133 C CA . GLU A 1 404 ? 127.783 6.440 51.298 1.00 30.57 ? 404 GLU A CA 1 ATOM 3134 C C . GLU A 1 404 ? 128.585 6.198 49.998 1.00 29.83 ? 404 GLU A C 1 ATOM 3135 O O . GLU A 1 404 ? 129.509 5.402 49.968 1.00 30.08 ? 404 GLU A O 1 ATOM 3136 C CB . GLU A 1 404 ? 126.487 5.618 51.338 1.00 30.08 ? 404 GLU A CB 1 ATOM 3137 C CG . GLU A 1 404 ? 126.701 4.115 51.243 1.00 37.73 ? 404 GLU A CG 1 ATOM 3138 C CD . GLU A 1 404 ? 127.294 3.457 52.532 1.00 44.87 ? 404 GLU A CD 1 ATOM 3139 O OE1 . GLU A 1 404 ? 127.805 4.141 53.457 1.00 42.33 ? 404 GLU A OE1 1 ATOM 3140 O OE2 . GLU A 1 404 ? 127.215 2.208 52.624 1.00 53.15 ? 404 GLU A OE2 1 ATOM 3141 N N . PHE A 1 405 ? 128.201 6.861 48.904 1.00 27.61 ? 405 PHE A N 1 ATOM 3142 C CA . PHE A 1 405 ? 128.986 6.787 47.686 1.00 27.42 ? 405 PHE A CA 1 ATOM 3143 C C . PHE A 1 405 ? 130.470 7.163 47.951 1.00 26.61 ? 405 PHE A C 1 ATOM 3144 O O . PHE A 1 405 ? 131.403 6.492 47.482 1.00 27.22 ? 405 PHE A O 1 ATOM 3145 C CB . PHE A 1 405 ? 128.402 7.733 46.635 1.00 26.97 ? 405 PHE A CB 1 ATOM 3146 C CG . PHE A 1 405 ? 129.200 7.765 45.417 1.00 27.26 ? 405 PHE A CG 1 ATOM 3147 C CD1 . PHE A 1 405 ? 129.038 6.757 44.430 1.00 30.72 ? 405 PHE A CD1 1 ATOM 3148 C CD2 . PHE A 1 405 ? 130.186 8.737 45.254 1.00 29.45 ? 405 PHE A CD2 1 ATOM 3149 C CE1 . PHE A 1 405 ? 129.833 6.776 43.260 1.00 31.54 ? 405 PHE A CE1 1 ATOM 3150 C CE2 . PHE A 1 405 ? 131.010 8.726 44.117 1.00 30.37 ? 405 PHE A CE2 1 ATOM 3151 C CZ . PHE A 1 405 ? 130.795 7.795 43.108 1.00 31.08 ? 405 PHE A CZ 1 ATOM 3152 N N . THR A 1 406 ? 130.670 8.264 48.679 1.00 26.46 ? 406 THR A N 1 ATOM 3153 C CA . THR A 1 406 ? 131.995 8.777 48.974 1.00 27.71 ? 406 THR A CA 1 ATOM 3154 C C . THR A 1 406 ? 132.827 7.788 49.824 1.00 27.67 ? 406 THR A C 1 ATOM 3155 O O . THR A 1 406 ? 133.982 7.546 49.514 1.00 27.99 ? 406 THR A O 1 ATOM 3156 C CB . THR A 1 406 ? 131.884 10.143 49.659 1.00 27.21 ? 406 THR A CB 1 ATOM 3157 O OG1 . THR A 1 406 ? 131.105 11.028 48.823 1.00 30.07 ? 406 THR A OG1 1 ATOM 3158 C CG2 . THR A 1 406 ? 133.316 10.826 49.758 1.00 28.01 ? 406 THR A CG2 1 ATOM 3159 N N . LYS A 1 407 ? 132.232 7.218 50.863 1.00 29.15 ? 407 LYS A N 1 ATOM 3160 C CA . LYS A 1 407 ? 132.880 6.188 51.685 1.00 31.77 ? 407 LYS A CA 1 ATOM 3161 C C . LYS A 1 407 ? 133.304 5.014 50.846 1.00 30.69 ? 407 LYS A C 1 ATOM 3162 O O . LYS A 1 407 ? 134.491 4.640 50.841 1.00 30.89 ? 407 LYS A O 1 ATOM 3163 C CB . LYS A 1 407 ? 131.907 5.678 52.754 1.00 32.32 ? 407 LYS A CB 1 ATOM 3164 C CG . LYS A 1 407 ? 131.585 6.693 53.782 1.00 39.00 ? 407 LYS A CG 1 ATOM 3165 C CD . LYS A 1 407 ? 130.479 6.162 54.720 1.00 45.36 ? 407 LYS A CD 1 ATOM 3166 C CE . LYS A 1 407 ? 129.997 7.250 55.667 1.00 45.41 ? 407 LYS A CE 1 ATOM 3167 N NZ . LYS A 1 407 ? 129.250 6.616 56.879 1.00 46.58 ? 407 LYS A NZ 1 ATOM 3168 N N . LYS A 1 408 ? 132.341 4.446 50.116 1.00 30.09 ? 408 LYS A N 1 ATOM 3169 C CA . LYS A 1 408 ? 132.611 3.259 49.325 1.00 30.89 ? 408 LYS A CA 1 ATOM 3170 C C . LYS A 1 408 ? 133.645 3.492 48.220 1.00 31.37 ? 408 LYS A C 1 ATOM 3171 O O . LYS A 1 408 ? 134.474 2.601 47.898 1.00 32.40 ? 408 LYS A O 1 ATOM 3172 C CB . LYS A 1 408 ? 131.320 2.620 48.787 1.00 28.88 ? 408 LYS A CB 1 ATOM 3173 C CG . LYS A 1 408 ? 130.493 2.036 49.908 1.00 33.43 ? 408 LYS A CG 1 ATOM 3174 C CD . LYS A 1 408 ? 129.294 1.226 49.391 1.00 43.42 ? 408 LYS A CD 1 ATOM 3175 C CE . LYS A 1 408 ? 128.659 0.376 50.523 1.00 45.32 ? 408 LYS A CE 1 ATOM 3176 N NZ . LYS A 1 408 ? 129.792 -0.186 51.401 1.00 49.49 ? 408 LYS A NZ 1 ATOM 3177 N N . PHE A 1 409 ? 133.590 4.673 47.622 1.00 31.38 ? 409 PHE A N 1 ATOM 3178 C CA . PHE A 1 409 ? 134.501 4.992 46.535 1.00 30.60 ? 409 PHE A CA 1 ATOM 3179 C C . PHE A 1 409 ? 135.905 5.154 47.115 1.00 31.60 ? 409 PHE A C 1 ATOM 3180 O O . PHE A 1 409 ? 136.865 4.656 46.533 1.00 32.00 ? 409 PHE A O 1 ATOM 3181 C CB . PHE A 1 409 ? 134.086 6.286 45.822 1.00 30.12 ? 409 PHE A CB 1 ATOM 3182 C CG . PHE A 1 409 ? 134.841 6.538 44.506 1.00 31.42 ? 409 PHE A CG 1 ATOM 3183 C CD1 . PHE A 1 409 ? 134.311 6.132 43.289 1.00 28.73 ? 409 PHE A CD1 1 ATOM 3184 C CD2 . PHE A 1 409 ? 136.071 7.206 44.509 1.00 29.43 ? 409 PHE A CD2 1 ATOM 3185 C CE1 . PHE A 1 409 ? 135.054 6.371 42.098 1.00 27.25 ? 409 PHE A CE1 1 ATOM 3186 C CE2 . PHE A 1 409 ? 136.775 7.461 43.318 1.00 29.20 ? 409 PHE A CE2 1 ATOM 3187 C CZ . PHE A 1 409 ? 136.293 7.009 42.133 1.00 26.40 ? 409 PHE A CZ 1 ATOM 3188 N N . SER A 1 410 ? 136.025 5.878 48.230 1.00 31.95 ? 410 SER A N 1 ATOM 3189 C CA . SER A 1 410 ? 137.345 6.178 48.808 1.00 33.83 ? 410 SER A CA 1 ATOM 3190 C C . SER A 1 410 ? 138.038 4.912 49.376 1.00 34.65 ? 410 SER A C 1 ATOM 3191 O O . SER A 1 410 ? 139.264 4.898 49.525 1.00 34.22 ? 410 SER A O 1 ATOM 3192 C CB . SER A 1 410 ? 137.230 7.244 49.917 1.00 33.54 ? 410 SER A CB 1 ATOM 3193 O OG . SER A 1 410 ? 136.639 6.642 51.079 1.00 36.90 ? 410 SER A OG 1 ATOM 3194 N N . GLU A 1 411 ? 137.255 3.861 49.668 1.00 35.79 ? 411 GLU A N 1 ATOM 3195 C CA . GLU A 1 411 ? 137.794 2.634 50.272 1.00 37.37 ? 411 GLU A CA 1 ATOM 3196 C C . GLU A 1 411 ? 138.689 1.927 49.293 1.00 37.41 ? 411 GLU A C 1 ATOM 3197 O O . GLU A 1 411 ? 139.466 1.066 49.691 1.00 37.46 ? 411 GLU A O 1 ATOM 3198 C CB . GLU A 1 411 ? 136.691 1.678 50.701 1.00 37.19 ? 411 GLU A CB 1 ATOM 3199 C CG . GLU A 1 411 ? 136.236 1.978 52.107 1.00 43.23 ? 411 GLU A CG 1 ATOM 3200 C CD . GLU A 1 411 ? 134.902 1.358 52.458 1.00 49.94 ? 411 GLU A CD 1 ATOM 3201 O OE1 . GLU A 1 411 ? 134.404 0.446 51.733 1.00 52.79 ? 411 GLU A OE1 1 ATOM 3202 O OE2 . GLU A 1 411 ? 134.356 1.771 53.509 1.00 57.02 ? 411 GLU A OE2 1 ATOM 3203 N N . TRP A 1 412 ? 138.608 2.313 48.016 1.00 37.39 ? 412 TRP A N 1 ATOM 3204 C CA . TRP A 1 412 ? 139.469 1.721 46.993 1.00 37.00 ? 412 TRP A CA 1 ATOM 3205 C C . TRP A 1 412 ? 140.750 2.475 46.706 1.00 36.97 ? 412 TRP A C 1 ATOM 3206 O O . TRP A 1 412 ? 141.427 2.187 45.734 1.00 36.78 ? 412 TRP A O 1 ATOM 3207 C CB . TRP A 1 412 ? 138.677 1.375 45.718 1.00 37.23 ? 412 TRP A CB 1 ATOM 3208 C CG . TRP A 1 412 ? 137.730 0.259 46.023 1.00 38.87 ? 412 TRP A CG 1 ATOM 3209 C CD1 . TRP A 1 412 ? 136.473 0.362 46.568 1.00 39.97 ? 412 TRP A CD1 1 ATOM 3210 C CD2 . TRP A 1 412 ? 138.001 -1.145 45.911 1.00 40.54 ? 412 TRP A CD2 1 ATOM 3211 N NE1 . TRP A 1 412 ? 135.940 -0.893 46.764 1.00 40.69 ? 412 TRP A NE1 1 ATOM 3212 C CE2 . TRP A 1 412 ? 136.854 -1.834 46.352 1.00 40.85 ? 412 TRP A CE2 1 ATOM 3213 C CE3 . TRP A 1 412 ? 139.088 -1.896 45.430 1.00 45.26 ? 412 TRP A CE3 1 ATOM 3214 C CZ2 . TRP A 1 412 ? 136.762 -3.240 46.333 1.00 43.72 ? 412 TRP A CZ2 1 ATOM 3215 C CZ3 . TRP A 1 412 ? 138.991 -3.312 45.414 1.00 43.80 ? 412 TRP A CZ3 1 ATOM 3216 C CH2 . TRP A 1 412 ? 137.842 -3.951 45.869 1.00 43.57 ? 412 TRP A CH2 1 ATOM 3217 N N . GLY A 1 413 ? 141.117 3.419 47.563 1.00 36.68 ? 413 GLY A N 1 ATOM 3218 C CA . GLY A 1 413 ? 142.444 3.968 47.453 1.00 37.27 ? 413 GLY A CA 1 ATOM 3219 C C . GLY A 1 413 ? 142.519 5.387 46.963 1.00 38.93 ? 413 GLY A C 1 ATOM 3220 O O . GLY A 1 413 ? 143.521 6.051 47.168 1.00 40.80 ? 413 GLY A O 1 ATOM 3221 N N . ASN A 1 414 ? 141.427 5.894 46.387 1.00 36.69 ? 414 ASN A N 1 ATOM 3222 C CA . ASN A 1 414 ? 141.480 7.173 45.701 1.00 35.17 ? 414 ASN A CA 1 ATOM 3223 C C . ASN A 1 414 ? 141.214 8.351 46.632 1.00 34.32 ? 414 ASN A C 1 ATOM 3224 O O . ASN A 1 414 ? 140.419 8.243 47.555 1.00 35.22 ? 414 ASN A O 1 ATOM 3225 C CB A ASN A 1 414 ? 140.657 7.252 44.410 0.50 33.98 ? 414 ASN A CB 1 ATOM 3226 C CB B ASN A 1 414 ? 140.292 7.097 44.692 0.50 35.41 ? 414 ASN A CB 1 ATOM 3227 C CG A ASN A 1 414 ? 141.334 6.588 43.236 0.50 28.31 ? 414 ASN A CG 1 ATOM 3228 C CG B ASN A 1 414 ? 139.905 5.625 44.266 0.50 34.74 ? 414 ASN A CG 1 ATOM 3229 O OD1 A ASN A 1 414 ? 140.825 5.612 42.764 0.50 25.50 ? 414 ASN A OD1 1 ATOM 3230 O OD1 B ASN A 1 414 ? 140.187 5.242 43.138 0.50 33.47 ? 414 ASN A OD1 1 ATOM 3231 N ND2 A ASN A 1 414 ? 142.462 7.136 42.735 0.50 20.91 ? 414 ASN A ND2 1 ATOM 3232 N ND2 B ASN A 1 414 ? 139.233 4.836 45.152 0.50 28.70 ? 414 ASN A ND2 1 ATOM 3233 N N . ASN A 1 415 ? 141.852 9.495 46.406 1.00 35.24 ? 415 ASN A N 1 ATOM 3234 C CA . ASN A 1 415 ? 141.467 10.698 47.157 1.00 33.48 ? 415 ASN A CA 1 ATOM 3235 C C . ASN A 1 415 ? 140.026 11.194 46.824 1.00 33.21 ? 415 ASN A C 1 ATOM 3236 O O . ASN A 1 415 ? 139.635 11.253 45.663 1.00 33.28 ? 415 ASN A O 1 ATOM 3237 C CB . ASN A 1 415 ? 142.444 11.829 46.877 1.00 34.37 ? 415 ASN A CB 1 ATOM 3238 C CG . ASN A 1 415 ? 143.753 11.672 47.603 1.00 35.59 ? 415 ASN A CG 1 ATOM 3239 O OD1 . ASN A 1 415 ? 143.897 10.833 48.505 1.00 36.98 ? 415 ASN A OD1 1 ATOM 3240 N ND2 . ASN A 1 415 ? 144.704 12.507 47.237 1.00 31.81 ? 415 ASN A ND2 1 ATOM 3241 N N . ALA A 1 416 ? 139.289 11.591 47.857 1.00 32.09 ? 416 ALA A N 1 ATOM 3242 C CA . ALA A 1 416 ? 137.917 12.080 47.739 1.00 30.74 ? 416 ALA A CA 1 ATOM 3243 C C . ALA A 1 416 ? 137.867 13.257 48.660 1.00 30.43 ? 416 ALA A C 1 ATOM 3244 O O . ALA A 1 416 ? 138.531 13.256 49.740 1.00 29.63 ? 416 ALA A O 1 ATOM 3245 C CB . ALA A 1 416 ? 136.935 11.029 48.234 1.00 30.07 ? 416 ALA A CB 1 ATOM 3246 N N . PHE A 1 417 ? 137.107 14.268 48.251 1.00 28.29 ? 417 PHE A N 1 ATOM 3247 C CA . PHE A 1 417 ? 136.920 15.480 49.044 1.00 28.54 ? 417 PHE A CA 1 ATOM 3248 C C . PHE A 1 417 ? 135.441 15.709 49.188 1.00 28.50 ? 417 PHE A C 1 ATOM 3249 O O . PHE A 1 417 ? 134.730 15.688 48.186 1.00 29.05 ? 417 PHE A O 1 ATOM 3250 C CB . PHE A 1 417 ? 137.597 16.651 48.296 1.00 28.57 ? 417 PHE A CB 1 ATOM 3251 C CG . PHE A 1 417 ? 139.076 16.402 48.048 1.00 30.10 ? 417 PHE A CG 1 ATOM 3252 C CD1 . PHE A 1 417 ? 139.508 15.731 46.908 1.00 27.31 ? 417 PHE A CD1 1 ATOM 3253 C CD2 . PHE A 1 417 ? 140.020 16.769 49.027 1.00 29.27 ? 417 PHE A CD2 1 ATOM 3254 C CE1 . PHE A 1 417 ? 140.892 15.471 46.690 1.00 29.11 ? 417 PHE A CE1 1 ATOM 3255 C CE2 . PHE A 1 417 ? 141.380 16.488 48.849 1.00 29.91 ? 417 PHE A CE2 1 ATOM 3256 C CZ . PHE A 1 417 ? 141.831 15.865 47.698 1.00 25.24 ? 417 PHE A CZ 1 ATOM 3257 N N . PHE A 1 418 ? 134.955 15.928 50.408 1.00 27.78 ? 418 PHE A N 1 ATOM 3258 C CA . PHE A 1 418 ? 133.498 16.108 50.597 1.00 28.07 ? 418 PHE A CA 1 ATOM 3259 C C . PHE A 1 418 ? 133.182 17.516 51.142 1.00 28.25 ? 418 PHE A C 1 ATOM 3260 O O . PHE A 1 418 ? 133.898 17.998 52.070 1.00 26.32 ? 418 PHE A O 1 ATOM 3261 C CB . PHE A 1 418 ? 132.947 15.022 51.565 1.00 26.44 ? 418 PHE A CB 1 ATOM 3262 C CG . PHE A 1 418 ? 131.477 14.884 51.501 1.00 26.26 ? 418 PHE A CG 1 ATOM 3263 C CD1 . PHE A 1 418 ? 130.640 15.772 52.209 1.00 24.56 ? 418 PHE A CD1 1 ATOM 3264 C CD2 . PHE A 1 418 ? 130.893 13.884 50.705 1.00 20.75 ? 418 PHE A CD2 1 ATOM 3265 C CE1 . PHE A 1 418 ? 129.256 15.650 52.095 1.00 25.87 ? 418 PHE A CE1 1 ATOM 3266 C CE2 . PHE A 1 418 ? 129.486 13.749 50.647 1.00 22.95 ? 418 PHE A CE2 1 ATOM 3267 C CZ . PHE A 1 418 ? 128.686 14.641 51.342 1.00 23.05 ? 418 PHE A CZ 1 ATOM 3268 N N . TYR A 1 419 ? 132.163 18.211 50.584 1.00 27.87 ? 419 TYR A N 1 ATOM 3269 C CA . TYR A 1 419 ? 131.792 19.540 51.160 1.00 27.43 ? 419 TYR A CA 1 ATOM 3270 C C . TYR A 1 419 ? 130.357 19.518 51.668 1.00 28.77 ? 419 TYR A C 1 ATOM 3271 O O . TYR A 1 419 ? 129.515 18.723 51.203 1.00 28.65 ? 419 TYR A O 1 ATOM 3272 C CB . TYR A 1 419 ? 131.931 20.750 50.178 1.00 28.29 ? 419 TYR A CB 1 ATOM 3273 C CG . TYR A 1 419 ? 130.992 20.642 48.977 1.00 27.39 ? 419 TYR A CG 1 ATOM 3274 C CD1 . TYR A 1 419 ? 131.425 20.057 47.795 1.00 27.03 ? 419 TYR A CD1 1 ATOM 3275 C CD2 . TYR A 1 419 ? 129.693 21.100 49.056 1.00 27.47 ? 419 TYR A CD2 1 ATOM 3276 C CE1 . TYR A 1 419 ? 130.539 19.907 46.649 1.00 27.55 ? 419 TYR A CE1 1 ATOM 3277 C CE2 . TYR A 1 419 ? 128.807 21.013 47.960 1.00 27.53 ? 419 TYR A CE2 1 ATOM 3278 C CZ . TYR A 1 419 ? 129.217 20.398 46.788 1.00 29.87 ? 419 TYR A CZ 1 ATOM 3279 O OH . TYR A 1 419 ? 128.303 20.293 45.782 1.00 27.25 ? 419 TYR A OH 1 ATOM 3280 N N . TYR A 1 420 ? 130.072 20.440 52.583 1.00 28.65 ? 420 TYR A N 1 ATOM 3281 C CA . TYR A 1 420 ? 128.737 20.661 53.080 1.00 29.85 ? 420 TYR A CA 1 ATOM 3282 C C . TYR A 1 420 ? 128.496 22.150 52.821 1.00 30.41 ? 420 TYR A C 1 ATOM 3283 O O . TYR A 1 420 ? 129.087 23.021 53.491 1.00 30.29 ? 420 TYR A O 1 ATOM 3284 C CB . TYR A 1 420 ? 128.709 20.405 54.593 1.00 28.71 ? 420 TYR A CB 1 ATOM 3285 C CG . TYR A 1 420 ? 127.325 20.437 55.204 1.00 30.18 ? 420 TYR A CG 1 ATOM 3286 C CD1 . TYR A 1 420 ? 126.312 19.631 54.681 1.00 29.17 ? 420 TYR A CD1 1 ATOM 3287 C CD2 . TYR A 1 420 ? 127.046 21.216 56.325 1.00 28.37 ? 420 TYR A CD2 1 ATOM 3288 C CE1 . TYR A 1 420 ? 125.034 19.592 55.242 1.00 32.11 ? 420 TYR A CE1 1 ATOM 3289 C CE2 . TYR A 1 420 ? 125.759 21.187 56.917 1.00 32.93 ? 420 TYR A CE2 1 ATOM 3290 C CZ . TYR A 1 420 ? 124.767 20.363 56.357 1.00 32.37 ? 420 TYR A CZ 1 ATOM 3291 O OH . TYR A 1 420 ? 123.508 20.292 56.877 1.00 33.73 ? 420 TYR A OH 1 ATOM 3292 N N . PHE A 1 421 ? 127.638 22.434 51.855 1.00 30.74 ? 421 PHE A N 1 ATOM 3293 C CA . PHE A 1 421 ? 127.386 23.830 51.454 1.00 31.44 ? 421 PHE A CA 1 ATOM 3294 C C . PHE A 1 421 ? 126.276 24.407 52.332 1.00 31.08 ? 421 PHE A C 1 ATOM 3295 O O . PHE A 1 421 ? 125.142 23.918 52.332 1.00 30.14 ? 421 PHE A O 1 ATOM 3296 C CB . PHE A 1 421 ? 127.025 23.869 49.970 1.00 30.05 ? 421 PHE A CB 1 ATOM 3297 C CG . PHE A 1 421 ? 126.741 25.244 49.434 1.00 33.08 ? 421 PHE A CG 1 ATOM 3298 C CD1 . PHE A 1 421 ? 127.779 26.079 48.993 1.00 34.37 ? 421 PHE A CD1 1 ATOM 3299 C CD2 . PHE A 1 421 ? 125.412 25.691 49.306 1.00 31.02 ? 421 PHE A CD2 1 ATOM 3300 C CE1 . PHE A 1 421 ? 127.490 27.396 48.468 1.00 35.07 ? 421 PHE A CE1 1 ATOM 3301 C CE2 . PHE A 1 421 ? 125.122 26.964 48.740 1.00 31.83 ? 421 PHE A CE2 1 ATOM 3302 C CZ . PHE A 1 421 ? 126.159 27.816 48.331 1.00 29.98 ? 421 PHE A CZ 1 ATOM 3303 N N . GLU A 1 422 ? 126.594 25.463 53.069 1.00 31.99 ? 422 GLU A N 1 ATOM 3304 C CA . GLU A 1 422 ? 125.598 25.973 54.011 1.00 34.47 ? 422 GLU A CA 1 ATOM 3305 C C . GLU A 1 422 ? 125.320 27.462 53.870 1.00 35.20 ? 422 GLU A C 1 ATOM 3306 O O . GLU A 1 422 ? 124.816 28.079 54.789 1.00 35.84 ? 422 GLU A O 1 ATOM 3307 C CB . GLU A 1 422 ? 125.938 25.555 55.468 1.00 35.94 ? 422 GLU A CB 1 ATOM 3308 C CG . GLU A 1 422 ? 127.392 25.653 55.784 1.00 39.15 ? 422 GLU A CG 1 ATOM 3309 C CD . GLU A 1 422 ? 127.769 25.319 57.221 1.00 40.13 ? 422 GLU A CD 1 ATOM 3310 O OE1 . GLU A 1 422 ? 127.235 24.358 57.814 1.00 39.73 ? 422 GLU A OE1 1 ATOM 3311 O OE2 . GLU A 1 422 ? 128.647 26.044 57.739 1.00 42.09 ? 422 GLU A OE2 1 ATOM 3312 N N . HIS A 1 423 ? 125.570 28.021 52.691 1.00 34.56 ? 423 HIS A N 1 ATOM 3313 C CA . HIS A 1 423 ? 125.190 29.407 52.443 1.00 34.94 ? 423 HIS A CA 1 ATOM 3314 C C . HIS A 1 423 ? 123.851 29.584 51.702 1.00 34.93 ? 423 HIS A C 1 ATOM 3315 O O . HIS A 1 423 ? 123.685 29.083 50.601 1.00 34.92 ? 423 HIS A O 1 ATOM 3316 C CB . HIS A 1 423 ? 126.274 30.128 51.654 1.00 34.71 ? 423 HIS A CB 1 ATOM 3317 C CG . HIS A 1 423 ? 125.950 31.569 51.435 1.00 36.55 ? 423 HIS A CG 1 ATOM 3318 N ND1 . HIS A 1 423 ? 125.887 32.475 52.472 1.00 39.53 ? 423 HIS A ND1 1 ATOM 3319 C CD2 . HIS A 1 423 ? 125.571 32.236 50.322 1.00 37.90 ? 423 HIS A CD2 1 ATOM 3320 C CE1 . HIS A 1 423 ? 125.510 33.649 51.999 1.00 41.90 ? 423 HIS A CE1 1 ATOM 3321 N NE2 . HIS A 1 423 ? 125.328 33.534 50.693 1.00 41.67 ? 423 HIS A NE2 1 ATOM 3322 N N . ARG A 1 424 ? 122.919 30.309 52.313 1.00 35.90 ? 424 ARG A N 1 ATOM 3323 C CA . ARG A 1 424 ? 121.706 30.754 51.623 1.00 37.43 ? 424 ARG A CA 1 ATOM 3324 C C . ARG A 1 424 ? 121.921 32.042 50.783 1.00 37.57 ? 424 ARG A C 1 ATOM 3325 O O . ARG A 1 424 ? 122.246 33.091 51.343 1.00 37.51 ? 424 ARG A O 1 ATOM 3326 C CB . ARG A 1 424 ? 120.584 30.990 52.623 1.00 37.03 ? 424 ARG A CB 1 ATOM 3327 C CG . ARG A 1 424 ? 119.264 31.422 51.984 1.00 37.83 ? 424 ARG A CG 1 ATOM 3328 C CD . ARG A 1 424 ? 118.126 31.444 52.961 1.00 39.83 ? 424 ARG A CD 1 ATOM 3329 N NE . ARG A 1 424 ? 116.970 32.211 52.493 1.00 41.02 ? 424 ARG A NE 1 ATOM 3330 C CZ . ARG A 1 424 ? 115.827 31.703 52.047 1.00 43.35 ? 424 ARG A CZ 1 ATOM 3331 N NH1 . ARG A 1 424 ? 115.627 30.363 51.966 1.00 39.99 ? 424 ARG A NH1 1 ATOM 3332 N NH2 . ARG A 1 424 ? 114.852 32.555 51.674 1.00 40.88 ? 424 ARG A NH2 1 ATOM 3333 N N . SER A 1 425 ? 121.686 31.961 49.478 1.00 37.47 ? 425 SER A N 1 ATOM 3334 C CA . SER A 1 425 ? 121.736 33.144 48.599 1.00 39.31 ? 425 SER A CA 1 ATOM 3335 C C . SER A 1 425 ? 120.929 34.356 49.182 1.00 39.79 ? 425 SER A C 1 ATOM 3336 O O . SER A 1 425 ? 119.781 34.215 49.611 1.00 39.65 ? 425 SER A O 1 ATOM 3337 C CB . SER A 1 425 ? 121.212 32.773 47.218 1.00 38.80 ? 425 SER A CB 1 ATOM 3338 O OG . SER A 1 425 ? 121.426 33.830 46.288 1.00 41.81 ? 425 SER A OG 1 ATOM 3339 N N . SER A 1 426 ? 121.546 35.528 49.239 1.00 40.79 ? 426 SER A N 1 ATOM 3340 C CA . SER A 1 426 ? 120.846 36.773 49.678 1.00 41.93 ? 426 SER A CA 1 ATOM 3341 C C . SER A 1 426 ? 119.683 37.099 48.726 1.00 43.15 ? 426 SER A C 1 ATOM 3342 O O . SER A 1 426 ? 118.728 37.763 49.103 1.00 43.34 ? 426 SER A O 1 ATOM 3343 C CB . SER A 1 426 ? 121.835 37.958 49.726 1.00 41.71 ? 426 SER A CB 1 ATOM 3344 O OG . SER A 1 426 ? 122.478 38.111 48.459 1.00 39.40 ? 426 SER A OG 1 ATOM 3345 N N . LYS A 1 427 ? 119.761 36.591 47.498 1.00 44.35 ? 427 LYS A N 1 ATOM 3346 C CA . LYS A 1 427 ? 118.760 36.850 46.483 1.00 45.10 ? 427 LYS A CA 1 ATOM 3347 C C . LYS A 1 427 ? 117.684 35.739 46.384 1.00 45.45 ? 427 LYS A C 1 ATOM 3348 O O . LYS A 1 427 ? 116.780 35.822 45.537 1.00 44.87 ? 427 LYS A O 1 ATOM 3349 C CB . LYS A 1 427 ? 119.451 37.027 45.121 1.00 45.32 ? 427 LYS A CB 1 ATOM 3350 C CG . LYS A 1 427 ? 120.564 38.094 45.099 1.00 48.11 ? 427 LYS A CG 1 ATOM 3351 C CD . LYS A 1 427 ? 121.242 38.150 43.733 1.00 49.70 ? 427 LYS A CD 1 ATOM 3352 C CE . LYS A 1 427 ? 120.210 38.508 42.613 1.00 54.84 ? 427 LYS A CE 1 ATOM 3353 N NZ . LYS A 1 427 ? 120.452 37.758 41.327 1.00 56.19 ? 427 LYS A NZ 1 ATOM 3354 N N . LEU A 1 428 ? 117.779 34.700 47.221 1.00 43.80 ? 428 LEU A N 1 ATOM 3355 C CA . LEU A 1 428 ? 116.875 33.553 47.100 1.00 42.12 ? 428 LEU A CA 1 ATOM 3356 C C . LEU A 1 428 ? 115.386 33.994 47.110 1.00 40.66 ? 428 LEU A C 1 ATOM 3357 O O . LEU A 1 428 ? 114.954 34.697 48.028 1.00 41.31 ? 428 LEU A O 1 ATOM 3358 C CB . LEU A 1 428 ? 117.166 32.554 48.227 1.00 42.22 ? 428 LEU A CB 1 ATOM 3359 C CG . LEU A 1 428 ? 117.166 31.029 48.041 1.00 42.96 ? 428 LEU A CG 1 ATOM 3360 C CD1 . LEU A 1 428 ? 116.036 30.424 48.790 1.00 43.47 ? 428 LEU A CD1 1 ATOM 3361 C CD2 . LEU A 1 428 ? 117.256 30.509 46.622 1.00 41.06 ? 428 LEU A CD2 1 ATOM 3362 N N . PRO A 1 429 ? 114.621 33.645 46.079 1.00 38.87 ? 429 PRO A N 1 ATOM 3363 C CA . PRO A 1 429 ? 113.185 34.033 45.997 1.00 38.41 ? 429 PRO A CA 1 ATOM 3364 C C . PRO A 1 429 ? 112.240 33.161 46.834 1.00 38.42 ? 429 PRO A C 1 ATOM 3365 O O . PRO A 1 429 ? 111.099 33.547 47.117 1.00 38.20 ? 429 PRO A O 1 ATOM 3366 C CB . PRO A 1 429 ? 112.860 33.895 44.503 1.00 37.77 ? 429 PRO A CB 1 ATOM 3367 C CG . PRO A 1 429 ? 113.890 33.061 43.919 1.00 39.35 ? 429 PRO A CG 1 ATOM 3368 C CD . PRO A 1 429 ? 115.077 32.924 44.883 1.00 39.07 ? 429 PRO A CD 1 ATOM 3369 N N . TRP A 1 430 ? 112.727 31.994 47.244 1.00 37.04 ? 430 TRP A N 1 ATOM 3370 C CA . TRP A 1 430 ? 111.985 31.093 48.101 1.00 36.73 ? 430 TRP A CA 1 ATOM 3371 C C . TRP A 1 430 ? 112.002 31.583 49.565 1.00 35.74 ? 430 TRP A C 1 ATOM 3372 O O . TRP A 1 430 ? 112.884 32.316 49.942 1.00 36.33 ? 430 TRP A O 1 ATOM 3373 C CB . TRP A 1 430 ? 112.615 29.701 47.990 1.00 36.19 ? 430 TRP A CB 1 ATOM 3374 C CG . TRP A 1 430 ? 112.553 29.049 46.606 1.00 34.19 ? 430 TRP A CG 1 ATOM 3375 C CD1 . TRP A 1 430 ? 113.567 29.007 45.666 1.00 34.53 ? 430 TRP A CD1 1 ATOM 3376 C CD2 . TRP A 1 430 ? 111.449 28.364 46.019 1.00 32.56 ? 430 TRP A CD2 1 ATOM 3377 N NE1 . TRP A 1 430 ? 113.152 28.328 44.542 1.00 32.90 ? 430 TRP A NE1 1 ATOM 3378 C CE2 . TRP A 1 430 ? 111.871 27.890 44.744 1.00 31.11 ? 430 TRP A CE2 1 ATOM 3379 C CE3 . TRP A 1 430 ? 110.150 28.050 46.453 1.00 33.97 ? 430 TRP A CE3 1 ATOM 3380 C CZ2 . TRP A 1 430 ? 111.051 27.157 43.910 1.00 30.48 ? 430 TRP A CZ2 1 ATOM 3381 C CZ3 . TRP A 1 430 ? 109.341 27.294 45.618 1.00 34.25 ? 430 TRP A CZ3 1 ATOM 3382 C CH2 . TRP A 1 430 ? 109.780 26.881 44.353 1.00 34.06 ? 430 TRP A CH2 1 ATOM 3383 N N . PRO A 1 431 ? 111.055 31.170 50.400 1.00 35.51 ? 431 PRO A N 1 ATOM 3384 C CA . PRO A 1 431 ? 111.015 31.670 51.774 1.00 35.75 ? 431 PRO A CA 1 ATOM 3385 C C . PRO A 1 431 ? 112.188 31.185 52.640 1.00 37.79 ? 431 PRO A C 1 ATOM 3386 O O . PRO A 1 431 ? 112.879 30.179 52.304 1.00 36.96 ? 431 PRO A O 1 ATOM 3387 C CB . PRO A 1 431 ? 109.702 31.121 52.325 1.00 35.40 ? 431 PRO A CB 1 ATOM 3388 C CG . PRO A 1 431 ? 109.399 29.901 51.426 1.00 35.21 ? 431 PRO A CG 1 ATOM 3389 C CD . PRO A 1 431 ? 109.920 30.294 50.072 1.00 34.97 ? 431 PRO A CD 1 ATOM 3390 N N . GLU A 1 432 ? 112.402 31.910 53.735 1.00 37.85 ? 432 GLU A N 1 ATOM 3391 C CA . GLU A 1 432 ? 113.477 31.661 54.679 1.00 40.50 ? 432 GLU A CA 1 ATOM 3392 C C . GLU A 1 432 ? 113.407 30.291 55.309 1.00 39.29 ? 432 GLU A C 1 ATOM 3393 O O . GLU A 1 432 ? 114.440 29.733 55.644 1.00 39.72 ? 432 GLU A O 1 ATOM 3394 C CB . GLU A 1 432 ? 113.499 32.719 55.808 1.00 41.50 ? 432 GLU A CB 1 ATOM 3395 C CG . GLU A 1 432 ? 114.445 33.878 55.517 1.00 45.84 ? 432 GLU A CG 1 ATOM 3396 C CD . GLU A 1 432 ? 115.819 33.682 56.152 0.50 48.53 ? 432 GLU A CD 1 ATOM 3397 O OE1 . GLU A 1 432 ? 116.768 33.266 55.435 0.50 47.94 ? 432 GLU A OE1 1 ATOM 3398 O OE2 . GLU A 1 432 ? 115.949 33.947 57.375 0.50 49.77 ? 432 GLU A OE2 1 ATOM 3399 N N . TRP A 1 433 ? 112.212 29.769 55.494 1.00 38.29 ? 433 TRP A N 1 ATOM 3400 C CA . TRP A 1 433 ? 112.104 28.443 56.133 1.00 39.28 ? 433 TRP A CA 1 ATOM 3401 C C . TRP A 1 433 ? 112.742 27.347 55.255 1.00 39.14 ? 433 TRP A C 1 ATOM 3402 O O . TRP A 1 433 ? 113.174 26.329 55.783 1.00 39.09 ? 433 TRP A O 1 ATOM 3403 C CB . TRP A 1 433 ? 110.655 28.049 56.496 1.00 37.87 ? 433 TRP A CB 1 ATOM 3404 C CG . TRP A 1 433 ? 109.694 27.710 55.365 1.00 37.74 ? 433 TRP A CG 1 ATOM 3405 C CD1 . TRP A 1 433 ? 108.705 28.524 54.891 1.00 35.56 ? 433 TRP A CD1 1 ATOM 3406 C CD2 . TRP A 1 433 ? 109.530 26.438 54.653 1.00 38.16 ? 433 TRP A CD2 1 ATOM 3407 N NE1 . TRP A 1 433 ? 107.986 27.882 53.906 1.00 38.12 ? 433 TRP A NE1 1 ATOM 3408 C CE2 . TRP A 1 433 ? 108.460 26.606 53.738 1.00 36.86 ? 433 TRP A CE2 1 ATOM 3409 C CE3 . TRP A 1 433 ? 110.205 25.189 54.676 1.00 40.19 ? 433 TRP A CE3 1 ATOM 3410 C CZ2 . TRP A 1 433 ? 108.032 25.582 52.856 1.00 39.47 ? 433 TRP A CZ2 1 ATOM 3411 C CZ3 . TRP A 1 433 ? 109.805 24.164 53.767 1.00 37.95 ? 433 TRP A CZ3 1 ATOM 3412 C CH2 . TRP A 1 433 ? 108.723 24.373 52.868 1.00 39.19 ? 433 TRP A CH2 1 ATOM 3413 N N . MET A 1 434 ? 112.801 27.561 53.934 1.00 37.88 ? 434 MET A N 1 ATOM 3414 C CA . MET A 1 434 ? 113.426 26.550 53.056 1.00 37.95 ? 434 MET A CA 1 ATOM 3415 C C . MET A 1 434 ? 114.952 26.552 53.174 1.00 35.72 ? 434 MET A C 1 ATOM 3416 O O . MET A 1 434 ? 115.602 25.636 52.699 1.00 35.66 ? 434 MET A O 1 ATOM 3417 C CB . MET A 1 434 ? 112.959 26.660 51.591 1.00 37.76 ? 434 MET A CB 1 ATOM 3418 C CG . MET A 1 434 ? 111.425 26.738 51.396 1.00 40.35 ? 434 MET A CG 1 ATOM 3419 S SD . MET A 1 434 ? 111.053 26.497 49.681 1.00 43.15 ? 434 MET A SD 1 ATOM 3420 C CE . MET A 1 434 ? 109.457 25.796 49.647 1.00 45.25 ? 434 MET A CE 1 ATOM 3421 N N . GLY A 1 435 ? 115.517 27.567 53.822 1.00 35.17 ? 435 GLY A N 1 ATOM 3422 C CA . GLY A 1 435 ? 116.956 27.594 54.131 1.00 34.02 ? 435 GLY A CA 1 ATOM 3423 C C . GLY A 1 435 ? 117.875 27.465 52.918 1.00 34.26 ? 435 GLY A C 1 ATOM 3424 O O . GLY A 1 435 ? 117.633 28.140 51.904 1.00 31.82 ? 435 GLY A O 1 ATOM 3425 N N . VAL A 1 436 ? 118.920 26.616 53.032 1.00 32.66 ? 436 VAL A N 1 ATOM 3426 C CA . VAL A 1 436 ? 119.973 26.429 51.992 1.00 32.80 ? 436 VAL A CA 1 ATOM 3427 C C . VAL A 1 436 ? 119.543 25.331 51.007 1.00 32.90 ? 436 VAL A C 1 ATOM 3428 O O . VAL A 1 436 ? 119.864 24.138 51.156 1.00 33.16 ? 436 VAL A O 1 ATOM 3429 C CB . VAL A 1 436 ? 121.404 26.037 52.611 1.00 32.65 ? 436 VAL A CB 1 ATOM 3430 C CG1 . VAL A 1 436 ? 122.476 25.969 51.538 1.00 31.58 ? 436 VAL A CG1 1 ATOM 3431 C CG2 . VAL A 1 436 ? 121.801 26.965 53.770 1.00 30.54 ? 436 VAL A CG2 1 ATOM 3432 N N . MET A 1 437 ? 118.874 25.744 49.959 1.00 31.32 ? 437 MET A N 1 ATOM 3433 C CA . MET A 1 437 ? 118.124 24.811 49.192 1.00 30.32 ? 437 MET A CA 1 ATOM 3434 C C . MET A 1 437 ? 118.929 24.000 48.204 1.00 30.74 ? 437 MET A C 1 ATOM 3435 O O . MET A 1 437 ? 120.013 24.410 47.745 1.00 28.62 ? 437 MET A O 1 ATOM 3436 C CB . MET A 1 437 ? 117.029 25.557 48.438 1.00 31.18 ? 437 MET A CB 1 ATOM 3437 C CG . MET A 1 437 ? 115.916 26.088 49.352 1.00 33.03 ? 437 MET A CG 1 ATOM 3438 S SD . MET A 1 437 ? 114.731 27.053 48.327 1.00 31.68 ? 437 MET A SD 1 ATOM 3439 C CE . MET A 1 437 ? 114.059 25.892 47.174 1.00 28.27 ? 437 MET A CE 1 ATOM 3440 N N . HIS A 1 438 ? 118.340 22.864 47.833 1.00 30.15 ? 438 HIS A N 1 ATOM 3441 C CA . HIS A 1 438 ? 118.809 22.080 46.702 1.00 30.68 ? 438 HIS A CA 1 ATOM 3442 C C . HIS A 1 438 ? 118.934 22.935 45.427 1.00 31.56 ? 438 HIS A C 1 ATOM 3443 O O . HIS A 1 438 ? 117.980 23.606 45.079 1.00 31.35 ? 438 HIS A O 1 ATOM 3444 C CB . HIS A 1 438 ? 117.791 20.967 46.457 1.00 30.80 ? 438 HIS A CB 1 ATOM 3445 C CG . HIS A 1 438 ? 118.123 20.095 45.283 1.00 32.09 ? 438 HIS A CG 1 ATOM 3446 N ND1 . HIS A 1 438 ? 119.039 19.070 45.363 1.00 30.32 ? 438 HIS A ND1 1 ATOM 3447 C CD2 . HIS A 1 438 ? 117.698 20.127 43.997 1.00 31.42 ? 438 HIS A CD2 1 ATOM 3448 C CE1 . HIS A 1 438 ? 119.120 18.472 44.180 1.00 34.12 ? 438 HIS A CE1 1 ATOM 3449 N NE2 . HIS A 1 438 ? 118.301 19.082 43.343 1.00 33.55 ? 438 HIS A NE2 1 ATOM 3450 N N . GLY A 1 439 ? 120.066 22.865 44.700 1.00 31.38 ? 439 GLY A N 1 ATOM 3451 C CA . GLY A 1 439 ? 120.214 23.595 43.416 1.00 30.55 ? 439 GLY A CA 1 ATOM 3452 C C . GLY A 1 439 ? 120.909 24.940 43.605 1.00 31.06 ? 439 GLY A C 1 ATOM 3453 O O . GLY A 1 439 ? 121.358 25.553 42.652 1.00 31.53 ? 439 GLY A O 1 ATOM 3454 N N . TYR A 1 440 ? 121.007 25.427 44.826 1.00 30.54 ? 440 TYR A N 1 ATOM 3455 C CA . TYR A 1 440 ? 121.411 26.824 44.990 1.00 30.65 ? 440 TYR A CA 1 ATOM 3456 C C . TYR A 1 440 ? 122.902 27.033 45.326 1.00 30.72 ? 440 TYR A C 1 ATOM 3457 O O . TYR A 1 440 ? 123.305 28.124 45.700 1.00 32.46 ? 440 TYR A O 1 ATOM 3458 C CB . TYR A 1 440 ? 120.396 27.578 45.892 1.00 30.68 ? 440 TYR A CB 1 ATOM 3459 C CG . TYR A 1 440 ? 119.088 27.799 45.099 1.00 31.50 ? 440 TYR A CG 1 ATOM 3460 C CD1 . TYR A 1 440 ? 118.038 26.877 45.167 1.00 28.32 ? 440 TYR A CD1 1 ATOM 3461 C CD2 . TYR A 1 440 ? 118.954 28.898 44.228 1.00 30.91 ? 440 TYR A CD2 1 ATOM 3462 C CE1 . TYR A 1 440 ? 116.850 27.031 44.400 1.00 28.17 ? 440 TYR A CE1 1 ATOM 3463 C CE2 . TYR A 1 440 ? 117.775 29.061 43.427 1.00 31.75 ? 440 TYR A CE2 1 ATOM 3464 C CZ . TYR A 1 440 ? 116.734 28.156 43.545 1.00 30.96 ? 440 TYR A CZ 1 ATOM 3465 O OH . TYR A 1 440 ? 115.593 28.336 42.806 1.00 34.53 ? 440 TYR A OH 1 ATOM 3466 N N . GLU A 1 441 ? 123.722 25.981 45.179 1.00 29.80 ? 441 GLU A N 1 ATOM 3467 C CA . GLU A 1 441 ? 125.178 26.146 45.180 1.00 29.34 ? 441 GLU A CA 1 ATOM 3468 C C . GLU A 1 441 ? 125.627 26.428 43.759 1.00 28.99 ? 441 GLU A C 1 ATOM 3469 O O . GLU A 1 441 ? 126.721 26.958 43.531 1.00 28.53 ? 441 GLU A O 1 ATOM 3470 C CB . GLU A 1 441 ? 125.885 24.874 45.731 1.00 28.70 ? 441 GLU A CB 1 ATOM 3471 C CG . GLU A 1 441 ? 126.170 23.786 44.721 1.00 29.92 ? 441 GLU A CG 1 ATOM 3472 C CD . GLU A 1 441 ? 124.910 23.030 44.212 1.00 31.19 ? 441 GLU A CD 1 ATOM 3473 O OE1 . GLU A 1 441 ? 123.769 23.319 44.660 1.00 31.30 ? 441 GLU A OE1 1 ATOM 3474 O OE2 . GLU A 1 441 ? 125.096 22.127 43.351 1.00 29.94 ? 441 GLU A OE2 1 ATOM 3475 N N . ILE A 1 442 ? 124.795 26.027 42.807 1.00 28.57 ? 442 ILE A N 1 ATOM 3476 C CA . ILE A 1 442 ? 125.218 25.967 41.407 1.00 29.33 ? 442 ILE A CA 1 ATOM 3477 C C . ILE A 1 442 ? 125.686 27.337 40.958 1.00 30.20 ? 442 ILE A C 1 ATOM 3478 O O . ILE A 1 442 ? 126.764 27.468 40.362 1.00 30.81 ? 442 ILE A O 1 ATOM 3479 C CB . ILE A 1 442 ? 124.048 25.491 40.508 1.00 29.16 ? 442 ILE A CB 1 ATOM 3480 C CG1 . ILE A 1 442 ? 123.635 24.053 40.854 1.00 29.29 ? 442 ILE A CG1 1 ATOM 3481 C CG2 . ILE A 1 442 ? 124.424 25.594 39.014 1.00 27.15 ? 442 ILE A CG2 1 ATOM 3482 C CD1 . ILE A 1 442 ? 122.450 23.539 40.056 1.00 26.26 ? 442 ILE A CD1 1 ATOM 3483 N N . GLU A 1 443 ? 124.879 28.371 41.252 1.00 31.21 ? 443 GLU A N 1 ATOM 3484 C CA . GLU A 1 443 ? 125.254 29.747 40.847 1.00 32.66 ? 443 GLU A CA 1 ATOM 3485 C C . GLU A 1 443 ? 126.601 30.189 41.475 1.00 32.78 ? 443 GLU A C 1 ATOM 3486 O O . GLU A 1 443 ? 127.328 30.993 40.896 1.00 33.40 ? 443 GLU A O 1 ATOM 3487 C CB . GLU A 1 443 ? 124.136 30.749 41.143 1.00 31.12 ? 443 GLU A CB 1 ATOM 3488 C CG . GLU A 1 443 ? 123.763 30.866 42.611 1.00 33.20 ? 443 GLU A CG 1 ATOM 3489 C CD . GLU A 1 443 ? 122.372 31.411 42.765 1.00 37.18 ? 443 GLU A CD 1 ATOM 3490 O OE1 . GLU A 1 443 ? 121.393 30.647 42.542 1.00 33.51 ? 443 GLU A OE1 1 ATOM 3491 O OE2 . GLU A 1 443 ? 122.271 32.621 43.069 1.00 38.32 ? 443 GLU A OE2 1 ATOM 3492 N N . PHE A 1 444 ? 126.952 29.633 42.640 1.00 33.29 ? 444 PHE A N 1 ATOM 3493 C CA . PHE A 1 444 ? 128.252 29.954 43.235 1.00 32.19 ? 444 PHE A CA 1 ATOM 3494 C C . PHE A 1 444 ? 129.393 29.254 42.511 1.00 32.39 ? 444 PHE A C 1 ATOM 3495 O O . PHE A 1 444 ? 130.460 29.869 42.296 1.00 32.74 ? 444 PHE A O 1 ATOM 3496 C CB . PHE A 1 444 ? 128.270 29.655 44.721 1.00 32.66 ? 444 PHE A CB 1 ATOM 3497 C CG . PHE A 1 444 ? 127.481 30.663 45.511 1.00 31.84 ? 444 PHE A CG 1 ATOM 3498 C CD1 . PHE A 1 444 ? 126.096 30.608 45.530 1.00 31.95 ? 444 PHE A CD1 1 ATOM 3499 C CD2 . PHE A 1 444 ? 128.133 31.716 46.167 1.00 33.05 ? 444 PHE A CD2 1 ATOM 3500 C CE1 . PHE A 1 444 ? 125.358 31.572 46.200 1.00 29.88 ? 444 PHE A CE1 1 ATOM 3501 C CE2 . PHE A 1 444 ? 127.415 32.684 46.858 1.00 30.24 ? 444 PHE A CE2 1 ATOM 3502 C CZ . PHE A 1 444 ? 126.030 32.617 46.870 1.00 31.42 ? 444 PHE A CZ 1 ATOM 3503 N N . VAL A 1 445 ? 129.147 28.010 42.096 1.00 30.07 ? 445 VAL A N 1 ATOM 3504 C CA . VAL A 1 445 ? 130.138 27.219 41.350 1.00 29.28 ? 445 VAL A CA 1 ATOM 3505 C C . VAL A 1 445 ? 130.440 27.882 40.007 1.00 30.41 ? 445 VAL A C 1 ATOM 3506 O O . VAL A 1 445 ? 131.613 27.936 39.589 1.00 30.96 ? 445 VAL A O 1 ATOM 3507 C CB . VAL A 1 445 ? 129.678 25.723 41.187 1.00 29.59 ? 445 VAL A CB 1 ATOM 3508 C CG1 . VAL A 1 445 ? 130.564 24.939 40.182 1.00 26.62 ? 445 VAL A CG1 1 ATOM 3509 C CG2 . VAL A 1 445 ? 129.680 25.017 42.566 1.00 29.26 ? 445 VAL A CG2 1 ATOM 3510 N N . PHE A 1 446 ? 129.390 28.398 39.337 1.00 29.22 ? 446 PHE A N 1 ATOM 3511 C CA . PHE A 1 446 ? 129.554 28.994 38.011 1.00 30.30 ? 446 PHE A CA 1 ATOM 3512 C C . PHE A 1 446 ? 130.032 30.463 38.076 1.00 31.21 ? 446 PHE A C 1 ATOM 3513 O O . PHE A 1 446 ? 130.350 31.065 37.034 1.00 32.36 ? 446 PHE A O 1 ATOM 3514 C CB . PHE A 1 446 ? 128.256 28.837 37.172 1.00 28.10 ? 446 PHE A CB 1 ATOM 3515 C CG . PHE A 1 446 ? 128.146 27.503 36.463 1.00 25.30 ? 446 PHE A CG 1 ATOM 3516 C CD1 . PHE A 1 446 ? 127.623 26.380 37.144 1.00 26.95 ? 446 PHE A CD1 1 ATOM 3517 C CD2 . PHE A 1 446 ? 128.617 27.349 35.181 1.00 23.52 ? 446 PHE A CD2 1 ATOM 3518 C CE1 . PHE A 1 446 ? 127.505 25.160 36.534 1.00 27.96 ? 446 PHE A CE1 1 ATOM 3519 C CE2 . PHE A 1 446 ? 128.527 26.115 34.515 1.00 26.18 ? 446 PHE A CE2 1 ATOM 3520 C CZ . PHE A 1 446 ? 127.958 25.001 35.192 1.00 29.04 ? 446 PHE A CZ 1 ATOM 3521 N N . GLY A 1 447 ? 130.091 31.031 39.294 1.00 32.97 ? 447 GLY A N 1 ATOM 3522 C CA . GLY A 1 447 ? 130.742 32.348 39.507 1.00 34.25 ? 447 GLY A CA 1 ATOM 3523 C C . GLY A 1 447 ? 129.810 33.530 39.235 1.00 36.48 ? 447 GLY A C 1 ATOM 3524 O O . GLY A 1 447 ? 130.256 34.658 38.968 1.00 35.74 ? 447 GLY A O 1 ATOM 3525 N N . LEU A 1 448 ? 128.505 33.286 39.323 1.00 37.20 ? 448 LEU A N 1 ATOM 3526 C CA . LEU A 1 448 ? 127.549 34.367 39.085 1.00 38.53 ? 448 LEU A CA 1 ATOM 3527 C C . LEU A 1 448 ? 127.761 35.544 40.064 1.00 39.17 ? 448 LEU A C 1 ATOM 3528 O O . LEU A 1 448 ? 127.693 36.721 39.633 1.00 40.44 ? 448 LEU A O 1 ATOM 3529 C CB . LEU A 1 448 ? 126.093 33.870 39.046 1.00 37.14 ? 448 LEU A CB 1 ATOM 3530 C CG . LEU A 1 448 ? 125.552 33.434 37.679 1.00 36.91 ? 448 LEU A CG 1 ATOM 3531 C CD1 . LEU A 1 448 ? 126.276 32.176 37.093 1.00 34.58 ? 448 LEU A CD1 1 ATOM 3532 C CD2 . LEU A 1 448 ? 124.054 33.178 37.812 1.00 39.08 ? 448 LEU A CD2 1 ATOM 3533 N N . PRO A 1 449 ? 127.996 35.261 41.351 1.00 39.33 ? 449 PRO A N 1 ATOM 3534 C CA . PRO A 1 449 ? 128.300 36.338 42.317 1.00 39.49 ? 449 PRO A CA 1 ATOM 3535 C C . PRO A 1 449 ? 129.590 37.136 42.074 1.00 39.78 ? 449 PRO A C 1 ATOM 3536 O O . PRO A 1 449 ? 129.803 38.135 42.747 1.00 39.99 ? 449 PRO A O 1 ATOM 3537 C CB . PRO A 1 449 ? 128.311 35.630 43.676 1.00 38.00 ? 449 PRO A CB 1 ATOM 3538 C CG . PRO A 1 449 ? 127.494 34.363 43.407 1.00 39.91 ? 449 PRO A CG 1 ATOM 3539 C CD . PRO A 1 449 ? 127.898 33.949 42.021 1.00 38.66 ? 449 PRO A CD 1 ATOM 3540 N N . LEU A 1 450 ? 130.426 36.700 41.143 1.00 41.21 ? 450 LEU A N 1 ATOM 3541 C CA . LEU A 1 450 ? 131.589 37.468 40.706 1.00 43.05 ? 450 LEU A CA 1 ATOM 3542 C C . LEU A 1 450 ? 131.157 38.720 39.929 1.00 45.19 ? 450 LEU A C 1 ATOM 3543 O O . LEU A 1 450 ? 131.924 39.681 39.801 1.00 44.76 ? 450 LEU A O 1 ATOM 3544 C CB . LEU A 1 450 ? 132.528 36.611 39.865 1.00 42.17 ? 450 LEU A CB 1 ATOM 3545 C CG . LEU A 1 450 ? 133.035 35.351 40.611 1.00 41.57 ? 450 LEU A CG 1 ATOM 3546 C CD1 . LEU A 1 450 ? 134.072 34.592 39.801 1.00 37.14 ? 450 LEU A CD1 1 ATOM 3547 C CD2 . LEU A 1 450 ? 133.602 35.734 41.994 1.00 40.71 ? 450 LEU A CD2 1 ATOM 3548 N N . GLU A 1 451 ? 129.921 38.707 39.434 1.00 48.35 ? 451 GLU A N 1 ATOM 3549 C CA . GLU A 1 451 ? 129.379 39.843 38.697 1.00 51.88 ? 451 GLU A CA 1 ATOM 3550 C C . GLU A 1 451 ? 128.791 40.836 39.694 1.00 53.59 ? 451 GLU A C 1 ATOM 3551 O O . GLU A 1 451 ? 127.754 40.577 40.327 1.00 53.75 ? 451 GLU A O 1 ATOM 3552 C CB . GLU A 1 451 ? 128.337 39.403 37.679 1.00 52.06 ? 451 GLU A CB 1 ATOM 3553 C CG . GLU A 1 451 ? 127.596 40.557 37.023 1.00 56.25 ? 451 GLU A CG 1 ATOM 3554 C CD . GLU A 1 451 ? 128.436 41.255 35.958 1.00 59.62 ? 451 GLU A CD 1 ATOM 3555 O OE1 . GLU A 1 451 ? 129.092 42.293 36.268 1.00 61.28 ? 451 GLU A OE1 1 ATOM 3556 O OE2 . GLU A 1 451 ? 128.457 40.745 34.809 1.00 62.21 ? 451 GLU A OE2 1 ATOM 3557 N N . ARG A 1 452 ? 129.487 41.965 39.829 1.00 55.96 ? 452 ARG A N 1 ATOM 3558 C CA . ARG A 1 452 ? 129.094 43.076 40.706 1.00 58.12 ? 452 ARG A CA 1 ATOM 3559 C C . ARG A 1 452 ? 127.744 43.726 40.365 1.00 58.99 ? 452 ARG A C 1 ATOM 3560 O O . ARG A 1 452 ? 127.028 44.167 41.258 1.00 59.36 ? 452 ARG A O 1 ATOM 3561 C CB . ARG A 1 452 ? 130.197 44.135 40.732 1.00 58.10 ? 452 ARG A CB 1 ATOM 3562 C CG . ARG A 1 452 ? 131.130 43.990 41.911 1.00 59.95 ? 452 ARG A CG 1 ATOM 3563 C CD . ARG A 1 452 ? 131.234 42.565 42.424 0.50 59.50 ? 452 ARG A CD 1 ATOM 3564 N NE . ARG A 1 452 ? 131.455 42.510 43.863 0.50 59.36 ? 452 ARG A NE 1 ATOM 3565 C CZ . ARG A 1 452 ? 130.497 42.467 44.783 0.50 58.95 ? 452 ARG A CZ 1 ATOM 3566 N NH1 . ARG A 1 452 ? 129.215 42.494 44.443 0.50 57.39 ? 452 ARG A NH1 1 ATOM 3567 N NH2 . ARG A 1 452 ? 130.834 42.403 46.059 0.50 57.79 ? 452 ARG A NH2 1 ATOM 3568 N N . ARG A 1 453 ? 127.396 43.782 39.085 1.00 60.14 ? 453 ARG A N 1 ATOM 3569 C CA . ARG A 1 453 ? 126.082 44.324 38.700 1.00 61.15 ? 453 ARG A CA 1 ATOM 3570 C C . ARG A 1 453 ? 124.909 43.508 39.300 1.00 61.32 ? 453 ARG A C 1 ATOM 3571 O O . ARG A 1 453 ? 123.841 44.072 39.586 1.00 61.53 ? 453 ARG A O 1 ATOM 3572 C CB . ARG A 1 453 ? 125.943 44.442 37.167 1.00 61.30 ? 453 ARG A CB 1 ATOM 3573 C CG . ARG A 1 453 ? 127.105 45.171 36.414 1.00 62.37 ? 453 ARG A CG 1 ATOM 3574 C CD . ARG A 1 453 ? 127.594 46.503 37.007 0.50 62.26 ? 453 ARG A CD 1 ATOM 3575 N NE . ARG A 1 453 ? 126.532 47.489 37.219 0.50 62.84 ? 453 ARG A NE 1 ATOM 3576 C CZ . ARG A 1 453 ? 126.184 47.984 38.405 0.50 62.45 ? 453 ARG A CZ 1 ATOM 3577 N NH1 . ARG A 1 453 ? 126.808 47.593 39.511 0.50 62.42 ? 453 ARG A NH1 1 ATOM 3578 N NH2 . ARG A 1 453 ? 125.215 48.882 38.487 0.50 61.86 ? 453 ARG A NH2 1 ATOM 3579 N N . ASP A 1 454 ? 125.125 42.204 39.522 1.00 60.58 ? 454 ASP A N 1 ATOM 3580 C CA . ASP A 1 454 ? 124.047 41.275 39.881 1.00 60.13 ? 454 ASP A CA 1 ATOM 3581 C C . ASP A 1 454 ? 123.479 41.363 41.309 1.00 59.16 ? 454 ASP A C 1 ATOM 3582 O O . ASP A 1 454 ? 122.603 40.576 41.674 1.00 60.78 ? 454 ASP A O 1 ATOM 3583 C CB . ASP A 1 454 ? 124.481 39.838 39.592 1.00 60.90 ? 454 ASP A CB 1 ATOM 3584 C CG . ASP A 1 454 ? 123.639 39.164 38.516 1.00 62.53 ? 454 ASP A CG 1 ATOM 3585 O OD1 . ASP A 1 454 ? 123.228 39.844 37.535 0.70 64.32 ? 454 ASP A OD1 1 ATOM 3586 O OD2 . ASP A 1 454 ? 123.364 37.932 38.564 0.70 63.97 ? 454 ASP A OD2 1 ATOM 3587 N N . GLN A 1 455 ? 123.973 42.311 42.101 1.00 57.09 ? 455 GLN A N 1 ATOM 3588 C CA . GLN A 1 455 ? 123.534 42.554 43.495 1.00 54.40 ? 455 GLN A CA 1 ATOM 3589 C C . GLN A 1 455 ? 123.590 41.434 44.515 0.10 52.39 ? 455 GLN A C 1 ATOM 3590 O O . GLN A 1 455 ? 122.772 41.372 45.388 1.00 52.71 ? 455 GLN A O 1 ATOM 3591 C CB . GLN A 1 455 ? 122.212 43.346 43.612 0.50 54.60 ? 455 GLN A CB 1 ATOM 3592 C CG . GLN A 1 455 ? 121.008 42.814 42.853 0.10 54.80 ? 455 GLN A CG 1 ATOM 3593 C CD . GLN A 1 455 ? 120.868 43.462 41.495 0.10 55.26 ? 455 GLN A CD 1 ATOM 3594 O OE1 . GLN A 1 455 ? 120.283 42.881 40.580 0.50 56.80 ? 455 GLN A OE1 1 ATOM 3595 N NE2 . GLN A 1 455 ? 121.414 44.668 41.354 0.50 54.46 ? 455 GLN A NE2 1 ATOM 3596 N N . TYR A 1 456 ? 124.560 40.544 44.406 1.00 49.71 ? 456 TYR A N 1 ATOM 3597 C CA . TYR A 1 456 ? 124.918 39.654 45.506 1.00 46.49 ? 456 TYR A CA 1 ATOM 3598 C C . TYR A 1 456 ? 125.767 40.511 46.454 1.00 45.45 ? 456 TYR A C 1 ATOM 3599 O O . TYR A 1 456 ? 126.347 41.517 46.004 1.00 44.02 ? 456 TYR A O 1 ATOM 3600 C CB . TYR A 1 456 ? 125.772 38.498 44.971 1.00 44.74 ? 456 TYR A CB 1 ATOM 3601 C CG . TYR A 1 456 ? 125.060 37.465 44.111 1.00 41.77 ? 456 TYR A CG 1 ATOM 3602 C CD1 . TYR A 1 456 ? 125.039 37.569 42.729 1.00 40.12 ? 456 TYR A CD1 1 ATOM 3603 C CD2 . TYR A 1 456 ? 124.472 36.337 44.693 1.00 37.76 ? 456 TYR A CD2 1 ATOM 3604 C CE1 . TYR A 1 456 ? 124.409 36.584 41.924 1.00 39.04 ? 456 TYR A CE1 1 ATOM 3605 C CE2 . TYR A 1 456 ? 123.847 35.353 43.907 1.00 39.64 ? 456 TYR A CE2 1 ATOM 3606 C CZ . TYR A 1 456 ? 123.815 35.487 42.527 1.00 39.62 ? 456 TYR A CZ 1 ATOM 3607 O OH . TYR A 1 456 ? 123.229 34.505 41.767 1.00 40.58 ? 456 TYR A OH 1 ATOM 3608 N N . THR A 1 457 ? 125.874 40.090 47.726 1.00 44.12 ? 457 THR A N 1 ATOM 3609 C CA . THR A 1 457 ? 126.768 40.727 48.704 1.00 42.79 ? 457 THR A CA 1 ATOM 3610 C C . THR A 1 457 ? 128.248 40.517 48.397 1.00 43.22 ? 457 THR A C 1 ATOM 3611 O O . THR A 1 457 ? 128.639 39.655 47.594 1.00 42.76 ? 457 THR A O 1 ATOM 3612 C CB . THR A 1 457 ? 126.515 40.273 50.155 1.00 43.36 ? 457 THR A CB 1 ATOM 3613 O OG1 . THR A 1 457 ? 126.879 38.895 50.299 1.00 43.17 ? 457 THR A OG1 1 ATOM 3614 C CG2 . THR A 1 457 ? 125.037 40.348 50.556 1.00 41.68 ? 457 THR A CG2 1 ATOM 3615 N N . LYS A 1 458 ? 129.075 41.344 49.029 1.00 42.89 ? 458 LYS A N 1 ATOM 3616 C CA . LYS A 1 458 ? 130.514 41.191 48.958 1.00 42.50 ? 458 LYS A CA 1 ATOM 3617 C C . LYS A 1 458 ? 130.963 39.840 49.567 1.00 41.00 ? 458 LYS A C 1 ATOM 3618 O O . LYS A 1 458 ? 131.874 39.198 49.052 1.00 40.77 ? 458 LYS A O 1 ATOM 3619 C CB . LYS A 1 458 ? 131.213 42.382 49.665 1.00 43.06 ? 458 LYS A CB 1 ATOM 3620 C CG . LYS A 1 458 ? 132.737 42.354 49.587 1.00 44.67 ? 458 LYS A CG 1 ATOM 3621 C CD . LYS A 1 458 ? 133.245 42.996 48.295 1.00 50.45 ? 458 LYS A CD 1 ATOM 3622 C CE . LYS A 1 458 ? 134.577 42.372 47.873 1.00 53.83 ? 458 LYS A CE 1 ATOM 3623 N NZ . LYS A 1 458 ? 135.151 43.034 46.631 0.80 51.18 ? 458 LYS A NZ 1 ATOM 3624 N N . ALA A 1 459 ? 130.329 39.416 50.655 1.00 39.75 ? 459 ALA A N 1 ATOM 3625 C CA . ALA A 1 459 ? 130.709 38.163 51.244 1.00 39.56 ? 459 ALA A CA 1 ATOM 3626 C C . ALA A 1 459 ? 130.440 37.039 50.228 1.00 38.92 ? 459 ALA A C 1 ATOM 3627 O O . ALA A 1 459 ? 131.197 36.068 50.171 1.00 39.63 ? 459 ALA A O 1 ATOM 3628 C CB . ALA A 1 459 ? 129.991 37.931 52.599 1.00 39.53 ? 459 ALA A CB 1 ATOM 3629 N N . GLU A 1 460 ? 129.429 37.214 49.380 1.00 38.72 ? 460 GLU A N 1 ATOM 3630 C CA . GLU A 1 460 ? 129.076 36.215 48.355 1.00 39.22 ? 460 GLU A CA 1 ATOM 3631 C C . GLU A 1 460 ? 130.040 36.174 47.166 1.00 39.59 ? 460 GLU A C 1 ATOM 3632 O O . GLU A 1 460 ? 130.382 35.095 46.664 1.00 38.59 ? 460 GLU A O 1 ATOM 3633 C CB . GLU A 1 460 ? 127.627 36.411 47.920 1.00 39.76 ? 460 GLU A CB 1 ATOM 3634 C CG . GLU A 1 460 ? 126.663 35.983 49.025 1.00 38.59 ? 460 GLU A CG 1 ATOM 3635 C CD . GLU A 1 460 ? 125.197 36.174 48.666 1.00 40.90 ? 460 GLU A CD 1 ATOM 3636 O OE1 . GLU A 1 460 ? 124.883 37.156 47.976 1.00 41.47 ? 460 GLU A OE1 1 ATOM 3637 O OE2 . GLU A 1 460 ? 124.338 35.362 49.106 1.00 41.28 ? 460 GLU A OE2 1 ATOM 3638 N N . GLU A 1 461 ? 130.504 37.348 46.723 1.00 40.26 ? 461 GLU A N 1 ATOM 3639 C CA . GLU A 1 461 ? 131.583 37.424 45.756 1.00 40.25 ? 461 GLU A CA 1 ATOM 3640 C C . GLU A 1 461 ? 132.791 36.645 46.257 1.00 39.60 ? 461 GLU A C 1 ATOM 3641 O O . GLU A 1 461 ? 133.330 35.792 45.541 1.00 40.26 ? 461 GLU A O 1 ATOM 3642 C CB . GLU A 1 461 ? 131.949 38.883 45.460 1.00 41.06 ? 461 GLU A CB 1 ATOM 3643 C CG . GLU A 1 461 ? 133.044 39.019 44.392 1.00 44.63 ? 461 GLU A CG 1 ATOM 3644 C CD . GLU A 1 461 ? 133.682 40.436 44.266 1.00 49.77 ? 461 GLU A CD 1 ATOM 3645 O OE1 . GLU A 1 461 ? 134.513 40.638 43.341 0.80 50.73 ? 461 GLU A OE1 1 ATOM 3646 O OE2 . GLU A 1 461 ? 133.373 41.335 45.071 0.80 51.55 ? 461 GLU A OE2 1 ATOM 3647 N N . ILE A 1 462 ? 133.228 36.939 47.482 1.00 39.92 ? 462 ILE A N 1 ATOM 3648 C CA . ILE A 1 462 ? 134.385 36.245 48.060 1.00 40.39 ? 462 ILE A CA 1 ATOM 3649 C C . ILE A 1 462 ? 134.169 34.680 48.127 1.00 38.68 ? 462 ILE A C 1 ATOM 3650 O O . ILE A 1 462 ? 135.047 33.894 47.750 1.00 38.89 ? 462 ILE A O 1 ATOM 3651 C CB . ILE A 1 462 ? 134.731 36.840 49.504 1.00 41.46 ? 462 ILE A CB 1 ATOM 3652 C CG1 . ILE A 1 462 ? 134.921 38.370 49.496 1.00 44.79 ? 462 ILE A CG1 1 ATOM 3653 C CG2 . ILE A 1 462 ? 135.987 36.185 50.101 1.00 43.57 ? 462 ILE A CG2 1 ATOM 3654 C CD1 . ILE A 1 462 ? 136.085 38.833 48.608 1.00 48.99 ? 462 ILE A CD1 1 ATOM 3655 N N . LEU A 1 463 ? 133.009 34.241 48.616 1.00 36.93 ? 463 LEU A N 1 ATOM 3656 C CA . LEU A 1 463 ? 132.686 32.785 48.680 1.00 35.34 ? 463 LEU A CA 1 ATOM 3657 C C . LEU A 1 463 ? 132.732 32.140 47.280 1.00 34.58 ? 463 LEU A C 1 ATOM 3658 O O . LEU A 1 463 ? 133.334 31.087 47.088 1.00 33.46 ? 463 LEU A O 1 ATOM 3659 C CB . LEU A 1 463 ? 131.310 32.557 49.302 1.00 34.75 ? 463 LEU A CB 1 ATOM 3660 C CG . LEU A 1 463 ? 130.872 31.067 49.311 1.00 35.66 ? 463 LEU A CG 1 ATOM 3661 C CD1 . LEU A 1 463 ? 131.915 30.196 50.085 1.00 30.49 ? 463 LEU A CD1 1 ATOM 3662 C CD2 . LEU A 1 463 ? 129.495 31.001 49.960 1.00 31.42 ? 463 LEU A CD2 1 ATOM 3663 N N . SER A 1 464 ? 132.099 32.790 46.309 1.00 33.12 ? 464 SER A N 1 ATOM 3664 C CA . SER A 1 464 ? 132.058 32.257 44.971 1.00 33.36 ? 464 SER A CA 1 ATOM 3665 C C . SER A 1 464 ? 133.465 32.214 44.351 1.00 33.87 ? 464 SER A C 1 ATOM 3666 O O . SER A 1 464 ? 133.841 31.252 43.682 1.00 34.84 ? 464 SER A O 1 ATOM 3667 C CB . SER A 1 464 ? 131.077 33.043 44.074 1.00 32.13 ? 464 SER A CB 1 ATOM 3668 O OG . SER A 1 464 ? 131.101 32.539 42.743 1.00 30.15 ? 464 SER A OG 1 ATOM 3669 N N . ARG A 1 465 ? 134.232 33.271 44.545 1.00 34.75 ? 465 ARG A N 1 ATOM 3670 C CA . ARG A 1 465 ? 135.604 33.289 44.014 1.00 35.59 ? 465 ARG A CA 1 ATOM 3671 C C . ARG A 1 465 ? 136.409 32.102 44.601 1.00 35.00 ? 465 ARG A C 1 ATOM 3672 O O . ARG A 1 465 ? 137.174 31.449 43.896 1.00 35.63 ? 465 ARG A O 1 ATOM 3673 C CB . ARG A 1 465 ? 136.301 34.656 44.345 1.00 35.40 ? 465 ARG A CB 1 ATOM 3674 C CG . ARG A 1 465 ? 137.714 34.818 43.751 1.00 36.63 ? 465 ARG A CG 1 ATOM 3675 C CD . ARG A 1 465 ? 137.705 35.026 42.250 1.00 38.72 ? 465 ARG A CD 1 ATOM 3676 N NE . ARG A 1 465 ? 138.987 34.715 41.610 1.00 45.03 ? 465 ARG A NE 1 ATOM 3677 C CZ . ARG A 1 465 ? 139.392 33.501 41.211 1.00 46.35 ? 465 ARG A CZ 1 ATOM 3678 N NH1 . ARG A 1 465 ? 138.640 32.382 41.395 1.00 41.43 ? 465 ARG A NH1 1 ATOM 3679 N NH2 . ARG A 1 465 ? 140.579 33.416 40.622 1.00 48.12 ? 465 ARG A NH2 1 ATOM 3680 N N . SER A 1 466 ? 136.247 31.842 45.894 1.00 34.47 ? 466 SER A N 1 ATOM 3681 C CA . SER A 1 466 ? 136.949 30.725 46.539 1.00 34.67 ? 466 SER A CA 1 ATOM 3682 C C . SER A 1 466 ? 136.495 29.354 45.984 1.00 33.65 ? 466 SER A C 1 ATOM 3683 O O . SER A 1 466 ? 137.340 28.512 45.637 1.00 34.00 ? 466 SER A O 1 ATOM 3684 C CB . SER A 1 466 ? 136.779 30.798 48.044 1.00 34.79 ? 466 SER A CB 1 ATOM 3685 O OG . SER A 1 466 ? 137.489 29.710 48.662 1.00 41.17 ? 466 SER A OG 1 ATOM 3686 N N . ILE A 1 467 ? 135.181 29.160 45.833 1.00 32.82 ? 467 ILE A N 1 ATOM 3687 C CA . ILE A 1 467 ? 134.633 27.871 45.317 1.00 31.74 ? 467 ILE A CA 1 ATOM 3688 C C . ILE A 1 467 ? 135.126 27.671 43.902 1.00 31.51 ? 467 ILE A C 1 ATOM 3689 O O . ILE A 1 467 ? 135.581 26.588 43.515 1.00 31.06 ? 467 ILE A O 1 ATOM 3690 C CB . ILE A 1 467 ? 133.054 27.873 45.369 1.00 32.54 ? 467 ILE A CB 1 ATOM 3691 C CG1 . ILE A 1 467 ? 132.569 27.747 46.822 1.00 32.47 ? 467 ILE A CG1 1 ATOM 3692 C CG2 . ILE A 1 467 ? 132.433 26.820 44.401 1.00 31.34 ? 467 ILE A CG2 1 ATOM 3693 C CD1 . ILE A 1 467 ? 131.040 28.042 47.049 1.00 26.53 ? 467 ILE A CD1 1 ATOM 3694 N N . VAL A 1 468 ? 135.053 28.747 43.112 1.00 31.39 ? 468 VAL A N 1 ATOM 3695 C CA . VAL A 1 468 ? 135.525 28.697 41.725 1.00 30.88 ? 468 VAL A CA 1 ATOM 3696 C C . VAL A 1 468 ? 136.971 28.236 41.652 1.00 29.90 ? 468 VAL A C 1 ATOM 3697 O O . VAL A 1 468 ? 137.320 27.332 40.876 1.00 30.28 ? 468 VAL A O 1 ATOM 3698 C CB . VAL A 1 468 ? 135.300 30.109 41.008 1.00 31.53 ? 468 VAL A CB 1 ATOM 3699 C CG1 . VAL A 1 468 ? 136.207 30.292 39.801 1.00 30.07 ? 468 VAL A CG1 1 ATOM 3700 C CG2 . VAL A 1 468 ? 133.808 30.272 40.613 1.00 29.00 ? 468 VAL A CG2 1 ATOM 3701 N N . LYS A 1 469 ? 137.819 28.834 42.485 1.00 30.22 ? 469 LYS A N 1 ATOM 3702 C CA . LYS A 1 469 ? 139.225 28.470 42.495 1.00 29.91 ? 469 LYS A CA 1 ATOM 3703 C C . LYS A 1 469 ? 139.406 26.996 42.941 1.00 30.36 ? 469 LYS A C 1 ATOM 3704 O O . LYS A 1 469 ? 140.151 26.225 42.342 1.00 31.26 ? 469 LYS A O 1 ATOM 3705 C CB . LYS A 1 469 ? 140.013 29.473 43.383 1.00 29.69 ? 469 LYS A CB 1 ATOM 3706 C CG . LYS A 1 469 ? 141.465 29.075 43.669 1.00 27.22 ? 469 LYS A CG 1 ATOM 3707 C CD . LYS A 1 469 ? 142.304 29.015 42.346 1.00 30.03 ? 469 LYS A CD 1 ATOM 3708 C CE . LYS A 1 469 ? 142.558 30.414 41.761 1.00 32.60 ? 469 LYS A CE 1 ATOM 3709 N NZ . LYS A 1 469 ? 143.254 30.242 40.425 1.00 32.18 ? 469 LYS A NZ 1 ATOM 3710 N N . ARG A 1 470 ? 138.699 26.597 43.989 1.00 30.71 ? 470 ARG A N 1 ATOM 3711 C CA . ARG A 1 470 ? 138.809 25.209 44.481 1.00 30.52 ? 470 ARG A CA 1 ATOM 3712 C C . ARG A 1 470 ? 138.372 24.178 43.407 1.00 30.96 ? 470 ARG A C 1 ATOM 3713 O O . ARG A 1 470 ? 139.029 23.150 43.216 1.00 29.86 ? 470 ARG A O 1 ATOM 3714 C CB . ARG A 1 470 ? 137.943 25.066 45.709 1.00 30.32 ? 470 ARG A CB 1 ATOM 3715 C CG . ARG A 1 470 ? 138.527 25.707 46.968 1.00 28.62 ? 470 ARG A CG 1 ATOM 3716 C CD . ARG A 1 470 ? 137.681 25.371 48.152 1.00 30.12 ? 470 ARG A CD 1 ATOM 3717 N NE . ARG A 1 470 ? 138.011 26.048 49.421 1.00 29.53 ? 470 ARG A NE 1 ATOM 3718 C CZ . ARG A 1 470 ? 138.993 25.717 50.287 1.00 31.70 ? 470 ARG A CZ 1 ATOM 3719 N NH1 . ARG A 1 470 ? 139.154 26.421 51.410 1.00 33.23 ? 470 ARG A NH1 1 ATOM 3720 N NH2 . ARG A 1 470 ? 139.821 24.717 50.064 1.00 31.51 ? 470 ARG A NH2 1 ATOM 3721 N N . TRP A 1 471 ? 137.281 24.500 42.685 1.00 29.76 ? 471 TRP A N 1 ATOM 3722 C CA . TRP A 1 471 ? 136.755 23.614 41.655 1.00 29.30 ? 471 TRP A CA 1 ATOM 3723 C C . TRP A 1 471 ? 137.755 23.524 40.547 1.00 28.78 ? 471 TRP A C 1 ATOM 3724 O O . TRP A 1 471 ? 138.003 22.453 40.037 1.00 28.39 ? 471 TRP A O 1 ATOM 3725 C CB . TRP A 1 471 ? 135.373 24.110 41.170 1.00 28.08 ? 471 TRP A CB 1 ATOM 3726 C CG . TRP A 1 471 ? 134.082 23.400 41.826 1.00 26.41 ? 471 TRP A CG 1 ATOM 3727 C CD1 . TRP A 1 471 ? 133.009 22.839 41.136 1.00 26.91 ? 471 TRP A CD1 1 ATOM 3728 C CD2 . TRP A 1 471 ? 133.760 23.245 43.230 1.00 29.55 ? 471 TRP A CD2 1 ATOM 3729 N NE1 . TRP A 1 471 ? 132.079 22.331 42.020 1.00 28.85 ? 471 TRP A NE1 1 ATOM 3730 C CE2 . TRP A 1 471 ? 132.495 22.576 43.307 1.00 29.11 ? 471 TRP A CE2 1 ATOM 3731 C CE3 . TRP A 1 471 ? 134.377 23.651 44.428 1.00 27.53 ? 471 TRP A CE3 1 ATOM 3732 C CZ2 . TRP A 1 471 ? 131.877 22.280 44.521 1.00 31.23 ? 471 TRP A CZ2 1 ATOM 3733 C CZ3 . TRP A 1 471 ? 133.761 23.348 45.653 1.00 29.75 ? 471 TRP A CZ3 1 ATOM 3734 C CH2 . TRP A 1 471 ? 132.526 22.673 45.694 1.00 29.64 ? 471 TRP A CH2 1 ATOM 3735 N N . ALA A 1 472 ? 138.351 24.666 40.185 1.00 29.53 ? 472 ALA A N 1 ATOM 3736 C CA . ALA A 1 472 ? 139.347 24.735 39.102 1.00 31.82 ? 472 ALA A CA 1 ATOM 3737 C C . ALA A 1 472 ? 140.627 24.002 39.444 1.00 31.78 ? 472 ALA A C 1 ATOM 3738 O O . ALA A 1 472 ? 141.140 23.218 38.652 1.00 33.96 ? 472 ALA A O 1 ATOM 3739 C CB . ALA A 1 472 ? 139.681 26.212 38.766 1.00 32.67 ? 472 ALA A CB 1 ATOM 3740 N N . ASN A 1 473 ? 141.130 24.240 40.633 1.00 31.97 ? 473 ASN A N 1 ATOM 3741 C CA . ASN A 1 473 ? 142.255 23.427 41.135 1.00 31.44 ? 473 ASN A CA 1 ATOM 3742 C C . ASN A 1 473 ? 141.993 21.963 41.217 1.00 30.76 ? 473 ASN A C 1 ATOM 3743 O O . ASN A 1 473 ? 142.915 21.173 40.954 1.00 31.42 ? 473 ASN A O 1 ATOM 3744 C CB . ASN A 1 473 ? 142.768 23.916 42.485 1.00 31.46 ? 473 ASN A CB 1 ATOM 3745 C CG . ASN A 1 473 ? 143.614 25.199 42.363 1.00 34.71 ? 473 ASN A CG 1 ATOM 3746 O OD1 . ASN A 1 473 ? 143.954 25.641 41.255 1.00 36.04 ? 473 ASN A OD1 1 ATOM 3747 N ND2 . ASN A 1 473 ? 143.886 25.836 43.508 1.00 33.45 ? 473 ASN A ND2 1 ATOM 3748 N N . PHE A 1 474 ? 140.760 21.563 41.581 1.00 30.48 ? 474 PHE A N 1 ATOM 3749 C CA . PHE A 1 474 ? 140.450 20.152 41.543 1.00 29.96 ? 474 PHE A CA 1 ATOM 3750 C C . PHE A 1 474 ? 140.579 19.634 40.124 1.00 30.20 ? 474 PHE A C 1 ATOM 3751 O O . PHE A 1 474 ? 141.168 18.565 39.882 1.00 31.10 ? 474 PHE A O 1 ATOM 3752 C CB . PHE A 1 474 ? 139.036 19.839 42.059 1.00 29.63 ? 474 PHE A CB 1 ATOM 3753 C CG . PHE A 1 474 ? 138.704 18.355 42.023 1.00 29.67 ? 474 PHE A CG 1 ATOM 3754 C CD1 . PHE A 1 474 ? 139.299 17.469 42.955 1.00 28.24 ? 474 PHE A CD1 1 ATOM 3755 C CD2 . PHE A 1 474 ? 137.831 17.850 41.073 1.00 29.16 ? 474 PHE A CD2 1 ATOM 3756 C CE1 . PHE A 1 474 ? 139.009 16.132 42.932 1.00 27.80 ? 474 PHE A CE1 1 ATOM 3757 C CE2 . PHE A 1 474 ? 137.541 16.495 41.044 1.00 29.32 ? 474 PHE A CE2 1 ATOM 3758 C CZ . PHE A 1 474 ? 138.158 15.635 41.975 1.00 26.91 ? 474 PHE A CZ 1 ATOM 3759 N N . ALA A 1 475 ? 139.953 20.340 39.185 1.00 29.66 ? 475 ALA A N 1 ATOM 3760 C CA . ALA A 1 475 ? 139.989 19.914 37.789 1.00 29.46 ? 475 ALA A CA 1 ATOM 3761 C C . ALA A 1 475 ? 141.434 19.828 37.248 1.00 29.76 ? 475 ALA A C 1 ATOM 3762 O O . ALA A 1 475 ? 141.836 18.830 36.637 1.00 31.15 ? 475 ALA A O 1 ATOM 3763 C CB . ALA A 1 475 ? 139.177 20.862 36.942 1.00 28.04 ? 475 ALA A CB 1 ATOM 3764 N N . LYS A 1 476 ? 142.198 20.877 37.447 1.00 29.96 ? 476 LYS A N 1 ATOM 3765 C CA . LYS A 1 476 ? 143.549 20.915 36.866 1.00 31.89 ? 476 LYS A CA 1 ATOM 3766 C C . LYS A 1 476 ? 144.496 19.984 37.616 1.00 31.74 ? 476 LYS A C 1 ATOM 3767 O O . LYS A 1 476 ? 145.307 19.369 36.973 1.00 32.10 ? 476 LYS A O 1 ATOM 3768 C CB . LYS A 1 476 ? 144.147 22.326 36.894 1.00 30.34 ? 476 LYS A CB 1 ATOM 3769 C CG . LYS A 1 476 ? 143.278 23.425 36.300 1.00 33.90 ? 476 LYS A CG 1 ATOM 3770 C CD . LYS A 1 476 ? 143.898 24.795 36.509 1.00 33.69 ? 476 LYS A CD 1 ATOM 3771 C CE . LYS A 1 476 ? 143.364 25.731 35.429 1.00 40.07 ? 476 LYS A CE 1 ATOM 3772 N NZ . LYS A 1 476 ? 143.037 27.081 36.020 1.00 44.95 ? 476 LYS A NZ 1 ATOM 3773 N N . TYR A 1 477 ? 144.367 19.891 38.952 1.00 31.98 ? 477 TYR A N 1 ATOM 3774 C CA . TYR A 1 477 ? 145.408 19.280 39.812 1.00 33.29 ? 477 TYR A CA 1 ATOM 3775 C C . TYR A 1 477 ? 144.968 18.176 40.764 1.00 33.55 ? 477 TYR A C 1 ATOM 3776 O O . TYR A 1 477 ? 145.825 17.605 41.440 1.00 33.56 ? 477 TYR A O 1 ATOM 3777 C CB . TYR A 1 477 ? 146.078 20.364 40.702 1.00 32.58 ? 477 TYR A CB 1 ATOM 3778 C CG . TYR A 1 477 ? 146.449 21.593 39.929 1.00 33.83 ? 477 TYR A CG 1 ATOM 3779 C CD1 . TYR A 1 477 ? 146.053 22.878 40.344 1.00 34.80 ? 477 TYR A CD1 1 ATOM 3780 C CD2 . TYR A 1 477 ? 147.174 21.475 38.756 1.00 32.13 ? 477 TYR A CD2 1 ATOM 3781 C CE1 . TYR A 1 477 ? 146.421 24.015 39.577 1.00 29.40 ? 477 TYR A CE1 1 ATOM 3782 C CE2 . TYR A 1 477 ? 147.514 22.590 38.013 1.00 34.71 ? 477 TYR A CE2 1 ATOM 3783 C CZ . TYR A 1 477 ? 147.148 23.826 38.404 1.00 34.19 ? 477 TYR A CZ 1 ATOM 3784 O OH . TYR A 1 477 ? 147.550 24.866 37.583 1.00 33.07 ? 477 TYR A OH 1 ATOM 3785 N N . GLY A 1 478 ? 143.660 17.913 40.847 1.00 32.37 ? 478 GLY A N 1 ATOM 3786 C CA . GLY A 1 478 ? 143.140 16.829 41.656 1.00 30.92 ? 478 GLY A CA 1 ATOM 3787 C C . GLY A 1 478 ? 143.059 17.215 43.110 1.00 32.11 ? 478 GLY A C 1 ATOM 3788 O O . GLY A 1 478 ? 142.876 16.359 43.988 1.00 31.69 ? 478 GLY A O 1 ATOM 3789 N N . ASN A 1 479 ? 143.130 18.500 43.389 1.00 31.54 ? 479 ASN A N 1 ATOM 3790 C CA . ASN A 1 479 ? 143.211 18.902 44.769 1.00 33.91 ? 479 ASN A CA 1 ATOM 3791 C C . ASN A 1 479 ? 142.522 20.231 44.977 1.00 33.38 ? 479 ASN A C 1 ATOM 3792 O O . ASN A 1 479 ? 143.037 21.233 44.531 1.00 33.90 ? 479 ASN A O 1 ATOM 3793 C CB . ASN A 1 479 ? 144.698 19.007 45.155 1.00 34.81 ? 479 ASN A CB 1 ATOM 3794 C CG . ASN A 1 479 ? 144.945 18.779 46.630 1.00 36.81 ? 479 ASN A CG 1 ATOM 3795 O OD1 . ASN A 1 479 ? 144.062 18.940 47.448 1.00 38.37 ? 479 ASN A OD1 1 ATOM 3796 N ND2 . ASN A 1 479 ? 146.178 18.422 46.966 1.00 40.90 ? 479 ASN A ND2 1 ATOM 3797 N N . PRO A 1 480 ? 141.344 20.241 45.620 1.00 33.00 ? 480 PRO A N 1 ATOM 3798 C CA . PRO A 1 480 ? 140.491 21.447 45.638 1.00 32.07 ? 480 PRO A CA 1 ATOM 3799 C C . PRO A 1 480 ? 140.911 22.453 46.713 1.00 32.64 ? 480 PRO A C 1 ATOM 3800 O O . PRO A 1 480 ? 140.100 22.869 47.559 1.00 32.53 ? 480 PRO A O 1 ATOM 3801 C CB . PRO A 1 480 ? 139.101 20.893 45.981 1.00 32.43 ? 480 PRO A CB 1 ATOM 3802 C CG . PRO A 1 480 ? 139.427 19.683 46.973 1.00 30.29 ? 480 PRO A CG 1 ATOM 3803 C CD . PRO A 1 480 ? 140.717 19.097 46.325 1.00 33.01 ? 480 PRO A CD 1 ATOM 3804 N N . GLN A 1 481 ? 142.167 22.855 46.674 1.00 33.36 ? 481 GLN A N 1 ATOM 3805 C CA . GLN A 1 481 ? 142.707 23.807 47.637 1.00 33.22 ? 481 GLN A CA 1 ATOM 3806 C C . GLN A 1 481 ? 142.575 25.185 47.067 1.00 33.91 ? 481 GLN A C 1 ATOM 3807 O O . GLN A 1 481 ? 142.540 25.352 45.839 1.00 33.77 ? 481 GLN A O 1 ATOM 3808 C CB . GLN A 1 481 ? 144.207 23.508 47.965 1.00 32.68 ? 481 GLN A CB 1 ATOM 3809 C CG . GLN A 1 481 ? 144.493 22.044 48.406 1.00 32.88 ? 481 GLN A CG 1 ATOM 3810 C CD . GLN A 1 481 ? 143.611 21.581 49.591 1.00 33.68 ? 481 GLN A CD 1 ATOM 3811 O OE1 . GLN A 1 481 ? 143.205 22.404 50.401 1.00 31.47 ? 481 GLN A OE1 1 ATOM 3812 N NE2 . GLN A 1 481 ? 143.345 20.263 49.691 1.00 30.94 ? 481 GLN A NE2 1 ATOM 3813 N N . GLU A 1 482 ? 142.472 26.160 47.971 1.00 34.03 ? 482 GLU A N 1 ATOM 3814 C CA . GLU A 1 482 ? 142.739 27.548 47.664 1.00 37.00 ? 482 GLU A CA 1 ATOM 3815 C C . GLU A 1 482 ? 144.045 27.880 48.394 1.00 37.83 ? 482 GLU A C 1 ATOM 3816 O O . GLU A 1 482 ? 144.068 27.960 49.621 1.00 38.26 ? 482 GLU A O 1 ATOM 3817 C CB . GLU A 1 482 ? 141.573 28.452 48.089 1.00 36.20 ? 482 GLU A CB 1 ATOM 3818 C CG . GLU A 1 482 ? 141.593 29.851 47.442 1.00 40.88 ? 482 GLU A CG 1 ATOM 3819 C CD . GLU A 1 482 ? 142.732 30.717 47.985 1.00 42.08 ? 482 GLU A CD 1 ATOM 3820 O OE1 . GLU A 1 482 ? 143.581 31.211 47.229 1.00 42.08 ? 482 GLU A OE1 1 ATOM 3821 O OE2 . GLU A 1 482 ? 142.811 30.868 49.207 1.00 50.33 ? 482 GLU A OE2 1 ATOM 3822 N N . THR A 1 483 ? 145.141 27.995 47.642 1.00 38.69 ? 483 THR A N 1 ATOM 3823 C CA . THR A 1 483 ? 146.478 28.000 48.251 1.00 40.54 ? 483 THR A CA 1 ATOM 3824 C C . THR A 1 483 ? 147.025 29.412 48.682 1.00 42.29 ? 483 THR A C 1 ATOM 3825 O O . THR A 1 483 ? 147.994 29.485 49.451 1.00 40.75 ? 483 THR A O 1 ATOM 3826 C CB . THR A 1 483 ? 147.509 27.309 47.304 1.00 40.12 ? 483 THR A CB 1 ATOM 3827 O OG1 . THR A 1 483 ? 147.561 28.019 46.060 1.00 39.67 ? 483 THR A OG1 1 ATOM 3828 C CG2 . THR A 1 483 ? 147.046 25.918 46.900 1.00 40.21 ? 483 THR A CG2 1 ATOM 3829 N N . GLN A 1 484 ? 146.416 30.492 48.165 1.00 43.84 ? 484 GLN A N 1 ATOM 3830 C CA . GLN A 1 484 ? 146.974 31.854 48.259 1.00 46.24 ? 484 GLN A CA 1 ATOM 3831 C C . GLN A 1 484 ? 146.453 32.722 49.407 1.00 47.79 ? 484 GLN A C 1 ATOM 3832 O O . GLN A 1 484 ? 147.180 33.600 49.905 1.00 47.57 ? 484 GLN A O 1 ATOM 3833 C CB . GLN A 1 484 ? 146.785 32.597 46.934 1.00 45.29 ? 484 GLN A CB 1 ATOM 3834 C CG . GLN A 1 484 ? 147.470 31.873 45.806 1.00 48.59 ? 484 GLN A CG 1 ATOM 3835 C CD . GLN A 1 484 ? 147.325 32.513 44.441 1.00 51.96 ? 484 GLN A CD 1 ATOM 3836 O OE1 . GLN A 1 484 ? 146.204 32.841 43.978 1.00 55.07 ? 484 GLN A OE1 1 ATOM 3837 N NE2 . GLN A 1 484 ? 148.457 32.654 43.760 1.00 51.26 ? 484 GLN A NE2 1 ATOM 3838 N N . ASN A 1 485 ? 145.215 32.493 49.836 1.00 49.69 ? 485 ASN A N 1 ATOM 3839 C CA . ASN A 1 485 ? 144.594 33.421 50.796 1.00 51.50 ? 485 ASN A CA 1 ATOM 3840 C C . ASN A 1 485 ? 144.405 32.925 52.226 1.00 52.20 ? 485 ASN A C 1 ATOM 3841 O O . ASN A 1 485 ? 143.345 33.143 52.845 1.00 53.48 ? 485 ASN A O 1 ATOM 3842 C CB . ASN A 1 485 ? 143.280 33.992 50.230 1.00 51.90 ? 485 ASN A CB 1 ATOM 3843 C CG . ASN A 1 485 ? 143.497 34.917 49.016 1.00 54.75 ? 485 ASN A CG 1 ATOM 3844 O OD1 . ASN A 1 485 ? 144.620 35.313 48.709 1.00 56.49 ? 485 ASN A OD1 1 ATOM 3845 N ND2 . ASN A 1 485 ? 142.396 35.253 48.322 1.00 60.76 ? 485 ASN A ND2 1 ATOM 3846 N N . GLN A 1 486 ? 145.439 32.291 52.773 1.00 52.51 ? 486 GLN A N 1 ATOM 3847 C CA . GLN A 1 486 ? 145.373 31.706 54.116 1.00 51.87 ? 486 GLN A CA 1 ATOM 3848 C C . GLN A 1 486 ? 144.002 31.026 54.350 1.00 51.95 ? 486 GLN A C 1 ATOM 3849 O O . GLN A 1 486 ? 143.274 31.356 55.315 1.00 52.36 ? 486 GLN A O 1 ATOM 3850 C CB . GLN A 1 486 ? 145.663 32.761 55.203 0.50 52.17 ? 486 GLN A CB 1 ATOM 3851 C CG . GLN A 1 486 ? 146.852 33.689 54.902 0.50 51.75 ? 486 GLN A CG 1 ATOM 3852 C CD . GLN A 1 486 ? 146.639 35.089 55.439 0.10 50.07 ? 486 GLN A CD 1 ATOM 3853 O OE1 . GLN A 1 486 ? 146.644 36.056 54.679 0.10 49.82 ? 486 GLN A OE1 1 ATOM 3854 N NE2 . GLN A 1 486 ? 146.439 35.201 56.746 0.50 48.38 ? 486 GLN A NE2 1 ATOM 3855 N N . SER A 1 487 ? 143.651 30.106 53.450 1.00 50.21 ? 487 SER A N 1 ATOM 3856 C CA . SER A 1 487 ? 142.386 29.378 53.516 1.00 49.34 ? 487 SER A CA 1 ATOM 3857 C C . SER A 1 487 ? 142.503 28.071 54.274 1.00 48.41 ? 487 SER A C 1 ATOM 3858 O O . SER A 1 487 ? 143.597 27.493 54.364 1.00 48.83 ? 487 SER A O 1 ATOM 3859 C CB . SER A 1 487 ? 141.886 29.060 52.105 1.00 49.49 ? 487 SER A CB 1 ATOM 3860 O OG . SER A 1 487 ? 141.594 30.256 51.420 1.00 50.10 ? 487 SER A OG 1 ATOM 3861 N N . THR A 1 488 ? 141.374 27.599 54.807 1.00 46.81 ? 488 THR A N 1 ATOM 3862 C CA . THR A 1 488 ? 141.323 26.271 55.401 1.00 44.69 ? 488 THR A CA 1 ATOM 3863 C C . THR A 1 488 ? 141.721 25.271 54.331 1.00 44.13 ? 488 THR A C 1 ATOM 3864 O O . THR A 1 488 ? 141.252 25.341 53.175 1.00 43.97 ? 488 THR A O 1 ATOM 3865 C CB . THR A 1 488 ? 139.905 25.935 55.865 1.00 44.89 ? 488 THR A CB 1 ATOM 3866 O OG1 . THR A 1 488 ? 139.402 26.995 56.683 1.00 44.81 ? 488 THR A OG1 1 ATOM 3867 C CG2 . THR A 1 488 ? 139.925 24.750 56.811 1.00 44.51 ? 488 THR A CG2 1 ATOM 3868 N N . SER A 1 489 ? 142.598 24.361 54.713 1.00 42.51 ? 489 SER A N 1 ATOM 3869 C CA . SER A 1 489 ? 143.002 23.276 53.863 1.00 42.71 ? 489 SER A CA 1 ATOM 3870 C C . SER A 1 489 ? 141.850 22.225 53.862 1.00 41.33 ? 489 SER A C 1 ATOM 3871 O O . SER A 1 489 ? 141.204 21.985 54.892 1.00 41.13 ? 489 SER A O 1 ATOM 3872 C CB . SER A 1 489 ? 144.297 22.709 54.409 1.00 43.48 ? 489 SER A CB 1 ATOM 3873 O OG . SER A 1 489 ? 144.581 21.488 53.782 1.00 48.22 ? 489 SER A OG 1 ATOM 3874 N N . TRP A 1 490 ? 141.536 21.686 52.684 1.00 37.63 ? 490 TRP A N 1 ATOM 3875 C CA . TRP A 1 490 ? 140.449 20.724 52.546 1.00 34.27 ? 490 TRP A CA 1 ATOM 3876 C C . TRP A 1 490 ? 141.073 19.326 52.656 1.00 32.89 ? 490 TRP A C 1 ATOM 3877 O O . TRP A 1 490 ? 141.838 18.921 51.795 1.00 31.34 ? 490 TRP A O 1 ATOM 3878 C CB . TRP A 1 490 ? 139.773 20.935 51.178 1.00 33.60 ? 490 TRP A CB 1 ATOM 3879 C CG . TRP A 1 490 ? 138.462 20.221 50.960 1.00 33.33 ? 490 TRP A CG 1 ATOM 3880 C CD1 . TRP A 1 490 ? 137.981 19.112 51.625 1.00 30.00 ? 490 TRP A CD1 1 ATOM 3881 C CD2 . TRP A 1 490 ? 137.469 20.565 49.988 1.00 30.66 ? 490 TRP A CD2 1 ATOM 3882 N NE1 . TRP A 1 490 ? 136.745 18.764 51.129 1.00 31.26 ? 490 TRP A NE1 1 ATOM 3883 C CE2 . TRP A 1 490 ? 136.400 19.638 50.128 1.00 30.25 ? 490 TRP A CE2 1 ATOM 3884 C CE3 . TRP A 1 490 ? 137.349 21.599 49.026 1.00 30.81 ? 490 TRP A CE3 1 ATOM 3885 C CZ2 . TRP A 1 490 ? 135.238 19.677 49.299 1.00 27.94 ? 490 TRP A CZ2 1 ATOM 3886 C CZ3 . TRP A 1 490 ? 136.189 21.628 48.185 1.00 28.48 ? 490 TRP A CZ3 1 ATOM 3887 C CH2 . TRP A 1 490 ? 135.171 20.668 48.330 1.00 30.15 ? 490 TRP A CH2 1 ATOM 3888 N N . PRO A 1 491 ? 140.794 18.594 53.733 1.00 32.79 ? 491 PRO A N 1 ATOM 3889 C CA . PRO A 1 491 ? 141.399 17.296 53.931 1.00 32.81 ? 491 PRO A CA 1 ATOM 3890 C C . PRO A 1 491 ? 140.704 16.273 53.067 1.00 33.23 ? 491 PRO A C 1 ATOM 3891 O O . PRO A 1 491 ? 139.518 16.415 52.752 1.00 32.30 ? 491 PRO A O 1 ATOM 3892 C CB . PRO A 1 491 ? 141.057 16.985 55.373 1.00 33.13 ? 491 PRO A CB 1 ATOM 3893 C CG . PRO A 1 491 ? 139.770 17.592 55.548 1.00 32.43 ? 491 PRO A CG 1 ATOM 3894 C CD . PRO A 1 491 ? 139.927 18.949 54.868 1.00 34.00 ? 491 PRO A CD 1 ATOM 3895 N N . VAL A 1 492 ? 141.442 15.252 52.699 1.00 31.74 ? 492 VAL A N 1 ATOM 3896 C CA . VAL A 1 492 ? 140.847 14.089 52.091 1.00 33.23 ? 492 VAL A CA 1 ATOM 3897 C C . VAL A 1 492 ? 139.803 13.451 53.036 1.00 33.56 ? 492 VAL A C 1 ATOM 3898 O O . VAL A 1 492 ? 139.968 13.399 54.284 1.00 32.58 ? 492 VAL A O 1 ATOM 3899 C CB . VAL A 1 492 ? 141.958 13.111 51.696 1.00 32.48 ? 492 VAL A CB 1 ATOM 3900 C CG1 . VAL A 1 492 ? 141.430 11.786 51.438 1.00 37.47 ? 492 VAL A CG1 1 ATOM 3901 C CG2 . VAL A 1 492 ? 142.711 13.651 50.431 1.00 35.50 ? 492 VAL A CG2 1 ATOM 3902 N N . PHE A 1 493 ? 138.734 12.962 52.426 1.00 33.42 ? 493 PHE A N 1 ATOM 3903 C CA . PHE A 1 493 ? 137.710 12.165 53.116 1.00 34.05 ? 493 PHE A CA 1 ATOM 3904 C C . PHE A 1 493 ? 138.145 10.699 53.050 1.00 36.02 ? 493 PHE A C 1 ATOM 3905 O O . PHE A 1 493 ? 138.367 10.168 51.964 1.00 35.07 ? 493 PHE A O 1 ATOM 3906 C CB . PHE A 1 493 ? 136.383 12.327 52.377 1.00 32.40 ? 493 PHE A CB 1 ATOM 3907 C CG . PHE A 1 493 ? 135.221 11.598 52.988 1.00 31.85 ? 493 PHE A CG 1 ATOM 3908 C CD1 . PHE A 1 493 ? 135.037 10.242 52.748 1.00 32.77 ? 493 PHE A CD1 1 ATOM 3909 C CD2 . PHE A 1 493 ? 134.244 12.301 53.702 1.00 27.70 ? 493 PHE A CD2 1 ATOM 3910 C CE1 . PHE A 1 493 ? 133.926 9.562 53.267 1.00 32.34 ? 493 PHE A CE1 1 ATOM 3911 C CE2 . PHE A 1 493 ? 133.106 11.633 54.213 1.00 31.95 ? 493 PHE A CE2 1 ATOM 3912 C CZ . PHE A 1 493 ? 132.965 10.256 53.998 1.00 31.40 ? 493 PHE A CZ 1 ATOM 3913 N N . LYS A 1 494 ? 138.259 10.064 54.213 1.00 38.00 ? 494 LYS A N 1 ATOM 3914 C CA . LYS A 1 494 ? 138.626 8.645 54.321 1.00 41.36 ? 494 LYS A CA 1 ATOM 3915 C C . LYS A 1 494 ? 137.524 7.978 55.140 1.00 41.28 ? 494 LYS A C 1 ATOM 3916 O O . LYS A 1 494 ? 136.896 8.657 55.944 1.00 40.06 ? 494 LYS A O 1 ATOM 3917 C CB . LYS A 1 494 ? 139.989 8.538 55.031 1.00 42.96 ? 494 LYS A CB 1 ATOM 3918 C CG . LYS A 1 494 ? 141.195 8.857 54.137 1.00 47.05 ? 494 LYS A CG 1 ATOM 3919 C CD . LYS A 1 494 ? 142.342 9.456 54.974 1.00 55.38 ? 494 LYS A CD 1 ATOM 3920 C CE . LYS A 1 494 ? 143.599 9.761 54.129 1.00 57.00 ? 494 LYS A CE 1 ATOM 3921 N NZ . LYS A 1 494 ? 144.382 10.964 54.668 1.00 59.72 ? 494 LYS A NZ 1 ATOM 3922 N N . SER A 1 495 ? 137.262 6.681 54.953 1.00 42.25 ? 495 SER A N 1 ATOM 3923 C CA . SER A 1 495 ? 136.073 6.044 55.599 1.00 44.68 ? 495 SER A CA 1 ATOM 3924 C C . SER A 1 495 ? 136.137 5.969 57.125 1.00 44.38 ? 495 SER A C 1 ATOM 3925 O O . SER A 1 495 ? 135.102 5.835 57.797 1.00 44.59 ? 495 SER A O 1 ATOM 3926 C CB . SER A 1 495 ? 135.771 4.651 55.038 1.00 45.71 ? 495 SER A CB 1 ATOM 3927 O OG . SER A 1 495 ? 136.938 3.844 55.219 1.00 50.58 ? 495 SER A OG 1 ATOM 3928 N N . THR A 1 496 ? 137.334 6.110 57.676 1.00 44.71 ? 496 THR A N 1 ATOM 3929 C CA . THR A 1 496 ? 137.469 6.158 59.119 1.00 46.11 ? 496 THR A CA 1 ATOM 3930 C C . THR A 1 496 ? 137.115 7.540 59.691 1.00 43.98 ? 496 THR A C 1 ATOM 3931 O O . THR A 1 496 ? 136.142 7.676 60.419 1.00 43.59 ? 496 THR A O 1 ATOM 3932 C CB . THR A 1 496 ? 138.903 5.680 59.547 1.00 47.21 ? 496 THR A CB 1 ATOM 3933 O OG1 . THR A 1 496 ? 139.855 6.102 58.542 1.00 52.12 ? 496 THR A OG1 1 ATOM 3934 C CG2 . THR A 1 496 ? 138.967 4.148 59.447 1.00 49.07 ? 496 THR A CG2 1 ATOM 3935 N N . GLU A 1 497 ? 137.865 8.568 59.320 1.00 42.51 ? 497 GLU A N 1 ATOM 3936 C CA . GLU A 1 497 ? 137.642 9.879 59.905 1.00 41.70 ? 497 GLU A CA 1 ATOM 3937 C C . GLU A 1 497 ? 136.487 10.672 59.294 1.00 39.22 ? 497 GLU A C 1 ATOM 3938 O O . GLU A 1 497 ? 135.834 11.439 60.005 1.00 37.09 ? 497 GLU A O 1 ATOM 3939 C CB . GLU A 1 497 ? 138.926 10.678 59.928 1.00 42.20 ? 497 GLU A CB 1 ATOM 3940 C CG . GLU A 1 497 ? 139.852 10.120 61.004 1.00 49.45 ? 497 GLU A CG 1 ATOM 3941 C CD . GLU A 1 497 ? 141.313 10.394 60.747 1.00 57.88 ? 497 GLU A CD 1 ATOM 3942 O OE1 . GLU A 1 497 ? 141.672 11.532 60.379 1.00 62.96 ? 497 GLU A OE1 1 ATOM 3943 O OE2 . GLU A 1 497 ? 142.115 9.451 60.920 1.00 64.34 ? 497 GLU A OE2 1 ATOM 3944 N N . GLN A 1 498 ? 136.259 10.474 57.996 1.00 35.75 ? 498 GLN A N 1 ATOM 3945 C CA . GLN A 1 498 ? 135.127 11.106 57.312 1.00 34.44 ? 498 GLN A CA 1 ATOM 3946 C C . GLN A 1 498 ? 135.119 12.633 57.548 1.00 32.76 ? 498 GLN A C 1 ATOM 3947 O O . GLN A 1 498 ? 134.092 13.226 57.882 1.00 32.79 ? 498 GLN A O 1 ATOM 3948 C CB . GLN A 1 498 ? 133.821 10.465 57.795 1.00 35.72 ? 498 GLN A CB 1 ATOM 3949 C CG . GLN A 1 498 ? 133.730 8.965 57.603 1.00 36.86 ? 498 GLN A CG 1 ATOM 3950 C CD . GLN A 1 498 ? 132.637 8.331 58.476 1.00 41.06 ? 498 GLN A CD 1 ATOM 3951 O OE1 . GLN A 1 498 ? 131.500 8.773 58.480 1.00 37.22 ? 498 GLN A OE1 1 ATOM 3952 N NE2 . GLN A 1 498 ? 133.010 7.300 59.238 1.00 47.22 ? 498 GLN A NE2 1 ATOM 3953 N N . LYS A 1 499 ? 136.280 13.262 57.360 1.00 30.86 ? 499 LYS A N 1 ATOM 3954 C CA . LYS A 1 499 ? 136.423 14.725 57.391 1.00 30.57 ? 499 LYS A CA 1 ATOM 3955 C C . LYS A 1 499 ? 135.766 15.353 56.162 1.00 29.46 ? 499 LYS A C 1 ATOM 3956 O O . LYS A 1 499 ? 135.887 14.810 55.069 1.00 29.12 ? 499 LYS A O 1 ATOM 3957 C CB . LYS A 1 499 ? 137.904 15.119 57.422 1.00 29.91 ? 499 LYS A CB 1 ATOM 3958 C CG . LYS A 1 499 ? 138.624 14.663 58.713 1.00 31.67 ? 499 LYS A CG 1 ATOM 3959 C CD . LYS A 1 499 ? 140.066 15.178 58.795 1.00 31.66 ? 499 LYS A CD 1 ATOM 3960 C CE . LYS A 1 499 ? 140.830 14.434 59.954 1.00 33.69 ? 499 LYS A CE 1 ATOM 3961 N NZ . LYS A 1 499 ? 142.139 15.089 60.080 1.00 33.68 ? 499 LYS A NZ 1 ATOM 3962 N N . TYR A 1 500 ? 135.062 16.460 56.376 1.00 29.59 ? 500 TYR A N 1 ATOM 3963 C CA . TYR A 1 500 ? 134.476 17.266 55.277 1.00 30.49 ? 500 TYR A CA 1 ATOM 3964 C C . TYR A 1 500 ? 134.685 18.739 55.562 1.00 30.89 ? 500 TYR A C 1 ATOM 3965 O O . TYR A 1 500 ? 134.867 19.147 56.731 1.00 32.11 ? 500 TYR A O 1 ATOM 3966 C CB . TYR A 1 500 ? 132.980 16.973 55.083 1.00 28.34 ? 500 TYR A CB 1 ATOM 3967 C CG . TYR A 1 500 ? 132.072 17.318 56.290 1.00 29.11 ? 500 TYR A CG 1 ATOM 3968 C CD1 . TYR A 1 500 ? 131.940 16.440 57.383 1.00 24.71 ? 500 TYR A CD1 1 ATOM 3969 C CD2 . TYR A 1 500 ? 131.322 18.506 56.313 1.00 24.24 ? 500 TYR A CD2 1 ATOM 3970 C CE1 . TYR A 1 500 ? 131.083 16.749 58.493 1.00 27.28 ? 500 TYR A CE1 1 ATOM 3971 C CE2 . TYR A 1 500 ? 130.496 18.835 57.409 1.00 26.28 ? 500 TYR A CE2 1 ATOM 3972 C CZ . TYR A 1 500 ? 130.364 17.923 58.482 1.00 27.46 ? 500 TYR A CZ 1 ATOM 3973 O OH . TYR A 1 500 ? 129.579 18.261 59.544 1.00 28.39 ? 500 TYR A OH 1 ATOM 3974 N N . LEU A 1 501 ? 134.567 19.535 54.514 1.00 30.67 ? 501 LEU A N 1 ATOM 3975 C CA . LEU A 1 501 ? 134.719 20.986 54.597 1.00 32.09 ? 501 LEU A CA 1 ATOM 3976 C C . LEU A 1 501 ? 133.341 21.679 54.451 1.00 32.00 ? 501 LEU A C 1 ATOM 3977 O O . LEU A 1 501 ? 132.568 21.353 53.538 1.00 31.66 ? 501 LEU A O 1 ATOM 3978 C CB . LEU A 1 501 ? 135.661 21.447 53.470 1.00 31.17 ? 501 LEU A CB 1 ATOM 3979 C CG . LEU A 1 501 ? 135.966 22.945 53.392 1.00 34.77 ? 501 LEU A CG 1 ATOM 3980 C CD1 . LEU A 1 501 ? 136.824 23.377 54.577 1.00 30.46 ? 501 LEU A CD1 1 ATOM 3981 C CD2 . LEU A 1 501 ? 136.625 23.334 52.085 1.00 33.26 ? 501 LEU A CD2 1 ATOM 3982 N N . THR A 1 502 ? 133.048 22.618 55.336 1.00 31.51 ? 502 THR A N 1 ATOM 3983 C CA . THR A 1 502 ? 131.846 23.425 55.233 1.00 32.82 ? 502 THR A CA 1 ATOM 3984 C C . THR A 1 502 ? 132.114 24.698 54.407 1.00 33.27 ? 502 THR A C 1 ATOM 3985 O O . THR A 1 502 ? 133.191 25.305 54.501 1.00 34.57 ? 502 THR A O 1 ATOM 3986 C CB . THR A 1 502 ? 131.245 23.761 56.596 1.00 33.47 ? 502 THR A CB 1 ATOM 3987 O OG1 . THR A 1 502 ? 132.157 24.603 57.351 1.00 34.94 ? 502 THR A OG1 1 ATOM 3988 C CG2 . THR A 1 502 ? 131.033 22.432 57.435 1.00 30.59 ? 502 THR A CG2 1 ATOM 3989 N N . LEU A 1 503 ? 131.166 25.046 53.548 1.00 32.25 ? 503 LEU A N 1 ATOM 3990 C CA . LEU A 1 503 ? 131.327 26.212 52.673 1.00 32.38 ? 503 LEU A CA 1 ATOM 3991 C C . LEU A 1 503 ? 130.272 27.214 53.069 1.00 34.54 ? 503 LEU A C 1 ATOM 3992 O O . LEU A 1 503 ? 129.082 26.950 52.959 1.00 33.30 ? 503 LEU A O 1 ATOM 3993 C CB . LEU A 1 503 ? 131.174 25.847 51.215 1.00 31.20 ? 503 LEU A CB 1 ATOM 3994 C CG . LEU A 1 503 ? 132.093 24.748 50.634 1.00 31.21 ? 503 LEU A CG 1 ATOM 3995 C CD1 . LEU A 1 503 ? 131.661 24.340 49.221 1.00 23.57 ? 503 LEU A CD1 1 ATOM 3996 C CD2 . LEU A 1 503 ? 133.493 25.309 50.671 1.00 28.95 ? 503 LEU A CD2 1 ATOM 3997 N N . ASN A 1 504 ? 130.729 28.349 53.585 1.00 37.09 ? 504 ASN A N 1 ATOM 3998 C CA . ASN A 1 504 ? 129.853 29.414 54.044 1.00 40.57 ? 504 ASN A CA 1 ATOM 3999 C C . ASN A 1 504 ? 130.609 30.757 53.957 1.00 41.84 ? 504 ASN A C 1 ATOM 4000 O O . ASN A 1 504 ? 131.833 30.765 53.727 1.00 40.91 ? 504 ASN A O 1 ATOM 4001 C CB . ASN A 1 504 ? 129.320 29.100 55.451 1.00 40.20 ? 504 ASN A CB 1 ATOM 4002 C CG . ASN A 1 504 ? 130.429 29.005 56.467 1.00 45.60 ? 504 ASN A CG 1 ATOM 4003 O OD1 . ASN A 1 504 ? 130.991 30.025 56.859 1.00 47.94 ? 504 ASN A OD1 1 ATOM 4004 N ND2 . ASN A 1 504 ? 130.772 27.775 56.891 1.00 46.11 ? 504 ASN A ND2 1 ATOM 4005 N N . THR A 1 505 ? 129.905 31.882 54.110 1.00 43.98 ? 505 THR A N 1 ATOM 4006 C CA . THR A 1 505 ? 130.601 33.163 53.998 1.00 47.38 ? 505 THR A CA 1 ATOM 4007 C C . THR A 1 505 ? 131.365 33.523 55.254 1.00 51.00 ? 505 THR A C 1 ATOM 4008 O O . THR A 1 505 ? 132.306 34.327 55.180 1.00 53.03 ? 505 THR A O 1 ATOM 4009 C CB . THR A 1 505 ? 129.671 34.324 53.682 1.00 47.14 ? 505 THR A CB 1 ATOM 4010 O OG1 . THR A 1 505 ? 128.662 34.413 54.701 1.00 45.20 ? 505 THR A OG1 1 ATOM 4011 C CG2 . THR A 1 505 ? 128.948 34.120 52.349 1.00 42.84 ? 505 THR A CG2 1 ATOM 4012 N N . GLU A 1 506 ? 130.963 32.985 56.402 1.00 53.51 ? 506 GLU A N 1 ATOM 4013 C CA . GLU A 1 506 ? 131.623 33.378 57.666 1.00 56.50 ? 506 GLU A CA 1 ATOM 4014 C C . GLU A 1 506 ? 132.934 32.636 58.014 1.00 57.17 ? 506 GLU A C 1 ATOM 4015 O O . GLU A 1 506 ? 134.020 33.230 58.012 1.00 59.03 ? 506 GLU A O 1 ATOM 4016 C CB . GLU A 1 506 ? 130.638 33.406 58.844 1.00 56.73 ? 506 GLU A CB 1 ATOM 4017 C CG . GLU A 1 506 ? 129.661 32.238 58.950 1.00 61.60 ? 506 GLU A CG 1 ATOM 4018 C CD . GLU A 1 506 ? 128.401 32.610 59.738 1.00 66.95 ? 506 GLU A CD 1 ATOM 4019 O OE1 . GLU A 1 506 ? 128.120 31.938 60.762 1.00 69.07 ? 506 GLU A OE1 1 ATOM 4020 O OE2 . GLU A 1 506 ? 127.692 33.585 59.351 1.00 69.17 ? 506 GLU A OE2 1 ATOM 4021 N N . SER A 1 507 ? 132.841 31.335 58.271 1.00 57.08 ? 507 SER A N 1 ATOM 4022 C CA . SER A 1 507 ? 133.960 30.547 58.773 1.00 56.35 ? 507 SER A CA 1 ATOM 4023 C C . SER A 1 507 ? 133.923 29.196 58.111 1.00 54.63 ? 507 SER A C 1 ATOM 4024 O O . SER A 1 507 ? 132.962 28.453 58.275 1.00 54.53 ? 507 SER A O 1 ATOM 4025 C CB . SER A 1 507 ? 133.744 30.319 60.262 1.00 57.05 ? 507 SER A CB 1 ATOM 4026 O OG . SER A 1 507 ? 132.462 29.698 60.440 1.00 61.31 ? 507 SER A OG 1 ATOM 4027 N N . THR A 1 508 ? 134.943 28.877 57.346 1.00 52.68 ? 508 THR A N 1 ATOM 4028 C CA . THR A 1 508 ? 134.989 27.573 56.736 1.00 51.21 ? 508 THR A CA 1 ATOM 4029 C C . THR A 1 508 ? 135.637 26.583 57.708 1.00 49.17 ? 508 THR A C 1 ATOM 4030 O O . THR A 1 508 ? 136.702 26.861 58.271 1.00 49.32 ? 508 THR A O 1 ATOM 4031 C CB . THR A 1 508 ? 135.644 27.672 55.361 1.00 51.84 ? 508 THR A CB 1 ATOM 4032 O OG1 . THR A 1 508 ? 136.738 26.756 55.245 1.00 51.52 ? 508 THR A OG1 1 ATOM 4033 C CG2 . THR A 1 508 ? 136.269 29.006 55.236 1.00 52.84 ? 508 THR A CG2 1 ATOM 4034 N N . ARG A 1 509 ? 134.953 25.465 57.965 1.00 46.26 ? 509 ARG A N 1 ATOM 4035 C CA . ARG A 1 509 ? 135.398 24.527 58.978 1.00 43.64 ? 509 ARG A CA 1 ATOM 4036 C C . ARG A 1 509 ? 135.635 23.112 58.485 1.00 41.37 ? 509 ARG A C 1 ATOM 4037 O O . ARG A 1 509 ? 134.954 22.640 57.583 1.00 39.63 ? 509 ARG A O 1 ATOM 4038 C CB . ARG A 1 509 ? 134.393 24.482 60.111 1.00 45.04 ? 509 ARG A CB 1 ATOM 4039 C CG . ARG A 1 509 ? 134.344 25.766 60.901 1.00 48.34 ? 509 ARG A CG 1 ATOM 4040 C CD . ARG A 1 509 ? 133.168 25.871 61.814 1.00 55.68 ? 509 ARG A CD 1 ATOM 4041 N NE . ARG A 1 509 ? 133.053 27.230 62.371 1.00 64.02 ? 509 ARG A NE 1 ATOM 4042 C CZ . ARG A 1 509 ? 133.982 27.844 63.118 1.00 66.22 ? 509 ARG A CZ 1 ATOM 4043 N NH1 . ARG A 1 509 ? 135.144 27.247 63.419 1.00 64.40 ? 509 ARG A NH1 1 ATOM 4044 N NH2 . ARG A 1 509 ? 133.743 29.081 63.549 1.00 68.33 ? 509 ARG A NH2 1 ATOM 4045 N N . ILE A 1 510 ? 136.616 22.444 59.096 1.00 38.37 ? 510 ILE A N 1 ATOM 4046 C CA . ILE A 1 510 ? 136.751 20.995 58.973 1.00 36.38 ? 510 ILE A CA 1 ATOM 4047 C C . ILE A 1 510 ? 135.909 20.338 60.061 1.00 35.41 ? 510 ILE A C 1 ATOM 4048 O O . ILE A 1 510 ? 136.109 20.589 61.262 1.00 33.80 ? 510 ILE A O 1 ATOM 4049 C CB . ILE A 1 510 ? 138.211 20.509 59.089 1.00 36.71 ? 510 ILE A CB 1 ATOM 4050 C CG1 . ILE A 1 510 ? 139.149 21.215 58.094 1.00 37.36 ? 510 ILE A CG1 1 ATOM 4051 C CG2 . ILE A 1 510 ? 138.258 18.987 58.902 1.00 36.45 ? 510 ILE A CG2 1 ATOM 4052 C CD1 . ILE A 1 510 ? 138.502 21.428 56.688 1.00 41.38 ? 510 ILE A CD1 1 ATOM 4053 N N . MET A 1 511 ? 134.988 19.481 59.618 1.00 33.62 ? 511 MET A N 1 ATOM 4054 C CA . MET A 1 511 ? 134.079 18.742 60.481 1.00 33.43 ? 511 MET A CA 1 ATOM 4055 C C . MET A 1 511 ? 134.159 17.273 60.122 1.00 32.01 ? 511 MET A C 1 ATOM 4056 O O . MET A 1 511 ? 134.824 16.930 59.133 1.00 30.11 ? 511 MET A O 1 ATOM 4057 C CB A MET A 1 511 ? 132.668 19.319 60.400 0.50 34.14 ? 511 MET A CB 1 ATOM 4058 C CB B MET A 1 511 ? 132.658 19.241 60.245 0.50 33.84 ? 511 MET A CB 1 ATOM 4059 C CG A MET A 1 511 ? 132.617 20.772 60.910 0.50 35.42 ? 511 MET A CG 1 ATOM 4060 C CG B MET A 1 511 ? 132.479 20.747 60.451 0.50 34.91 ? 511 MET A CG 1 ATOM 4061 S SD A MET A 1 511 ? 130.986 21.505 61.107 0.50 37.49 ? 511 MET A SD 1 ATOM 4062 S SD B MET A 1 511 ? 132.745 21.197 62.176 0.50 34.26 ? 511 MET A SD 1 ATOM 4063 C CE A MET A 1 511 ? 130.389 20.540 62.481 0.50 35.65 ? 511 MET A CE 1 ATOM 4064 C CE B MET A 1 511 ? 131.168 20.706 62.849 0.50 34.37 ? 511 MET A CE 1 ATOM 4065 N N . THR A 1 512 ? 133.583 16.412 60.958 1.00 31.20 ? 512 THR A N 1 ATOM 4066 C CA . THR A 1 512 ? 133.635 14.942 60.755 1.00 30.95 ? 512 THR A CA 1 ATOM 4067 C C . THR A 1 512 ? 132.269 14.304 60.867 1.00 29.83 ? 512 THR A C 1 ATOM 4068 O O . THR A 1 512 ? 131.418 14.756 61.664 1.00 29.09 ? 512 THR A O 1 ATOM 4069 C CB . THR A 1 512 ? 134.602 14.227 61.806 1.00 32.37 ? 512 THR A CB 1 ATOM 4070 O OG1 . THR A 1 512 ? 134.253 14.665 63.125 1.00 33.76 ? 512 THR A OG1 1 ATOM 4071 C CG2 . THR A 1 512 ? 136.054 14.690 61.648 1.00 30.96 ? 512 THR A CG2 1 ATOM 4072 N N . LYS A 1 513 ? 132.065 13.237 60.088 1.00 29.37 ? 513 LYS A N 1 ATOM 4073 C CA . LYS A 1 513 ? 130.874 12.354 60.240 1.00 28.95 ? 513 LYS A CA 1 ATOM 4074 C C . LYS A 1 513 ? 129.536 13.083 60.156 1.00 28.81 ? 513 LYS A C 1 ATOM 4075 O O . LYS A 1 513 ? 128.667 13.051 61.071 1.00 30.02 ? 513 LYS A O 1 ATOM 4076 C CB . LYS A 1 513 ? 131.005 11.433 61.501 1.00 30.34 ? 513 LYS A CB 1 ATOM 4077 C CG . LYS A 1 513 ? 132.264 10.526 61.499 1.00 30.59 ? 513 LYS A CG 1 ATOM 4078 C CD . LYS A 1 513 ? 132.534 9.884 62.877 1.00 34.65 ? 513 LYS A CD 1 ATOM 4079 C CE . LYS A 1 513 ? 133.738 8.949 62.816 1.00 39.60 ? 513 LYS A CE 1 ATOM 4080 N NZ . LYS A 1 513 ? 133.866 8.240 64.160 1.00 39.58 ? 513 LYS A NZ 1 ATOM 4081 N N . LEU A 1 514 ? 129.375 13.790 59.048 1.00 28.98 ? 514 LEU A N 1 ATOM 4082 C CA . LEU A 1 514 ? 128.140 14.494 58.702 1.00 28.64 ? 514 LEU A CA 1 ATOM 4083 C C . LEU A 1 514 ? 126.906 13.568 58.856 1.00 29.18 ? 514 LEU A C 1 ATOM 4084 O O . LEU A 1 514 ? 126.887 12.471 58.320 1.00 29.46 ? 514 LEU A O 1 ATOM 4085 C CB . LEU A 1 514 ? 128.259 15.010 57.244 1.00 27.40 ? 514 LEU A CB 1 ATOM 4086 C CG . LEU A 1 514 ? 127.036 15.813 56.749 1.00 28.56 ? 514 LEU A CG 1 ATOM 4087 C CD1 . LEU A 1 514 ? 126.792 17.135 57.568 1.00 27.31 ? 514 LEU A CD1 1 ATOM 4088 C CD2 . LEU A 1 514 ? 127.202 16.179 55.230 1.00 28.91 ? 514 LEU A CD2 1 ATOM 4089 N N . ARG A 1 515 ? 125.896 14.015 59.582 1.00 31.15 ? 515 ARG A N 1 ATOM 4090 C CA . ARG A 1 515 ? 124.636 13.253 59.756 1.00 33.26 ? 515 ARG A CA 1 ATOM 4091 C C . ARG A 1 515 ? 124.862 11.806 60.132 1.00 33.62 ? 515 ARG A C 1 ATOM 4092 O O . ARG A 1 515 ? 124.143 10.934 59.634 1.00 31.95 ? 515 ARG A O 1 ATOM 4093 C CB . ARG A 1 515 ? 123.776 13.277 58.476 1.00 33.84 ? 515 ARG A CB 1 ATOM 4094 C CG . ARG A 1 515 ? 123.414 14.622 58.011 1.00 37.30 ? 515 ARG A CG 1 ATOM 4095 C CD . ARG A 1 515 ? 122.104 15.135 58.543 1.00 41.09 ? 515 ARG A CD 1 ATOM 4096 N NE . ARG A 1 515 ? 121.536 16.180 57.704 1.00 40.75 ? 515 ARG A NE 1 ATOM 4097 C CZ . ARG A 1 515 ? 122.081 17.394 57.551 1.00 46.09 ? 515 ARG A CZ 1 ATOM 4098 N NH1 . ARG A 1 515 ? 121.484 18.342 56.789 1.00 40.72 ? 515 ARG A NH1 1 ATOM 4099 N NH2 . ARG A 1 515 ? 123.219 17.685 58.199 1.00 46.31 ? 515 ARG A NH2 1 ATOM 4100 N N . ALA A 1 516 ? 125.847 11.552 61.011 1.00 33.97 ? 516 ALA A N 1 ATOM 4101 C CA . ALA A 1 516 ? 126.236 10.194 61.363 1.00 35.55 ? 516 ALA A CA 1 ATOM 4102 C C . ALA A 1 516 ? 124.993 9.389 61.775 1.00 35.73 ? 516 ALA A C 1 ATOM 4103 O O . ALA A 1 516 ? 124.744 8.325 61.254 1.00 34.12 ? 516 ALA A O 1 ATOM 4104 C CB . ALA A 1 516 ? 127.268 10.204 62.529 1.00 35.37 ? 516 ALA A CB 1 ATOM 4105 N N . GLN A 1 517 ? 124.223 9.945 62.707 1.00 37.79 ? 517 GLN A N 1 ATOM 4106 C CA . GLN A 1 517 ? 123.088 9.242 63.341 1.00 39.12 ? 517 GLN A CA 1 ATOM 4107 C C . GLN A 1 517 ? 121.951 9.021 62.330 1.00 38.37 ? 517 GLN A C 1 ATOM 4108 O O . GLN A 1 517 ? 121.392 7.950 62.194 1.00 35.38 ? 517 GLN A O 1 ATOM 4109 C CB . GLN A 1 517 ? 122.640 10.098 64.540 1.00 41.25 ? 517 GLN A CB 1 ATOM 4110 C CG . GLN A 1 517 ? 121.490 9.560 65.345 1.00 45.99 ? 517 GLN A CG 1 ATOM 4111 C CD A GLN A 1 517 ? 121.759 9.628 66.863 0.50 47.93 ? 517 GLN A CD 1 ATOM 4112 C CD B GLN A 1 517 ? 120.401 10.597 65.549 0.50 46.78 ? 517 GLN A CD 1 ATOM 4113 O OE1 A GLN A 1 517 ? 121.185 8.851 67.626 0.50 48.41 ? 517 GLN A OE1 1 ATOM 4114 O OE1 B GLN A 1 517 ? 119.651 10.928 64.618 0.50 47.53 ? 517 GLN A OE1 1 ATOM 4115 N NE2 A GLN A 1 517 ? 122.637 10.539 67.288 0.50 48.22 ? 517 GLN A NE2 1 ATOM 4116 N NE2 B GLN A 1 517 ? 120.308 11.111 66.764 0.50 47.81 ? 517 GLN A NE2 1 ATOM 4117 N N . GLN A 1 518 ? 121.695 10.044 61.524 1.00 38.52 ? 518 GLN A N 1 ATOM 4118 C CA . GLN A 1 518 ? 120.648 9.946 60.520 1.00 37.13 ? 518 GLN A CA 1 ATOM 4119 C C . GLN A 1 518 ? 120.955 8.927 59.485 1.00 36.70 ? 518 GLN A C 1 ATOM 4120 O O . GLN A 1 518 ? 120.096 8.154 59.097 1.00 38.34 ? 518 GLN A O 1 ATOM 4121 C CB . GLN A 1 518 ? 120.404 11.321 59.891 1.00 36.63 ? 518 GLN A CB 1 ATOM 4122 C CG . GLN A 1 518 ? 119.893 12.324 60.902 1.00 37.20 ? 518 GLN A CG 1 ATOM 4123 C CD . GLN A 1 518 ? 120.994 13.215 61.519 1.00 41.62 ? 518 GLN A CD 1 ATOM 4124 O OE1 . GLN A 1 518 ? 120.769 14.389 61.753 1.00 48.81 ? 518 GLN A OE1 1 ATOM 4125 N NE2 . GLN A 1 518 ? 122.144 12.657 61.808 1.00 38.15 ? 518 GLN A NE2 1 ATOM 4126 N N . CYS A 1 519 ? 122.185 8.915 58.997 1.00 37.26 ? 519 CYS A N 1 ATOM 4127 C CA . CYS A 1 519 ? 122.545 8.071 57.883 1.00 36.41 ? 519 CYS A CA 1 ATOM 4128 C C . CYS A 1 519 ? 122.681 6.611 58.255 1.00 36.85 ? 519 CYS A C 1 ATOM 4129 O O . CYS A 1 519 ? 122.413 5.760 57.411 1.00 35.48 ? 519 CYS A O 1 ATOM 4130 C CB . CYS A 1 519 ? 123.810 8.615 57.204 1.00 37.16 ? 519 CYS A CB 1 ATOM 4131 S SG . CYS A 1 519 ? 123.432 10.187 56.360 1.00 39.52 ? 519 CYS A SG 1 ATOM 4132 N N . ARG A 1 520 ? 123.050 6.318 59.520 1.00 36.55 ? 520 ARG A N 1 ATOM 4133 C CA . ARG A 1 520 ? 122.967 4.938 60.033 1.00 37.72 ? 520 ARG A CA 1 ATOM 4134 C C . ARG A 1 520 ? 121.535 4.414 59.816 1.00 36.83 ? 520 ARG A C 1 ATOM 4135 O O . ARG A 1 520 ? 121.353 3.331 59.313 1.00 36.09 ? 520 ARG A O 1 ATOM 4136 C CB . ARG A 1 520 ? 123.368 4.827 61.528 1.00 38.61 ? 520 ARG A CB 1 ATOM 4137 C CG . ARG A 1 520 ? 124.911 4.866 61.792 1.00 44.50 ? 520 ARG A CG 1 ATOM 4138 C CD . ARG A 1 520 ? 125.380 4.763 63.313 1.00 46.62 ? 520 ARG A CD 1 ATOM 4139 N NE . ARG A 1 520 ? 126.038 5.991 63.823 1.00 53.50 ? 520 ARG A NE 1 ATOM 4140 C CZ . ARG A 1 520 ? 125.535 6.801 64.769 1.00 53.65 ? 520 ARG A CZ 1 ATOM 4141 N NH1 . ARG A 1 520 ? 126.218 7.866 65.142 1.00 56.02 ? 520 ARG A NH1 1 ATOM 4142 N NH2 . ARG A 1 520 ? 124.357 6.546 65.363 1.00 57.53 ? 520 ARG A NH2 1 ATOM 4143 N N . PHE A 1 521 ? 120.528 5.218 60.174 1.00 36.13 ? 521 PHE A N 1 ATOM 4144 C CA . PHE A 1 521 ? 119.112 4.886 59.856 1.00 35.34 ? 521 PHE A CA 1 ATOM 4145 C C . PHE A 1 521 ? 118.800 4.539 58.390 1.00 34.89 ? 521 PHE A C 1 ATOM 4146 O O . PHE A 1 521 ? 118.286 3.450 58.088 1.00 34.51 ? 521 PHE A O 1 ATOM 4147 C CB . PHE A 1 521 ? 118.149 5.971 60.409 1.00 34.74 ? 521 PHE A CB 1 ATOM 4148 C CG . PHE A 1 521 ? 116.714 5.726 60.043 1.00 36.44 ? 521 PHE A CG 1 ATOM 4149 C CD1 . PHE A 1 521 ? 115.938 4.797 60.781 1.00 33.37 ? 521 PHE A CD1 1 ATOM 4150 C CD2 . PHE A 1 521 ? 116.135 6.383 58.934 1.00 35.86 ? 521 PHE A CD2 1 ATOM 4151 C CE1 . PHE A 1 521 ? 114.624 4.540 60.421 1.00 35.39 ? 521 PHE A CE1 1 ATOM 4152 C CE2 . PHE A 1 521 ? 114.797 6.138 58.566 1.00 36.87 ? 521 PHE A CE2 1 ATOM 4153 C CZ . PHE A 1 521 ? 114.030 5.209 59.311 1.00 36.68 ? 521 PHE A CZ 1 ATOM 4154 N N . TRP A 1 522 ? 119.087 5.466 57.470 1.00 35.69 ? 522 TRP A N 1 ATOM 4155 C CA . TRP A 1 522 ? 118.791 5.289 56.037 1.00 36.08 ? 522 TRP A CA 1 ATOM 4156 C C . TRP A 1 522 ? 119.671 4.261 55.338 1.00 38.52 ? 522 TRP A C 1 ATOM 4157 O O . TRP A 1 522 ? 119.259 3.518 54.429 1.00 37.63 ? 522 TRP A O 1 ATOM 4158 C CB . TRP A 1 522 ? 118.962 6.654 55.316 1.00 34.72 ? 522 TRP A CB 1 ATOM 4159 C CG . TRP A 1 522 ? 117.955 7.655 55.741 1.00 31.58 ? 522 TRP A CG 1 ATOM 4160 C CD1 . TRP A 1 522 ? 118.176 8.796 56.475 1.00 30.19 ? 522 TRP A CD1 1 ATOM 4161 C CD2 . TRP A 1 522 ? 116.548 7.586 55.513 1.00 31.57 ? 522 TRP A CD2 1 ATOM 4162 N NE1 . TRP A 1 522 ? 116.981 9.444 56.716 1.00 31.13 ? 522 TRP A NE1 1 ATOM 4163 C CE2 . TRP A 1 522 ? 115.965 8.718 56.132 1.00 31.12 ? 522 TRP A CE2 1 ATOM 4164 C CE3 . TRP A 1 522 ? 115.698 6.640 54.892 1.00 31.14 ? 522 TRP A CE3 1 ATOM 4165 C CZ2 . TRP A 1 522 ? 114.575 8.962 56.115 1.00 31.08 ? 522 TRP A CZ2 1 ATOM 4166 C CZ3 . TRP A 1 522 ? 114.293 6.897 54.876 1.00 32.64 ? 522 TRP A CZ3 1 ATOM 4167 C CH2 . TRP A 1 522 ? 113.766 8.041 55.497 1.00 31.71 ? 522 TRP A CH2 1 ATOM 4168 N N . THR A 1 523 ? 120.932 4.240 55.743 1.00 41.67 ? 523 THR A N 1 ATOM 4169 C CA . THR A 1 523 ? 121.902 3.438 55.029 1.00 44.80 ? 523 THR A CA 1 ATOM 4170 C C . THR A 1 523 ? 121.825 2.012 55.574 1.00 46.48 ? 523 THR A C 1 ATOM 4171 O O . THR A 1 523 ? 121.822 1.060 54.810 1.00 46.57 ? 523 THR A O 1 ATOM 4172 C CB . THR A 1 523 ? 123.305 4.118 55.116 1.00 44.99 ? 523 THR A CB 1 ATOM 4173 O OG1 . THR A 1 523 ? 123.190 5.450 54.565 1.00 46.57 ? 523 THR A OG1 1 ATOM 4174 C CG2 . THR A 1 523 ? 124.344 3.453 54.207 1.00 45.01 ? 523 THR A CG2 1 ATOM 4175 N N . SER A 1 524 ? 121.688 1.854 56.883 1.00 48.71 ? 524 SER A N 1 ATOM 4176 C CA . SER A 1 524 ? 121.738 0.498 57.420 1.00 51.09 ? 524 SER A CA 1 ATOM 4177 C C . SER A 1 524 ? 120.422 -0.107 57.858 1.00 51.31 ? 524 SER A C 1 ATOM 4178 O O . SER A 1 524 ? 120.308 -1.310 57.831 1.00 53.97 ? 524 SER A O 1 ATOM 4179 C CB . SER A 1 524 ? 122.784 0.358 58.540 1.00 51.44 ? 524 SER A CB 1 ATOM 4180 O OG . SER A 1 524 ? 124.064 0.745 58.043 1.00 54.53 ? 524 SER A OG 1 ATOM 4181 N N . PHE A 1 525 ? 119.451 0.672 58.309 1.00 50.20 ? 525 PHE A N 1 ATOM 4182 C CA . PHE A 1 525 ? 118.184 0.061 58.662 1.00 50.01 ? 525 PHE A CA 1 ATOM 4183 C C . PHE A 1 525 ? 117.136 0.097 57.546 1.00 50.13 ? 525 PHE A C 1 ATOM 4184 O O . PHE A 1 525 ? 116.624 -0.967 57.109 1.00 49.98 ? 525 PHE A O 1 ATOM 4185 C CB . PHE A 1 525 ? 117.565 0.667 59.910 1.00 49.71 ? 525 PHE A CB 1 ATOM 4186 C CG . PHE A 1 525 ? 116.166 0.186 60.139 1.00 52.55 ? 525 PHE A CG 1 ATOM 4187 C CD1 . PHE A 1 525 ? 115.120 1.071 60.247 1.00 53.96 ? 525 PHE A CD1 1 ATOM 4188 C CD2 . PHE A 1 525 ? 115.891 -1.200 60.184 1.00 55.92 ? 525 PHE A CD2 1 ATOM 4189 C CE1 . PHE A 1 525 ? 113.822 0.615 60.410 1.00 53.55 ? 525 PHE A CE1 1 ATOM 4190 C CE2 . PHE A 1 525 ? 114.611 -1.671 60.344 1.00 53.04 ? 525 PHE A CE2 1 ATOM 4191 C CZ . PHE A 1 525 ? 113.569 -0.749 60.461 1.00 55.18 ? 525 PHE A CZ 1 ATOM 4192 N N . PHE A 1 526 ? 116.806 1.325 57.101 1.00 48.93 ? 526 PHE A N 1 ATOM 4193 C CA . PHE A 1 526 ? 115.677 1.545 56.181 1.00 47.82 ? 526 PHE A CA 1 ATOM 4194 C C . PHE A 1 526 ? 115.618 0.653 54.911 1.00 47.80 ? 526 PHE A C 1 ATOM 4195 O O . PHE A 1 526 ? 114.524 0.288 54.497 1.00 47.15 ? 526 PHE A O 1 ATOM 4196 C CB . PHE A 1 526 ? 115.509 3.045 55.836 1.00 45.92 ? 526 PHE A CB 1 ATOM 4197 C CG . PHE A 1 526 ? 114.220 3.367 55.102 1.00 44.42 ? 526 PHE A CG 1 ATOM 4198 C CD1 . PHE A 1 526 ? 113.012 3.492 55.800 1.00 43.35 ? 526 PHE A CD1 1 ATOM 4199 C CD2 . PHE A 1 526 ? 114.204 3.501 53.724 1.00 41.70 ? 526 PHE A CD2 1 ATOM 4200 C CE1 . PHE A 1 526 ? 111.835 3.771 55.143 1.00 40.11 ? 526 PHE A CE1 1 ATOM 4201 C CE2 . PHE A 1 526 ? 112.994 3.790 53.043 1.00 42.03 ? 526 PHE A CE2 1 ATOM 4202 C CZ . PHE A 1 526 ? 111.829 3.935 53.760 1.00 40.62 ? 526 PHE A CZ 1 ATOM 4203 N N . PRO A 1 527 ? 116.746 0.319 54.274 1.00 49.48 ? 527 PRO A N 1 ATOM 4204 C CA . PRO A 1 527 ? 116.695 -0.527 53.054 1.00 50.92 ? 527 PRO A CA 1 ATOM 4205 C C . PRO A 1 527 ? 116.119 -1.940 53.305 1.00 53.03 ? 527 PRO A C 1 ATOM 4206 O O . PRO A 1 527 ? 115.884 -2.699 52.345 1.00 52.80 ? 527 PRO A O 1 ATOM 4207 C CB . PRO A 1 527 ? 118.163 -0.634 52.598 1.00 50.94 ? 527 PRO A CB 1 ATOM 4208 C CG . PRO A 1 527 ? 118.982 0.175 53.543 1.00 49.90 ? 527 PRO A CG 1 ATOM 4209 C CD . PRO A 1 527 ? 118.125 0.693 54.638 1.00 49.01 ? 527 PRO A CD 1 ATOM 4210 N N . LYS A 1 528 ? 115.925 -2.280 54.585 1.00 54.34 ? 528 LYS A N 1 ATOM 4211 C CA . LYS A 1 528 ? 115.401 -3.581 54.971 1.00 55.79 ? 528 LYS A CA 1 ATOM 4212 C C . LYS A 1 528 ? 113.872 -3.626 54.901 1.00 57.00 ? 528 LYS A C 1 ATOM 4213 O O . LYS A 1 528 ? 113.298 -4.670 54.534 1.00 57.72 ? 528 LYS A O 1 ATOM 4214 C CB . LYS A 1 528 ? 115.891 -3.973 56.369 1.00 54.86 ? 528 LYS A CB 1 ATOM 4215 C CG . LYS A 1 528 ? 117.392 -4.231 56.447 1.00 54.63 ? 528 LYS A CG 1 ATOM 4216 C CD . LYS A 1 528 ? 117.843 -4.506 57.879 1.00 55.41 ? 528 LYS A CD 1 ATOM 4217 C CE . LYS A 1 528 ? 119.355 -4.538 57.993 1.00 56.96 ? 528 LYS A CE 1 ATOM 4218 N NZ . LYS A 1 528 ? 119.802 -4.137 59.351 1.00 57.02 ? 528 LYS A NZ 1 ATOM 4219 N N . VAL A 1 529 ? 113.215 -2.510 55.244 1.00 57.40 ? 529 VAL A N 1 ATOM 4220 C CA . VAL A 1 529 ? 111.735 -2.461 55.269 1.00 57.48 ? 529 VAL A CA 1 ATOM 4221 C C . VAL A 1 529 ? 111.115 -2.686 53.864 1.00 58.31 ? 529 VAL A C 1 ATOM 4222 O O . VAL A 1 529 ? 111.736 -2.483 52.809 1.00 58.10 ? 529 VAL A O 1 ATOM 4223 C CB . VAL A 1 529 ? 111.171 -1.152 55.989 1.00 57.71 ? 529 VAL A CB 1 ATOM 4224 C CG1 . VAL A 1 529 ? 112.048 -0.742 57.172 1.00 53.95 ? 529 VAL A CG1 1 ATOM 4225 C CG2 . VAL A 1 529 ? 111.012 0.035 55.012 1.00 55.69 ? 529 VAL A CG2 1 ATOM 4226 O OXT . VAL A 1 529 ? 109.959 -3.089 53.733 1.00 59.03 ? 529 VAL A OXT 1 HETATM 4227 C C1 . NAG B 2 . ? 102.367 -1.703 36.938 1.00 72.75 ? 530 NAG A C1 1 HETATM 4228 C C2 . NAG B 2 . ? 102.252 -1.344 38.433 1.00 77.88 ? 530 NAG A C2 1 HETATM 4229 C C3 . NAG B 2 . ? 100.832 -1.481 39.014 1.00 78.04 ? 530 NAG A C3 1 HETATM 4230 C C4 . NAG B 2 . ? 99.711 -0.982 38.099 1.00 78.66 ? 530 NAG A C4 1 HETATM 4231 C C5 . NAG B 2 . ? 100.021 -1.345 36.636 1.00 77.16 ? 530 NAG A C5 1 HETATM 4232 C C6 . NAG B 2 . ? 99.049 -0.740 35.614 1.00 75.26 ? 530 NAG A C6 1 HETATM 4233 C C7 . NAG B 2 . ? 104.220 -1.444 39.881 1.00 81.62 ? 530 NAG A C7 1 HETATM 4234 C C8 . NAG B 2 . ? 105.531 -2.187 39.958 1.00 83.36 ? 530 NAG A C8 1 HETATM 4235 N N2 . NAG B 2 . ? 103.218 -2.070 39.252 1.00 79.61 ? 530 NAG A N2 1 HETATM 4236 O O3 . NAG B 2 . ? 100.727 -0.782 40.236 1.00 78.32 ? 530 NAG A O3 1 HETATM 4237 O O4 . NAG B 2 . ? 98.498 -1.612 38.504 1.00 81.50 ? 530 NAG A O4 1 HETATM 4238 O O5 . NAG B 2 . ? 101.346 -0.973 36.280 1.00 75.56 ? 530 NAG A O5 1 HETATM 4239 O O6 . NAG B 2 . ? 98.129 0.156 36.216 1.00 74.34 ? 530 NAG A O6 1 HETATM 4240 O O7 . NAG B 2 . ? 104.116 -0.316 40.381 1.00 81.87 ? 530 NAG A O7 1 HETATM 4241 C C1 . NAG C 2 . ? 97.519 -0.756 39.139 1.00 83.98 ? 531 NAG A C1 1 HETATM 4242 C C2 . NAG C 2 . ? 96.122 -1.349 38.908 1.00 85.48 ? 531 NAG A C2 1 HETATM 4243 C C3 . NAG C 2 . ? 94.996 -0.765 39.780 1.00 86.71 ? 531 NAG A C3 1 HETATM 4244 C C4 . NAG C 2 . ? 95.420 -0.211 41.150 1.00 86.83 ? 531 NAG A C4 1 HETATM 4245 C C5 . NAG C 2 . ? 96.885 0.266 41.190 1.00 86.44 ? 531 NAG A C5 1 HETATM 4246 C C6 . NAG C 2 . ? 97.356 0.416 42.634 1.00 86.73 ? 531 NAG A C6 1 HETATM 4247 C C7 . NAG C 2 . ? 95.623 -2.235 36.667 1.00 85.94 ? 531 NAG A C7 1 HETATM 4248 C C8 . NAG C 2 . ? 94.891 -1.909 35.396 1.00 85.64 ? 531 NAG A C8 1 HETATM 4249 N N2 . NAG C 2 . ? 95.741 -1.199 37.513 1.00 85.97 ? 531 NAG A N2 1 HETATM 4250 O O3 . NAG C 2 . ? 94.027 -1.780 40.004 1.00 87.63 ? 531 NAG A O3 1 HETATM 4251 O O4 . NAG C 2 . ? 94.510 0.807 41.550 1.00 86.44 ? 531 NAG A O4 1 HETATM 4252 O O5 . NAG C 2 . ? 97.762 -0.631 40.522 1.00 84.98 ? 531 NAG A O5 1 HETATM 4253 O O6 . NAG C 2 . ? 97.873 -0.814 43.096 1.00 86.76 ? 531 NAG A O6 1 HETATM 4254 O O7 . NAG C 2 . ? 96.067 -3.379 36.875 1.00 84.31 ? 531 NAG A O7 1 HETATM 4255 C C1 . FUL D 3 . ? 98.194 1.421 35.535 1.00 73.74 ? 532 FUL A C1 1 HETATM 4256 C C2 . FUL D 3 . ? 97.642 2.619 36.295 1.00 73.12 ? 532 FUL A C2 1 HETATM 4257 O O2 . FUL D 3 . ? 97.724 2.501 37.695 1.00 73.52 ? 532 FUL A O2 1 HETATM 4258 C C3 . FUL D 3 . ? 98.535 3.744 35.780 1.00 73.47 ? 532 FUL A C3 1 HETATM 4259 O O3 . FUL D 3 . ? 98.229 4.972 36.424 1.00 73.13 ? 532 FUL A O3 1 HETATM 4260 C C4 . FUL D 3 . ? 98.456 3.819 34.230 1.00 73.10 ? 532 FUL A C4 1 HETATM 4261 O O4 . FUL D 3 . ? 97.314 4.561 33.852 1.00 73.78 ? 532 FUL A O4 1 HETATM 4262 C C5 . FUL D 3 . ? 98.495 2.436 33.524 1.00 72.74 ? 532 FUL A C5 1 HETATM 4263 C C6 . FUL D 3 . ? 98.150 2.448 32.032 1.00 72.02 ? 532 FUL A C6 1 HETATM 4264 O O5 . FUL D 3 . ? 97.694 1.482 34.209 1.00 71.73 ? 532 FUL A O5 1 HETATM 4265 C C1 . NAG E 2 . ? 100.137 27.716 54.571 1.00 48.75 ? 533 NAG A C1 1 HETATM 4266 C C2 . NAG E 2 . ? 99.163 27.620 55.750 1.00 54.80 ? 533 NAG A C2 1 HETATM 4267 C C3 . NAG E 2 . ? 98.420 26.305 55.654 1.00 55.83 ? 533 NAG A C3 1 HETATM 4268 C C4 . NAG E 2 . ? 97.822 26.100 54.265 1.00 57.25 ? 533 NAG A C4 1 HETATM 4269 C C5 . NAG E 2 . ? 98.905 26.308 53.203 1.00 55.96 ? 533 NAG A C5 1 HETATM 4270 C C6 . NAG E 2 . ? 98.635 26.081 51.695 1.00 60.61 ? 533 NAG A C6 1 HETATM 4271 C C7 . NAG E 2 . ? 99.997 28.669 57.837 1.00 59.15 ? 533 NAG A C7 1 HETATM 4272 C C8 . NAG E 2 . ? 99.288 29.950 57.540 1.00 59.70 ? 533 NAG A C8 1 HETATM 4273 N N2 . NAG E 2 . ? 99.795 27.613 57.048 1.00 56.81 ? 533 NAG A N2 1 HETATM 4274 O O3 . NAG E 2 . ? 97.450 26.268 56.663 1.00 55.74 ? 533 NAG A O3 1 HETATM 4275 O O4 . NAG E 2 . ? 97.326 24.801 54.229 1.00 61.59 ? 533 NAG A O4 1 HETATM 4276 O O5 . NAG E 2 . ? 99.415 27.602 53.380 1.00 50.52 ? 533 NAG A O5 1 HETATM 4277 O O6 . NAG E 2 . ? 97.378 26.307 51.077 1.00 67.40 ? 533 NAG A O6 1 HETATM 4278 O O7 . NAG E 2 . ? 100.766 28.598 58.806 1.00 62.12 ? 533 NAG A O7 1 HETATM 4279 C C1 . NAG F 2 . ? 95.932 24.936 53.952 1.00 68.61 ? 534 NAG A C1 1 HETATM 4280 C C2 . NAG F 2 . ? 95.503 23.595 53.398 1.00 70.21 ? 534 NAG A C2 1 HETATM 4281 C C3 . NAG F 2 . ? 94.012 23.581 53.135 1.00 71.59 ? 534 NAG A C3 1 HETATM 4282 C C4 . NAG F 2 . ? 93.178 24.091 54.333 1.00 73.20 ? 534 NAG A C4 1 HETATM 4283 C C5 . NAG F 2 . ? 93.843 25.064 55.323 1.00 73.61 ? 534 NAG A C5 1 HETATM 4284 C C6 . NAG F 2 . ? 93.690 24.533 56.755 1.00 74.79 ? 534 NAG A C6 1 HETATM 4285 C C7 . NAG F 2 . ? 97.091 22.335 52.015 1.00 74.86 ? 534 NAG A C7 1 HETATM 4286 C C8 . NAG F 2 . ? 97.739 22.168 50.666 1.00 73.24 ? 534 NAG A C8 1 HETATM 4287 N N2 . NAG F 2 . ? 96.226 23.351 52.165 1.00 71.95 ? 534 NAG A N2 1 HETATM 4288 O O3 . NAG F 2 . ? 93.712 22.234 52.824 1.00 69.94 ? 534 NAG A O3 1 HETATM 4289 O O4 . NAG F 2 . ? 92.049 24.786 53.874 1.00 73.27 ? 534 NAG A O4 1 HETATM 4290 O O5 . NAG F 2 . ? 95.206 25.442 55.076 1.00 71.29 ? 534 NAG A O5 1 HETATM 4291 O O6 . NAG F 2 . ? 94.792 23.719 57.136 1.00 76.01 ? 534 NAG A O6 1 HETATM 4292 O O7 . NAG F 2 . ? 97.374 21.539 52.922 1.00 76.69 ? 534 NAG A O7 1 HETATM 4293 C C1 . FUC G 4 . ? 97.053 27.717 51.022 1.00 70.15 ? 535 FUC A C1 1 HETATM 4294 C C2 . FUC G 4 . ? 95.744 28.101 50.330 1.00 71.51 ? 535 FUC A C2 1 HETATM 4295 C C3 . FUC G 4 . ? 95.321 29.345 51.128 1.00 71.36 ? 535 FUC A C3 1 HETATM 4296 C C4 . FUC G 4 . ? 96.427 30.429 51.083 1.00 71.23 ? 535 FUC A C4 1 HETATM 4297 C C5 . FUC G 4 . ? 97.851 29.831 51.320 1.00 70.15 ? 535 FUC A C5 1 HETATM 4298 C C6 . FUC G 4 . ? 99.046 30.767 51.090 1.00 67.97 ? 535 FUC A C6 1 HETATM 4299 O O2 . FUC G 4 . ? 94.775 27.073 50.334 1.00 71.38 ? 535 FUC A O2 1 HETATM 4300 O O3 . FUC G 4 . ? 94.098 29.846 50.644 1.00 73.38 ? 535 FUC A O3 1 HETATM 4301 O O4 . FUC G 4 . ? 96.333 31.117 49.844 1.00 70.01 ? 535 FUC A O4 1 HETATM 4302 O O5 . FUC G 4 . ? 98.016 28.644 50.554 1.00 69.99 ? 535 FUC A O5 1 HETATM 4303 C C1 . NAG H 2 . ? 148.804 19.023 27.121 1.00 59.45 ? 536 NAG A C1 1 HETATM 4304 C C2 . NAG H 2 . ? 149.708 18.633 25.921 1.00 65.05 ? 536 NAG A C2 1 HETATM 4305 C C3 . NAG H 2 . ? 149.888 17.101 25.824 1.00 66.72 ? 536 NAG A C3 1 HETATM 4306 C C4 . NAG H 2 . ? 150.291 16.513 27.191 1.00 66.90 ? 536 NAG A C4 1 HETATM 4307 C C5 . NAG H 2 . ? 149.268 16.993 28.258 1.00 64.87 ? 536 NAG A C5 1 HETATM 4308 C C6 . NAG H 2 . ? 149.399 16.360 29.655 1.00 65.91 ? 536 NAG A C6 1 HETATM 4309 C C7 . NAG H 2 . ? 149.639 20.385 24.112 1.00 68.79 ? 536 NAG A C7 1 HETATM 4310 C C8 . NAG H 2 . ? 150.509 21.360 24.867 1.00 69.16 ? 536 NAG A C8 1 HETATM 4311 N N2 . NAG H 2 . ? 149.238 19.212 24.662 1.00 66.31 ? 536 NAG A N2 1 HETATM 4312 O O3 . NAG H 2 . ? 150.817 16.713 24.827 1.00 68.36 ? 536 NAG A O3 1 HETATM 4313 O O4 . NAG H 2 . ? 150.378 15.099 27.075 1.00 67.94 ? 536 NAG A O4 1 HETATM 4314 O O5 . NAG H 2 . ? 149.310 18.418 28.311 1.00 61.84 ? 536 NAG A O5 1 HETATM 4315 O O6 . NAG H 2 . ? 148.926 17.195 30.719 1.00 67.22 ? 536 NAG A O6 1 HETATM 4316 O O7 . NAG H 2 . ? 149.306 20.702 22.967 1.00 70.87 ? 536 NAG A O7 1 HETATM 4317 C C1 . FUC I 4 . ? 148.037 16.440 31.584 1.00 66.17 ? 537 FUC A C1 1 HETATM 4318 C C2 . FUC I 4 . ? 147.534 17.171 32.840 1.00 65.46 ? 537 FUC A C2 1 HETATM 4319 C C3 . FUC I 4 . ? 146.196 16.476 33.191 1.00 64.43 ? 537 FUC A C3 1 HETATM 4320 C C4 . FUC I 4 . ? 146.462 14.971 33.420 0.50 64.31 ? 537 FUC A C4 1 HETATM 4321 C C5 . FUC I 4 . ? 147.347 14.350 32.304 0.50 64.12 ? 537 FUC A C5 1 HETATM 4322 C C6 . FUC I 4 . ? 147.828 12.929 32.584 0.50 63.59 ? 537 FUC A C6 1 HETATM 4323 O O2 . FUC I 4 . ? 147.442 18.569 32.635 1.00 64.04 ? 537 FUC A O2 1 HETATM 4324 O O3 . FUC I 4 . ? 145.463 17.077 34.270 1.00 63.90 ? 537 FUC A O3 1 HETATM 4325 O O4 . FUC I 4 . ? 147.021 14.775 34.709 0.50 63.62 ? 537 FUC A O4 1 HETATM 4326 O O5 . FUC I 4 . ? 148.473 15.158 32.015 0.50 64.71 ? 537 FUC A O5 1 HETATM 4327 C C1 . NAG J 2 . ? 126.576 32.577 9.632 1.00 73.36 ? 538 NAG A C1 1 HETATM 4328 C C2 . NAG J 2 . ? 125.624 32.717 8.422 1.00 77.61 ? 538 NAG A C2 1 HETATM 4329 C C3 . NAG J 2 . ? 126.194 33.662 7.345 1.00 78.73 ? 538 NAG A C3 1 HETATM 4330 C C4 . NAG J 2 . ? 126.594 35.000 7.995 1.00 78.82 ? 538 NAG A C4 1 HETATM 4331 C C5 . NAG J 2 . ? 127.537 34.738 9.175 1.00 78.73 ? 538 NAG A C5 1 HETATM 4332 C C6 . NAG J 2 . ? 128.116 36.039 9.771 1.00 78.66 ? 538 NAG A C6 1 HETATM 4333 C C7 . NAG J 2 . ? 123.879 31.040 7.919 1.00 77.94 ? 538 NAG A C7 1 HETATM 4334 C C8 . NAG J 2 . ? 122.837 31.987 8.463 1.00 78.43 ? 538 NAG A C8 1 HETATM 4335 N N2 . NAG J 2 . ? 125.168 31.439 7.867 1.00 76.63 ? 538 NAG A N2 1 HETATM 4336 O O3 . NAG J 2 . ? 125.228 33.886 6.334 1.00 79.33 ? 538 NAG A O3 1 HETATM 4337 O O4 . NAG J 2 . ? 127.205 35.891 7.080 1.00 80.20 ? 538 NAG A O4 1 HETATM 4338 O O5 . NAG J 2 . ? 126.876 33.889 10.125 1.00 76.40 ? 538 NAG A O5 1 HETATM 4339 O O6 . NAG J 2 . ? 127.164 36.799 10.490 1.00 79.68 ? 538 NAG A O6 1 HETATM 4340 O O7 . NAG J 2 . ? 123.504 29.927 7.540 1.00 77.83 ? 538 NAG A O7 1 HETATM 4341 C C1 . NAG K 2 . ? 142.570 36.283 47.323 1.00 66.35 ? 539 NAG A C1 1 HETATM 4342 C C2 . NAG K 2 . ? 141.659 36.118 46.083 1.00 68.39 ? 539 NAG A C2 1 HETATM 4343 C C3 . NAG K 2 . ? 141.827 37.291 45.092 1.00 70.59 ? 539 NAG A C3 1 HETATM 4344 C C4 . NAG K 2 . ? 141.735 38.655 45.818 1.00 71.90 ? 539 NAG A C4 1 HETATM 4345 C C5 . NAG K 2 . ? 142.660 38.662 47.049 1.00 71.74 ? 539 NAG A C5 1 HETATM 4346 C C6 . NAG K 2 . ? 142.629 39.979 47.836 0.50 71.55 ? 539 NAG A C6 1 HETATM 4347 C C7 . NAG K 2 . ? 140.997 33.779 45.543 1.00 62.79 ? 539 NAG A C7 1 HETATM 4348 C C8 . NAG K 2 . ? 141.312 32.660 44.595 1.00 58.62 ? 539 NAG A C8 1 HETATM 4349 N N2 . NAG K 2 . ? 141.848 34.829 45.434 1.00 63.97 ? 539 NAG A N2 1 HETATM 4350 O O3 . NAG K 2 . ? 140.855 37.227 44.054 1.00 72.56 ? 539 NAG A O3 1 HETATM 4351 O O4 . NAG K 2 . ? 142.039 39.721 44.935 0.50 71.24 ? 539 NAG A O4 1 HETATM 4352 O O5 . NAG K 2 . ? 142.296 37.564 47.895 1.00 70.42 ? 539 NAG A O5 1 HETATM 4353 O O6 . NAG K 2 . ? 143.580 39.955 48.882 0.50 71.20 ? 539 NAG A O6 1 HETATM 4354 O O7 . NAG K 2 . ? 140.014 33.671 46.315 1.00 58.26 ? 539 NAG A O7 1 HETATM 4355 C C1 . NAG L 2 . ? 108.276 -8.884 15.894 1.00 91.09 ? 540 NAG A C1 1 HETATM 4356 C C2 . NAG L 2 . ? 109.039 -10.123 15.405 1.00 94.40 ? 540 NAG A C2 1 HETATM 4357 C C3 . NAG L 2 . ? 110.183 -9.721 14.466 1.00 95.21 ? 540 NAG A C3 1 HETATM 4358 C C4 . NAG L 2 . ? 109.765 -8.690 13.409 1.00 95.44 ? 540 NAG A C4 1 HETATM 4359 C C5 . NAG L 2 . ? 108.885 -7.575 13.989 1.00 94.11 ? 540 NAG A C5 1 HETATM 4360 C C6 . NAG L 2 . ? 108.246 -6.733 12.885 1.00 94.50 ? 540 NAG A C6 1 HETATM 4361 C C7 . NAG L 2 . ? 109.148 -12.084 16.932 1.00 97.02 ? 540 NAG A C7 1 HETATM 4362 C C8 . NAG L 2 . ? 110.228 -13.018 17.423 1.00 97.35 ? 540 NAG A C8 1 HETATM 4363 N N2 . NAG L 2 . ? 109.568 -10.871 16.539 1.00 95.84 ? 540 NAG A N2 1 HETATM 4364 O O3 . NAG L 2 . ? 110.704 -10.856 13.803 1.00 96.22 ? 540 NAG A O3 1 HETATM 4365 O O4 . NAG L 2 . ? 110.934 -8.158 12.808 1.00 95.97 ? 540 NAG A O4 1 HETATM 4366 O O5 . NAG L 2 . ? 107.843 -8.139 14.769 1.00 92.98 ? 540 NAG A O5 1 HETATM 4367 O O6 . NAG L 2 . ? 109.191 -5.826 12.357 1.00 94.01 ? 540 NAG A O6 1 HETATM 4368 O O7 . NAG L 2 . ? 107.961 -12.448 16.921 1.00 96.56 ? 540 NAG A O7 1 HETATM 4369 S S . SO4 M 5 . ? 144.832 9.450 44.366 1.00 55.05 ? 601 SO4 A S 1 HETATM 4370 O O1 . SO4 M 5 . ? 145.615 9.892 43.223 1.00 55.40 ? 601 SO4 A O1 1 HETATM 4371 O O2 . SO4 M 5 . ? 143.381 9.441 44.044 1.00 52.45 ? 601 SO4 A O2 1 HETATM 4372 O O3 . SO4 M 5 . ? 145.095 10.377 45.462 1.00 56.19 ? 601 SO4 A O3 1 HETATM 4373 O O4 . SO4 M 5 . ? 145.266 8.122 44.803 1.00 53.71 ? 601 SO4 A O4 1 HETATM 4374 S S . SO4 N 5 . ? 119.585 2.929 63.885 0.50 47.09 ? 602 SO4 A S 1 HETATM 4375 O O1 . SO4 N 5 . ? 119.719 1.619 63.263 0.50 45.49 ? 602 SO4 A O1 1 HETATM 4376 O O2 . SO4 N 5 . ? 120.487 3.074 65.020 0.50 45.44 ? 602 SO4 A O2 1 HETATM 4377 O O3 . SO4 N 5 . ? 118.194 3.071 64.332 0.50 46.15 ? 602 SO4 A O3 1 HETATM 4378 O O4 . SO4 N 5 . ? 119.946 4.002 62.968 0.50 44.71 ? 602 SO4 A O4 1 HETATM 4379 S S . SO4 O 5 . ? 100.372 8.466 66.456 0.50 52.22 ? 603 SO4 A S 1 HETATM 4380 O O1 . SO4 O 5 . ? 101.756 8.072 66.165 0.50 53.80 ? 603 SO4 A O1 1 HETATM 4381 O O2 . SO4 O 5 . ? 99.522 8.170 65.304 0.50 50.23 ? 603 SO4 A O2 1 HETATM 4382 O O3 . SO4 O 5 . ? 100.337 9.883 66.821 0.50 51.12 ? 603 SO4 A O3 1 HETATM 4383 O O4 . SO4 O 5 . ? 99.911 7.716 67.621 0.50 53.63 ? 603 SO4 A O4 1 HETATM 4384 S S . SO4 P 5 . ? 123.010 21.086 60.088 0.50 47.54 ? 604 SO4 A S 1 HETATM 4385 O O1 . SO4 P 5 . ? 123.980 21.904 60.813 0.50 47.46 ? 604 SO4 A O1 1 HETATM 4386 O O2 . SO4 P 5 . ? 123.282 21.321 58.676 0.50 40.14 ? 604 SO4 A O2 1 HETATM 4387 O O3 . SO4 P 5 . ? 121.637 21.465 60.378 0.50 41.48 ? 604 SO4 A O3 1 HETATM 4388 O O4 . SO4 P 5 . ? 123.222 19.679 60.456 0.50 42.99 ? 604 SO4 A O4 1 HETATM 4389 CL CL . CL Q 6 . ? 138.770 30.160 54.774 1.00 64.28 ? 701 CL A CL 1 HETATM 4390 CL CL . CL R 6 . ? 101.424 -2.155 55.780 1.00 82.75 ? 702 CL A CL 1 HETATM 4391 C C1 . DEP S 7 . ? 116.228 14.308 42.111 1.00 34.84 ? 1001 DEP A C1 1 HETATM 4392 C C2 . DEP S 7 . ? 115.195 13.372 41.513 1.00 33.71 ? 1001 DEP A C2 1 HETATM 4393 C C3 . DEP S 7 . ? 115.256 17.555 40.499 1.00 40.90 ? 1001 DEP A C3 1 HETATM 4394 C C4 . DEP S 7 . ? 114.641 18.695 41.272 1.00 44.95 ? 1001 DEP A C4 1 HETATM 4395 O O1 . DEP S 7 . ? 116.994 14.720 41.016 1.00 37.54 ? 1001 DEP A O1 1 HETATM 4396 O O2 . DEP S 7 . ? 116.517 17.316 41.173 1.00 40.16 ? 1001 DEP A O2 1 HETATM 4397 O O3 . DEP S 7 . ? 117.904 16.177 39.309 1.00 32.05 ? 1001 DEP A O3 1 HETATM 4398 P P . DEP S 7 . ? 117.561 16.202 40.757 1.00 34.88 ? 1001 DEP A P 1 HETATM 4399 C C1 . GOL T 8 . ? 111.571 6.468 41.551 1.00 51.57 ? 605 GOL A C1 1 HETATM 4400 O O1 . GOL T 8 . ? 110.466 7.231 41.142 1.00 51.93 ? 605 GOL A O1 1 HETATM 4401 C C2 . GOL T 8 . ? 111.990 5.692 40.319 1.00 51.73 ? 605 GOL A C2 1 HETATM 4402 O O2 . GOL T 8 . ? 111.776 4.354 40.572 1.00 52.55 ? 605 GOL A O2 1 HETATM 4403 C C3 . GOL T 8 . ? 113.459 5.914 39.908 1.00 49.94 ? 605 GOL A C3 1 HETATM 4404 O O3 . GOL T 8 . ? 113.494 5.765 38.487 1.00 49.58 ? 605 GOL A O3 1 HETATM 4405 C C1 . GOL U 8 . ? 126.268 32.858 27.284 1.00 48.42 ? 606 GOL A C1 1 HETATM 4406 O O1 . GOL U 8 . ? 127.626 32.808 27.670 1.00 43.15 ? 606 GOL A O1 1 HETATM 4407 C C2 . GOL U 8 . ? 125.861 34.319 27.124 1.00 51.68 ? 606 GOL A C2 1 HETATM 4408 O O2 . GOL U 8 . ? 125.913 34.962 28.378 1.00 53.92 ? 606 GOL A O2 1 HETATM 4409 C C3 . GOL U 8 . ? 124.440 34.392 26.583 1.00 54.09 ? 606 GOL A C3 1 HETATM 4410 O O3 . GOL U 8 . ? 124.568 34.181 25.199 1.00 59.25 ? 606 GOL A O3 1 HETATM 4411 C C1 . GOL V 8 . ? 118.430 32.193 42.259 1.00 50.77 ? 607 GOL A C1 1 HETATM 4412 O O1 . GOL V 8 . ? 119.583 32.061 41.507 1.00 52.29 ? 607 GOL A O1 1 HETATM 4413 C C2 . GOL V 8 . ? 118.321 33.601 42.784 1.00 55.53 ? 607 GOL A C2 1 HETATM 4414 O O2 . GOL V 8 . ? 118.799 34.624 41.893 1.00 57.65 ? 607 GOL A O2 1 HETATM 4415 C C3 . GOL V 8 . ? 118.997 33.543 44.141 1.00 55.27 ? 607 GOL A C3 1 HETATM 4416 O O3 . GOL V 8 . ? 120.407 33.637 44.059 1.00 56.29 ? 607 GOL A O3 1 HETATM 4417 O O . HOH W 9 . ? 136.733 15.973 52.667 1.00 24.97 ? 1102 HOH A O 1 HETATM 4418 O O . HOH W 9 . ? 115.770 22.010 48.953 1.00 30.06 ? 1103 HOH A O 1 HETATM 4419 O O . HOH W 9 . ? 118.730 21.625 34.551 1.00 24.92 ? 1104 HOH A O 1 HETATM 4420 O O . HOH W 9 . ? 116.776 3.643 30.773 1.00 28.09 ? 1105 HOH A O 1 HETATM 4421 O O . HOH W 9 . ? 124.763 19.663 30.468 1.00 28.33 ? 1106 HOH A O 1 HETATM 4422 O O . HOH W 9 . ? 121.627 20.870 37.574 1.00 27.65 ? 1107 HOH A O 1 HETATM 4423 O O . HOH W 9 . ? 117.914 15.570 34.162 1.00 27.89 ? 1108 HOH A O 1 HETATM 4424 O O . HOH W 9 . ? 125.657 20.627 46.391 1.00 27.94 ? 1109 HOH A O 1 HETATM 4425 O O . HOH W 9 . ? 111.189 21.337 32.234 1.00 35.74 ? 1110 HOH A O 1 HETATM 4426 O O . HOH W 9 . ? 138.919 12.041 56.268 1.00 28.48 ? 1111 HOH A O 1 HETATM 4427 O O . HOH W 9 . ? 113.899 11.754 19.985 1.00 35.77 ? 1112 HOH A O 1 HETATM 4428 O O . HOH W 9 . ? 117.712 19.801 27.060 1.00 30.39 ? 1113 HOH A O 1 HETATM 4429 O O . HOH W 9 . ? 132.182 -0.676 36.253 1.00 38.22 ? 1114 HOH A O 1 HETATM 4430 O O . HOH W 9 . ? 121.818 6.173 51.855 1.00 32.23 ? 1115 HOH A O 1 HETATM 4431 O O . HOH W 9 . ? 125.167 7.346 54.340 1.00 33.38 ? 1116 HOH A O 1 HETATM 4432 O O . HOH W 9 . ? 122.282 21.081 44.626 1.00 24.15 ? 1117 HOH A O 1 HETATM 4433 O O . HOH W 9 . ? 136.073 14.189 26.957 1.00 30.74 ? 1118 HOH A O 1 HETATM 4434 O O . HOH W 9 . ? 123.044 11.502 46.397 1.00 33.99 ? 1119 HOH A O 1 HETATM 4435 O O . HOH W 9 . ? 113.460 2.927 17.773 1.00 46.51 ? 1120 HOH A O 1 HETATM 4436 O O . HOH W 9 . ? 122.258 29.337 48.344 1.00 44.41 ? 1121 HOH A O 1 HETATM 4437 O O . HOH W 9 . ? 125.981 25.230 30.352 1.00 32.15 ? 1122 HOH A O 1 HETATM 4438 O O . HOH W 9 . ? 122.382 17.222 16.381 1.00 34.43 ? 1123 HOH A O 1 HETATM 4439 O O . HOH W 9 . ? 113.534 3.892 32.413 1.00 39.79 ? 1124 HOH A O 1 HETATM 4440 O O . HOH W 9 . ? 118.859 17.272 55.720 1.00 32.48 ? 1125 HOH A O 1 HETATM 4441 O O . HOH W 9 . ? 113.863 14.453 25.814 1.00 34.42 ? 1126 HOH A O 1 HETATM 4442 O O . HOH W 9 . ? 136.804 21.938 63.428 1.00 37.98 ? 1127 HOH A O 1 HETATM 4443 O O . HOH W 9 . ? 123.958 28.234 30.152 1.00 30.41 ? 1128 HOH A O 1 HETATM 4444 O O . HOH W 9 . ? 138.322 23.903 61.000 1.00 38.11 ? 1129 HOH A O 1 HETATM 4445 O O . HOH W 9 . ? 117.563 4.077 42.600 1.00 45.14 ? 1130 HOH A O 1 HETATM 4446 O O . HOH W 9 . ? 130.794 30.343 34.518 1.00 32.62 ? 1131 HOH A O 1 HETATM 4447 O O . HOH W 9 . ? 103.139 17.256 55.139 1.00 42.44 ? 1132 HOH A O 1 HETATM 4448 O O . HOH W 9 . ? 111.171 24.560 38.725 1.00 38.11 ? 1133 HOH A O 1 HETATM 4449 O O . HOH W 9 . ? 131.342 13.055 56.974 1.00 30.42 ? 1134 HOH A O 1 HETATM 4450 O O . HOH W 9 . ? 140.126 9.621 50.229 1.00 36.62 ? 1135 HOH A O 1 HETATM 4451 O O . HOH W 9 . ? 111.770 22.004 56.461 1.00 38.13 ? 1136 HOH A O 1 HETATM 4452 O O . HOH W 9 . ? 126.213 37.418 52.249 1.00 47.24 ? 1137 HOH A O 1 HETATM 4453 O O . HOH W 9 . ? 119.713 24.659 24.939 1.00 31.47 ? 1138 HOH A O 1 HETATM 4454 O O . HOH W 9 . ? 147.303 29.100 27.542 1.00 51.45 ? 1139 HOH A O 1 HETATM 4455 O O . HOH W 9 . ? 112.650 9.245 46.350 1.00 39.94 ? 1140 HOH A O 1 HETATM 4456 O O . HOH W 9 . ? 122.062 28.139 41.567 1.00 29.90 ? 1141 HOH A O 1 HETATM 4457 O O . HOH W 9 . ? 118.636 24.199 17.637 1.00 43.15 ? 1142 HOH A O 1 HETATM 4458 O O . HOH W 9 . ? 136.099 27.977 49.949 1.00 47.07 ? 1143 HOH A O 1 HETATM 4459 O O . HOH W 9 . ? 122.328 -0.633 24.226 1.00 37.93 ? 1144 HOH A O 1 HETATM 4460 O O . HOH W 9 . ? 114.999 13.923 21.317 1.00 31.83 ? 1145 HOH A O 1 HETATM 4461 O O . HOH W 9 . ? 119.085 6.799 51.312 1.00 35.33 ? 1146 HOH A O 1 HETATM 4462 O O . HOH W 9 . ? 142.890 25.248 50.680 1.00 43.39 ? 1147 HOH A O 1 HETATM 4463 O O . HOH W 9 . ? 121.269 0.785 26.120 1.00 33.13 ? 1148 HOH A O 1 HETATM 4464 O O . HOH W 9 . ? 101.091 24.808 57.706 1.00 44.94 ? 1149 HOH A O 1 HETATM 4465 O O . HOH W 9 . ? 119.760 16.800 17.512 1.00 34.81 ? 1150 HOH A O 1 HETATM 4466 O O . HOH W 9 . ? 144.793 27.954 40.023 1.00 36.84 ? 1151 HOH A O 1 HETATM 4467 O O . HOH W 9 . ? 120.917 9.978 16.474 1.00 41.55 ? 1152 HOH A O 1 HETATM 4468 O O . HOH W 9 . ? 140.638 17.451 34.704 1.00 34.92 ? 1153 HOH A O 1 HETATM 4469 O O . HOH W 9 . ? 128.034 10.253 58.115 1.00 38.88 ? 1154 HOH A O 1 HETATM 4470 O O . HOH W 9 . ? 129.487 16.661 61.673 1.00 36.23 ? 1155 HOH A O 1 HETATM 4471 O O . HOH W 9 . ? 134.939 12.519 64.782 1.00 37.55 ? 1156 HOH A O 1 HETATM 4472 O O . HOH W 9 . ? 130.473 10.442 56.743 1.00 34.32 ? 1157 HOH A O 1 HETATM 4473 O O . HOH W 9 . ? 119.011 8.135 17.854 1.00 41.88 ? 1158 HOH A O 1 HETATM 4474 O O . HOH W 9 . ? 114.528 9.561 21.498 1.00 32.69 ? 1159 HOH A O 1 HETATM 4475 O O . HOH W 9 . ? 110.495 12.407 26.886 1.00 35.47 ? 1160 HOH A O 1 HETATM 4476 O O . HOH W 9 . ? 116.182 22.484 35.094 1.00 35.17 ? 1161 HOH A O 1 HETATM 4477 O O . HOH W 9 . ? 106.285 27.056 38.013 1.00 44.41 ? 1162 HOH A O 1 HETATM 4478 O O . HOH W 9 . ? 145.111 28.373 44.818 1.00 36.02 ? 1163 HOH A O 1 HETATM 4479 O O . HOH W 9 . ? 110.407 11.785 15.892 1.00 39.72 ? 1164 HOH A O 1 HETATM 4480 O O . HOH W 9 . ? 126.585 14.484 45.893 1.00 30.99 ? 1165 HOH A O 1 HETATM 4481 O O . HOH W 9 . ? 145.768 27.023 21.503 1.00 53.51 ? 1166 HOH A O 1 HETATM 4482 O O . HOH W 9 . ? 105.929 22.075 62.319 1.00 45.90 ? 1167 HOH A O 1 HETATM 4483 O O . HOH W 9 . ? 104.333 20.329 30.655 1.00 57.60 ? 1168 HOH A O 1 HETATM 4484 O O . HOH W 9 . ? 113.310 25.388 74.341 1.00 39.19 ? 1169 HOH A O 1 HETATM 4485 O O . HOH W 9 . ? 133.573 28.434 53.945 1.00 50.15 ? 1170 HOH A O 1 HETATM 4486 O O . HOH W 9 . ? 137.336 18.759 62.914 1.00 38.06 ? 1171 HOH A O 1 HETATM 4487 O O . HOH W 9 . ? 98.876 11.518 52.164 1.00 52.10 ? 1172 HOH A O 1 HETATM 4488 O O . HOH W 9 . ? 115.825 20.834 38.452 1.00 61.53 ? 1173 HOH A O 1 HETATM 4489 O O . HOH W 9 . ? 109.233 36.144 40.683 1.00 42.11 ? 1174 HOH A O 1 HETATM 4490 O O . HOH W 9 . ? 133.353 -0.027 47.825 1.00 39.44 ? 1175 HOH A O 1 HETATM 4491 O O . HOH W 9 . ? 117.305 18.531 53.999 1.00 33.53 ? 1176 HOH A O 1 HETATM 4492 O O . HOH W 9 . ? 123.014 24.891 23.000 1.00 33.76 ? 1177 HOH A O 1 HETATM 4493 O O . HOH W 9 . ? 117.796 30.472 32.533 1.00 41.14 ? 1178 HOH A O 1 HETATM 4494 O O . HOH W 9 . ? 111.076 2.493 30.521 1.00 39.07 ? 1179 HOH A O 1 HETATM 4495 O O . HOH W 9 . ? 129.008 -0.636 33.846 1.00 39.89 ? 1180 HOH A O 1 HETATM 4496 O O . HOH W 9 . ? 114.185 20.943 36.014 1.00 46.43 ? 1181 HOH A O 1 HETATM 4497 O O . HOH W 9 . ? 139.364 32.604 22.397 1.00 42.49 ? 1182 HOH A O 1 HETATM 4498 O O . HOH W 9 . ? 109.609 4.138 11.996 1.00 54.37 ? 1183 HOH A O 1 HETATM 4499 O O . HOH W 9 . ? 131.529 14.263 64.771 1.00 39.43 ? 1184 HOH A O 1 HETATM 4500 O O . HOH W 9 . ? 105.344 20.936 38.790 1.00 53.46 ? 1185 HOH A O 1 HETATM 4501 O O . HOH W 9 . ? 127.697 20.169 59.801 1.00 44.90 ? 1186 HOH A O 1 HETATM 4502 O O . HOH W 9 . ? 104.855 16.532 69.626 1.00 57.59 ? 1187 HOH A O 1 HETATM 4503 O O . HOH W 9 . ? 119.468 -2.795 26.684 1.00 43.72 ? 1188 HOH A O 1 HETATM 4504 O O . HOH W 9 . ? 96.438 6.909 34.182 1.00 61.10 ? 1189 HOH A O 1 HETATM 4505 O O . HOH W 9 . ? 121.372 32.129 22.909 1.00 42.52 ? 1190 HOH A O 1 HETATM 4506 O O . HOH W 9 . ? 113.623 15.065 23.160 1.00 35.62 ? 1191 HOH A O 1 HETATM 4507 O O . HOH W 9 . ? 110.527 17.944 17.727 1.00 41.53 ? 1192 HOH A O 1 HETATM 4508 O O . HOH W 9 . ? 109.842 34.069 36.528 1.00 44.46 ? 1193 HOH A O 1 HETATM 4509 O O . HOH W 9 . ? 118.655 32.178 36.748 1.00 48.03 ? 1194 HOH A O 1 HETATM 4510 O O . HOH W 9 . ? 118.989 33.273 39.168 1.00 47.17 ? 1195 HOH A O 1 HETATM 4511 O O . HOH W 9 . ? 109.517 15.972 16.315 1.00 47.05 ? 1196 HOH A O 1 HETATM 4512 O O . HOH W 9 . ? 141.178 34.447 20.779 1.00 64.30 ? 1197 HOH A O 1 HETATM 4513 O O . HOH W 9 . ? 146.426 22.752 33.522 1.00 49.71 ? 1198 HOH A O 1 HETATM 4514 O O . HOH W 9 . ? 146.843 20.204 34.582 1.00 48.02 ? 1199 HOH A O 1 HETATM 4515 O O . HOH W 9 . ? 126.767 -8.525 35.005 1.00 49.63 ? 1200 HOH A O 1 HETATM 4516 O O . HOH W 9 . ? 141.012 16.763 21.048 1.00 39.68 ? 1201 HOH A O 1 HETATM 4517 O O . HOH W 9 . ? 118.414 19.745 40.525 1.00 45.84 ? 1202 HOH A O 1 HETATM 4518 O O . HOH W 9 . ? 127.142 -0.364 47.013 1.00 43.63 ? 1203 HOH A O 1 HETATM 4519 O O . HOH W 9 . ? 136.397 -6.766 43.896 1.00 37.55 ? 1204 HOH A O 1 HETATM 4520 O O . HOH W 9 . ? 108.229 -1.138 52.899 1.00 48.46 ? 1205 HOH A O 1 HETATM 4521 O O . HOH W 9 . ? 119.050 15.700 59.739 1.00 43.65 ? 1206 HOH A O 1 HETATM 4522 O O . HOH W 9 . ? 140.441 -2.684 49.251 1.00 60.53 ? 1207 HOH A O 1 HETATM 4523 O O . HOH W 9 . ? 123.461 31.487 54.900 1.00 42.29 ? 1208 HOH A O 1 HETATM 4524 O O . HOH W 9 . ? 127.389 43.813 50.195 1.00 51.40 ? 1209 HOH A O 1 HETATM 4525 O O . HOH W 9 . ? 141.339 36.860 40.787 1.00 63.77 ? 1210 HOH A O 1 HETATM 4526 O O . HOH W 9 . ? 144.325 15.321 53.756 1.00 40.75 ? 1211 HOH A O 1 HETATM 4527 O O . HOH W 9 . ? 138.863 17.159 61.774 1.00 34.43 ? 1212 HOH A O 1 HETATM 4528 O O . HOH W 9 . ? 127.095 31.718 55.014 1.00 44.65 ? 1213 HOH A O 1 HETATM 4529 O O . HOH W 9 . ? 122.357 0.806 52.036 1.00 63.25 ? 1214 HOH A O 1 HETATM 4530 O O . HOH W 9 . ? 129.242 40.865 25.308 1.00 57.20 ? 1215 HOH A O 1 HETATM 4531 O O . HOH W 9 . ? 119.940 1.660 20.190 1.00 47.08 ? 1216 HOH A O 1 HETATM 4532 O O . HOH W 9 . ? 119.062 -6.097 36.903 1.00 69.59 ? 1217 HOH A O 1 HETATM 4533 O O . HOH W 9 . ? 117.432 15.413 61.885 1.00 48.55 ? 1218 HOH A O 1 HETATM 4534 O O . HOH W 9 . ? 120.610 17.741 60.039 1.00 50.16 ? 1219 HOH A O 1 HETATM 4535 O O . HOH W 9 . ? 144.508 14.599 44.995 1.00 33.79 ? 1220 HOH A O 1 HETATM 4536 O O . HOH W 9 . ? 109.820 9.008 15.822 1.00 49.50 ? 1221 HOH A O 1 HETATM 4537 O O . HOH W 9 . ? 102.122 31.615 40.804 1.00 36.32 ? 1222 HOH A O 1 HETATM 4538 O O . HOH W 9 . ? 122.241 24.324 25.267 1.00 44.22 ? 1223 HOH A O 1 HETATM 4539 O O . HOH W 9 . ? 105.884 17.356 41.266 1.00 59.56 ? 1224 HOH A O 1 HETATM 4540 O O . HOH W 9 . ? 138.044 -2.513 50.058 1.00 67.27 ? 1225 HOH A O 1 HETATM 4541 O O . HOH W 9 . ? 114.828 7.977 68.388 1.00 60.48 ? 1226 HOH A O 1 HETATM 4542 O O . HOH W 9 . ? 133.351 23.223 7.237 1.00 54.76 ? 1227 HOH A O 1 HETATM 4543 O O . HOH W 9 . ? 122.067 18.788 14.181 1.00 44.52 ? 1228 HOH A O 1 HETATM 4544 O O . HOH W 9 . ? 116.161 10.602 11.462 1.00 43.53 ? 1229 HOH A O 1 HETATM 4545 O O . HOH W 9 . ? 106.665 12.608 15.317 1.00 52.32 ? 1230 HOH A O 1 HETATM 4546 O O . HOH W 9 . ? 123.228 31.902 11.692 1.00 57.75 ? 1231 HOH A O 1 HETATM 4547 O O . HOH W 9 . ? 117.385 33.224 30.636 1.00 53.73 ? 1232 HOH A O 1 HETATM 4548 O O . HOH W 9 . ? 114.600 20.757 13.717 1.00 52.67 ? 1233 HOH A O 1 HETATM 4549 O O . HOH W 9 . ? 143.996 24.791 32.292 1.00 49.57 ? 1234 HOH A O 1 HETATM 4550 O O . HOH W 9 . ? 110.900 3.387 33.157 1.00 39.95 ? 1235 HOH A O 1 HETATM 4551 O O . HOH W 9 . ? 117.383 34.075 34.804 1.00 58.13 ? 1236 HOH A O 1 HETATM 4552 O O . HOH W 9 . ? 117.369 -1.119 29.842 1.00 39.71 ? 1237 HOH A O 1 HETATM 4553 O O . HOH W 9 . ? 129.643 6.746 22.924 1.00 48.85 ? 1238 HOH A O 1 HETATM 4554 O O . HOH W 9 . ? 142.139 12.457 21.923 1.00 53.62 ? 1239 HOH A O 1 HETATM 4555 O O . HOH W 9 . ? 136.763 4.219 27.754 1.00 51.41 ? 1240 HOH A O 1 HETATM 4556 O O . HOH W 9 . ? 124.780 3.403 49.250 1.00 51.46 ? 1241 HOH A O 1 HETATM 4557 O O . HOH W 9 . ? 148.099 24.841 35.099 1.00 47.08 ? 1242 HOH A O 1 HETATM 4558 O O . HOH W 9 . ? 123.183 1.192 45.290 1.00 52.53 ? 1243 HOH A O 1 HETATM 4559 O O . HOH W 9 . ? 134.382 -5.099 36.122 1.00 54.87 ? 1244 HOH A O 1 HETATM 4560 O O . HOH W 9 . ? 116.423 20.622 55.817 1.00 34.17 ? 1245 HOH A O 1 HETATM 4561 O O . HOH W 9 . ? 103.244 26.823 47.708 1.00 46.15 ? 1246 HOH A O 1 HETATM 4562 O O . HOH W 9 . ? 110.105 31.629 56.188 1.00 42.24 ? 1247 HOH A O 1 HETATM 4563 O O . HOH W 9 . ? 98.208 16.229 64.564 1.00 47.17 ? 1248 HOH A O 1 HETATM 4564 O O . HOH W 9 . ? 114.198 20.898 57.216 1.00 35.83 ? 1249 HOH A O 1 HETATM 4565 O O . HOH W 9 . ? 125.615 37.289 37.836 1.00 45.13 ? 1250 HOH A O 1 HETATM 4566 O O . HOH W 9 . ? 144.984 26.102 52.015 1.00 56.07 ? 1251 HOH A O 1 HETATM 4567 O O . HOH W 9 . ? 141.084 11.349 57.797 1.00 43.25 ? 1252 HOH A O 1 HETATM 4568 O O . HOH W 9 . ? 136.486 11.320 62.805 1.00 35.64 ? 1253 HOH A O 1 HETATM 4569 O O . HOH W 9 . ? 143.516 14.900 57.687 1.00 44.14 ? 1254 HOH A O 1 HETATM 4570 O O . HOH W 9 . ? 116.649 2.257 50.757 1.00 50.40 ? 1255 HOH A O 1 HETATM 4571 O O . HOH W 9 . ? 131.646 41.357 32.848 1.00 51.68 ? 1256 HOH A O 1 HETATM 4572 O O . HOH W 9 . ? 105.729 28.399 35.345 1.00 58.76 ? 1257 HOH A O 1 HETATM 4573 O O . HOH W 9 . ? 141.063 18.356 17.946 1.00 49.30 ? 1258 HOH A O 1 HETATM 4574 O O . HOH W 9 . ? 117.155 -4.291 38.211 1.00 54.89 ? 1259 HOH A O 1 HETATM 4575 O O . HOH W 9 . ? 139.136 12.458 63.089 1.00 48.70 ? 1260 HOH A O 1 HETATM 4576 O O . HOH W 9 . ? 129.267 9.344 64.789 1.00 53.91 ? 1261 HOH A O 1 HETATM 4577 O O . HOH W 9 . ? 116.139 22.748 14.151 1.00 70.54 ? 1262 HOH A O 1 HETATM 4578 O O . HOH W 9 . ? 119.983 33.838 30.441 1.00 66.48 ? 1263 HOH A O 1 HETATM 4579 O O . HOH W 9 . ? 110.429 23.251 18.085 1.00 54.06 ? 1264 HOH A O 1 HETATM 4580 O O . HOH W 9 . ? 120.983 -0.686 41.829 1.00 60.42 ? 1265 HOH A O 1 HETATM 4581 O O . HOH W 9 . ? 112.857 8.144 9.650 1.00 54.40 ? 1266 HOH A O 1 HETATM 4582 O O . HOH W 9 . ? 109.231 11.517 36.763 1.00 45.44 ? 1267 HOH A O 1 HETATM 4583 O O . HOH W 9 . ? 111.922 8.720 43.388 1.00 50.14 ? 1268 HOH A O 1 HETATM 4584 O O . HOH W 9 . ? 99.957 11.384 18.572 1.00 56.23 ? 1269 HOH A O 1 HETATM 4585 O O . HOH W 9 . ? 116.847 21.543 60.194 1.00 46.16 ? 1270 HOH A O 1 HETATM 4586 O O . HOH W 9 . ? 118.061 34.608 51.366 1.00 45.83 ? 1271 HOH A O 1 HETATM 4587 O O . HOH W 9 . ? 132.787 35.103 52.189 1.00 45.33 ? 1272 HOH A O 1 HETATM 4588 O O . HOH W 9 . ? 135.085 43.930 42.500 1.00 70.11 ? 1273 HOH A O 1 HETATM 4589 O O . HOH W 9 . ? 137.849 28.719 52.123 1.00 49.18 ? 1274 HOH A O 1 HETATM 4590 O O . HOH W 9 . ? 141.081 -0.651 39.129 1.00 57.03 ? 1275 HOH A O 1 HETATM 4591 O O . HOH W 9 . ? 152.546 13.046 26.702 1.00 67.86 ? 1276 HOH A O 1 HETATM 4592 O O . HOH W 9 . ? 143.940 20.282 16.971 1.00 62.99 ? 1277 HOH A O 1 HETATM 4593 O O . HOH W 9 . ? 114.785 12.476 66.513 1.00 61.23 ? 1278 HOH A O 1 HETATM 4594 O O . HOH W 9 . ? 125.159 1.070 18.901 1.00 59.61 ? 1279 HOH A O 1 HETATM 4595 O O . HOH W 9 . ? 145.143 31.494 18.719 1.00 60.91 ? 1280 HOH A O 1 HETATM 4596 O O . HOH W 9 . ? 123.962 -10.000 36.460 1.00 57.31 ? 1281 HOH A O 1 HETATM 4597 O O . HOH W 9 . ? 122.770 4.056 50.008 0.50 41.40 ? 1282 HOH A O 1 HETATM 4598 O O . HOH W 9 . ? 106.745 1.236 38.339 1.00 57.28 ? 1283 HOH A O 1 HETATM 4599 O O . HOH W 9 . ? 103.892 16.774 19.209 1.00 55.62 ? 1284 HOH A O 1 HETATM 4600 O O . HOH W 9 . ? 128.811 3.360 61.450 1.00 69.42 ? 1285 HOH A O 1 HETATM 4601 O O . HOH W 9 . ? 140.609 5.075 56.575 1.00 68.75 ? 1286 HOH A O 1 HETATM 4602 O O . HOH W 9 . ? 124.276 12.813 63.781 1.00 58.24 ? 1287 HOH A O 1 HETATM 4603 O O . HOH W 9 . ? 113.883 -0.847 63.539 1.00 65.28 ? 1288 HOH A O 1 HETATM 4604 O O . HOH W 9 . ? 122.565 27.121 17.534 1.00 53.55 ? 1289 HOH A O 1 HETATM 4605 O O . HOH W 9 . ? 120.095 24.842 15.795 1.00 56.70 ? 1290 HOH A O 1 HETATM 4606 O O . HOH W 9 . ? 126.061 38.283 31.728 1.00 58.78 ? 1291 HOH A O 1 HETATM 4607 O O . HOH W 9 . ? 142.177 13.052 55.857 1.00 39.81 ? 1292 HOH A O 1 HETATM 4608 O O . HOH W 9 . ? 108.238 32.807 47.785 1.00 47.90 ? 1293 HOH A O 1 HETATM 4609 O O . HOH W 9 . ? 127.220 7.399 22.650 1.00 41.88 ? 1294 HOH A O 1 HETATM 4610 O O . HOH W 9 . ? 117.628 -1.529 35.959 1.00 38.01 ? 1295 HOH A O 1 HETATM 4611 O O . HOH W 9 . ? 111.636 -6.115 23.241 1.00 57.78 ? 1296 HOH A O 1 HETATM 4612 O O . HOH W 9 . ? 102.782 10.740 46.284 1.00 57.39 ? 1297 HOH A O 1 HETATM 4613 O O . HOH W 9 . ? 102.465 20.943 48.988 1.00 45.18 ? 1298 HOH A O 1 HETATM 4614 O O . HOH W 9 . ? 102.666 8.014 57.605 1.00 52.87 ? 1299 HOH A O 1 HETATM 4615 O O . HOH W 9 . ? 117.883 4.453 52.477 1.00 41.73 ? 1300 HOH A O 1 HETATM 4616 O O . HOH W 9 . ? 119.285 5.142 48.669 1.00 47.09 ? 1301 HOH A O 1 HETATM 4617 O O . HOH W 9 . ? 113.252 0.128 52.192 1.00 58.98 ? 1302 HOH A O 1 HETATM 4618 O O . HOH W 9 . ? 118.668 29.922 35.482 1.00 43.03 ? 1303 HOH A O 1 HETATM 4619 O O . HOH W 9 . ? 111.207 10.718 49.433 1.00 57.25 ? 1304 HOH A O 1 HETATM 4620 O O . HOH W 9 . ? 109.654 7.099 47.785 1.00 52.55 ? 1305 HOH A O 1 HETATM 4621 O O . HOH W 9 . ? 140.631 2.842 36.636 1.00 41.04 ? 1306 HOH A O 1 HETATM 4622 O O . HOH W 9 . ? 104.409 32.396 33.561 1.00 49.89 ? 1307 HOH A O 1 HETATM 4623 O O . HOH W 9 . ? 116.777 22.043 40.588 1.00 51.06 ? 1308 HOH A O 1 HETATM 4624 O O . HOH W 9 . ? 113.413 24.697 43.439 1.00 47.46 ? 1309 HOH A O 1 HETATM 4625 O O . HOH W 9 . ? 108.615 26.267 20.562 1.00 36.48 ? 1310 HOH A O 1 HETATM 4626 O O . HOH W 9 . ? 108.801 17.903 42.146 1.00 58.33 ? 1311 HOH A O 1 HETATM 4627 O O . HOH W 9 . ? 111.089 19.741 41.907 1.00 59.02 ? 1312 HOH A O 1 HETATM 4628 O O . HOH W 9 . ? 114.167 22.577 41.387 1.00 68.58 ? 1313 HOH A O 1 HETATM 4629 O O . HOH W 9 . ? 111.613 24.278 41.684 1.00 49.98 ? 1314 HOH A O 1 HETATM 4630 O O . HOH W 9 . ? 127.158 8.394 56.842 1.00 54.65 ? 1315 HOH A O 1 HETATM 4631 O O . HOH W 9 . ? 129.436 8.522 59.802 1.00 40.63 ? 1316 HOH A O 1 HETATM 4632 O O . HOH W 9 . ? 129.093 13.472 63.707 1.00 43.22 ? 1317 HOH A O 1 HETATM 4633 O O . HOH W 9 . ? 125.320 16.403 61.335 1.00 56.00 ? 1318 HOH A O 1 HETATM 4634 O O . HOH W 9 . ? 144.340 30.828 44.916 1.00 35.13 ? 1319 HOH A O 1 HETATM 4635 O O . HOH W 9 . ? 147.767 30.880 51.966 1.00 46.04 ? 1320 HOH A O 1 HETATM 4636 O O . HOH W 9 . ? 108.013 7.372 40.579 1.00 54.65 ? 1321 HOH A O 1 HETATM 4637 O O . HOH W 9 . ? 106.304 20.485 27.200 1.00 38.66 ? 1322 HOH A O 1 HETATM 4638 O O . HOH W 9 . ? 98.269 23.359 58.082 1.00 66.44 ? 1323 HOH A O 1 HETATM 4639 O O . HOH W 9 . ? 96.818 -1.957 32.581 1.00 61.51 ? 1324 HOH A O 1 HETATM 4640 O O . HOH W 9 . ? 125.336 19.205 60.381 1.00 56.84 ? 1325 HOH A O 1 HETATM 4641 O O . HOH W 9 . ? 103.449 12.778 41.165 1.00 61.66 ? 1326 HOH A O 1 HETATM 4642 O O . HOH W 9 . ? 139.422 15.089 63.439 0.50 38.22 ? 1327 HOH A O 1 HETATM 4643 O O . HOH W 9 . ? 110.927 19.772 72.560 1.00 61.08 ? 1328 HOH A O 1 HETATM 4644 O O . HOH W 9 . ? 115.581 26.835 19.938 1.00 39.19 ? 1329 HOH A O 1 HETATM 4645 O O . HOH W 9 . ? 117.591 27.941 19.229 1.00 44.98 ? 1330 HOH A O 1 HETATM 4646 O O . HOH W 9 . ? 112.200 24.253 57.726 1.00 40.25 ? 1331 HOH A O 1 HETATM 4647 O O . HOH W 9 . ? 113.053 29.820 18.007 1.00 41.91 ? 1332 HOH A O 1 HETATM 4648 O O . HOH W 9 . ? 108.336 18.962 72.197 1.00 65.11 ? 1333 HOH A O 1 HETATM 4649 O O . HOH W 9 . ? 138.665 34.651 28.683 1.00 46.19 ? 1334 HOH A O 1 HETATM 4650 O O . HOH W 9 . ? 121.229 -0.712 21.583 1.00 52.66 ? 1335 HOH A O 1 HETATM 4651 O O . HOH W 9 . ? 113.821 27.652 72.973 1.00 53.46 ? 1336 HOH A O 1 HETATM 4652 O O . HOH W 9 . ? 150.136 29.026 46.326 1.00 48.80 ? 1337 HOH A O 1 HETATM 4653 O O . HOH W 9 . ? 119.083 26.614 57.050 1.00 51.24 ? 1338 HOH A O 1 HETATM 4654 O O . HOH W 9 . ? 140.428 12.803 29.896 1.00 43.19 ? 1339 HOH A O 1 HETATM 4655 O O . HOH W 9 . ? 117.324 12.465 63.428 1.00 73.69 ? 1340 HOH A O 1 HETATM 4656 O O . HOH W 9 . ? 130.449 25.749 59.307 1.00 41.37 ? 1341 HOH A O 1 HETATM 4657 O O . HOH W 9 . ? 110.153 31.263 58.512 1.00 53.03 ? 1342 HOH A O 1 HETATM 4658 O O . HOH W 9 . ? 125.878 5.837 20.816 1.00 46.64 ? 1343 HOH A O 1 HETATM 4659 O O . HOH W 9 . ? 128.237 22.884 60.014 1.00 49.82 ? 1344 HOH A O 1 HETATM 4660 O O . HOH W 9 . ? 103.705 -2.758 58.466 1.00 50.11 ? 1345 HOH A O 1 HETATM 4661 O O . HOH W 9 . ? 114.124 30.032 21.796 1.00 45.61 ? 1346 HOH A O 1 HETATM 4662 O O . HOH W 9 . ? 144.387 6.008 40.846 1.00 50.69 ? 1347 HOH A O 1 HETATM 4663 O O . HOH W 9 . ? 144.381 8.149 48.450 1.00 50.77 ? 1348 HOH A O 1 HETATM 4664 O O . HOH W 9 . ? 106.691 32.948 53.012 1.00 51.05 ? 1349 HOH A O 1 HETATM 4665 O O . HOH W 9 . ? 145.676 20.856 30.679 1.00 53.84 ? 1350 HOH A O 1 HETATM 4666 O O . HOH W 9 . ? 119.719 3.624 43.172 1.00 40.80 ? 1351 HOH A O 1 HETATM 4667 O O . HOH W 9 . ? 134.557 29.078 51.775 1.00 57.50 ? 1352 HOH A O 1 HETATM 4668 O O . HOH W 9 . ? 112.974 18.916 63.904 1.00 51.28 ? 1353 HOH A O 1 HETATM 4669 O O . HOH W 9 . ? 105.843 29.848 32.366 1.00 63.15 ? 1354 HOH A O 1 HETATM 4670 O O . HOH W 9 . ? 112.120 14.759 39.456 1.00 73.52 ? 1355 HOH A O 1 HETATM 4671 O O . HOH W 9 . ? 131.629 38.153 18.016 1.00 58.21 ? 1356 HOH A O 1 HETATM 4672 O O . HOH W 9 . ? 134.826 35.317 11.834 1.00 65.39 ? 1357 HOH A O 1 HETATM 4673 O O . HOH W 9 . ? 108.817 7.446 12.619 1.00 65.64 ? 1358 HOH A O 1 HETATM 4674 O O . HOH W 9 . ? 106.502 10.781 14.121 1.00 60.78 ? 1359 HOH A O 1 HETATM 4675 O O . HOH W 9 . ? 124.395 27.636 11.028 1.00 52.26 ? 1360 HOH A O 1 HETATM 4676 O O . HOH W 9 . ? 106.991 22.404 22.689 1.00 48.46 ? 1361 HOH A O 1 HETATM 4677 O O . HOH W 9 . ? 108.721 28.822 32.780 1.00 44.68 ? 1362 HOH A O 1 HETATM 4678 O O . HOH W 9 . ? 103.834 21.312 36.648 1.00 56.79 ? 1363 HOH A O 1 HETATM 4679 O O . HOH W 9 . ? 101.016 21.863 38.606 1.00 61.77 ? 1364 HOH A O 1 HETATM 4680 O O . HOH W 9 . ? 144.145 32.720 27.249 1.00 50.32 ? 1365 HOH A O 1 HETATM 4681 O O . HOH W 9 . ? 142.915 34.281 28.935 1.00 55.68 ? 1366 HOH A O 1 HETATM 4682 O O . HOH W 9 . ? 122.142 31.929 29.843 1.00 65.92 ? 1367 HOH A O 1 HETATM 4683 O O . HOH W 9 . ? 117.691 -1.177 41.112 1.00 65.53 ? 1368 HOH A O 1 HETATM 4684 O O . HOH W 9 . ? 102.362 0.919 14.169 1.00 57.51 ? 1369 HOH A O 1 HETATM 4685 O O . HOH W 9 . ? 137.500 -1.625 37.538 1.00 55.95 ? 1370 HOH A O 1 HETATM 4686 O O . HOH W 9 . ? 119.168 29.774 55.686 1.00 49.88 ? 1371 HOH A O 1 HETATM 4687 O O . HOH W 9 . ? 115.697 26.980 58.404 1.00 61.04 ? 1372 HOH A O 1 HETATM 4688 O O . HOH W 9 . ? 122.414 35.255 53.163 1.00 48.23 ? 1373 HOH A O 1 HETATM 4689 O O . HOH W 9 . ? 134.980 31.986 51.587 1.00 60.93 ? 1374 HOH A O 1 HETATM 4690 O O . HOH W 9 . ? 143.454 13.318 62.013 1.00 51.17 ? 1375 HOH A O 1 HETATM 4691 O O . HOH W 9 . ? 131.320 6.133 62.551 1.00 60.90 ? 1376 HOH A O 1 HETATM 4692 O O . HOH W 9 . ? 105.846 21.259 24.734 1.00 44.67 ? 1377 HOH A O 1 HETATM 4693 O O . HOH W 9 . ? 112.488 33.490 35.652 1.00 55.68 ? 1378 HOH A O 1 HETATM 4694 O O . HOH W 9 . ? 146.393 27.036 29.006 1.00 59.10 ? 1379 HOH A O 1 HETATM 4695 O O . HOH W 9 . ? 142.737 11.934 26.356 1.00 42.61 ? 1380 HOH A O 1 HETATM 4696 O O . HOH W 9 . ? 144.321 12.500 23.990 1.00 54.87 ? 1381 HOH A O 1 HETATM 4697 O O . HOH W 9 . ? 111.347 -3.139 41.148 1.00 56.17 ? 1382 HOH A O 1 HETATM 4698 O O . HOH W 9 . ? 111.083 -9.250 18.915 1.00 68.45 ? 1383 HOH A O 1 HETATM 4699 O O . HOH W 9 . ? 105.367 -9.258 14.810 1.00 73.27 ? 1384 HOH A O 1 HETATM 4700 O O . HOH W 9 . ? 99.286 16.210 21.573 1.00 65.72 ? 1385 HOH A O 1 HETATM 4701 O O . HOH W 9 . ? 133.698 -1.516 50.086 1.00 48.69 ? 1386 HOH A O 1 HETATM 4702 O O . HOH W 9 . ? 126.812 36.441 54.539 1.00 55.77 ? 1387 HOH A O 1 HETATM 4703 O O . HOH W 9 . ? 113.740 37.749 45.555 1.00 59.46 ? 1388 HOH A O 1 HETATM 4704 O O . HOH W 9 . ? 127.122 40.437 42.884 1.00 56.86 ? 1389 HOH A O 1 HETATM 4705 O O . HOH W 9 . ? 129.978 44.788 46.450 1.00 66.64 ? 1390 HOH A O 1 HETATM 4706 O O . HOH W 9 . ? 121.784 35.720 39.919 1.00 53.51 ? 1391 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 GLU 1 1 ? ? ? A . n A 1 2 ASP 2 2 ? ? ? A . n A 1 3 ASP 3 3 ? ? ? A . n A 1 4 ILE 4 4 4 ILE ILE A . n A 1 5 ILE 5 5 5 ILE ILE A . n A 1 6 ILE 6 6 6 ILE ILE A . n A 1 7 ALA 7 7 7 ALA ALA A . n A 1 8 THR 8 8 8 THR THR A . n A 1 9 LYS 9 9 9 LYS LYS A . n A 1 10 ASN 10 10 10 ASN ASN A . n A 1 11 GLY 11 11 11 GLY GLY A . n A 1 12 LYS 12 12 12 LYS LYS A . n A 1 13 VAL 13 13 13 VAL VAL A . n A 1 14 ARG 14 14 14 ARG ARG A . n A 1 15 GLY 15 15 15 GLY GLY A . n A 1 16 MET 16 16 16 MET MET A . n A 1 17 GLN 17 17 17 GLN GLN A . n A 1 18 LEU 18 18 18 LEU LEU A . n A 1 19 THR 19 19 19 THR THR A . n A 1 20 VAL 20 20 20 VAL VAL A . n A 1 21 PHE 21 21 21 PHE PHE A . n A 1 22 GLY 22 22 22 GLY GLY A . n A 1 23 GLY 23 23 23 GLY GLY A . n A 1 24 THR 24 24 24 THR THR A . n A 1 25 VAL 25 25 25 VAL VAL A . n A 1 26 THR 26 26 26 THR THR A . n A 1 27 ALA 27 27 27 ALA ALA A . n A 1 28 PHE 28 28 28 PHE PHE A . n A 1 29 LEU 29 29 29 LEU LEU A . n A 1 30 GLY 30 30 30 GLY GLY A . n A 1 31 ILE 31 31 31 ILE ILE A . n A 1 32 PRO 32 32 32 PRO PRO A . n A 1 33 TYR 33 33 33 TYR TYR A . n A 1 34 ALA 34 34 34 ALA ALA A . n A 1 35 GLN 35 35 35 GLN GLN A . n A 1 36 PRO 36 36 36 PRO PRO A . n A 1 37 PRO 37 37 37 PRO PRO A . n A 1 38 LEU 38 38 38 LEU LEU A . n A 1 39 GLY 39 39 39 GLY GLY A . n A 1 40 ARG 40 40 40 ARG ARG A . n A 1 41 LEU 41 41 41 LEU LEU A . n A 1 42 ARG 42 42 42 ARG ARG A . n A 1 43 PHE 43 43 43 PHE PHE A . n A 1 44 LYS 44 44 44 LYS LYS A . n A 1 45 LYS 45 45 45 LYS LYS A . n A 1 46 PRO 46 46 46 PRO PRO A . n A 1 47 GLN 47 47 47 GLN GLN A . n A 1 48 SER 48 48 48 SER SER A . n A 1 49 LEU 49 49 49 LEU LEU A . n A 1 50 THR 50 50 50 THR THR A . n A 1 51 LYS 51 51 51 LYS LYS A . n A 1 52 TRP 52 52 52 TRP TRP A . n A 1 53 SER 53 53 53 SER SER A . n A 1 54 ASP 54 54 54 ASP ASP A . n A 1 55 ILE 55 55 55 ILE ILE A . n A 1 56 TRP 56 56 56 TRP TRP A . n A 1 57 ASN 57 57 57 ASN ASN A . n A 1 58 ALA 58 58 58 ALA ALA A . n A 1 59 THR 59 59 59 THR THR A . n A 1 60 LYS 60 60 60 LYS LYS A . n A 1 61 TYR 61 61 61 TYR TYR A . n A 1 62 ALA 62 62 62 ALA ALA A . n A 1 63 ASN 63 63 63 ASN ASN A . n A 1 64 SER 64 64 64 SER SER A . n A 1 65 CYS 65 65 65 CYS CYS A . n A 1 66 CSS 66 66 66 CSS CSS A . n A 1 67 GLN 67 67 67 GLN GLN A . n A 1 68 ASN 68 68 68 ASN ASN A . n A 1 69 ILE 69 69 69 ILE ILE A . n A 1 70 ASP 70 70 70 ASP ASP A . n A 1 71 GLN 71 71 71 GLN GLN A . n A 1 72 SER 72 72 72 SER SER A . n A 1 73 PHE 73 73 73 PHE PHE A . n A 1 74 PRO 74 74 74 PRO PRO A . n A 1 75 GLY 75 75 75 GLY GLY A . n A 1 76 PHE 76 76 76 PHE PHE A . n A 1 77 HIS 77 77 77 HIS HIS A . n A 1 78 GLY 78 78 78 GLY GLY A . n A 1 79 SER 79 79 79 SER SER A . n A 1 80 GLU 80 80 80 GLU GLU A . n A 1 81 MET 81 81 81 MET MET A . n A 1 82 TRP 82 82 82 TRP TRP A . n A 1 83 ASN 83 83 83 ASN ASN A . n A 1 84 PRO 84 84 84 PRO PRO A . n A 1 85 ASN 85 85 85 ASN ASN A . n A 1 86 THR 86 86 86 THR THR A . n A 1 87 ASP 87 87 87 ASP ASP A . n A 1 88 LEU 88 88 88 LEU LEU A . n A 1 89 SER 89 89 89 SER SER A . n A 1 90 GLU 90 90 90 GLU GLU A . n A 1 91 ASP 91 91 91 ASP ASP A . n A 1 92 CYS 92 92 92 CYS CYS A . n A 1 93 LEU 93 93 93 LEU LEU A . n A 1 94 TYR 94 94 94 TYR TYR A . n A 1 95 LEU 95 95 95 LEU LEU A . n A 1 96 ASN 96 96 96 ASN ASN A . n A 1 97 VAL 97 97 97 VAL VAL A . n A 1 98 TRP 98 98 98 TRP TRP A . n A 1 99 ILE 99 99 99 ILE ILE A . n A 1 100 PRO 100 100 100 PRO PRO A . n A 1 101 ALA 101 101 101 ALA ALA A . n A 1 102 PRO 102 102 102 PRO PRO A . n A 1 103 LYS 103 103 103 LYS LYS A . n A 1 104 PRO 104 104 104 PRO PRO A . n A 1 105 LYS 105 105 105 LYS LYS A . n A 1 106 ASN 106 106 106 ASN ASN A . n A 1 107 ALA 107 107 107 ALA ALA A . n A 1 108 THR 108 108 108 THR THR A . n A 1 109 VAL 109 109 109 VAL VAL A . n A 1 110 LEU 110 110 110 LEU LEU A . n A 1 111 ILE 111 111 111 ILE ILE A . n A 1 112 TRP 112 112 112 TRP TRP A . n A 1 113 ILE 113 113 113 ILE ILE A . n A 1 114 TYR 114 114 114 TYR TYR A . n A 1 115 GLY 115 115 115 GLY GLY A . n A 1 116 GLY 116 116 116 GLY GLY A . n A 1 117 GLY 117 117 117 GLY GLY A . n A 1 118 PHE 118 118 118 PHE PHE A . n A 1 119 GLN 119 119 119 GLN GLN A . n A 1 120 THR 120 120 120 THR THR A . n A 1 121 GLY 121 121 121 GLY GLY A . n A 1 122 THR 122 122 122 THR THR A . n A 1 123 SER 123 123 123 SER SER A . n A 1 124 SER 124 124 124 SER SER A . n A 1 125 LEU 125 125 125 LEU LEU A . n A 1 126 HIS 126 126 126 HIS HIS A . n A 1 127 VAL 127 127 127 VAL VAL A . n A 1 128 TYR 128 128 128 TYR TYR A . n A 1 129 ASP 129 129 129 ASP ASP A . n A 1 130 GLY 130 130 130 GLY GLY A . n A 1 131 LYS 131 131 131 LYS LYS A . n A 1 132 PHE 132 132 132 PHE PHE A . n A 1 133 LEU 133 133 133 LEU LEU A . n A 1 134 ALA 134 134 134 ALA ALA A . n A 1 135 ARG 135 135 135 ARG ARG A . n A 1 136 VAL 136 136 136 VAL VAL A . n A 1 137 GLU 137 137 137 GLU GLU A . n A 1 138 ARG 138 138 138 ARG ARG A . n A 1 139 VAL 139 139 139 VAL VAL A . n A 1 140 ILE 140 140 140 ILE ILE A . n A 1 141 VAL 141 141 141 VAL VAL A . n A 1 142 VAL 142 142 142 VAL VAL A . n A 1 143 SER 143 143 143 SER SER A . n A 1 144 MET 144 144 144 MET MET A . n A 1 145 ASN 145 145 145 ASN ASN A . n A 1 146 TYR 146 146 146 TYR TYR A . n A 1 147 ARG 147 147 147 ARG ARG A . n A 1 148 VAL 148 148 148 VAL VAL A . n A 1 149 GLY 149 149 149 GLY GLY A . n A 1 150 ALA 150 150 150 ALA ALA A . n A 1 151 LEU 151 151 151 LEU LEU A . n A 1 152 GLY 152 152 152 GLY GLY A . n A 1 153 PHE 153 153 153 PHE PHE A . n A 1 154 LEU 154 154 154 LEU LEU A . n A 1 155 ALA 155 155 155 ALA ALA A . n A 1 156 LEU 156 156 156 LEU LEU A . n A 1 157 PRO 157 157 157 PRO PRO A . n A 1 158 GLY 158 158 158 GLY GLY A . n A 1 159 ASN 159 159 159 ASN ASN A . n A 1 160 PRO 160 160 160 PRO PRO A . n A 1 161 GLU 161 161 161 GLU GLU A . n A 1 162 ALA 162 162 162 ALA ALA A . n A 1 163 PRO 163 163 163 PRO PRO A . n A 1 164 GLY 164 164 164 GLY GLY A . n A 1 165 ASN 165 165 165 ASN ASN A . n A 1 166 MET 166 166 166 MET MET A . n A 1 167 GLY 167 167 167 GLY GLY A . n A 1 168 LEU 168 168 168 LEU LEU A . n A 1 169 PHE 169 169 169 PHE PHE A . n A 1 170 ASP 170 170 170 ASP ASP A . n A 1 171 GLN 171 171 171 GLN GLN A . n A 1 172 GLN 172 172 172 GLN GLN A . n A 1 173 LEU 173 173 173 LEU LEU A . n A 1 174 ALA 174 174 174 ALA ALA A . n A 1 175 LEU 175 175 175 LEU LEU A . n A 1 176 GLN 176 176 176 GLN GLN A . n A 1 177 TRP 177 177 177 TRP TRP A . n A 1 178 VAL 178 178 178 VAL VAL A . n A 1 179 GLN 179 179 179 GLN GLN A . n A 1 180 LYS 180 180 180 LYS LYS A . n A 1 181 ASN 181 181 181 ASN ASN A . n A 1 182 ILE 182 182 182 ILE ILE A . n A 1 183 ALA 183 183 183 ALA ALA A . n A 1 184 ALA 184 184 184 ALA ALA A . n A 1 185 PHE 185 185 185 PHE PHE A . n A 1 186 GLY 186 186 186 GLY GLY A . n A 1 187 GLY 187 187 187 GLY GLY A . n A 1 188 ASN 188 188 188 ASN ASN A . n A 1 189 PRO 189 189 189 PRO PRO A . n A 1 190 LYS 190 190 190 LYS LYS A . n A 1 191 SER 191 191 191 SER SER A . n A 1 192 VAL 192 192 192 VAL VAL A . n A 1 193 THR 193 193 193 THR THR A . n A 1 194 LEU 194 194 194 LEU LEU A . n A 1 195 PHE 195 195 195 PHE PHE A . n A 1 196 GLY 196 196 196 GLY GLY A . n A 1 197 GLU 197 197 197 GLU GLU A . n A 1 198 SER 198 198 198 SER SER A . n A 1 199 ALA 199 199 199 ALA ALA A . n A 1 200 GLY 200 200 200 GLY GLY A . n A 1 201 ALA 201 201 201 ALA ALA A . n A 1 202 ALA 202 202 202 ALA ALA A . n A 1 203 SER 203 203 203 SER SER A . n A 1 204 VAL 204 204 204 VAL VAL A . n A 1 205 SER 205 205 205 SER SER A . n A 1 206 LEU 206 206 206 LEU LEU A . n A 1 207 HIS 207 207 207 HIS HIS A . n A 1 208 LEU 208 208 208 LEU LEU A . n A 1 209 LEU 209 209 209 LEU LEU A . n A 1 210 SER 210 210 210 SER SER A . n A 1 211 PRO 211 211 211 PRO PRO A . n A 1 212 GLY 212 212 212 GLY GLY A . n A 1 213 SER 213 213 213 SER SER A . n A 1 214 HIS 214 214 214 HIS HIS A . n A 1 215 SER 215 215 215 SER SER A . n A 1 216 LEU 216 216 216 LEU LEU A . n A 1 217 PHE 217 217 217 PHE PHE A . n A 1 218 THR 218 218 218 THR THR A . n A 1 219 ARG 219 219 219 ARG ARG A . n A 1 220 ALA 220 220 220 ALA ALA A . n A 1 221 ILE 221 221 221 ILE ILE A . n A 1 222 LEU 222 222 222 LEU LEU A . n A 1 223 GLN 223 223 223 GLN GLN A . n A 1 224 SER 224 224 224 SER SER A . n A 1 225 GLY 225 225 225 GLY GLY A . n A 1 226 SER 226 226 226 SER SER A . n A 1 227 PHE 227 227 227 PHE PHE A . n A 1 228 ASN 228 228 228 ASN ASN A . n A 1 229 ALA 229 229 229 ALA ALA A . n A 1 230 PRO 230 230 230 PRO PRO A . n A 1 231 TRP 231 231 231 TRP TRP A . n A 1 232 ALA 232 232 232 ALA ALA A . n A 1 233 VAL 233 233 233 VAL VAL A . n A 1 234 THR 234 234 234 THR THR A . n A 1 235 SER 235 235 235 SER SER A . n A 1 236 LEU 236 236 236 LEU LEU A . n A 1 237 TYR 237 237 237 TYR TYR A . n A 1 238 GLU 238 238 238 GLU GLU A . n A 1 239 ALA 239 239 239 ALA ALA A . n A 1 240 ARG 240 240 240 ARG ARG A . n A 1 241 ASN 241 241 241 ASN ASN A . n A 1 242 ARG 242 242 242 ARG ARG A . n A 1 243 THR 243 243 243 THR THR A . n A 1 244 LEU 244 244 244 LEU LEU A . n A 1 245 ASN 245 245 245 ASN ASN A . n A 1 246 LEU 246 246 246 LEU LEU A . n A 1 247 ALA 247 247 247 ALA ALA A . n A 1 248 LYS 248 248 248 LYS LYS A . n A 1 249 LEU 249 249 249 LEU LEU A . n A 1 250 THR 250 250 250 THR THR A . n A 1 251 GLY 251 251 251 GLY GLY A . n A 1 252 CYS 252 252 252 CYS CYS A . n A 1 253 SER 253 253 253 SER SER A . n A 1 254 ARG 254 254 254 ARG ARG A . n A 1 255 GLU 255 255 255 GLU GLU A . n A 1 256 ASN 256 256 256 ASN ASN A . n A 1 257 GLU 257 257 257 GLU GLU A . n A 1 258 THR 258 258 258 THR THR A . n A 1 259 GLU 259 259 259 GLU GLU A . n A 1 260 ILE 260 260 260 ILE ILE A . n A 1 261 ILE 261 261 261 ILE ILE A . n A 1 262 LYS 262 262 262 LYS LYS A . n A 1 263 CYS 263 263 263 CYS CYS A . n A 1 264 LEU 264 264 264 LEU LEU A . n A 1 265 ARG 265 265 265 ARG ARG A . n A 1 266 ASN 266 266 266 ASN ASN A . n A 1 267 LYS 267 267 267 LYS LYS A . n A 1 268 ASP 268 268 268 ASP ASP A . n A 1 269 PRO 269 269 269 PRO PRO A . n A 1 270 GLN 270 270 270 GLN GLN A . n A 1 271 GLU 271 271 271 GLU GLU A . n A 1 272 ILE 272 272 272 ILE ILE A . n A 1 273 LEU 273 273 273 LEU LEU A . n A 1 274 LEU 274 274 274 LEU LEU A . n A 1 275 ASN 275 275 275 ASN ASN A . n A 1 276 GLU 276 276 276 GLU GLU A . n A 1 277 ALA 277 277 277 ALA ALA A . n A 1 278 PHE 278 278 278 PHE PHE A . n A 1 279 VAL 279 279 279 VAL VAL A . n A 1 280 VAL 280 280 280 VAL VAL A . n A 1 281 PRO 281 281 281 PRO PRO A . n A 1 282 TYR 282 282 282 TYR TYR A . n A 1 283 GLY 283 283 283 GLY GLY A . n A 1 284 THR 284 284 284 THR THR A . n A 1 285 PRO 285 285 285 PRO PRO A . n A 1 286 LEU 286 286 286 LEU LEU A . n A 1 287 SER 287 287 287 SER SER A . n A 1 288 VAL 288 288 288 VAL VAL A . n A 1 289 ASN 289 289 289 ASN ASN A . n A 1 290 PHE 290 290 290 PHE PHE A . n A 1 291 GLY 291 291 291 GLY GLY A . n A 1 292 PRO 292 292 292 PRO PRO A . n A 1 293 THR 293 293 293 THR THR A . n A 1 294 VAL 294 294 294 VAL VAL A . n A 1 295 ASP 295 295 295 ASP ASP A . n A 1 296 GLY 296 296 296 GLY GLY A . n A 1 297 ASP 297 297 297 ASP ASP A . n A 1 298 PHE 298 298 298 PHE PHE A . n A 1 299 LEU 299 299 299 LEU LEU A . n A 1 300 THR 300 300 300 THR THR A . n A 1 301 ASP 301 301 301 ASP ASP A . n A 1 302 MET 302 302 302 MET MET A . n A 1 303 PRO 303 303 303 PRO PRO A . n A 1 304 ASP 304 304 304 ASP ASP A . n A 1 305 ILE 305 305 305 ILE ILE A . n A 1 306 LEU 306 306 306 LEU LEU A . n A 1 307 LEU 307 307 307 LEU LEU A . n A 1 308 GLU 308 308 308 GLU GLU A . n A 1 309 LEU 309 309 309 LEU LEU A . n A 1 310 GLY 310 310 310 GLY GLY A . n A 1 311 GLN 311 311 311 GLN GLN A . n A 1 312 PHE 312 312 312 PHE PHE A . n A 1 313 LYS 313 313 313 LYS LYS A . n A 1 314 LYS 314 314 314 LYS LYS A . n A 1 315 THR 315 315 315 THR THR A . n A 1 316 GLN 316 316 316 GLN GLN A . n A 1 317 ILE 317 317 317 ILE ILE A . n A 1 318 LEU 318 318 318 LEU LEU A . n A 1 319 VAL 319 319 319 VAL VAL A . n A 1 320 GLY 320 320 320 GLY GLY A . n A 1 321 VAL 321 321 321 VAL VAL A . n A 1 322 ASN 322 322 322 ASN ASN A . n A 1 323 LYS 323 323 323 LYS LYS A . n A 1 324 ASP 324 324 324 ASP ASP A . n A 1 325 GLU 325 325 325 GLU GLU A . n A 1 326 GLY 326 326 326 GLY GLY A . n A 1 327 THR 327 327 327 THR THR A . n A 1 328 ALA 328 328 328 ALA ALA A . n A 1 329 PHE 329 329 329 PHE PHE A . n A 1 330 LEU 330 330 330 LEU LEU A . n A 1 331 VAL 331 331 331 VAL VAL A . n A 1 332 TYR 332 332 332 TYR TYR A . n A 1 333 GLY 333 333 333 GLY GLY A . n A 1 334 ALA 334 334 334 ALA ALA A . n A 1 335 PRO 335 335 335 PRO PRO A . n A 1 336 GLY 336 336 336 GLY GLY A . n A 1 337 PHE 337 337 337 PHE PHE A . n A 1 338 SER 338 338 338 SER SER A . n A 1 339 LYS 339 339 339 LYS LYS A . n A 1 340 ASP 340 340 340 ASP ASP A . n A 1 341 ASN 341 341 341 ASN ASN A . n A 1 342 ASN 342 342 342 ASN ASN A . n A 1 343 SER 343 343 343 SER SER A . n A 1 344 ILE 344 344 344 ILE ILE A . n A 1 345 ILE 345 345 345 ILE ILE A . n A 1 346 THR 346 346 346 THR THR A . n A 1 347 ARG 347 347 347 ARG ARG A . n A 1 348 LYS 348 348 348 LYS LYS A . n A 1 349 GLU 349 349 349 GLU GLU A . n A 1 350 PHE 350 350 350 PHE PHE A . n A 1 351 GLN 351 351 351 GLN GLN A . n A 1 352 GLU 352 352 352 GLU GLU A . n A 1 353 GLY 353 353 353 GLY GLY A . n A 1 354 LEU 354 354 354 LEU LEU A . n A 1 355 LYS 355 355 355 LYS LYS A . n A 1 356 ILE 356 356 356 ILE ILE A . n A 1 357 PHE 357 357 357 PHE PHE A . n A 1 358 PHE 358 358 358 PHE PHE A . n A 1 359 PRO 359 359 359 PRO PRO A . n A 1 360 GLY 360 360 360 GLY GLY A . n A 1 361 VAL 361 361 361 VAL VAL A . n A 1 362 SER 362 362 362 SER SER A . n A 1 363 GLU 363 363 363 GLU GLU A . n A 1 364 PHE 364 364 364 PHE PHE A . n A 1 365 GLY 365 365 365 GLY GLY A . n A 1 366 LYS 366 366 366 LYS LYS A . n A 1 367 GLU 367 367 367 GLU GLU A . n A 1 368 SER 368 368 368 SER SER A . n A 1 369 ILE 369 369 369 ILE ILE A . n A 1 370 LEU 370 370 370 LEU LEU A . n A 1 371 PHE 371 371 371 PHE PHE A . n A 1 372 HIS 372 372 372 HIS HIS A . n A 1 373 TYR 373 373 373 TYR TYR A . n A 1 374 THR 374 374 374 THR THR A . n A 1 375 ASP 375 375 375 ASP ASP A . n A 1 376 TRP 376 376 376 TRP TRP A . n A 1 377 VAL 377 377 377 VAL VAL A . n A 1 378 ASP 378 378 ? ? ? A . n A 1 379 ASP 379 379 ? ? ? A . n A 1 380 GLN 380 380 380 GLN GLN A . n A 1 381 ARG 381 381 381 ARG ARG A . n A 1 382 PRO 382 382 382 PRO PRO A . n A 1 383 GLU 383 383 383 GLU GLU A . n A 1 384 ASN 384 384 384 ASN ASN A . n A 1 385 TYR 385 385 385 TYR TYR A . n A 1 386 ARG 386 386 386 ARG ARG A . n A 1 387 GLU 387 387 387 GLU GLU A . n A 1 388 ALA 388 388 388 ALA ALA A . n A 1 389 LEU 389 389 389 LEU LEU A . n A 1 390 GLY 390 390 390 GLY GLY A . n A 1 391 ASP 391 391 391 ASP ASP A . n A 1 392 VAL 392 392 392 VAL VAL A . n A 1 393 VAL 393 393 393 VAL VAL A . n A 1 394 GLY 394 394 394 GLY GLY A . n A 1 395 ASP 395 395 395 ASP ASP A . n A 1 396 TYR 396 396 396 TYR TYR A . n A 1 397 ASN 397 397 397 ASN ASN A . n A 1 398 PHE 398 398 398 PHE PHE A . n A 1 399 ILE 399 399 399 ILE ILE A . n A 1 400 CYS 400 400 400 CYS CYS A . n A 1 401 PRO 401 401 401 PRO PRO A . n A 1 402 ALA 402 402 402 ALA ALA A . n A 1 403 LEU 403 403 403 LEU LEU A . n A 1 404 GLU 404 404 404 GLU GLU A . n A 1 405 PHE 405 405 405 PHE PHE A . n A 1 406 THR 406 406 406 THR THR A . n A 1 407 LYS 407 407 407 LYS LYS A . n A 1 408 LYS 408 408 408 LYS LYS A . n A 1 409 PHE 409 409 409 PHE PHE A . n A 1 410 SER 410 410 410 SER SER A . n A 1 411 GLU 411 411 411 GLU GLU A . n A 1 412 TRP 412 412 412 TRP TRP A . n A 1 413 GLY 413 413 413 GLY GLY A . n A 1 414 ASN 414 414 414 ASN ASN A . n A 1 415 ASN 415 415 415 ASN ASN A . n A 1 416 ALA 416 416 416 ALA ALA A . n A 1 417 PHE 417 417 417 PHE PHE A . n A 1 418 PHE 418 418 418 PHE PHE A . n A 1 419 TYR 419 419 419 TYR TYR A . n A 1 420 TYR 420 420 420 TYR TYR A . n A 1 421 PHE 421 421 421 PHE PHE A . n A 1 422 GLU 422 422 422 GLU GLU A . n A 1 423 HIS 423 423 423 HIS HIS A . n A 1 424 ARG 424 424 424 ARG ARG A . n A 1 425 SER 425 425 425 SER SER A . n A 1 426 SER 426 426 426 SER SER A . n A 1 427 LYS 427 427 427 LYS LYS A . n A 1 428 LEU 428 428 428 LEU LEU A . n A 1 429 PRO 429 429 429 PRO PRO A . n A 1 430 TRP 430 430 430 TRP TRP A . n A 1 431 PRO 431 431 431 PRO PRO A . n A 1 432 GLU 432 432 432 GLU GLU A . n A 1 433 TRP 433 433 433 TRP TRP A . n A 1 434 MET 434 434 434 MET MET A . n A 1 435 GLY 435 435 435 GLY GLY A . n A 1 436 VAL 436 436 436 VAL VAL A . n A 1 437 MET 437 437 437 MET MET A . n A 1 438 HIS 438 438 438 HIS HIS A . n A 1 439 GLY 439 439 439 GLY GLY A . n A 1 440 TYR 440 440 440 TYR TYR A . n A 1 441 GLU 441 441 441 GLU GLU A . n A 1 442 ILE 442 442 442 ILE ILE A . n A 1 443 GLU 443 443 443 GLU GLU A . n A 1 444 PHE 444 444 444 PHE PHE A . n A 1 445 VAL 445 445 445 VAL VAL A . n A 1 446 PHE 446 446 446 PHE PHE A . n A 1 447 GLY 447 447 447 GLY GLY A . n A 1 448 LEU 448 448 448 LEU LEU A . n A 1 449 PRO 449 449 449 PRO PRO A . n A 1 450 LEU 450 450 450 LEU LEU A . n A 1 451 GLU 451 451 451 GLU GLU A . n A 1 452 ARG 452 452 452 ARG ARG A . n A 1 453 ARG 453 453 453 ARG ARG A . n A 1 454 ASP 454 454 454 ASP ASP A . n A 1 455 GLN 455 455 455 GLN GLN A . n A 1 456 TYR 456 456 456 TYR TYR A . n A 1 457 THR 457 457 457 THR THR A . n A 1 458 LYS 458 458 458 LYS LYS A . n A 1 459 ALA 459 459 459 ALA ALA A . n A 1 460 GLU 460 460 460 GLU GLU A . n A 1 461 GLU 461 461 461 GLU GLU A . n A 1 462 ILE 462 462 462 ILE ILE A . n A 1 463 LEU 463 463 463 LEU LEU A . n A 1 464 SER 464 464 464 SER SER A . n A 1 465 ARG 465 465 465 ARG ARG A . n A 1 466 SER 466 466 466 SER SER A . n A 1 467 ILE 467 467 467 ILE ILE A . n A 1 468 VAL 468 468 468 VAL VAL A . n A 1 469 LYS 469 469 469 LYS LYS A . n A 1 470 ARG 470 470 470 ARG ARG A . n A 1 471 TRP 471 471 471 TRP TRP A . n A 1 472 ALA 472 472 472 ALA ALA A . n A 1 473 ASN 473 473 473 ASN ASN A . n A 1 474 PHE 474 474 474 PHE PHE A . n A 1 475 ALA 475 475 475 ALA ALA A . n A 1 476 LYS 476 476 476 LYS LYS A . n A 1 477 TYR 477 477 477 TYR TYR A . n A 1 478 GLY 478 478 478 GLY GLY A . n A 1 479 ASN 479 479 479 ASN ASN A . n A 1 480 PRO 480 480 480 PRO PRO A . n A 1 481 GLN 481 481 481 GLN GLN A . n A 1 482 GLU 482 482 482 GLU GLU A . n A 1 483 THR 483 483 483 THR THR A . n A 1 484 GLN 484 484 484 GLN GLN A . n A 1 485 ASN 485 485 485 ASN ASN A . n A 1 486 GLN 486 486 486 GLN GLN A . n A 1 487 SER 487 487 487 SER SER A . n A 1 488 THR 488 488 488 THR THR A . n A 1 489 SER 489 489 489 SER SER A . n A 1 490 TRP 490 490 490 TRP TRP A . n A 1 491 PRO 491 491 491 PRO PRO A . n A 1 492 VAL 492 492 492 VAL VAL A . n A 1 493 PHE 493 493 493 PHE PHE A . n A 1 494 LYS 494 494 494 LYS LYS A . n A 1 495 SER 495 495 495 SER SER A . n A 1 496 THR 496 496 496 THR THR A . n A 1 497 GLU 497 497 497 GLU GLU A . n A 1 498 GLN 498 498 498 GLN GLN A . n A 1 499 LYS 499 499 499 LYS LYS A . n A 1 500 TYR 500 500 500 TYR TYR A . n A 1 501 LEU 501 501 501 LEU LEU A . n A 1 502 THR 502 502 502 THR THR A . n A 1 503 LEU 503 503 503 LEU LEU A . n A 1 504 ASN 504 504 504 ASN ASN A . n A 1 505 THR 505 505 505 THR THR A . n A 1 506 GLU 506 506 506 GLU GLU A . n A 1 507 SER 507 507 507 SER SER A . n A 1 508 THR 508 508 508 THR THR A . n A 1 509 ARG 509 509 509 ARG ARG A . n A 1 510 ILE 510 510 510 ILE ILE A . n A 1 511 MET 511 511 511 MET MET A . n A 1 512 THR 512 512 512 THR THR A . n A 1 513 LYS 513 513 513 LYS LYS A . n A 1 514 LEU 514 514 514 LEU LEU A . n A 1 515 ARG 515 515 515 ARG ARG A . n A 1 516 ALA 516 516 516 ALA ALA A . n A 1 517 GLN 517 517 517 GLN GLN A . n A 1 518 GLN 518 518 518 GLN GLN A . n A 1 519 CYS 519 519 519 CYS CYS A . n A 1 520 ARG 520 520 520 ARG ARG A . n A 1 521 PHE 521 521 521 PHE PHE A . n A 1 522 TRP 522 522 522 TRP TRP A . n A 1 523 THR 523 523 523 THR THR A . n A 1 524 SER 524 524 524 SER SER A . n A 1 525 PHE 525 525 525 PHE PHE A . n A 1 526 PHE 526 526 526 PHE PHE A . n A 1 527 PRO 527 527 527 PRO PRO A . n A 1 528 LYS 528 528 528 LYS LYS A . n A 1 529 VAL 529 529 529 VAL VAL 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 1 530 1 NAG NAG A . C 2 NAG 2 531 2 NAG NAG A . D 3 FUL 3 532 3 FUL FUC A . E 2 NAG 1 533 1 NAG NAG A . F 2 NAG 2 534 2 NAG NAG A . G 4 FUC 3 535 3 FUC FUC A . H 2 NAG 1 536 1 NAG NAG A . I 4 FUC 2 537 2 FUC FUC A . J 2 NAG 1 538 1 NAG NAG A . K 2 NAG 1 539 1 NAG NAG A . L 2 NAG 1 540 1 NAG NAG A . M 5 SO4 1 601 601 SO4 SO4 A . N 5 SO4 1 602 602 SO4 SO4 A . O 5 SO4 1 603 603 SO4 SO4 A . P 5 SO4 1 604 604 SO4 SO4 A . Q 6 CL 1 701 701 CL CL A . R 6 CL 1 702 702 CL CL A . S 7 DEP 1 1001 1001 DEP DEP A . T 8 GOL 1 605 605 GOL GOL A . U 8 GOL 1 606 606 GOL GOL A . V 8 GOL 1 607 607 GOL GOL A . W 9 HOH 1 1102 1 HOH HOH A . W 9 HOH 2 1103 2 HOH HOH A . W 9 HOH 3 1104 3 HOH HOH A . W 9 HOH 4 1105 4 HOH HOH A . W 9 HOH 5 1106 5 HOH HOH A . W 9 HOH 6 1107 6 HOH HOH A . W 9 HOH 7 1108 7 HOH HOH A . W 9 HOH 8 1109 8 HOH HOH A . W 9 HOH 9 1110 9 HOH HOH A . W 9 HOH 10 1111 10 HOH HOH A . W 9 HOH 11 1112 11 HOH HOH A . W 9 HOH 12 1113 12 HOH HOH A . W 9 HOH 13 1114 13 HOH HOH A . W 9 HOH 14 1115 14 HOH HOH A . W 9 HOH 15 1116 15 HOH HOH A . W 9 HOH 16 1117 16 HOH HOH A . W 9 HOH 17 1118 17 HOH HOH A . W 9 HOH 18 1119 18 HOH HOH A . W 9 HOH 19 1120 19 HOH HOH A . W 9 HOH 20 1121 20 HOH HOH A . W 9 HOH 21 1122 21 HOH HOH A . W 9 HOH 22 1123 22 HOH HOH A . W 9 HOH 23 1124 23 HOH HOH A . W 9 HOH 24 1125 24 HOH HOH A . W 9 HOH 25 1126 25 HOH HOH A . W 9 HOH 26 1127 26 HOH HOH A . W 9 HOH 27 1128 27 HOH HOH A . W 9 HOH 28 1129 28 HOH HOH A . W 9 HOH 29 1130 29 HOH HOH A . W 9 HOH 30 1131 30 HOH HOH A . W 9 HOH 31 1132 31 HOH HOH A . W 9 HOH 32 1133 32 HOH HOH A . W 9 HOH 33 1134 33 HOH HOH A . W 9 HOH 34 1135 34 HOH HOH A . W 9 HOH 35 1136 35 HOH HOH A . W 9 HOH 36 1137 36 HOH HOH A . W 9 HOH 37 1138 37 HOH HOH A . W 9 HOH 38 1139 38 HOH HOH A . W 9 HOH 39 1140 39 HOH HOH A . W 9 HOH 40 1141 40 HOH HOH A . W 9 HOH 41 1142 41 HOH HOH A . W 9 HOH 42 1143 42 HOH HOH A . W 9 HOH 43 1144 43 HOH HOH A . W 9 HOH 44 1145 44 HOH HOH A . W 9 HOH 45 1146 45 HOH HOH A . W 9 HOH 46 1147 46 HOH HOH A . W 9 HOH 47 1148 47 HOH HOH A . W 9 HOH 48 1149 48 HOH HOH A . W 9 HOH 49 1150 49 HOH HOH A . W 9 HOH 50 1151 50 HOH HOH A . W 9 HOH 51 1152 51 HOH HOH A . W 9 HOH 52 1153 52 HOH HOH A . W 9 HOH 53 1154 53 HOH HOH A . W 9 HOH 54 1155 54 HOH HOH A . W 9 HOH 55 1156 55 HOH HOH A . W 9 HOH 56 1157 56 HOH HOH A . W 9 HOH 57 1158 57 HOH HOH A . W 9 HOH 58 1159 58 HOH HOH A . W 9 HOH 59 1160 59 HOH HOH A . W 9 HOH 60 1161 60 HOH HOH A . W 9 HOH 61 1162 61 HOH HOH A . W 9 HOH 62 1163 62 HOH HOH A . W 9 HOH 63 1164 63 HOH HOH A . W 9 HOH 64 1165 64 HOH HOH A . W 9 HOH 65 1166 65 HOH HOH A . W 9 HOH 66 1167 66 HOH HOH A . W 9 HOH 67 1168 67 HOH HOH A . W 9 HOH 68 1169 68 HOH HOH A . W 9 HOH 69 1170 69 HOH HOH A . W 9 HOH 70 1171 70 HOH HOH A . W 9 HOH 71 1172 71 HOH HOH A . W 9 HOH 72 1173 72 HOH HOH A . W 9 HOH 73 1174 73 HOH HOH A . W 9 HOH 74 1175 74 HOH HOH A . W 9 HOH 75 1176 75 HOH HOH A . W 9 HOH 76 1177 76 HOH HOH A . W 9 HOH 77 1178 77 HOH HOH A . W 9 HOH 78 1179 78 HOH HOH A . W 9 HOH 79 1180 79 HOH HOH A . W 9 HOH 80 1181 80 HOH HOH A . W 9 HOH 81 1182 81 HOH HOH A . W 9 HOH 82 1183 82 HOH HOH A . W 9 HOH 83 1184 83 HOH HOH A . W 9 HOH 84 1185 84 HOH HOH A . W 9 HOH 85 1186 85 HOH HOH A . W 9 HOH 86 1187 86 HOH HOH A . W 9 HOH 87 1188 87 HOH HOH A . W 9 HOH 88 1189 88 HOH HOH A . W 9 HOH 89 1190 89 HOH HOH A . W 9 HOH 90 1191 90 HOH HOH A . W 9 HOH 91 1192 91 HOH HOH A . W 9 HOH 92 1193 92 HOH HOH A . W 9 HOH 93 1194 93 HOH HOH A . W 9 HOH 94 1195 94 HOH HOH A . W 9 HOH 95 1196 95 HOH HOH A . W 9 HOH 96 1197 96 HOH HOH A . W 9 HOH 97 1198 97 HOH HOH A . W 9 HOH 98 1199 98 HOH HOH A . W 9 HOH 99 1200 99 HOH HOH A . W 9 HOH 100 1201 100 HOH HOH A . W 9 HOH 101 1202 101 HOH HOH A . W 9 HOH 102 1203 102 HOH HOH A . W 9 HOH 103 1204 103 HOH HOH A . W 9 HOH 104 1205 104 HOH HOH A . W 9 HOH 105 1206 105 HOH HOH A . W 9 HOH 106 1207 106 HOH HOH A . W 9 HOH 107 1208 107 HOH HOH A . W 9 HOH 108 1209 108 HOH HOH A . W 9 HOH 109 1210 109 HOH HOH A . W 9 HOH 110 1211 110 HOH HOH A . W 9 HOH 111 1212 111 HOH HOH A . W 9 HOH 112 1213 112 HOH HOH A . W 9 HOH 113 1214 113 HOH HOH A . W 9 HOH 114 1215 114 HOH HOH A . W 9 HOH 115 1216 115 HOH HOH A . W 9 HOH 116 1217 116 HOH HOH A . W 9 HOH 117 1218 117 HOH HOH A . W 9 HOH 118 1219 118 HOH HOH A . W 9 HOH 119 1220 119 HOH HOH A . W 9 HOH 120 1221 120 HOH HOH A . W 9 HOH 121 1222 121 HOH HOH A . W 9 HOH 122 1223 122 HOH HOH A . W 9 HOH 123 1224 123 HOH HOH A . W 9 HOH 124 1225 124 HOH HOH A . W 9 HOH 125 1226 125 HOH HOH A . W 9 HOH 126 1227 126 HOH HOH A . W 9 HOH 127 1228 127 HOH HOH A . W 9 HOH 128 1229 128 HOH HOH A . W 9 HOH 129 1230 129 HOH HOH A . W 9 HOH 130 1231 130 HOH HOH A . W 9 HOH 131 1232 131 HOH HOH A . W 9 HOH 132 1233 132 HOH HOH A . W 9 HOH 133 1234 133 HOH HOH A . W 9 HOH 134 1235 134 HOH HOH A . W 9 HOH 135 1236 135 HOH HOH A . W 9 HOH 136 1237 136 HOH HOH A . W 9 HOH 137 1238 137 HOH HOH A . W 9 HOH 138 1239 138 HOH HOH A . W 9 HOH 139 1240 139 HOH HOH A . W 9 HOH 140 1241 140 HOH HOH A . W 9 HOH 141 1242 141 HOH HOH A . W 9 HOH 142 1243 142 HOH HOH A . W 9 HOH 143 1244 143 HOH HOH A . W 9 HOH 144 1245 144 HOH HOH A . W 9 HOH 145 1246 145 HOH HOH A . W 9 HOH 146 1247 146 HOH HOH A . W 9 HOH 147 1248 147 HOH HOH A . W 9 HOH 148 1249 148 HOH HOH A . W 9 HOH 149 1250 149 HOH HOH A . W 9 HOH 150 1251 150 HOH HOH A . W 9 HOH 151 1252 151 HOH HOH A . W 9 HOH 152 1253 152 HOH HOH A . W 9 HOH 153 1254 153 HOH HOH A . W 9 HOH 154 1255 154 HOH HOH A . W 9 HOH 155 1256 155 HOH HOH A . W 9 HOH 156 1257 156 HOH HOH A . W 9 HOH 157 1258 157 HOH HOH A . W 9 HOH 158 1259 158 HOH HOH A . W 9 HOH 159 1260 159 HOH HOH A . W 9 HOH 160 1261 160 HOH HOH A . W 9 HOH 161 1262 161 HOH HOH A . W 9 HOH 162 1263 162 HOH HOH A . W 9 HOH 163 1264 163 HOH HOH A . W 9 HOH 164 1265 164 HOH HOH A . W 9 HOH 165 1266 165 HOH HOH A . W 9 HOH 166 1267 166 HOH HOH A . W 9 HOH 167 1268 167 HOH HOH A . W 9 HOH 168 1269 168 HOH HOH A . W 9 HOH 169 1270 169 HOH HOH A . W 9 HOH 170 1271 170 HOH HOH A . W 9 HOH 171 1272 171 HOH HOH A . W 9 HOH 172 1273 172 HOH HOH A . W 9 HOH 173 1274 173 HOH HOH A . W 9 HOH 174 1275 174 HOH HOH A . W 9 HOH 175 1276 175 HOH HOH A . W 9 HOH 176 1277 176 HOH HOH A . W 9 HOH 177 1278 177 HOH HOH A . W 9 HOH 178 1279 178 HOH HOH A . W 9 HOH 179 1280 179 HOH HOH A . W 9 HOH 180 1281 180 HOH HOH A . W 9 HOH 181 1282 181 HOH HOH A . W 9 HOH 182 1283 182 HOH HOH A . W 9 HOH 183 1284 183 HOH HOH A . W 9 HOH 184 1285 184 HOH HOH A . W 9 HOH 185 1286 185 HOH HOH A . W 9 HOH 186 1287 186 HOH HOH A . W 9 HOH 187 1288 187 HOH HOH A . W 9 HOH 188 1289 188 HOH HOH A . W 9 HOH 189 1290 189 HOH HOH A . W 9 HOH 190 1291 190 HOH HOH A . W 9 HOH 191 1292 191 HOH HOH A . W 9 HOH 192 1293 192 HOH HOH A . W 9 HOH 193 1294 193 HOH HOH A . W 9 HOH 194 1295 194 HOH HOH A . W 9 HOH 195 1296 195 HOH HOH A . W 9 HOH 196 1297 196 HOH HOH A . W 9 HOH 197 1298 197 HOH HOH A . W 9 HOH 198 1299 198 HOH HOH A . W 9 HOH 199 1300 199 HOH HOH A . W 9 HOH 200 1301 200 HOH HOH A . W 9 HOH 201 1302 201 HOH HOH A . W 9 HOH 202 1303 202 HOH HOH A . W 9 HOH 203 1304 203 HOH HOH A . W 9 HOH 204 1305 204 HOH HOH A . W 9 HOH 205 1306 205 HOH HOH A . W 9 HOH 206 1307 206 HOH HOH A . W 9 HOH 207 1308 207 HOH HOH A . W 9 HOH 208 1309 208 HOH HOH A . W 9 HOH 209 1310 209 HOH HOH A . W 9 HOH 210 1311 210 HOH HOH A . W 9 HOH 211 1312 211 HOH HOH A . W 9 HOH 212 1313 212 HOH HOH A . W 9 HOH 213 1314 213 HOH HOH A . W 9 HOH 214 1315 214 HOH HOH A . W 9 HOH 215 1316 215 HOH HOH A . W 9 HOH 216 1317 216 HOH HOH A . W 9 HOH 217 1318 217 HOH HOH A . W 9 HOH 218 1319 218 HOH HOH A . W 9 HOH 219 1320 219 HOH HOH A . W 9 HOH 220 1321 220 HOH HOH A . W 9 HOH 221 1322 221 HOH HOH A . W 9 HOH 222 1323 222 HOH HOH A . W 9 HOH 223 1324 223 HOH HOH A . W 9 HOH 224 1325 224 HOH HOH A . W 9 HOH 225 1326 225 HOH HOH A . W 9 HOH 226 1327 226 HOH HOH A . W 9 HOH 227 1328 227 HOH HOH A . W 9 HOH 228 1329 228 HOH HOH A . W 9 HOH 229 1330 229 HOH HOH A . W 9 HOH 230 1331 230 HOH HOH A . W 9 HOH 231 1332 231 HOH HOH A . W 9 HOH 232 1333 232 HOH HOH A . W 9 HOH 233 1334 233 HOH HOH A . W 9 HOH 234 1335 234 HOH HOH A . W 9 HOH 235 1336 235 HOH HOH A . W 9 HOH 236 1337 236 HOH HOH A . W 9 HOH 237 1338 237 HOH HOH A . W 9 HOH 238 1339 238 HOH HOH A . W 9 HOH 239 1340 239 HOH HOH A . W 9 HOH 240 1341 240 HOH HOH A . W 9 HOH 241 1342 241 HOH HOH A . W 9 HOH 242 1343 242 HOH HOH A . W 9 HOH 243 1344 243 HOH HOH A . W 9 HOH 244 1345 244 HOH HOH A . W 9 HOH 245 1346 245 HOH HOH A . W 9 HOH 246 1347 246 HOH HOH A . W 9 HOH 247 1348 247 HOH HOH A . W 9 HOH 248 1349 248 HOH HOH A . W 9 HOH 249 1350 249 HOH HOH A . W 9 HOH 250 1351 250 HOH HOH A . W 9 HOH 251 1352 251 HOH HOH A . W 9 HOH 252 1353 252 HOH HOH A . W 9 HOH 253 1354 253 HOH HOH A . W 9 HOH 254 1355 254 HOH HOH A . W 9 HOH 255 1356 255 HOH HOH A . W 9 HOH 256 1357 256 HOH HOH A . W 9 HOH 257 1358 257 HOH HOH A . W 9 HOH 258 1359 258 HOH HOH A . W 9 HOH 259 1360 259 HOH HOH A . W 9 HOH 260 1361 260 HOH HOH A . W 9 HOH 261 1362 261 HOH HOH A . W 9 HOH 262 1363 262 HOH HOH A . W 9 HOH 263 1364 263 HOH HOH A . W 9 HOH 264 1365 264 HOH HOH A . W 9 HOH 265 1366 265 HOH HOH A . W 9 HOH 266 1367 266 HOH HOH A . W 9 HOH 267 1368 267 HOH HOH A . W 9 HOH 268 1369 268 HOH HOH A . W 9 HOH 269 1370 269 HOH HOH A . W 9 HOH 270 1371 270 HOH HOH A . W 9 HOH 271 1372 271 HOH HOH A . W 9 HOH 272 1373 272 HOH HOH A . W 9 HOH 273 1374 273 HOH HOH A . W 9 HOH 274 1375 274 HOH HOH A . W 9 HOH 275 1376 275 HOH HOH A . W 9 HOH 276 1377 276 HOH HOH A . W 9 HOH 277 1378 277 HOH HOH A . W 9 HOH 278 1379 278 HOH HOH A . W 9 HOH 279 1380 279 HOH HOH A . W 9 HOH 280 1381 280 HOH HOH A . W 9 HOH 281 1382 281 HOH HOH A . W 9 HOH 282 1383 282 HOH HOH A . W 9 HOH 283 1384 283 HOH HOH A . W 9 HOH 284 1385 284 HOH HOH A . W 9 HOH 285 1386 285 HOH HOH A . W 9 HOH 286 1387 286 HOH HOH A . W 9 HOH 287 1388 287 HOH HOH A . W 9 HOH 288 1389 288 HOH HOH A . W 9 HOH 289 1390 289 HOH HOH A . W 9 HOH 290 1391 290 HOH HOH A . # loop_ _pdbx_struct_mod_residue.id _pdbx_struct_mod_residue.label_asym_id _pdbx_struct_mod_residue.label_comp_id _pdbx_struct_mod_residue.label_seq_id _pdbx_struct_mod_residue.auth_asym_id _pdbx_struct_mod_residue.auth_comp_id _pdbx_struct_mod_residue.auth_seq_id _pdbx_struct_mod_residue.PDB_ins_code _pdbx_struct_mod_residue.parent_comp_id _pdbx_struct_mod_residue.details 1 A ASN 57 A ASN 57 ? ASN 'GLYCOSYLATION SITE' 2 A ASN 106 A ASN 106 ? ASN 'GLYCOSYLATION SITE' 3 A ASN 241 A ASN 241 ? ASN 'GLYCOSYLATION SITE' 4 A ASN 256 A ASN 256 ? ASN 'GLYCOSYLATION SITE' 5 A ASN 341 A ASN 341 ? ASN 'GLYCOSYLATION SITE' 6 A ASN 485 A ASN 485 ? ASN 'GLYCOSYLATION SITE' 7 A CSS 66 A CSS 66 ? CYS S-MERCAPTOCYSTEINE # loop_ _pdbx_struct_assembly.id _pdbx_struct_assembly.details _pdbx_struct_assembly.method_details _pdbx_struct_assembly.oligomeric_details _pdbx_struct_assembly.oligomeric_count 1 software_defined_assembly PISA dimeric 2 2 author_defined_assembly ? monomeric 1 # loop_ _pdbx_struct_assembly_gen.assembly_id _pdbx_struct_assembly_gen.oper_expression _pdbx_struct_assembly_gen.asym_id_list 1 1,2 A,B,C,D,E,F,G,H,I,J,K,L,M,N,O,P,Q,R,S,T,U,V,W 2 1 A,B,C,D,E,F,G,H,I,J,K,L,M,N,O,P,Q,R,S,T,U,V,W # 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)' 11120 ? 1 MORE -45 ? 1 'SSA (A^2)' 41790 ? # loop_ _pdbx_struct_oper_list.id _pdbx_struct_oper_list.type _pdbx_struct_oper_list.name _pdbx_struct_oper_list.symmetry_operation _pdbx_struct_oper_list.matrix[1][1] _pdbx_struct_oper_list.matrix[1][2] _pdbx_struct_oper_list.matrix[1][3] _pdbx_struct_oper_list.vector[1] _pdbx_struct_oper_list.matrix[2][1] _pdbx_struct_oper_list.matrix[2][2] _pdbx_struct_oper_list.matrix[2][3] _pdbx_struct_oper_list.vector[2] _pdbx_struct_oper_list.matrix[3][1] _pdbx_struct_oper_list.matrix[3][2] _pdbx_struct_oper_list.matrix[3][3] _pdbx_struct_oper_list.vector[3] 1 'identity operation' 1_555 x,y,z 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 2 'crystal symmetry operation' 6_556 x,-y,-z+1 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -1.0000000000 127.0110000000 # _pdbx_struct_special_symmetry.id 1 _pdbx_struct_special_symmetry.PDB_model_num 1 _pdbx_struct_special_symmetry.auth_asym_id A _pdbx_struct_special_symmetry.auth_comp_id HOH _pdbx_struct_special_symmetry.auth_seq_id 1327 _pdbx_struct_special_symmetry.PDB_ins_code ? _pdbx_struct_special_symmetry.label_asym_id W _pdbx_struct_special_symmetry.label_comp_id HOH _pdbx_struct_special_symmetry.label_seq_id . # loop_ _pdbx_audit_revision_history.ordinal _pdbx_audit_revision_history.data_content_type _pdbx_audit_revision_history.major_revision _pdbx_audit_revision_history.minor_revision _pdbx_audit_revision_history.revision_date 1 'Structure model' 1 0 2005-02-01 2 'Structure model' 1 1 2008-04-30 3 'Structure model' 1 2 2011-07-13 4 'Structure model' 1 3 2017-10-11 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # loop_ _pdbx_audit_revision_group.ordinal _pdbx_audit_revision_group.revision_ordinal _pdbx_audit_revision_group.data_content_type _pdbx_audit_revision_group.group 1 2 'Structure model' 'Version format compliance' 2 3 'Structure model' 'Non-polymer description' 3 3 'Structure model' 'Version format compliance' 4 4 'Structure model' 'Refinement description' # _pdbx_audit_revision_category.ordinal 1 _pdbx_audit_revision_category.revision_ordinal 4 _pdbx_audit_revision_category.data_content_type 'Structure model' _pdbx_audit_revision_category.category software # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal SCALEPACK 'data scaling' . ? 1 AMoRE phasing . ? 2 REFMAC refinement 5.2 ? 3 # 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 NH2 A ARG 138 ? A O A HOH 1365 ? ? 1.73 2 1 NH1 A ARG 138 ? B O A HOH 1366 ? ? 1.89 3 1 OH A TYR 420 ? ? O2 A SO4 604 ? ? 2.08 4 1 O4 A SO4 604 ? ? O A HOH 1325 ? ? 2.17 5 1 O A HOH 1230 ? ? O A HOH 1359 ? ? 2.19 # 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 O A HOH 1288 ? ? 1_555 O A HOH 1288 ? ? 6_556 1.70 2 1 O A HOH 1354 ? ? 1_555 O A HOH 1354 ? ? 15_545 2.14 # _pdbx_validate_rmsd_bond.id 1 _pdbx_validate_rmsd_bond.PDB_model_num 1 _pdbx_validate_rmsd_bond.auth_atom_id_1 CB _pdbx_validate_rmsd_bond.auth_asym_id_1 A _pdbx_validate_rmsd_bond.auth_comp_id_1 TRP _pdbx_validate_rmsd_bond.auth_seq_id_1 471 _pdbx_validate_rmsd_bond.PDB_ins_code_1 ? _pdbx_validate_rmsd_bond.label_alt_id_1 ? _pdbx_validate_rmsd_bond.auth_atom_id_2 CG _pdbx_validate_rmsd_bond.auth_asym_id_2 A _pdbx_validate_rmsd_bond.auth_comp_id_2 TRP _pdbx_validate_rmsd_bond.auth_seq_id_2 471 _pdbx_validate_rmsd_bond.PDB_ins_code_2 ? _pdbx_validate_rmsd_bond.label_alt_id_2 ? _pdbx_validate_rmsd_bond.bond_value 1.613 _pdbx_validate_rmsd_bond.bond_target_value 1.498 _pdbx_validate_rmsd_bond.bond_deviation 0.115 _pdbx_validate_rmsd_bond.bond_standard_deviation 0.018 _pdbx_validate_rmsd_bond.linker_flag N # loop_ _pdbx_validate_rmsd_angle.id _pdbx_validate_rmsd_angle.PDB_model_num _pdbx_validate_rmsd_angle.auth_atom_id_1 _pdbx_validate_rmsd_angle.auth_asym_id_1 _pdbx_validate_rmsd_angle.auth_comp_id_1 _pdbx_validate_rmsd_angle.auth_seq_id_1 _pdbx_validate_rmsd_angle.PDB_ins_code_1 _pdbx_validate_rmsd_angle.label_alt_id_1 _pdbx_validate_rmsd_angle.auth_atom_id_2 _pdbx_validate_rmsd_angle.auth_asym_id_2 _pdbx_validate_rmsd_angle.auth_comp_id_2 _pdbx_validate_rmsd_angle.auth_seq_id_2 _pdbx_validate_rmsd_angle.PDB_ins_code_2 _pdbx_validate_rmsd_angle.label_alt_id_2 _pdbx_validate_rmsd_angle.auth_atom_id_3 _pdbx_validate_rmsd_angle.auth_asym_id_3 _pdbx_validate_rmsd_angle.auth_comp_id_3 _pdbx_validate_rmsd_angle.auth_seq_id_3 _pdbx_validate_rmsd_angle.PDB_ins_code_3 _pdbx_validate_rmsd_angle.label_alt_id_3 _pdbx_validate_rmsd_angle.angle_value _pdbx_validate_rmsd_angle.angle_target_value _pdbx_validate_rmsd_angle.angle_deviation _pdbx_validate_rmsd_angle.angle_standard_deviation _pdbx_validate_rmsd_angle.linker_flag 1 1 CB A ASP 70 ? ? CG A ASP 70 ? ? OD2 A ASP 70 ? ? 123.89 118.30 5.59 0.90 N 2 1 CB A ASP 268 ? ? CG A ASP 268 ? ? OD2 A ASP 268 ? ? 124.94 118.30 6.64 0.90 N 3 1 CB A ASP 295 ? ? CG A ASP 295 ? ? OD2 A ASP 295 ? ? 124.23 118.30 5.93 0.90 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 ASP A 54 ? ? 68.54 -176.12 2 1 ASN A 106 ? ? -156.62 60.05 3 1 ALA A 162 ? ? -157.03 69.72 4 1 SER A 198 ? ? 51.75 -112.60 5 1 ASP A 297 ? ? -137.04 -73.14 6 1 PHE A 398 ? ? -127.81 -52.94 7 1 ASN A 485 ? ? -108.65 44.94 # loop_ _pdbx_validate_chiral.id _pdbx_validate_chiral.PDB_model_num _pdbx_validate_chiral.auth_atom_id _pdbx_validate_chiral.label_alt_id _pdbx_validate_chiral.auth_asym_id _pdbx_validate_chiral.auth_comp_id _pdbx_validate_chiral.auth_seq_id _pdbx_validate_chiral.PDB_ins_code _pdbx_validate_chiral.details _pdbx_validate_chiral.omega 1 1 C1 ? A FUC 535 ? 'WRONG HAND' . 2 1 C1 ? A FUC 537 ? 'WRONG HAND' . # loop_ _pdbx_unobs_or_zero_occ_residues.id _pdbx_unobs_or_zero_occ_residues.PDB_model_num _pdbx_unobs_or_zero_occ_residues.polymer_flag _pdbx_unobs_or_zero_occ_residues.occupancy_flag _pdbx_unobs_or_zero_occ_residues.auth_asym_id _pdbx_unobs_or_zero_occ_residues.auth_comp_id _pdbx_unobs_or_zero_occ_residues.auth_seq_id _pdbx_unobs_or_zero_occ_residues.PDB_ins_code _pdbx_unobs_or_zero_occ_residues.label_asym_id _pdbx_unobs_or_zero_occ_residues.label_comp_id _pdbx_unobs_or_zero_occ_residues.label_seq_id 1 1 Y 1 A GLU 1 ? A GLU 1 2 1 Y 1 A ASP 2 ? A ASP 2 3 1 Y 1 A ASP 3 ? A ASP 3 4 1 Y 1 A ASP 378 ? A ASP 378 5 1 Y 1 A ASP 379 ? A ASP 379 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 N-ACETYL-D-GLUCOSAMINE NAG 3 BETA-L-FUCOSE FUL 4 ALPHA-L-FUCOSE FUC 5 'SULFATE ION' SO4 6 'CHLORIDE ION' CL 7 'DIETHYL PHOSPHONATE' DEP 8 GLYCEROL GOL 9 water HOH #